*HEADER    TRANSPORT PROTEIN                       29-SEP-09   2KOQ              
*TITLE     NMR SOLUTION STRUCTURES OF 3-HYDROXYOCTANOYL-ACP FROM STREPTOMYCES    
*TITLE    2 COELICOLOR FATTY ACID SYNTHASE                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACYL CARRIER PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 GENE: ACPP, SCO2389, SC4A7.17;                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: SC-APOFAS-PET21                           
*KEYWDS    ACYL CARRIER PROTEIN, INTERMEDIATE BINDING, FATTY ACID SYNTHASE,      
*KEYWDS   2 FATTY ACID BIOSYNTHESIS, LIPID SYNTHESIS, PHOSPHOPANTETHEINE,        
*KEYWDS   3 TRANSPORT PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.PLOSKON, C.J.ARTHUR, A.J.KANARI, M.P.CRUMP                          
*REVDAT   1   18-AUG-10 2KOQ    0                                                


 ASSI {    2}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 1    and name HB% )
      2.200     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.81121E-02 ppm1      4.017 ppm2      1.506 CV     1
 OR {    2}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {    4}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      4.200     2.200     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.81836E-03 ppm1      4.017 ppm2      7.670 CV     1
 OR {    4}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 OR {    4}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI {    5}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HE21))
      3.800     1.800     1.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.30531E-02 ppm1      1.495 ppm2      7.680 CV     1
 OR {    5}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HE22))
 OR {    5}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 79   and name HN  ))
 ASSI {   10}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      6.000     5.700     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.63763E-04 ppm1      1.493 ppm2      4.401 CV     1
 OR {   10}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HA  ))
 ASSI {   11}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      3.200     3.200     2.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.34920E-03 ppm1      1.507 ppm2      3.799 CV     1
 OR {   11}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 59   and name HD2 ))
 OR {   11}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 59   and name HD1 ))
 ASSI {   22}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 45   and name HB1 ))
      3.700     1.700     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.15603E-02 ppm1      1.496 ppm2      2.316 CV     1
 OR {   22}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
 OR {   22}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {   26}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 18   and name HD1%)
      2.400     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.71915E-02 ppm1      1.505 ppm2      0.739 CV     1
 OR {   26}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {   32}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HE22))
      2.700     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.25247E-02 ppm1      1.547 ppm2      7.676 CV     1
 OR {   32}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HE21))
 OR {   32}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
 ASSI {   39}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      5.800     4.300     0.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.11601E-03 ppm1      1.547 ppm2      4.419 CV     1
 OR {   39}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HA  ))
 ASSI {   43}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HG2 ))
      3.900     1.900     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.80455E-03 ppm1      1.548 ppm2      2.365 CV     1
 OR {   43}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
 OR {   43}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   45}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      1.549 ppm2      2.098 CV     1
 OR {   45}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB2 ))
 OR {   45}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   46}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HD1%)
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.47689E-02 ppm1      1.550 ppm2      0.514 CV     1
 OR {   46}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 OR {   46}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   50}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.400     1.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.56265E-03 ppm1      4.418 ppm2      7.673 CV     1
 OR {   50}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 OR {   50}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {   60}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      4.500     2.500     1.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.92300E-03 ppm1      1.340 ppm2      7.684 CV     1
 OR {   60}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 ASSI {   65}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
      4.100     2.100     1.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.13459E-02 ppm1      1.341 ppm2      2.466 CV     1
 OR {   65}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {   67}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
      4.200     2.200     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      1.342 ppm2      2.100 CV     1
 OR {   67}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {   67}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   70}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak    70 spectrum    1 weight  0.10000E+01 volume  0.19351E-02 ppm1      3.681 ppm2      8.382 CV     1
 OR {   70}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {   71}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.800     2.900     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.44536E-03 ppm1      3.680 ppm2      7.692 CV     1
 OR {   71}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 OR {   71}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 OR {   71}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {   74}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.25624E-02 ppm1      3.673 ppm2      3.916 CV     1
 OR {   74}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
 OR {   74}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {   77}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      5.700     4.100     0.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.25773E-03 ppm1      2.019 ppm2      4.421 CV     1
 OR {   77}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {   80}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.32533E-02 ppm1      3.681 ppm2      1.761 CV     1
 OR {   80}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {   80}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {   83}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      3.100     1.200     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.41377E-02 ppm1      3.681 ppm2      0.808 CV     1
 OR {   83}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {   83}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {   86}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.700     1.800     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.22922E-02 ppm1      2.157 ppm2      0.806 CV     1
 OR {   86}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR {   86}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 21   and name HD1%)
 OR {   86}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR {   86}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {   95}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 7    and name HN  ))
      5.500     3.800     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.34060E-03 ppm1      2.212 ppm2      8.382 CV     1
 OR {   95}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  100}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      4.800     2.900     1.200 peak   100 spectrum    1 weight  0.10000E+01 volume  0.54832E-03 ppm1      2.206 ppm2      3.912 CV     1
 OR {  100}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  100}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  100}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  101}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      4.300     2.300     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.52035E-03 ppm1      2.131 ppm2      3.909 CV     1
 OR {  101}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  101}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR {  101}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  116}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.200     1.200 peak   116 spectrum    1 weight  0.10000E+01 volume  0.18094E-02 ppm1      3.912 ppm2      7.700 CV     1
 OR {  116}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  118}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.23295E-02 ppm1      3.912 ppm2      8.376 CV     1
 OR {  118}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  124}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 3    and name HB  ))
      5.600     3.900     0.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.19631E-03 ppm1      2.062 ppm2      4.703 CV     1
 OR {  124}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 3    and name HB  ))
 ASSI {  128}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HG1 ))
      3.100     1.200     1.200 peak   128 spectrum    1 weight  0.10000E+01 volume  0.37238E-02 ppm1      2.064 ppm2      2.479 CV     1
 OR {  128}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {  132}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      5.600     3.900     0.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.55586E-04 ppm1      3.681 ppm2      1.522 CV     1
 OR {  132}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  133}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      4.400     2.500     1.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.76035E-03 ppm1      2.076 ppm2      1.041 CV     1
 OR {  133}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  134}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      4.100     2.100     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.58745E-03 ppm1      3.912 ppm2      1.485 CV     1
 OR {  134}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  137}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      5.900     4.400     0.100 peak   137 spectrum    1 weight  0.10000E+01 volume  0.13487E-03 ppm1      2.290 ppm2      8.390 CV     1
 OR {  137}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  138}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.36097E-02 ppm1      2.468 ppm2      7.698 CV     1
 OR {  138}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  139}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.39660E-02 ppm1      2.094 ppm2      7.709 CV     1
 OR {  139}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 OR {  139}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  145}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.100     2.100     1.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.14694E-02 ppm1      2.090 ppm2      8.550 CV     1
 OR {  145}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  149}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 3    and name HB  ))
      4.700     2.700     1.300 peak   149 spectrum    1 weight  0.10000E+01 volume  0.54431E-03 ppm1      2.093 ppm2      4.687 CV     1
 OR {  149}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  152}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.22006E-03 ppm1      2.091 ppm2      0.528 CV     1
 OR {  152}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  152}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 40   and name H8% )
 OR {  152}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  152}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  153}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      5.200     3.400     0.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.28968E-03 ppm1      2.088 ppm2      0.597 CV     1
 OR {  153}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 46   and name HG1%)
 OR {  153}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 40   and name H8% )
 OR {  153}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H6B ))
 OR {  153}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  153}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 40   and name H8% )
 OR {  153}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  155}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
      3.000     1.100     1.100 peak   155 spectrum    1 weight  0.10000E+01 volume  0.26062E-02 ppm1      2.474 ppm2      1.547 CV     1
 OR {  155}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 2    and name HB% )
 OR {  155}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 58   and name HG11))
 OR {  155}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 9    and name HB% )
 ASSI {  156}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 9    and name HB% )
      3.700     1.800     1.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.26344E-02 ppm1      2.089 ppm2      1.547 CV     1
 OR {  156}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HG11))
 OR {  156}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
 OR {  156}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 58   and name HG11))
 ASSI {  157}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.46030E-03 ppm1      2.466 ppm2      4.693 CV     1
 OR {  157}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 3    and name HB  ))
 ASSI {  162}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.500     2.600     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.47291E-03 ppm1      2.097 ppm2      7.856 CV     1
 OR {  162}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  169}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.700     2.800     1.300 peak   169 spectrum    1 weight  0.10000E+01 volume  0.35149E-03 ppm1      2.364 ppm2      4.791 CV     1
 OR {  169}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  169}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
 OR {  169}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  172}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.100     2.100     1.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.78971E-03 ppm1      3.866 ppm2      9.226 CV     1
 OR {  172}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  175}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      5.600     3.900     0.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.26290E-03 ppm1      3.872 ppm2      8.525 CV     1
 OR {  175}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 OR {  175}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  177}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.66198E-03 ppm1      3.865 ppm2      7.703 CV     1
 OR {  177}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 OR {  177}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
 OR {  177}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {  179}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      5.000     3.100     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25068E-03 ppm1      1.759 ppm2      9.226 CV     1
 OR {  179}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  180}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 80   and name HE22))
      4.100     2.100     1.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.52456E-03 ppm1      1.754 ppm2      7.693 CV     1
 OR {  180}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 80   and name HE21))
 OR {  180}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
 OR {  180}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
 OR {  180}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 80   and name HE22))
 OR {  180}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {  181}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 54   and name HE% )
      4.900     3.000     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.27353E-03 ppm1      1.758 ppm2      7.107 CV     1
 OR {  181}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 54   and name HE% )
 ASSI {  183}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      1.760 ppm2      3.874 CV     1
 OR {  183}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HA  ))
 OR {  183}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
 OR {  183}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  184}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      2.200     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.38402E-02 ppm1      1.758 ppm2      3.678 CV     1
 OR {  184}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
 OR {  184}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  185}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      2.800     1.000     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.23408E-02 ppm1      3.865 ppm2      1.764 CV     1
 OR {  185}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  187}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.700     2.800     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.54745E-03 ppm1      3.866 ppm2      2.099 CV     1
 OR {  187}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  187}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  187}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  188}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      4.600     2.600     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.52633E-03 ppm1      3.867 ppm2      1.984 CV     1
 OR {  188}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
 OR {  188}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 OR {  188}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  190}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      5.300     3.500     0.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.38241E-03 ppm1      3.865 ppm2      1.080 CV     1
 OR {  190}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  191}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     5.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.87304E-04 ppm1      3.866 ppm2      0.847 CV     1
 OR {  191}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  191}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  191}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  191}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  192}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.200     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.76307E-02 ppm1      3.866 ppm2      0.530 CV     1
 OR {  192}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  192}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  193}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      2.700     0.900     0.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.42218E-02 ppm1      3.866 ppm2      1.527 CV     1
 OR {  193}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  193}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
 ASSI {  196}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.59556E-03 ppm1      0.529 ppm2      9.229 CV     1
 OR {  196}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  197}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.11135E-02 ppm1      0.532 ppm2      8.523 CV     1
 OR {  197}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  199}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      4.300     2.300     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.31270E-03 ppm1      0.532 ppm2      7.705 CV     1
 OR {  199}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 80   and name HE21))
 OR {  199}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
 OR {  199}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  202}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 54   and name HD% )
      5.300     3.600     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.18485E-03 ppm1      1.762 ppm2      7.450 CV     1
 OR {  202}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  206}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.94185E-03 ppm1      0.532 ppm2      4.194 CV     1
 OR {  206}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  208}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      1.900     0.400     0.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.75663E-02 ppm1      0.531 ppm2      3.664 CV     1
 OR {  208}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  209}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.83327E-03 ppm1      0.532 ppm2      3.377 CV     1
 OR {  209}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  210}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      3.300     1.300     1.300 peak   210 spectrum    1 weight  0.10000E+01 volume  0.24818E-02 ppm1      0.531 ppm2      1.980 CV     1
 OR {  210}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 OR {  210}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
 OR {  210}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  211}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
      4.700     2.800     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.60197E-03 ppm1      0.531 ppm2      2.117 CV     1
 OR {  211}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 OR {  211}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
 OR {  211}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  212}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      3.200     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.34040E-02 ppm1      0.530 ppm2      1.530 CV     1
 OR {  212}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 2    and name HB% )
 OR {  212}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI {  213}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      1.900     0.400     0.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.93532E-02 ppm1      0.531 ppm2      1.764 CV     1
 OR {  213}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  217}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.700     2.700     1.300 peak   217 spectrum    1 weight  0.10000E+01 volume  0.35844E-03 ppm1      1.758 ppm2      2.146 CV     1
 OR {  217}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  217}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {  217}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  218}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.33170E-02 ppm1      1.757 ppm2      1.989 CV     1
 OR {  218}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HB  ))
 OR {  218}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 11   and name HG  ))
 OR {  218}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {  218}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  219}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
      3.000     1.100     1.100 peak   219 spectrum    1 weight  0.10000E+01 volume  0.18094E-02 ppm1      1.758 ppm2      0.906 CV     1
 OR {  219}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  220}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.22430E-02 ppm1      1.754 ppm2      1.089 CV     1
 OR {  220}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  221}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HG12))
      3.800     1.800     1.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.42069E-03 ppm1      1.757 ppm2      0.193 CV     1
 OR {  221}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 7    and name HG12))
 ASSI {  222}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.800     2.900     1.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.23837E-03 ppm1      1.757 ppm2      2.360 CV     1
 OR {  222}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 80   and name HB1 ))
 OR {  222}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  224}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
      4.400     2.500     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.12645E-03 ppm1      0.503 ppm2      8.849 CV     1
 OR {  224}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  225}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.400     1.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.16197E-02 ppm1      0.501 ppm2      8.513 CV     1
 OR {  225}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
 OR {  225}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  227}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HE21))
      2.900     1.000     1.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.15356E-02 ppm1      0.502 ppm2      7.677 CV     1
 OR {  227}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HE22))
 OR {  227}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  230}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      4.600     2.600     1.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.32643E-03 ppm1      0.502 ppm2      4.405 CV     1
 OR {  230}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
 OR {  230}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  231}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.28437E-02 ppm1      0.501 ppm2      3.682 CV     1
 OR {  231}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  233}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HG1 ))
      5.400     3.600     0.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.19935E-03 ppm1      0.500 ppm2      2.694 CV     1
 OR {  233}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  234}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HB1 ))
      4.600     2.700     1.400 peak   234 spectrum    1 weight  0.10000E+01 volume  0.11872E-03 ppm1      0.508 ppm2      2.503 CV     1
 OR {  234}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 78   and name HB1 ))
 OR {  234}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  235}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      5.300     3.500     0.700 peak   235 spectrum    1 weight  0.10000E+01 volume  0.37426E-03 ppm1      0.497 ppm2      2.000 CV     1
 OR {  235}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HG11))
 OR {  235}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HB  ))
 OR {  235}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  237}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.58877E-02 ppm1      0.501 ppm2      1.758 CV     1
 OR {  237}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HB  ))
 OR {  237}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  238}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 2    and name HB% )
      2.100     0.500     0.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.72268E-02 ppm1      0.502 ppm2      1.539 CV     1
 OR {  238}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HG11))
 ASSI {  244}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 3    and name HN  ))
      4.100     2.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.29291E-03 ppm1      1.508 ppm2      8.539 CV     1
 OR {  244}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  246}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.400     1.600 peak   246 spectrum    1 weight  0.10000E+01 volume  0.53694E-03 ppm1      1.515 ppm2      7.682 CV     1
 OR {  246}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 80   and name HE22))
 OR {  246}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 80   and name HE21))
 OR {  246}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  247}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 80   and name HE22))
      3.600     1.600     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.27847E-03 ppm1      0.187 ppm2      7.676 CV     1
 OR {  247}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 80   and name HE21))
 OR {  247}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  251}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 3    and name HN  ))
      5.600     3.900     0.400 peak   251 spectrum    1 weight  0.10000E+01 volume  0.15044E-03 ppm1      0.198 ppm2      8.537 CV     1
 OR {  251}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  252}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 4    and name HA  ))
      3.800     1.800     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.40139E-03 ppm1      1.516 ppm2      3.682 CV     1
 OR {  252}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  257}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 77   and name HD1%)
      4.800     2.800     1.200 peak   257 spectrum    1 weight  0.10000E+01 volume  0.62900E-03 ppm1      0.188 ppm2      0.819 CV     1
 OR {  257}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 77   and name HD2%)
 OR {  257}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 11   and name HD1%)
 OR {  257}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  258}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 4    and name HG2 ))
      5.700     4.000     0.300 peak   258 spectrum    1 weight  0.10000E+01 volume  0.21468E-03 ppm1      0.190 ppm2      2.120 CV     1
 OR {  258}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  258}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  259}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 7    and name HB  ))
      3.100     1.200     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.15494E-02 ppm1      0.185 ppm2      1.764 CV     1
 OR {  259}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 76   and name HB  ))
 OR {  259}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  267}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.800     1.800     1.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.14451E-02 ppm1      3.367 ppm2      4.003 CV     1
 OR {  267}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  267}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 70   and name HA1 ))
 ASSI {  268}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.80297E-03 ppm1      3.369 ppm2      4.204 CV     1
 OR {  268}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  268}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  272}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 59   and name HD1 ))
      4.800     2.900     1.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.25361E-03 ppm1      1.988 ppm2      3.787 CV     1
 OR {  272}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  272}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 70   and name HA2 ))
 ASSI {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
      4.800     2.900     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.24962E-03 ppm1      3.364 ppm2      2.247 CV     1
 OR {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 OR {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
 OR {  273}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI {  275}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      4.400     2.400     1.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.51088E-03 ppm1      3.369 ppm2      1.734 CV     1
 OR {  275}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  275}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  276}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      5.100     3.300     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.69005E-03 ppm1      3.369 ppm2      1.514 CV     1
 OR {  276}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
 OR {  276}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  278}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      4.000     2.000     2.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.14699E-02 ppm1      3.369 ppm2      0.632 CV     1
 OR {  278}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 OR {  278}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 OR {  278}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  278}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  278}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI {  279}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.12682E-02 ppm1      3.368 ppm2      0.533 CV     1
 OR {  279}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  279}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  280}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      2.100     0.500     0.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.91362E-02 ppm1      3.368 ppm2      0.876 CV     1
 OR {  280}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  280}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  285}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      5.400     3.600     0.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.33494E-03 ppm1      1.026 ppm2      8.513 CV     1
 OR {  285}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  288}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.900     3.000     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.46716E-03 ppm1      1.022 ppm2      9.229 CV     1
 OR {  288}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  289}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.700     1.700     1.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.56853E-03 ppm1      0.884 ppm2      9.225 CV     1
 OR {  289}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  290}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.900     1.900     1.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.97063E-03 ppm1      0.882 ppm2      8.898 CV     1
 OR {  290}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  292}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      4.500     2.500     1.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.63004E-03 ppm1      1.022 ppm2      7.506 CV     1
 OR {  292}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
 OR {  292}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  297}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 27   and name HA  ))
      3.700     1.700     1.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.76258E-03 ppm1      0.882 ppm2      4.613 CV     1
 OR {  297}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 OR {  297}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 62   and name HA  ))
 OR {  297}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  298}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H3A ))
      3.600     1.600     1.600 peak   298 spectrum    1 weight  0.10000E+01 volume  0.14925E-02 ppm1      0.878 ppm2      3.912 CV     1
 OR {  298}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
 OR {  298}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  302}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.24164E-02 ppm1      1.022 ppm2      3.666 CV     1
 OR {  302}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  305}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HG1 ))
      3.600     3.600     2.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.32423E-03 ppm1      1.026 ppm2      2.482 CV     1
 OR {  305}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
 OR {  305}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 78   and name HB1 ))
 OR {  305}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  307}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HG  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.39958E-02 ppm1      1.023 ppm2      1.748 CV     1
 OR {  307}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  307}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  308}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      4.400     2.400     1.600 peak   308 spectrum    1 weight  0.10000E+01 volume  0.14192E-02 ppm1      1.027 ppm2      1.502 CV     1
 OR {  308}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 9    and name HB% )
 ASSI {  322}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HA2 ))
      3.600     1.700     1.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.72856E-03 ppm1      1.498 ppm2      3.875 CV     1
 OR {  322}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  323}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.700     2.700     1.300 peak   323 spectrum    1 weight  0.10000E+01 volume  0.34224E-03 ppm1      4.207 ppm2      3.376 CV     1
 OR {  323}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  324}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 8    and name HB  ))
      3.800     1.800     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.13925E-02 ppm1      1.496 ppm2      2.000 CV     1
 OR {  324}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HG  ))
 OR {  324}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 14   and name HG11))
 ASSI {  326}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 6    and name HB1 ))
      2.900     2.900     3.100 peak   326 spectrum    1 weight  0.10000E+01 volume  0.57484E-03 ppm1      1.494 ppm2      2.435 CV     1
 OR {  326}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {  327}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 6    and name HG1 ))
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.82357E-03 ppm1      1.493 ppm2      2.316 CV     1
 OR {  327}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 OR {  327}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 13   and name HB1 ))
 OR {  327}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  328}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.700     0.900     0.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.36491E-02 ppm1      4.219 ppm2      2.108 CV     1
 OR {  328}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR {  328}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  329}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      3.000     1.200     1.200 peak   329 spectrum    1 weight  0.10000E+01 volume  0.37659E-02 ppm1      4.218 ppm2      2.037 CV     1
 OR {  329}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
 OR {  329}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  330}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
      3.900     1.900     1.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.90732E-03 ppm1      4.216 ppm2      2.250 CV     1
 OR {  330}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  330}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
 OR {  330}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR {  330}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  330}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
 OR {  330}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
 OR {  330}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  331}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.100     2.200     1.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.91517E-03 ppm1      4.220 ppm2      2.435 CV     1
 OR {  331}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  333}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
      3.100     1.200     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.28455E-02 ppm1      4.218 ppm2      0.988 CV     1
 OR {  333}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  333}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 OR {  333}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  335}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      4.100     2.100     1.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10329E-02 ppm1      4.217 ppm2      0.729 CV     1
 OR {  335}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR {  335}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  356}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.200     2.200     1.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.58347E-03 ppm1      4.041 ppm2      4.209 CV     1
 OR {  356}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  357}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.400     1.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.40100E-03 ppm1      3.855 ppm2      4.210 CV     1
 OR {  357}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  360}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HD2 ))
      4.700     2.800     1.300 peak   360 spectrum    1 weight  0.10000E+01 volume  0.36197E-03 ppm1      4.045 ppm2      2.682 CV     1
 OR {  360}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  362}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HD2 ))
      4.700     2.700     1.300 peak   362 spectrum    1 weight  0.10000E+01 volume  0.27232E-03 ppm1      3.860 ppm2      2.679 CV     1
 OR {  362}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  366}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 9    and name HB% )
      4.100     2.100     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.91977E-03 ppm1      4.048 ppm2      1.506 CV     1
 OR {  366}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 50   and name HB% )
 OR {  366}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  367}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 9    and name HB% )
      3.900     1.900     1.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.75282E-03 ppm1      3.856 ppm2      1.505 CV     1
 OR {  367}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 50   and name HB% )
 OR {  367}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  370}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 7    and name HG2%)
      4.800     2.900     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.35308E-03 ppm1      4.047 ppm2      0.536 CV     1
 OR {  370}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  370}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  371}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.600     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.20846E-03 ppm1      3.853 ppm2      0.539 CV     1
 OR {  371}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  371}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  372}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HG  ))
      4.200     2.200     1.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.53888E-03 ppm1      3.855 ppm2      1.972 CV     1
 OR {  372}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HG11))
 ASSI {  373}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HG11))
      4.600     2.700     1.400 peak   373 spectrum    1 weight  0.10000E+01 volume  0.37901E-03 ppm1      4.049 ppm2      1.969 CV     1
 OR {  373}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  381}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.600     1.600 peak   381 spectrum    1 weight  0.10000E+01 volume  0.10445E-02 ppm1      4.231 ppm2      8.779 CV     1
 OR {  381}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  386}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak   386 spectrum    1 weight  0.10000E+01 volume  0.21976E-02 ppm1      4.233 ppm2      8.185 CV     1
 OR {  386}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  387}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.48155E-03 ppm1      4.231 ppm2      7.940 CV     1
 OR {  387}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 OR {  387}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 OR {  387}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  388}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
      5.400     3.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.22619E-03 ppm1      2.090 ppm2      7.120 CV     1
 OR {  388}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 54   and name HE% )
 ASSI {  392}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      4.300     2.400     1.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.27817E-03 ppm1      4.231 ppm2      7.122 CV     1
 OR {  392}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
 ASSI {  393}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      4.300     2.300     1.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.43828E-03 ppm1      4.236 ppm2      6.997 CV     1
 OR {  393}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  394}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.600     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.21520E-02 ppm1      2.101 ppm2      3.376 CV     1
 OR {  394}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  395}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak   395 spectrum    1 weight  0.10000E+01 volume  0.15469E-02 ppm1      1.255 ppm2      3.375 CV     1
 OR {  395}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  397}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG  ))
      2.900     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.21774E-02 ppm1      2.102 ppm2      1.965 CV     1
 OR {  397}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  398}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
      2.700     0.900     0.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      1.251 ppm2      1.966 CV     1
 OR {  398}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI {  399}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      3.100     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.18562E-02 ppm1      4.232 ppm2      1.962 CV     1
 OR {  399}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
 OR {  399}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  400}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      3.600     1.700     1.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.23692E-02 ppm1      4.231 ppm2      1.044 CV     1
 OR {  400}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  400}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  401}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
      2.200     0.600     0.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.11680E-01 ppm1      4.233 ppm2      0.861 CV     1
 OR {  401}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
 OR {  401}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  402}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.400     0.700     0.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.51670E-02 ppm1      4.232 ppm2      0.718 CV     1
 OR {  402}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  402}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  404}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD1%)
      2.200     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.86977E-02 ppm1      1.256 ppm2      0.850 CV     1
 OR {  404}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  404}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  405}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD2%)
      2.300     0.700     0.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.55896E-02 ppm1      2.102 ppm2      0.855 CV     1
 OR {  405}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  405}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  412}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.600     1.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.40989E-03 ppm1      1.966 ppm2      3.376 CV     1
 OR {  412}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  413}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 10   and name HA2 ))
      4.800     2.900     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.56527E-03 ppm1      1.967 ppm2      3.865 CV     1
 OR {  413}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  414}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak   414 spectrum    1 weight  0.10000E+01 volume  0.14536E-02 ppm1      1.966 ppm2      0.539 CV     1
 OR {  414}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  414}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  420}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 50   and name HN  ))
      4.200     2.300     1.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.52161E-03 ppm1      0.853 ppm2      8.802 CV     1
 OR {  420}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
 OR {  420}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  423}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
      2.800     1.000     1.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.26142E-02 ppm1      0.853 ppm2      7.110 CV     1
 OR {  423}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  424}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 54   and name HD% )
      3.900     1.900     1.900 peak   424 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      0.853 ppm2      7.461 CV     1
 OR {  424}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  428}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      4.700     2.800     1.300 peak   428 spectrum    1 weight  0.10000E+01 volume  0.48074E-03 ppm1      0.830 ppm2      8.378 CV     1
 OR {  428}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
 OR {  428}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 10   and name HN  ))
 OR {  428}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 71   and name HN  ))
 OR {  428}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  429}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.96300E-03 ppm1      0.838 ppm2      8.213 CV     1
 OR {  429}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  430}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      5.400     3.600     0.600 peak   430 spectrum    1 weight  0.10000E+01 volume  0.32617E-03 ppm1      0.857 ppm2      8.189 CV     1
 OR {  430}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
 OR {  430}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  435}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
      4.700     2.700     1.300 peak   435 spectrum    1 weight  0.10000E+01 volume  0.57759E-03 ppm1      0.852 ppm2      3.384 CV     1
 OR {  435}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 OR {  435}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  437}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 10   and name HA2 ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.31898E-02 ppm1      0.840 ppm2      3.895 CV     1
 OR {  437}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  437}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
 OR {  437}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 OR {  437}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HA2 ))
 ASSI {  438}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.27994E-02 ppm1      0.831 ppm2      3.660 CV     1
 OR {  438}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  439}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.29549E-02 ppm1      0.831 ppm2      3.376 CV     1
 OR {  439}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  440}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
      1.800     0.400     0.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.18098E-01 ppm1      0.832 ppm2      1.973 CV     1
 OR {  440}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 14   and name HG11))
 OR {  440}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 8    and name HB  ))
 OR {  440}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
 ASSI {  441}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.34535E-02 ppm1      0.851 ppm2      2.099 CV     1
 OR {  441}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  442}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
      2.000     0.500     0.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.10183E-01 ppm1      0.852 ppm2      1.966 CV     1
 OR {  442}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HG  ))
 OR {  442}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 76   and name HG11))
 ASSI {  443}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
      4.100     2.100     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      0.857 ppm2      2.241 CV     1
 OR {  443}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 66   and name HB1 ))
 OR {  443}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 69   and name HB  ))
 OR {  443}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
 OR {  443}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  446}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 50   and name HB% )
      2.600     0.800     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.50522E-02 ppm1      0.851 ppm2      1.472 CV     1
 OR {  446}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 OR {  446}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 7    and name HG11))
 ASSI {  458}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.35738E-03 ppm1      4.038 ppm2      8.188 CV     1
 OR {  458}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  462}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.40866E-03 ppm1      1.658 ppm2      7.718 CV     1
 OR {  462}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  466}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.54884E-03 ppm1      4.035 ppm2      3.588 CV     1
 OR {  466}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  468}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HG1 ))
      5.200     3.400     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.53907E-03 ppm1      1.657 ppm2      2.599 CV     1
 OR {  468}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  469}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 26   and name HB  ))
      2.300     0.700     0.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.63718E-02 ppm1      1.664 ppm2      2.324 CV     1
 OR {  469}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HB1 ))
 OR {  469}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  470}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 23   and name HB  ))
      3.500     1.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.26350E-02 ppm1      1.663 ppm2      2.027 CV     1
 OR {  470}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 8    and name HB  ))
 OR {  470}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 24   and name HB1 ))
 OR {  470}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  472}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.100     2.100     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.41283E-03 ppm1      4.033 ppm2      1.291 CV     1
 OR {  472}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {  472}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 OR {  472}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  474}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.000     0.500     0.500 peak   474 spectrum    1 weight  0.10000E+01 volume  0.78903E-02 ppm1      4.035 ppm2      0.913 CV     1
 OR {  474}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  476}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 23   and name HG1%)
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.88665E-02 ppm1      1.664 ppm2      0.941 CV     1
 OR {  476}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  476}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 23   and name HG2%)
 ASSI {  477}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.700     0.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.37293E-02 ppm1      4.035 ppm2      2.249 CV     1
 OR {  477}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  477}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  477}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
 OR {  477}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  478}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.100     2.100     1.900 peak   478 spectrum    1 weight  0.10000E+01 volume  0.49982E-03 ppm1      4.030 ppm2      2.089 CV     1
 OR {  478}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  482}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.29147E-02 ppm1      3.917 ppm2      8.196 CV     1
 OR {  482}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  483}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   483 spectrum    1 weight  0.10000E+01 volume  0.17567E-02 ppm1      3.923 ppm2      8.679 CV     1
 OR {  483}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  484}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.20902E-02 ppm1      2.283 ppm2      8.187 CV     1
 OR {  484}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  485}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.21236E-02 ppm1      2.205 ppm2      8.187 CV     1
 OR {  485}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  489}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      5.500     3.700     0.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.23956E-03 ppm1      2.205 ppm2      4.237 CV     1
 OR {  489}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  489}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  489}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  490}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.000     1.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.22773E-02 ppm1      3.925 ppm2      3.094 CV     1
 OR {  490}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  491}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      5.000     3.200     1.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.21940E-03 ppm1      2.210 ppm2      3.103 CV     1
 OR {  491}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  492}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      4.900     2.900     1.100 peak   492 spectrum    1 weight  0.10000E+01 volume  0.30598E-03 ppm1      2.288 ppm2      3.087 CV     1
 OR {  492}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.47867E-02 ppm1      3.925 ppm2      2.736 CV     1
 OR {  495}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  500}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.700     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.18498E-03 ppm1      2.592 ppm2      8.376 CV     1
 OR {  500}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  504}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak   504 spectrum    1 weight  0.10000E+01 volume  0.10463E-02 ppm1      2.284 ppm2      8.184 CV     1
 OR {  504}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  510}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 23   and name HG1%)
      4.400     2.400     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      2.584 ppm2      0.976 CV     1
 OR {  510}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  510}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  511}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 18   and name HG2%)
      3.400     1.400     1.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.32079E-02 ppm1      2.270 ppm2      0.958 CV     1
 OR {  511}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  511}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  511}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  511}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  511}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  511}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 48   and name HG1%)
 ASSI {  523}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      5.500     3.800     0.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.19970E-03 ppm1      2.725 ppm2      8.190 CV     1
 OR {  523}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  528}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      4.300     2.400     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.21501E-03 ppm1      4.654 ppm2      8.436 CV     1
 OR {  528}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  533}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.66583E-03 ppm1      2.723 ppm2      3.596 CV     1
 OR {  533}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  534}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      4.100     2.100     1.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.96995E-03 ppm1      3.088 ppm2      3.594 CV     1
 OR {  534}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  535}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.600     1.700     1.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.97412E-03 ppm1      4.650 ppm2      0.980 CV     1
 OR {  535}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  535}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  537}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.400     0.700     0.700 peak   537 spectrum    1 weight  0.10000E+01 volume  0.52485E-02 ppm1      2.729 ppm2      0.964 CV     1
 OR {  537}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  537}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  546}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.500     1.500 peak   546 spectrum    1 weight  0.10000E+01 volume  0.81842E-03 ppm1      4.393 ppm2      7.700 CV     1
 OR {  546}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 OR {  546}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 OR {  546}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  547}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HE21))
      4.300     2.300     1.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.91870E-03 ppm1      2.314 ppm2      7.698 CV     1
 OR {  547}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
 OR {  547}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {  548}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE21))
      4.400     2.500     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.88006E-03 ppm1      2.125 ppm2      7.700 CV     1
 OR {  548}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
 OR {  548}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
 OR {  548}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  552}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      5.100     3.200     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.27127E-03 ppm1      2.125 ppm2      3.445 CV     1
 OR {  552}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  553}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   553 spectrum    1 weight  0.10000E+01 volume  0.18269E-02 ppm1      4.393 ppm2      2.695 CV     1
 OR {  553}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI {  554}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.000     1.100     1.100 peak   554 spectrum    1 weight  0.10000E+01 volume  0.13791E-02 ppm1      4.392 ppm2      2.574 CV     1
 OR {  554}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI {  558}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      4.600     2.600     1.400 peak   558 spectrum    1 weight  0.10000E+01 volume  0.62667E-03 ppm1      2.314 ppm2      0.518 CV     1
 OR {  558}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  558}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  559}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
      4.200     2.200     1.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.13020E-02 ppm1      2.129 ppm2      0.518 CV     1
 OR {  559}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  559}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  559}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  561}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.600     2.600     1.400 peak   561 spectrum    1 weight  0.10000E+01 volume  0.61729E-03 ppm1      4.393 ppm2      1.437 CV     1
 OR {  561}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
 OR {  561}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI {  563}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
      5.000     3.100     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.52827E-03 ppm1      2.125 ppm2      1.507 CV     1
 OR {  563}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 1    and name HB% )
 OR {  563}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
 OR {  563}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  564}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      3.600     1.600     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.55162E-03 ppm1      4.388 ppm2      0.518 CV     1
 OR {  564}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  564}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  564}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  568}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE21))
      2.800     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.28658E-02 ppm1      2.686 ppm2      7.700 CV     1
 OR {  568}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE22))
 OR {  568}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  569}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE21))
      2.300     0.700     0.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.31358E-02 ppm1      2.577 ppm2      7.701 CV     1
 OR {  569}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE22))
 OR {  569}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  579}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 2    and name HB% )
      4.300     2.300     1.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.38448E-03 ppm1      2.686 ppm2      1.506 CV     1
 OR {  579}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 1    and name HB% )
 ASSI {  580}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 2    and name HB% )
      4.200     2.200     1.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.57487E-03 ppm1      2.575 ppm2      1.506 CV     1
 OR {  580}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  583}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 7    and name HD1%)
      4.200     2.200     1.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.97205E-03 ppm1      2.688 ppm2      0.518 CV     1
 OR {  583}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  583}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  584}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.800     1.800     1.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.10145E-02 ppm1      2.578 ppm2      0.516 CV     1
 OR {  584}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  584}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  592}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      5.600     3.900     0.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.72374E-04 ppm1      3.903 ppm2      7.818 CV     1
 OR {  592}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  598}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak   598 spectrum    1 weight  0.10000E+01 volume  0.94971E-03 ppm1      2.247 ppm2      3.791 CV     1
 OR {  598}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  608}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      5.800     4.200     0.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.15642E-03 ppm1      2.422 ppm2      7.943 CV     1
 OR {  608}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  609}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.15110E-03 ppm1      2.422 ppm2      8.782 CV     1
 OR {  609}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
 OR {  609}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 OR {  609}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  612}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 18   and name HG2%)
      3.500     1.600     1.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.18151E-02 ppm1      2.445 ppm2      0.957 CV     1
 OR {  612}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  612}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  612}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  613}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 18   and name HD1%)
      4.600     2.700     1.400 peak   613 spectrum    1 weight  0.10000E+01 volume  0.70936E-03 ppm1      2.449 ppm2      0.759 CV     1
 OR {  613}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  614}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.300     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.98162E-03 ppm1      2.269 ppm2      0.760 CV     1
 OR {  614}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  614}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  614}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  626}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.300     0.700     0.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.79750E-02 ppm1      4.022 ppm2      2.271 CV     1
 OR {  626}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  626}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  626}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  629}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      3.000     1.100     1.100 peak   629 spectrum    1 weight  0.10000E+01 volume  0.33167E-02 ppm1      4.033 ppm2      1.671 CV     1
 OR {  629}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  636}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      4.400     2.400     1.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.50380E-03 ppm1      2.265 ppm2      3.589 CV     1
 OR {  636}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  636}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR {  636}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  637}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.69674E-03 ppm1      2.265 ppm2      3.049 CV     1
 OR {  637}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR {  637}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR {  637}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  637}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI {  638}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.900     1.900     1.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.67058E-03 ppm1      2.263 ppm2      2.731 CV     1
 OR {  638}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  638}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  638}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  647}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.14870E-02 ppm1      4.049 ppm2      7.918 CV     1
 OR {  647}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  652}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      5.100     3.200     0.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.33393E-03 ppm1      2.285 ppm2      3.402 CV     1
 OR {  652}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  652}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  653}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      4.700     2.700     1.300 peak   653 spectrum    1 weight  0.10000E+01 volume  0.40378E-03 ppm1      2.132 ppm2      3.401 CV     1
 OR {  653}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  659}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   659 spectrum    1 weight  0.10000E+01 volume  0.30073E-02 ppm1      2.139 ppm2      0.944 CV     1
 OR {  659}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  661}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      3.300     1.400     1.400 peak   661 spectrum    1 weight  0.10000E+01 volume  0.37972E-02 ppm1      4.049 ppm2      0.964 CV     1
 OR {  661}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
 OR {  661}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  661}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  666}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      4.400     2.500     1.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.43825E-03 ppm1      2.274 ppm2      4.256 CV     1
 OR {  666}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  666}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR {  666}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
 OR {  666}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  667}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.73613E-03 ppm1      2.434 ppm2      4.243 CV     1
 OR {  667}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  669}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   669 spectrum    1 weight  0.10000E+01 volume  0.70253E-03 ppm1      4.163 ppm2      8.224 CV     1
 OR {  669}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  670}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.37904E-02 ppm1      4.163 ppm2      7.837 CV     1
 OR {  670}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  673}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      4.200     2.200     1.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.56637E-03 ppm1      4.163 ppm2      4.691 CV     1
 OR {  673}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  674}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      4.000     2.000     2.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.70043E-03 ppm1      4.165 ppm2      4.467 CV     1
 OR {  674}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  677}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.500     2.500     1.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.55046E-03 ppm1      4.167 ppm2      1.661 CV     1
 OR {  677}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HD1 ))
 OR {  677}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR {  677}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
 OR {  677}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI {  678}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.800     1.800     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.81425E-03 ppm1      4.161 ppm2      0.597 CV     1
 OR {  678}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  678}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  681}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak   681 spectrum    1 weight  0.10000E+01 volume  0.12186E-02 ppm1      4.170 ppm2      3.921 CV     1
 OR {  681}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  681}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  686}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.10792E-02 ppm1      2.281 ppm2      4.692 CV     1
 OR {  686}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 3    and name HB  ))
 ASSI {  687}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak   687 spectrum    1 weight  0.10000E+01 volume  0.60329E-03 ppm1      2.810 ppm2      3.921 CV     1
 OR {  687}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  690}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      4.800     2.900     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.24820E-03 ppm1      2.283 ppm2      3.276 CV     1
 OR {  690}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  691}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HB  ))
      4.200     2.200     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.56740E-03 ppm1      2.812 ppm2      1.680 CV     1
 OR {  691}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HD1 ))
 OR {  691}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HD2 ))
 OR {  691}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR {  691}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI {  692}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HB  ))
      3.900     1.900     1.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.70328E-03 ppm1      2.287 ppm2      1.677 CV     1
 OR {  692}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HD1 ))
 OR {  692}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HB2 ))
 OR {  692}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR {  692}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HD2 ))
 ASSI {  694}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 58   and name HD1%)
      3.800     1.800     1.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      2.810 ppm2      0.607 CV     1
 OR {  694}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 40   and name H8% )
 OR {  694}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  695}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 47   and name HG2%)
      3.000     1.100     1.100 peak   695 spectrum    1 weight  0.10000E+01 volume  0.23275E-02 ppm1      2.810 ppm2      0.868 CV     1
 OR {  695}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  695}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 56   and name HG1%)
 OR {  695}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 63   and name HG2%)
 OR {  695}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  696}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 58   and name HD1%)
      4.000     2.000     2.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.11543E-02 ppm1      2.281 ppm2      0.607 CV     1
 OR {  696}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 40   and name H8% )
 ASSI {  697}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 47   and name HG2%)
      3.300     1.400     1.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.19401E-02 ppm1      2.283 ppm2      0.888 CV     1
 OR {  697}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 56   and name HG1%)
 OR {  697}
   (( segid "    " and resid 5    and name HG2 ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  697}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  697}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 76   and name HG12))
 OR {  697}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  711}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      4.600     2.700     1.400 peak   711 spectrum    1 weight  0.10000E+01 volume  0.30908E-03 ppm1      4.609 ppm2      3.533 CV     1
 OR {  711}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  714}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
      4.300     2.400     1.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.87967E-03 ppm1      4.609 ppm2      1.723 CV     1
 OR {  714}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  714}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  716}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      4.200     2.200     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.62011E-03 ppm1      4.612 ppm2      0.898 CV     1
 OR {  716}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  716}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR {  716}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI {  723}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.500     2.600     1.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.44323E-03 ppm1      2.035 ppm2      3.551 CV     1
 OR {  723}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  723}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  725}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      4.500     2.600     1.500 peak   725 spectrum    1 weight  0.10000E+01 volume  0.53257E-03 ppm1      1.508 ppm2      3.532 CV     1
 OR {  725}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  733}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.100     2.100     1.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.91294E-03 ppm1      1.314 ppm2      3.533 CV     1
 OR {  733}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  733}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  736}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      4.500     2.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1      1.316 ppm2      4.389 CV     1
 OR {  736}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
 OR {  736}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
 OR {  736}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  738}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 25   and name HB1 ))
      4.500     2.500     1.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.45477E-03 ppm1      1.319 ppm2      2.711 CV     1
 OR {  738}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HB1 ))
 OR {  738}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  738}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 29   and name HB1 ))
 OR {  738}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  751}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      6.000     5.200     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.42017E-04 ppm1      4.391 ppm2      0.608 CV     1
 OR {  751}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  760}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.500     2.500     1.500 peak   760 spectrum    1 weight  0.10000E+01 volume  0.31222E-03 ppm1      1.356 ppm2      3.532 CV     1
 OR {  760}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  761}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.200     2.200     1.800 peak   761 spectrum    1 weight  0.10000E+01 volume  0.44966E-03 ppm1      2.028 ppm2      2.707 CV     1
 OR {  761}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  761}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  762}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.500     2.500     1.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10313E-02 ppm1      1.345 ppm2      2.708 CV     1
 OR {  762}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
 OR {  762}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  765}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
      2.400     0.700     0.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.14966E-02 ppm1      1.349 ppm2      0.606 CV     1
 OR {  765}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  771}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
      5.800     4.200     0.200 peak   771 spectrum    1 weight  0.10000E+01 volume  0.18910E-03 ppm1      1.441 ppm2      3.526 CV     1
 OR {  771}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  772}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 26   and name HA  ))
      6.000     5.300     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.14814E-03 ppm1      1.543 ppm2      3.530 CV     1
 OR {  772}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  775}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.000     2.000     2.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.90276E-03 ppm1      1.542 ppm2      2.706 CV     1
 OR {  775}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 80   and name HG1 ))
 OR {  775}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  776}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.100     2.200     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.10782E-02 ppm1      1.444 ppm2      2.704 CV     1
 OR {  776}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  790}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HG1 ))
      4.100     2.100     1.900 peak   790 spectrum    1 weight  0.10000E+01 volume  0.95217E-03 ppm1      1.663 ppm2      1.981 CV     1
 OR {  790}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 56   and name HB  ))
 OR {  790}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 56   and name HB  ))
 OR {  790}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR {  790}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  790}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  807}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      5.300     3.500     0.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.33348E-03 ppm1      1.816 ppm2      7.711 CV     1
 OR {  807}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 OR {  807}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HD22))
 ASSI {  808}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      4.100     2.100     1.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.28592E-03 ppm1      4.084 ppm2      3.225 CV     1
 OR {  808}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H42A))
 ASSI {  812}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      3.100     1.200     1.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.15832E-02 ppm1      4.080 ppm2      0.845 CV     1
 OR {  812}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 OR {  812}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  823}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HE2 ))
      3.000     1.100     1.100 peak   823 spectrum    1 weight  0.10000E+01 volume  0.24422E-02 ppm1      1.379 ppm2      2.976 CV     1
 OR {  823}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR {  823}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR {  823}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HE1 ))
 OR {  823}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR {  823}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR {  823}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HE1 ))
 OR {  823}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI {  826}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 63   and name HB  ))
      3.900     1.900     1.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.79944E-03 ppm1      1.386 ppm2      1.958 CV     1
 OR {  826}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR {  826}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR {  826}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  826}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 56   and name HB  ))
 OR {  826}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 56   and name HB  ))
 OR {  826}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  826}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  833}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.86137E-03 ppm1      1.654 ppm2      4.316 CV     1
 OR {  833}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  833}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  835}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.000     2.000     2.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.26283E-03 ppm1      1.649 ppm2      2.600 CV     1
 OR {  835}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR {  835}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 61   and name HB1 ))
 OR {  835}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 61   and name HB1 ))
 OR {  835}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  835}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR {  835}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  835}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  836}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HE1 ))
      2.600     0.800     0.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.43424E-02 ppm1      1.652 ppm2      2.981 CV     1
 OR {  836}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR {  836}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HE1 ))
 OR {  836}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE1 ))
 OR {  836}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE2 ))
 OR {  836}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  836}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR {  836}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI {  839}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.700     0.900     0.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.18823E-02 ppm1      4.484 ppm2      3.081 CV     1
 OR {  839}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 OR {  839}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HE1 ))
 OR {  839}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HE2 ))
 OR {  839}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  843}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.900     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.26133E-02 ppm1      4.483 ppm2      0.883 CV     1
 OR {  843}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  843}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  844}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      2.800     1.000     1.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.37157E-02 ppm1      4.484 ppm2      0.600 CV     1
 OR {  844}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 OR {  844}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  844}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 OR {  844}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  845}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      4.600     2.700     1.400 peak   845 spectrum    1 weight  0.10000E+01 volume  0.61788E-03 ppm1      4.484 ppm2      0.386 CV     1
 OR {  845}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
 OR {  845}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI {  846}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      3.800     1.800     1.800 peak   846 spectrum    1 weight  0.10000E+01 volume  0.83275E-03 ppm1      4.482 ppm2      1.786 CV     1
 OR {  846}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  846}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 OR {  846}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  846}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  847}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      4.600     2.700     1.400 peak   847 spectrum    1 weight  0.10000E+01 volume  0.24221E-03 ppm1      4.488 ppm2      4.896 CV     1
 OR {  847}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  847}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
 OR {  847}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  848}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.200     1.200 peak   848 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      4.480 ppm2      7.692 CV     1
 OR {  848}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  850}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 40   and name H43B))
      4.100     2.100     1.900 peak   850 spectrum    1 weight  0.10000E+01 volume  0.20093E-03 ppm1      2.052 ppm2      2.880 CV     1
 OR {  850}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  850}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  851}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.31341E-02 ppm1      3.075 ppm2      4.483 CV     1
 OR {  851}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  852}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.42017E-02 ppm1      2.872 ppm2      4.485 CV     1
 OR {  852}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  856}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
      3.200     1.300     1.300 peak   856 spectrum    1 weight  0.10000E+01 volume  0.17808E-02 ppm1      3.073 ppm2      0.603 CV     1
 OR {  856}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 40   and name H8% )
 OR {  856}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  857}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      3.600     1.600     1.600 peak   857 spectrum    1 weight  0.10000E+01 volume  0.25801E-02 ppm1      2.871 ppm2      0.603 CV     1
 OR {  857}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  860}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.14250E-02 ppm1      3.077 ppm2      4.102 CV     1
 OR {  860}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  860}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HB1 ))
 OR {  860}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  861}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      5.100     3.200     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.19388E-03 ppm1      2.878 ppm2      1.769 CV     1
 OR {  861}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HG  ))
 OR {  861}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  861}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  868}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 65   and name HA  ))
      4.400     2.400     1.600 peak   868 spectrum    1 weight  0.10000E+01 volume  0.23197E-03 ppm1      1.553 ppm2      4.873 CV     1
 OR {  868}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  870}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
      4.600     2.600     1.400 peak   870 spectrum    1 weight  0.10000E+01 volume  0.23472E-03 ppm1      1.431 ppm2      4.887 CV     1
 OR {  870}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  875}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      5.500     3.700     0.500 peak   875 spectrum    1 weight  0.10000E+01 volume  0.23081E-03 ppm1      1.879 ppm2      8.524 CV     1
 OR {  875}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  876}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak   876 spectrum    1 weight  0.10000E+01 volume  0.19471E-02 ppm1      3.923 ppm2      8.512 CV     1
 OR {  876}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 OR {  876}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  878}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   878 spectrum    1 weight  0.10000E+01 volume  0.55573E-03 ppm1      3.919 ppm2      8.645 CV     1
 OR {  878}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI {  883}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   883 spectrum    1 weight  0.10000E+01 volume  0.68927E-03 ppm1      1.953 ppm2      4.470 CV     1
 OR {  883}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  886}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 73   and name HB  ))
      4.500     2.500     1.500 peak   886 spectrum    1 weight  0.10000E+01 volume  0.36132E-03 ppm1      1.879 ppm2      4.193 CV     1
 OR {  886}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  890}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      5.000     3.100     1.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.29944E-03 ppm1      3.919 ppm2      0.515 CV     1
 OR {  890}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  890}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  891}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      3.000     1.100     1.100 peak   891 spectrum    1 weight  0.10000E+01 volume  0.44287E-02 ppm1      3.922 ppm2      0.808 CV     1
 OR {  891}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  891}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  891}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  895}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.500     0.800     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.52232E-02 ppm1      3.921 ppm2      1.723 CV     1
 OR {  895}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  900}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 75   and name HA  ))
      4.500     2.500     1.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.18287E-03 ppm1      1.424 ppm2      4.210 CV     1
 OR {  900}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  900}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  903}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 40   and name H2A ))
      4.500     2.600     1.500 peak   903 spectrum    1 weight  0.10000E+01 volume  0.19403E-03 ppm1      1.432 ppm2      2.521 CV     1
 OR {  903}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 78   and name HB1 ))
 OR {  903}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 40   and name H2A ))
 OR {  903}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 78   and name HB1 ))
 OR {  903}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  904}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 78   and name HN  ))
      4.400     2.400     1.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.17038E-03 ppm1      1.416 ppm2      8.246 CV     1
 OR {  904}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 40   and name H41A))
 OR {  904}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  916}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      3.700     1.700     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.13131E-02 ppm1      2.719 ppm2      0.612 CV     1
 OR {  916}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  916}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 OR {  916}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  919}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      4.400     2.400     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.53759E-03 ppm1      2.722 ppm2      4.466 CV     1
 OR {  919}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 OR {  919}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  920}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.49309E-03 ppm1      3.025 ppm2      4.463 CV     1
 OR {  920}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  921}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HG  ))
      4.200     2.200     1.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.47482E-03 ppm1      2.722 ppm2      1.781 CV     1
 OR {  921}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HB  ))
 OR {  921}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  922}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HG  ))
      4.800     2.900     1.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.35479E-03 ppm1      3.025 ppm2      1.778 CV     1
 OR {  922}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  940}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
      2.500     0.800     0.800 peak   940 spectrum    1 weight  0.10000E+01 volume  0.66706E-02 ppm1      2.571 ppm2      0.981 CV     1
 OR {  940}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  940}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI {  948}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
      4.600     2.600     1.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.45361E-03 ppm1      2.567 ppm2      1.026 CV     1
 OR {  948}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  949}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
      3.500     1.600     1.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.13486E-02 ppm1      4.465 ppm2      1.041 CV     1
 OR {  949}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 OR {  949}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 OR {  949}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 OR {  949}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  950}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.800     2.900     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.35987E-03 ppm1      2.748 ppm2      1.736 CV     1
 OR {  950}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HB  ))
 OR {  950}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  950}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  956}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      5.900     4.400     0.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.13769E-03 ppm1      2.753 ppm2      7.484 CV     1
 OR {  956}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  977}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.10881E-02 ppm1      3.017 ppm2      4.388 CV     1
 OR {  977}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  981}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HD2 ))
      2.300     0.700     0.700 peak   981 spectrum    1 weight  0.10000E+01 volume  0.22387E-02 ppm1      3.017 ppm2      1.457 CV     1
 OR {  981}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI {  983}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HD1 ))
      2.800     1.000     1.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.85538E-03 ppm1      3.018 ppm2      1.571 CV     1
 OR {  983}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  988}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
      5.800     4.200     0.200 peak   988 spectrum    1 weight  0.10000E+01 volume  0.33487E-03 ppm1      2.697 ppm2      0.608 CV     1
 OR {  988}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  989}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
      5.500     3.800     0.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.31898E-03 ppm1      3.018 ppm2      0.601 CV     1
 OR {  989}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  994}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.500     1.600     1.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.28420E-02 ppm1      2.698 ppm2      1.460 CV     1
 OR {  994}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI { 1011}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HG12))
      4.000     2.000     2.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1      3.086 ppm2      0.919 CV     1
 OR { 1011}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 1011}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 1011}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 1011}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1011}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 1011}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1012}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      3.900     1.900     1.900 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.55812E-03 ppm1      3.078 ppm2      0.825 CV     1
 OR { 1012}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 58   and name HG12))
 OR { 1012}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1012}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1012}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1012}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 58   and name HG12))
 OR { 1012}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 1012}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 1012}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1029}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      5.100     3.300     0.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.30361E-03 ppm1      3.243 ppm2      8.325 CV     1
 OR { 1029}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 OR { 1029}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1033}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      5.300     3.500     0.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.20519E-03 ppm1      3.252 ppm2      4.862 CV     1
 OR { 1033}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1051}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.500     0.800     0.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.27654E-02 ppm1      1.591 ppm2      0.665 CV     1
 OR { 1051}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1056}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      4.200     2.200     1.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.24541E-03 ppm1      1.061 ppm2      2.117 CV     1
 OR { 1056}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1059}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      5.600     3.900     0.400 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.18960E-03 ppm1      3.889 ppm2      7.454 CV     1
 OR { 1059}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 1079}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      5.000     3.100     1.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.21806E-03 ppm1      0.836 ppm2      8.074 CV     1
 OR { 1079}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1082}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HE% )
      3.600     1.600     1.600 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.13327E-02 ppm1      0.835 ppm2      7.122 CV     1
 OR { 1082}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
 OR { 1082}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 32   and name HD% )
 ASSI { 1083}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HD% )
      3.600     1.700     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.10636E-02 ppm1      0.835 ppm2      7.453 CV     1
 OR { 1083}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 1106}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.16717E-02 ppm1      1.734 ppm2      7.727 CV     1
 OR { 1106}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1108}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      3.600     1.600     1.600 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.36727E-02 ppm1      4.283 ppm2      0.978 CV     1
 OR { 1108}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 1108}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 1109}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 21   and name HG2%)
      4.700     2.800     1.300 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.97800E-03 ppm1      2.326 ppm2      0.989 CV     1
 OR { 1109}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1109}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 1110}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
      4.400     2.500     1.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.39754E-03 ppm1      1.742 ppm2      0.991 CV     1
 OR { 1110}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1110}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 1119}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      3.400     1.400     1.400 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.42370E-03 ppm1      1.923 ppm2      2.574 CV     1
 OR { 1119}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1119}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 1122}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 21   and name HG2%)
      4.700     2.700     1.300 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.92973E-03 ppm1      2.113 ppm2      0.993 CV     1
 OR { 1122}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 1123}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 21   and name HG2%)
      3.500     1.600     1.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.66855E-03 ppm1      1.923 ppm2      0.999 CV     1
 OR { 1123}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 1138}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 21   and name HG2%)
      4.000     2.000     2.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.24665E-02 ppm1      4.026 ppm2      0.993 CV     1
 OR { 1138}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI { 1165}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HB1 ))
      5.200     3.400     0.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.59644E-03 ppm1      2.372 ppm2      2.607 CV     1
 OR { 1165}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR { 1165}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1166}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      4.100     2.100     1.900 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.53561E-03 ppm1      1.923 ppm2      2.606 CV     1
 OR { 1166}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR { 1166}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1167}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 57   and name HE2 ))
      5.100     3.200     0.900 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.25477E-03 ppm1      1.906 ppm2      2.955 CV     1
 OR { 1167}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 57   and name HE1 ))
 OR { 1167}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 1167}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 1175}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.84429E-03 ppm1      3.789 ppm2      1.677 CV     1
 OR { 1175}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 1175}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 1175}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1179}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     5.500     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.10225E-03 ppm1      3.788 ppm2      2.592 CV     1
 OR { 1179}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 61   and name HB1 ))
 OR { 1179}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR { 1179}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 1179}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 60   and name HB1 ))
 OR { 1179}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1193}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      2.900     1.000     1.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.23557E-02 ppm1      4.182 ppm2      1.957 CV     1
 OR { 1193}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1194}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      2.100     0.600     0.600 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.79217E-02 ppm1      4.182 ppm2      0.844 CV     1
 OR { 1194}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1194}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1196}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      5.200     3.400     0.800 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.23619E-03 ppm1      4.176 ppm2      1.668 CV     1
 OR { 1196}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
 OR { 1196}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 1206}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HE2 ))
      4.900     3.000     1.100 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.27227E-03 ppm1      2.625 ppm2      2.987 CV     1
 OR { 1206}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 1206}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 1206}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 1206}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 1227}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.33746E-02 ppm1      2.376 ppm2      3.807 CV     1
 OR { 1227}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 1227}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 1227}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 1230}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 65   and name HB1 ))
      5.400     3.600     0.600 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.19234E-03 ppm1      2.365 ppm2      3.008 CV     1
 OR { 1230}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 65   and name HB1 ))
 OR { 1230}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 1230}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 1230}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 1236}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.19870E-02 ppm1      3.076 ppm2      8.191 CV     1
 OR { 1236}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1259}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
      4.300     2.300     1.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.38739E-03 ppm1      4.356 ppm2      1.609 CV     1
 OR { 1259}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1259}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1260}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.800     1.800     1.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.69248E-03 ppm1      4.364 ppm2      1.751 CV     1
 OR { 1260}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 1267}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.25811E-03 ppm1      1.373 ppm2      7.934 CV     1
 OR { 1267}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1271}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 42   and name HB1 ))
      3.900     1.900     1.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.50098E-03 ppm1      1.376 ppm2      3.956 CV     1
 OR { 1271}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 1277}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.37914E-02 ppm1      1.375 ppm2      1.918 CV     1
 OR { 1277}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
 ASSI { 1298}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HA  ))
      4.600     2.700     1.400 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.29010E-03 ppm1      3.571 ppm2      4.383 CV     1
 OR { 1298}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1299}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      4.900     3.000     1.100 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.29936E-03 ppm1      2.502 ppm2      4.379 CV     1
 OR { 1299}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1303}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      3.500     1.500     1.500 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.17986E-03 ppm1      2.489 ppm2      0.609 CV     1
 OR { 1303}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 1303}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1313}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      4.900     3.000     1.100 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.46942E-03 ppm1      3.794 ppm2      4.239 CV     1
 OR { 1313}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1318}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      5.200     3.300     0.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.24220E-03 ppm1      3.797 ppm2      2.719 CV     1
 OR { 1318}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 1321}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.28686E-02 ppm1      3.795 ppm2      2.255 CV     1
 OR { 1321}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1321}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR { 1321}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI { 1322}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      2.800     1.000     1.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.38781E-02 ppm1      3.795 ppm2      2.099 CV     1
 OR { 1322}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1324}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.600     1.600     1.600 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.26188E-02 ppm1      3.795 ppm2      0.726 CV     1
 OR { 1324}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1325}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      5.500     3.800     0.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.29729E-03 ppm1      3.796 ppm2      1.286 CV     1
 OR { 1325}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1327}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
      4.000     2.000     2.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.59424E-03 ppm1      3.795 ppm2      1.633 CV     1
 OR { 1327}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 1327}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
 OR { 1327}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1328}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.200     2.200     1.800 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.89451E-03 ppm1      3.796 ppm2      1.510 CV     1
 OR { 1328}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1330}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.43722E-02 ppm1      2.075 ppm2      0.720 CV     1
 OR { 1330}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1331}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 11   and name HD2%)
      4.700     2.700     1.300 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      2.056 ppm2      0.863 CV     1
 OR { 1331}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR { 1331}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1331}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 1331}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 1339}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.75033E-03 ppm1      1.969 ppm2      4.238 CV     1
 OR { 1339}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 1339}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1343}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 11   and name HA  ))
      4.800     2.800     1.200 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.55285E-03 ppm1      1.030 ppm2      4.235 CV     1
 OR { 1343}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1347}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 46   and name HA  ))
      6.000     5.300     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.14338E-03 ppm1      1.956 ppm2      3.415 CV     1
 OR { 1347}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 8    and name HA  ))
 OR { 1347}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1348}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 13   and name HG2 ))
      4.800     2.900     1.200 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.60200E-03 ppm1      1.029 ppm2      2.250 CV     1
 OR { 1348}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 1348}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 13   and name HB2 ))
 OR { 1348}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1348}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1349}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 49   and name HB% )
      4.400     2.400     1.600 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.88497E-03 ppm1      1.968 ppm2      1.506 CV     1
 OR { 1349}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 9    and name HB% )
 OR { 1349}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 50   and name HB% )
 OR { 1349}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 7    and name HG11))
 OR { 1349}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 7    and name HG11))
 OR { 1349}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 1350}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 49   and name HB% )
      3.100     1.200     1.200 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.20692E-02 ppm1      1.031 ppm2      1.506 CV     1
 OR { 1350}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1351}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 14   and name HD1%)
      2.200     0.600     0.600 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.67679E-02 ppm1      1.966 ppm2      0.721 CV     1
 OR { 1351}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1352}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 14   and name HD1%)
      2.200     0.600     0.600 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.65901E-02 ppm1      1.031 ppm2      0.722 CV     1
 OR { 1352}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      5.000     3.100     1.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.23829E-03 ppm1      1.045 ppm2      8.400 CV     1
 OR { 1358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1367}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.10590E-02 ppm1      1.043 ppm2      4.234 CV     1
 OR { 1367}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 OR { 1367}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1368}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.500     1.500 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.99162E-03 ppm1      1.044 ppm2      3.579 CV     1
 OR { 1368}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1372}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HD2 ))
      3.300     1.400     1.400 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.15761E-02 ppm1      0.712 ppm2      2.691 CV     1
 OR { 1372}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1374}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 17   and name HG1 ))
      4.700     2.800     1.300 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.31607E-03 ppm1      0.712 ppm2      2.390 CV     1
 OR { 1374}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1378}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.73506E-02 ppm1      0.713 ppm2      1.497 CV     1
 OR { 1378}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1379}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
      3.300     1.400     1.400 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.15350E-02 ppm1      1.042 ppm2      1.638 CV     1
 OR { 1379}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 OR { 1379}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1381}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      5.600     3.900     0.400 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.22644E-03 ppm1      1.043 ppm2      2.424 CV     1
 OR { 1381}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 45   and name HG1 ))
 ASSI { 1382}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
      3.900     1.900     1.900 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.13228E-02 ppm1      1.044 ppm2      2.268 CV     1
 OR { 1382}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
 OR { 1382}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1382}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1382}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
 OR { 1382}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HG2 ))
 ASSI { 1385}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      4.400     2.400     1.600 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.66706E-03 ppm1      0.711 ppm2      3.405 CV     1
 OR { 1385}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1396}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      4.200     2.200     1.800 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.73577E-03 ppm1      3.576 ppm2      0.752 CV     1
 OR { 1396}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR { 1396}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 1396}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 1396}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
 OR { 1396}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI { 1397}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      4.300     2.300     1.700 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.46958E-03 ppm1      3.575 ppm2      0.635 CV     1
 OR { 1397}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1397}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 1397}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI { 1399}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.200     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.13018E-01 ppm1      3.574 ppm2      0.978 CV     1
 OR { 1399}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1399}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1399}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1399}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1400}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      4.700     2.800     1.300 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.59036E-03 ppm1      3.576 ppm2      1.301 CV     1
 OR { 1400}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
 OR { 1400}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 OR { 1400}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1401}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.900     1.000     1.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.35870E-02 ppm1      3.575 ppm2      1.610 CV     1
 OR { 1401}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 OR { 1401}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
 ASSI { 1415}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.73574E-03 ppm1      0.977 ppm2      8.461 CV     1
 OR { 1415}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1421}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.500     1.500 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.19226E-02 ppm1      0.975 ppm2      6.979 CV     1
 OR { 1421}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1422}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HD21))
      4.800     2.800     1.200 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.22289E-03 ppm1      0.977 ppm2      6.844 CV     1
 OR { 1422}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 1423}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      3.500     1.500     1.500 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.83259E-03 ppm1      0.979 ppm2      7.161 CV     1
 OR { 1423}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
 ASSI { 1426}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      5.500     3.800     0.500 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.15567E-03 ppm1      0.985 ppm2      7.479 CV     1
 OR { 1426}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1427}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.800     0.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.11468E-03 ppm1      1.159 ppm2      7.475 CV     1
 OR { 1427}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1430}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.80210E-03 ppm1      1.159 ppm2      4.238 CV     1
 OR { 1430}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1436}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 19   and name HB% )
      3.300     1.400     1.400 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.25614E-02 ppm1      1.159 ppm2      1.572 CV     1
 OR { 1436}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
 OR { 1436}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1436}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1438}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 36   and name HD1%)
      2.400     0.700     0.700 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.45497E-02 ppm1      1.160 ppm2      0.633 CV     1
 OR { 1438}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 1455}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.400     0.700     0.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.68462E-02 ppm1      3.911 ppm2      0.942 CV     1
 OR { 1455}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1457}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
      2.400     0.700     0.700 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.37840E-02 ppm1      1.601 ppm2      0.769 CV     1
 OR { 1457}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 1473}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      4.600     2.600     1.400 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.33138E-03 ppm1      0.757 ppm2      7.918 CV     1
 OR { 1473}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1481}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 17   and name HG1 ))
      4.700     2.700     1.300 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.33872E-03 ppm1      1.281 ppm2      2.426 CV     1
 OR { 1481}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HG1 ))
 ASSI { 1482}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HB1 ))
      3.600     1.600     1.600 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.10322E-02 ppm1      1.283 ppm2      2.264 CV     1
 OR { 1482}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 1482}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1482}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1483}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HB2 ))
      3.500     1.600     1.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.11299E-02 ppm1      1.284 ppm2      2.126 CV     1
 OR { 1483}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 1484}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.22028E-02 ppm1      1.634 ppm2      2.263 CV     1
 OR { 1484}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1484}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1484}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1485}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HB2 ))
      3.900     1.900     1.900 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.19529E-02 ppm1      1.635 ppm2      2.123 CV     1
 OR { 1485}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1487}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.28898E-02 ppm1      0.757 ppm2      2.288 CV     1
 OR { 1487}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
 OR { 1487}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1489}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      2.700     0.900     0.900 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.33717E-02 ppm1      0.758 ppm2      1.511 CV     1
 OR { 1489}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1494}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.28210E-02 ppm1      0.928 ppm2      3.605 CV     1
 OR { 1494}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1499}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.52582E-03 ppm1      0.928 ppm2      8.047 CV     1
 OR { 1499}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1510}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      5.200     3.400     0.800 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.30328E-03 ppm1      1.516 ppm2      8.039 CV     1
 OR { 1510}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
 OR { 1510}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HD22))
 ASSI { 1516}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.20639E-02 ppm1      1.520 ppm2      3.952 CV     1
 OR { 1516}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HB1 ))
 OR { 1516}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HA2 ))
 ASSI { 1517}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      1.521 ppm2      3.591 CV     1
 OR { 1517}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1518}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 39   and name HB1 ))
      4.200     2.200     1.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.79637E-03 ppm1      1.520 ppm2      3.083 CV     1
 OR { 1518}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1536}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H41A))
      3.000     3.000     3.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.60876E-03 ppm1      1.109 ppm2      8.265 CV     1
 OR { 1536}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1541}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.900     3.000     1.100 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.43877E-03 ppm1      0.887 ppm2      4.106 CV     1
 OR { 1541}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 OR { 1541}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 OR { 1541}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1549}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.000     1.100     1.100 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.17450E-02 ppm1      3.268 ppm2      8.817 CV     1
 OR { 1549}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1553}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      3.600     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.12625E-02 ppm1      0.845 ppm2      3.569 CV     1
 OR { 1553}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
 OR { 1553}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 1554}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H3A ))
      3.300     1.400     1.400 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.16151E-02 ppm1      0.844 ppm2      3.928 CV     1
 OR { 1554}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 40   and name H3A ))
 OR { 1554}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1556}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 67   and name HA  ))
      5.100     3.200     0.900 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.20503E-03 ppm1      0.836 ppm2      4.457 CV     1
 OR { 1556}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
 OR { 1556}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 67   and name HA  ))
 OR { 1556}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1558}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      0.845 ppm2      8.810 CV     1
 OR { 1558}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1562}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
      3.100     1.200     1.200 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.10820E-02 ppm1      0.886 ppm2      2.569 CV     1
 OR { 1562}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H2B ))
 OR { 1562}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
 OR { 1562}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 1567}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      4.500     2.500     1.500 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.50017E-03 ppm1      1.590 ppm2      4.652 CV     1
 OR { 1567}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1577}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.400     0.700     0.700 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.59683E-02 ppm1      4.297 ppm2      0.998 CV     1
 OR { 1577}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1583}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 15   and name HB  ))
      5.000     3.100     1.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.52970E-03 ppm1      1.282 ppm2      2.246 CV     1
 OR { 1583}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 15   and name HB  ))
 OR { 1583}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 46   and name HB  ))
 OR { 1583}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 1587}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      4.500     2.500     1.500 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.62160E-03 ppm1      0.991 ppm2      7.483 CV     1
 OR { 1587}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1593}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      4.800     2.900     1.200 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.22848E-03 ppm1      0.990 ppm2      3.071 CV     1
 OR { 1593}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 35   and name HB1 ))
 OR { 1593}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1597}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
      3.300     1.400     1.400 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      0.993 ppm2      2.309 CV     1
 OR { 1597}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1607}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      4.100     2.100     1.900 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.80953E-03 ppm1      0.977 ppm2      8.809 CV     1
 OR { 1607}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
 OR { 1607}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 OR { 1607}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
 OR { 1607}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1609}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HD22))
      4.200     2.200     1.800 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.10038E-02 ppm1      0.979 ppm2      8.049 CV     1
 OR { 1609}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
 OR { 1609}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HD22))
 ASSI { 1614}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      3.600     1.700     1.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.22276E-03 ppm1      3.596 ppm2      4.659 CV     1
 OR { 1614}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
 OR { 1614}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1618}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.73128E-03 ppm1      0.944 ppm2      8.675 CV     1
 OR { 1618}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 OR { 1618}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1621}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.98793E-03 ppm1      0.945 ppm2      2.594 CV     1
 OR { 1621}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
 OR { 1621}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1621}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1621}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1625}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
      3.400     1.500     1.500 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      0.979 ppm2      2.595 CV     1
 OR { 1625}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
 OR { 1625}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1625}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1626}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      2.400     0.700     0.700 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.88329E-02 ppm1      0.944 ppm2      1.671 CV     1
 OR { 1626}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
 OR { 1626}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
 OR { 1626}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1628}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 12   and name HB% )
      4.200     2.200     1.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.91711E-03 ppm1      2.018 ppm2      1.667 CV     1
 OR { 1628}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 12   and name HB% )
 OR { 1628}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1637}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      5.600     3.900     0.400 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.22345E-03 ppm1      0.718 ppm2      8.143 CV     1
 OR { 1637}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1638}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 29   and name HN  ))
      5.500     3.800     0.500 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.16052E-03 ppm1      0.717 ppm2      8.389 CV     1
 OR { 1638}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
 OR { 1638}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1641}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      6.000     5.400     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.67870E-04 ppm1      0.714 ppm2      7.160 CV     1
 OR { 1641}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 1653}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      5.200     3.400     0.800 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.38625E-03 ppm1      3.512 ppm2      1.670 CV     1
 OR { 1653}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI { 1659}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      5.400     3.700     0.600 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.34069E-03 ppm1      3.516 ppm2      4.039 CV     1
 OR { 1659}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 1659}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1660}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.19785E-02 ppm1      2.318 ppm2      3.538 CV     1
 OR { 1660}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
 OR { 1660}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1661}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      2.100     0.600     0.600 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.87052E-02 ppm1      0.717 ppm2      4.040 CV     1
 OR { 1661}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1662}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.000     0.500     0.500 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.81096E-02 ppm1      0.903 ppm2      4.041 CV     1
 OR { 1662}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 OR { 1662}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
 OR { 1662}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 1663}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      4.600     2.700     1.400 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.41629E-03 ppm1      0.719 ppm2      3.373 CV     1
 OR { 1663}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1665}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.12294E-02 ppm1      0.718 ppm2      2.077 CV     1
 OR { 1665}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1665}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1666}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 12   and name HB% )
      2.300     0.700     0.700 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.63463E-02 ppm1      2.319 ppm2      1.669 CV     1
 OR { 1666}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 12   and name HB% )
 OR { 1666}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 1667}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 72   and name HB% )
      4.100     2.100     1.900 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.13051E-02 ppm1      0.722 ppm2      1.518 CV     1
 OR { 1667}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1667}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 19   and name HB% )
 OR { 1667}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HD1 ))
 ASSI { 1669}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.35385E-02 ppm1      0.733 ppm2      1.341 CV     1
 OR { 1669}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HG2 ))
 OR { 1669}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 1673}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.200     1.300     1.300 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.13615E-02 ppm1      3.519 ppm2      0.599 CV     1
 OR { 1673}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1694}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      5.400     3.600     0.600 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.18679E-03 ppm1      3.557 ppm2      2.751 CV     1
 OR { 1694}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1696}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      5.600     3.900     0.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.27478E-03 ppm1      3.558 ppm2      2.043 CV     1
 OR { 1696}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1698}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.600     4.000     0.400 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.23974E-03 ppm1      3.552 ppm2      1.305 CV     1
 OR { 1698}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 1699}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      4.300     2.300     1.700 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.87013E-03 ppm1      3.557 ppm2      1.034 CV     1
 OR { 1699}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1706}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HB1 ))
      5.400     3.600     0.600 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.29080E-03 ppm1      1.700 ppm2      2.039 CV     1
 OR { 1706}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 8    and name HB  ))
 OR { 1706}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1734}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     5.000     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.14147E-03 ppm1      0.884 ppm2      3.374 CV     1
 OR { 1734}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1735}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 69   and name HB  ))
      3.400     1.500     1.500 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.21154E-02 ppm1      0.786 ppm2      2.239 CV     1
 OR { 1735}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 1736}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 8    and name HB  ))
      3.700     1.700     1.700 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.16587E-02 ppm1      0.788 ppm2      2.004 CV     1
 OR { 1736}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 1738}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 8    and name HB  ))
      5.000     3.100     1.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.47699E-03 ppm1      0.886 ppm2      2.020 CV     1
 OR { 1738}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 27   and name HB1 ))
 OR { 1738}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
 OR { 1738}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1742}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1      4.067 ppm2      7.675 CV     1
 OR { 1742}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1745}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.89542E-03 ppm1      4.065 ppm2      8.566 CV     1
 OR { 1745}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 OR { 1745}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1746}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.500     1.500     1.500 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.11114E-02 ppm1      4.066 ppm2      7.481 CV     1
 OR { 1746}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 OR { 1746}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1747}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      4.900     3.000     1.100 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.62001E-03 ppm1      4.066 ppm2      5.211 CV     1
 OR { 1747}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1752}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      4.100     2.100     1.900 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.99116E-03 ppm1      3.835 ppm2      4.385 CV     1
 OR { 1752}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1753}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.13816E-02 ppm1      4.064 ppm2      4.379 CV     1
 OR { 1753}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
 OR { 1753}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 1753}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
 OR { 1753}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
 OR { 1753}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1754}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.800     1.300 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.67243E-03 ppm1      3.832 ppm2      3.027 CV     1
 OR { 1754}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HE1 ))
 ASSI { 1759}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.400     2.400     1.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.44824E-03 ppm1      4.060 ppm2      2.044 CV     1
 OR { 1759}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1759}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1759}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1760}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
      5.100     3.200     0.900 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.22842E-03 ppm1      3.832 ppm2      2.039 CV     1
 OR { 1760}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 1760}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1761}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.600     3.900     0.400 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.17575E-03 ppm1      4.061 ppm2      1.293 CV     1
 OR { 1761}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 1761}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 OR { 1761}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR { 1761}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1762}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      5.700     4.100     0.300 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.18760E-03 ppm1      3.834 ppm2      1.332 CV     1
 OR { 1762}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
 ASSI { 1764}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.20678E-02 ppm1      4.065 ppm2      1.038 CV     1
 OR { 1764}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 OR { 1764}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1765}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      5.400     3.600     0.600 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.20531E-03 ppm1      4.059 ppm2      1.755 CV     1
 OR { 1765}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1765}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1777}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 38   and name HB  ))
      4.100     2.100     1.900 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.11775E-02 ppm1      3.233 ppm2      1.873 CV     1
 OR { 1777}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1778}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 38   and name HB  ))
      4.800     2.800     1.200 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.12412E-02 ppm1      3.155 ppm2      1.878 CV     1
 OR { 1778}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1779}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H4B ))
      3.900     1.900     1.900 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.72708E-03 ppm1      3.235 ppm2      1.065 CV     1
 OR { 1779}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 1779}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1780}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 40   and name H4B ))
      3.700     1.800     1.800 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.54903E-03 ppm1      3.157 ppm2      1.056 CV     1
 OR { 1780}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 1780}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1781}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 43   and name HE% )
      2.500     0.800     0.800 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.14838E-02 ppm1      3.235 ppm2      1.391 CV     1
 OR { 1781}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1787}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
      4.200     2.200     1.800 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.53025E-03 ppm1      3.235 ppm2      0.618 CV     1
 OR { 1787}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 1787}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1787}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 1789}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 36   and name HD2%)
      5.600     3.900     0.400 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.18433E-03 ppm1      3.234 ppm2      0.774 CV     1
 OR { 1789}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H7A ))
 OR { 1789}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H7B ))
 OR { 1789}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1791}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
      4.200     2.200     1.800 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.71909E-03 ppm1      4.061 ppm2      0.926 CV     1
 OR { 1791}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1791}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1791}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1796}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      3.500     1.500     1.500 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.81083E-03 ppm1      4.461 ppm2      1.878 CV     1
 OR { 1796}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1822}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.18693E-02 ppm1      1.569 ppm2      4.072 CV     1
 OR { 1822}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1824}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      5.200     3.300     0.800 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.22497E-03 ppm1      1.567 ppm2      3.047 CV     1
 OR { 1824}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
 OR { 1824}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1829}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      3.300     1.300     1.300 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      4.353 ppm2      0.953 CV     1
 OR { 1829}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1829}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1848}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.13153E-02 ppm1      0.600 ppm2      3.531 CV     1
 OR { 1848}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1854}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.36795E-02 ppm1      0.758 ppm2      2.300 CV     1
 OR { 1854}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 ASSI { 1871}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.36342E-03 ppm1      3.962 ppm2      4.797 CV     1
 OR { 1871}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 1873}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.68581E-03 ppm1      0.920 ppm2      4.264 CV     1
 OR { 1873}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
 OR { 1873}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1874}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.26545E-02 ppm1      0.925 ppm2      4.106 CV     1
 OR { 1874}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 1874}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
 OR { 1874}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 1874}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
 OR { 1874}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR { 1874}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 33   and name HB  ))
 OR { 1874}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1877}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      2.800     1.000     1.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.24265E-02 ppm1      0.921 ppm2      3.603 CV     1
 OR { 1877}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 42   and name HB2 ))
 OR { 1877}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1882}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
      4.200     2.200     1.800 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.28451E-03 ppm1      3.965 ppm2      1.264 CV     1
 OR { 1882}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 1882}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 1882}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 18   and name HG12))
 ASSI { 1907}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      3.100     1.200     1.200 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.12050E-02 ppm1      3.961 ppm2      1.527 CV     1
 OR { 1907}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1910}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      2.800     1.000     1.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.37432E-02 ppm1      3.600 ppm2      0.929 CV     1
 OR { 1910}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1910}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1911}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
      2.000     0.500     0.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.14549E-01 ppm1      3.962 ppm2      0.929 CV     1
 OR { 1911}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1911}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1911}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1912}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      4.300     2.300     1.700 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.19182E-03 ppm1      4.258 ppm2      0.930 CV     1
 OR { 1912}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1912}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1913}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 39   and name HB1 ))
      3.800     1.800     1.800 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.95909E-03 ppm1      3.972 ppm2      3.056 CV     1
 OR { 1913}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1914}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 40   and name H38A))
      4.700     2.800     1.300 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.32921E-03 ppm1      3.967 ppm2      2.384 CV     1
 OR { 1914}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1914}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1914}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 40   and name H38B))
 OR { 1914}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1914}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 40   and name H38A))
 OR { 1914}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 40   and name H38B))
 OR { 1914}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1922}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H37B))
      5.400     3.600     0.600 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.10951E-03 ppm1      1.919 ppm2      3.576 CV     1
 OR { 1922}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1924}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      3.700     1.700     1.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13201E-02 ppm1      4.100 ppm2      0.633 CV     1
 OR { 1924}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI { 1929}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.700     0.900     0.900 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.45031E-02 ppm1      4.100 ppm2      0.957 CV     1
 OR { 1929}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1929}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1937}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.44362E-03 ppm1      4.098 ppm2      6.990 CV     1
 OR { 1937}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1938}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 46   and name HG1%)
      2.700     0.900     0.900 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.35350E-02 ppm1      1.375 ppm2      0.627 CV     1
 OR { 1938}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 36   and name HD1%)
 OR { 1938}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H6B ))
 OR { 1938}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 1944}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.15223E-02 ppm1      3.563 ppm2      7.940 CV     1
 OR { 1944}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 OR { 1944}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1947}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.56045E-03 ppm1      3.566 ppm2      7.792 CV     1
 OR { 1947}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1948}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.600     1.600 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.12439E-02 ppm1      2.215 ppm2      4.274 CV     1
 OR { 1948}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 1948}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
 OR { 1948}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 1948}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 1948}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1949}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
      4.500     2.500     1.500 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.55873E-03 ppm1      2.219 ppm2      3.923 CV     1
 OR { 1949}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1949}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
 OR { 1949}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 1949}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 50   and name HA  ))
 OR { 1949}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 20   and name HA2 ))
 OR { 1949}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1952}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.900     1.000     1.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.33552E-02 ppm1      1.107 ppm2      4.276 CV     1
 OR { 1952}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 OR { 1952}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1957}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.400     1.400 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.82176E-03 ppm1      3.408 ppm2      8.815 CV     1
 OR { 1957}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1958}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.100     1.100 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.18999E-02 ppm1      3.407 ppm2      7.922 CV     1
 OR { 1958}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1962}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      4.500     2.600     1.500 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.47401E-03 ppm1      3.407 ppm2      4.238 CV     1
 OR { 1962}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 1963}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      3.600     1.600     1.600 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.13704E-02 ppm1      3.404 ppm2      3.927 CV     1
 OR { 1963}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 1963}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR { 1963}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
 OR { 1963}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
 OR { 1963}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1964}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      4.400     2.400     1.600 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.54234E-03 ppm1      3.407 ppm2      2.081 CV     1
 OR { 1964}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 1964}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1966}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      2.500     0.800     0.800 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.48359E-02 ppm1      3.407 ppm2      1.512 CV     1
 OR { 1966}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1969}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      2.200     0.600     0.600 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.58489E-02 ppm1      3.407 ppm2      0.763 CV     1
 OR { 1969}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 1969}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1971}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      5.100     3.300     0.900 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.37086E-03 ppm1      3.406 ppm2      1.290 CV     1
 OR { 1971}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1974}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      4.100     2.100     1.900 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.14918E-03 ppm1      3.407 ppm2      2.453 CV     1
 OR { 1974}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 OR { 1974}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 OR { 1974}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
 OR { 1974}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1978}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.85765E-03 ppm1      0.631 ppm2      8.811 CV     1
 OR { 1978}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 OR { 1978}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1985}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HB  ))
      3.400     1.500     1.500 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.70858E-03 ppm1      0.632 ppm2      2.084 CV     1
 OR { 1985}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1986}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      4.500     2.500     1.500 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.40372E-03 ppm1      0.975 ppm2      2.078 CV     1
 OR { 1986}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 1987}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 43   and name HB2 ))
      2.900     2.900     3.100 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.49461E-03 ppm1      0.975 ppm2      1.886 CV     1
 OR { 1987}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
 ASSI { 1989}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
      3.500     1.600     1.600 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.15012E-02 ppm1      0.634 ppm2      1.486 CV     1
 OR { 1989}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1989}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR { 1989}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1994}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      4.900     3.000     1.100 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.38357E-03 ppm1      3.267 ppm2      1.082 CV     1
 OR { 1994}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 1994}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 1994}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 1995}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      2.200     0.600     0.600 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.11927E-01 ppm1      3.267 ppm2      0.876 CV     1
 OR { 1995}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1995}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1996}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
      2.700     0.900     0.900 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.33617E-02 ppm1      3.268 ppm2      0.596 CV     1
 OR { 1996}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 1996}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1996}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 1999}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      4.400     2.400     1.600 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.47592E-03 ppm1      3.271 ppm2      4.092 CV     1
 OR { 1999}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
 OR { 1999}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
 OR { 1999}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 2000}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      4.200     2.200     1.800 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.68417E-03 ppm1      3.264 ppm2      3.934 CV     1
 OR { 2000}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2006}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.20784E-03 ppm1      0.887 ppm2      7.345 CV     1
 OR { 2006}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 2007}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.900     0.900 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.45329E-02 ppm1      0.848 ppm2      1.690 CV     1
 OR { 2007}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HD2 ))
 OR { 2007}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HD1 ))
 OR { 2007}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2013}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.20273E-02 ppm1      3.913 ppm2      8.814 CV     1
 OR { 2013}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2015}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.42308E-02 ppm1      3.912 ppm2      2.061 CV     1
 OR { 2015}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2019}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.42448E-02 ppm1      2.040 ppm2      4.048 CV     1
 OR { 2019}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
 OR { 2019}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
 OR { 2019}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2020}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 50   and name HN  ))
      4.700     2.700     1.300 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.52685E-03 ppm1      2.047 ppm2      8.816 CV     1
 OR { 2020}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
 OR { 2020}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2021}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.700     2.800     1.300 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.41781E-03 ppm1      3.911 ppm2      1.474 CV     1
 OR { 2021}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2027}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      4.900     3.000     1.100 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.50195E-03 ppm1      1.089 ppm2      8.815 CV     1
 OR { 2027}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2030}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.33109E-02 ppm1      1.092 ppm2      4.057 CV     1
 OR { 2030}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 2030}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2031}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
      3.400     1.500     1.500 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.13894E-02 ppm1      1.097 ppm2      2.444 CV     1
 OR { 2031}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HG1 ))
 ASSI { 2033}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      4.300     2.300     1.700 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.11392E-02 ppm1      1.092 ppm2      1.500 CV     1
 OR { 2033}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 OR { 2033}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2035}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      4.100     2.100     1.900 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.63094E-03 ppm1      4.222 ppm2      8.216 CV     1
 OR { 2035}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2037}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.31758E-03 ppm1      1.504 ppm2      8.065 CV     1
 OR { 2037}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2053}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      4.800     2.800     1.200 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.21410E-03 ppm1      1.451 ppm2      3.417 CV     1
 OR { 2053}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
 OR { 2053}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 2054}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HG1 ))
      4.300     2.400     1.700 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.42114E-03 ppm1      1.450 ppm2      2.816 CV     1
 OR { 2054}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HD1 ))
 ASSI { 2055}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.600     2.700     1.400 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.34920E-03 ppm1      3.929 ppm2      2.698 CV     1
 OR { 2055}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 2056}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      5.500     3.700     0.500 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.24028E-03 ppm1      3.926 ppm2      2.851 CV     1
 OR { 2056}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HD1 ))
 ASSI { 2057}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
      4.100     2.100     1.900 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.61254E-03 ppm1      1.451 ppm2      2.089 CV     1
 OR { 2057}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2057}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2058}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
      4.500     2.500     1.500 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.39085E-03 ppm1      1.451 ppm2      2.268 CV     1
 OR { 2058}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 ASSI { 2059}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      5.300     3.500     0.700 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.37969E-03 ppm1      1.455 ppm2      2.462 CV     1
 OR { 2059}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 2060}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.200     2.200     1.800 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.43515E-03 ppm1      3.929 ppm2      2.097 CV     1
 OR { 2060}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 2060}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2061}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
      5.200     3.400     0.800 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.33280E-03 ppm1      3.930 ppm2      1.981 CV     1
 OR { 2061}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
 OR { 2061}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 OR { 2061}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2063}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.900     1.100     1.100 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.35835E-02 ppm1      3.928 ppm2      1.062 CV     1
 OR { 2063}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 OR { 2063}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 2064}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.12509E-02 ppm1      3.927 ppm2      0.860 CV     1
 OR { 2064}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 2064}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2064}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2064}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2064}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2066}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
      5.300     3.500     0.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.17678E-03 ppm1      3.929 ppm2      0.591 CV     1
 OR { 2066}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 2066}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2066}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2067}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 11   and name HD2%)
      2.800     0.900     0.900 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.48979E-02 ppm1      1.453 ppm2      0.858 CV     1
 OR { 2067}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 47   and name HG2%)
 OR { 2067}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 76   and name HG12))
 OR { 2067}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 47   and name HG1%)
 OR { 2067}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
 OR { 2067}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 63   and name HG2%)
 OR { 2067}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 2068}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      3.000     1.100     1.100 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.24448E-02 ppm1      1.453 ppm2      0.718 CV     1
 OR { 2068}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H7B ))
 OR { 2068}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 40   and name H7A ))
 ASSI { 2069}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.400     0.700     0.700 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.73962E-02 ppm1      1.454 ppm2      0.598 CV     1
 OR { 2069}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 58   and name HD1%)
 OR { 2069}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 46   and name HG1%)
 OR { 2069}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2070}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
      4.500     2.500     1.500 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.55492E-03 ppm1      1.454 ppm2      1.990 CV     1
 OR { 2070}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 76   and name HG11))
 OR { 2070}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HG11))
 OR { 2070}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 56   and name HB  ))
 OR { 2070}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 2072}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
      3.600     1.600     1.600 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      1.455 ppm2      4.207 CV     1
 OR { 2072}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
 OR { 2072}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2084}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 56   and name HB  ))
      4.500     2.500     1.500 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.34629E-03 ppm1      2.717 ppm2      1.994 CV     1
 OR { 2084}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HG11))
 OR { 2084}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 2084}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 63   and name HB  ))
 ASSI { 2085}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 56   and name HB  ))
      4.000     2.000     2.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.57367E-03 ppm1      3.415 ppm2      1.998 CV     1
 OR { 2085}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2086}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.500     2.600     1.500 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.69079E-03 ppm1      2.716 ppm2      1.054 CV     1
 OR { 2086}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 2086}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 73   and name HG2%)
 OR { 2086}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2086}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 2087}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
      2.800     1.000     1.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.20974E-02 ppm1      2.717 ppm2      0.929 CV     1
 OR { 2087}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2087}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2089}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.41248E-02 ppm1      3.416 ppm2      0.521 CV     1
 OR { 2089}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2090}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.000     1.200     1.200 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.25943E-02 ppm1      2.717 ppm2      0.526 CV     1
 OR { 2090}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2091}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      3.300     1.400     1.400 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.15809E-02 ppm1      2.716 ppm2      0.612 CV     1
 OR { 2091}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2091}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2091}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 2092}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
      4.000     2.000     2.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.86114E-03 ppm1      3.415 ppm2      0.616 CV     1
 OR { 2092}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2092}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2100}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.500     2.500     1.500 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.37435E-03 ppm1      1.994 ppm2      3.576 CV     1
 OR { 2100}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 2101}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      4.900     3.000     1.100 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.22665E-03 ppm1      1.990 ppm2      3.483 CV     1
 OR { 2101}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 2102}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.500     2.600     1.500 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.31002E-03 ppm1      1.987 ppm2      2.713 CV     1
 OR { 2102}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 2103}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      3.800     1.800     1.800 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.59628E-03 ppm1      1.985 ppm2      0.524 CV     1
 OR { 2103}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2106}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      4.900     3.000     1.100 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.42047E-03 ppm1      1.989 ppm2      0.593 CV     1
 OR { 2106}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 2106}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2111}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      4.900     3.000     1.100 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.36116E-03 ppm1      0.955 ppm2      7.456 CV     1
 OR { 2111}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2112}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      4.200     2.200     1.800 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.67896E-03 ppm1      0.955 ppm2      7.699 CV     1
 OR { 2112}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 2112}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE21))
 OR { 2112}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 2116}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
      5.200     3.300     0.800 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.33041E-03 ppm1      0.910 ppm2      7.690 CV     1
 OR { 2116}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HE22))
 OR { 2116}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2120}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.82020E-03 ppm1      0.954 ppm2      6.814 CV     1
 OR { 2120}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HD21))
 ASSI { 2122}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.26146E-02 ppm1      0.908 ppm2      4.170 CV     1
 OR { 2122}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2123}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.500     1.500 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.17285E-02 ppm1      0.956 ppm2      4.173 CV     1
 OR { 2123}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
 OR { 2123}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
 OR { 2123}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2128}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.14642E-02 ppm1      0.910 ppm2      2.490 CV     1
 OR { 2128}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2128}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2132}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      3.300     1.300     1.300 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.32640E-02 ppm1      0.955 ppm2      2.723 CV     1
 OR { 2132}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 2133}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.500     1.500 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.16384E-02 ppm1      0.955 ppm2      2.491 CV     1
 OR { 2133}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2133}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2134}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HB2 ))
      4.100     2.100     1.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.10183E-02 ppm1      0.908 ppm2      2.127 CV     1
 OR { 2134}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2136}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 51   and name HG2 ))
      3.400     1.400     1.400 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.17688E-02 ppm1      0.908 ppm2      2.304 CV     1
 OR { 2136}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 2137}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 57   and name HB2 ))
      3.900     1.900     1.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.14687E-02 ppm1      0.911 ppm2      1.688 CV     1
 OR { 2137}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2137}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2139}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 76   and name HG2%)
      3.000     1.200     1.200 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.10832E-02 ppm1      0.906 ppm2      0.523 CV     1
 OR { 2139}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2140}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 76   and name HG2%)
      3.500     1.500     1.500 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.12216E-02 ppm1      0.956 ppm2      0.517 CV     1
 OR { 2140}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2150}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 63   and name HB  ))
      4.300     2.400     1.700 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.65535E-03 ppm1      1.680 ppm2      1.974 CV     1
 OR { 2150}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 2150}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2150}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 56   and name HB  ))
 OR { 2150}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 2153}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      4.900     3.100     1.100 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.28608E-03 ppm1      4.440 ppm2      0.909 CV     1
 OR { 2153}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2153}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2153}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2156}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      2.500     0.800     0.800 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.51573E-02 ppm1      1.677 ppm2      0.606 CV     1
 OR { 2156}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI { 2157}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
      2.600     0.800     0.800 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.53749E-02 ppm1      1.678 ppm2      0.852 CV     1
 OR { 2157}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 2157}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 2157}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 2157}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 2179}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      5.300     3.600     0.700 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.12094E-03 ppm1      0.603 ppm2      7.455 CV     1
 OR { 2179}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2181}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      4.400     2.400     1.600 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.54803E-03 ppm1      0.271 ppm2      7.479 CV     1
 OR { 2181}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2182}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      5.500     3.800     0.500 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.19045E-03 ppm1      0.267 ppm2      7.098 CV     1
 OR { 2182}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 2183}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.17668E-02 ppm1      0.269 ppm2      7.700 CV     1
 OR { 2183}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2184}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.12685E-03 ppm1      0.601 ppm2      8.542 CV     1
 OR { 2184}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2185}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.200     1.200 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.33807E-03 ppm1      0.600 ppm2      8.817 CV     1
 OR { 2185}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2191}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.30514E-02 ppm1      0.270 ppm2      2.375 CV     1
 OR { 2191}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2191}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 2192}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
      4.600     2.700     1.400 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.32085E-03 ppm1      0.269 ppm2      2.235 CV     1
 OR { 2192}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 2193}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
      2.600     0.800     0.800 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.31023E-02 ppm1      0.269 ppm2      1.958 CV     1
 OR { 2193}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2193}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 OR { 2193}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 2196}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      3.600     1.600     1.600 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.77681E-03 ppm1      0.602 ppm2      1.985 CV     1
 OR { 2196}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 56   and name HB  ))
 OR { 2196}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 63   and name HB  ))
 ASSI { 2197}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      5.200     3.400     0.800 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.13110E-03 ppm1      0.605 ppm2      2.466 CV     1
 OR { 2197}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 2198}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HG2 ))
      3.000     1.100     1.100 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.58716E-03 ppm1      0.600 ppm2      2.285 CV     1
 OR { 2198}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 2200}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 56   and name HG2%)
      2.600     0.900     0.900 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.23773E-02 ppm1      1.538 ppm2      0.918 CV     1
 OR { 2200}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 56   and name HG1%)
 OR { 2200}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2205}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
      5.500     3.800     0.500 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.21525E-03 ppm1      3.187 ppm2      4.489 CV     1
 OR { 2205}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
 OR { 2205}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2207}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.300     1.300 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.13407E-02 ppm1      1.952 ppm2      4.188 CV     1
 OR { 2207}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 2207}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 2207}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 2210}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.500     2.500     1.500 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.99039E-03 ppm1      3.192 ppm2      2.214 CV     1
 OR { 2210}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
 ASSI { 2214}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
      2.200     0.600     0.600 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.92213E-02 ppm1      3.192 ppm2      0.853 CV     1
 OR { 2214}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
 OR { 2214}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR { 2214}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2214}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 2216}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      3.600     1.600     1.600 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.12694E-02 ppm1      3.191 ppm2      0.604 CV     1
 OR { 2216}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 2216}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 2216}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 2223}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 62   and name HN  ))
      4.800     2.900     1.200 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.40255E-03 ppm1      0.836 ppm2      7.480 CV     1
 OR { 2223}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 62   and name HN  ))
 OR { 2223}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 OR { 2223}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 OR { 2223}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
 OR { 2223}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 62   and name HN  ))
 OR { 2223}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2227}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.29943E-02 ppm1      0.831 ppm2      4.188 CV     1
 OR { 2227}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
 OR { 2227}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2228}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      3.800     1.800     1.800 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.68850E-03 ppm1      0.832 ppm2      4.073 CV     1
 OR { 2228}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 OR { 2228}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
 OR { 2228}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 6    and name HA  ))
 OR { 2228}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 10   and name HA1 ))
 OR { 2228}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
 OR { 2228}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 2229}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.700     1.700 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.10680E-02 ppm1      0.852 ppm2      3.951 CV     1
 OR { 2229}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H3A ))
 OR { 2229}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 50   and name HA  ))
 OR { 2229}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H3A ))
 ASSI { 2230}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H2A ))
      3.100     1.200     1.200 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.20464E-02 ppm1      0.832 ppm2      2.580 CV     1
 OR { 2230}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H2B ))
 OR { 2230}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2230}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
 OR { 2230}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 60   and name HB2 ))
 OR { 2230}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 2234}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 59   and name HB1 ))
      3.400     1.500     1.500 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.72947E-03 ppm1      0.850 ppm2      2.356 CV     1
 OR { 2234}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2234}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2234}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 62   and name HB1 ))
 OR { 2234}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2234}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 26   and name HB  ))
 OR { 2234}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 2235}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HB  ))
      2.300     0.700     0.700 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.55172E-02 ppm1      0.831 ppm2      1.960 CV     1
 OR { 2235}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HB  ))
 OR { 2235}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 63   and name HB  ))
 ASSI { 2254}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
      2.600     0.800     0.800 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.23701E-02 ppm1      2.214 ppm2      0.603 CV     1
 OR { 2254}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 40   and name H8% )
 ASSI { 2262}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
      4.200     2.200     1.800 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.20452E-03 ppm1      0.391 ppm2      7.100 CV     1
 OR { 2262}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 2263}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      3.800     1.800     1.800 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.84966E-03 ppm1      0.389 ppm2      6.806 CV     1
 OR { 2263}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 2268}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 72   and name HA  ))
      5.400     3.600     0.600 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.24337E-03 ppm1      1.785 ppm2      4.089 CV     1
 OR { 2268}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 2269}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
      2.500     0.800     0.800 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.63970E-02 ppm1      0.596 ppm2      4.490 CV     1
 OR { 2269}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2278}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
      4.800     2.800     1.200 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.68391E-03 ppm1      0.596 ppm2      8.551 CV     1
 OR { 2278}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2279}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
      5.100     3.300     0.900 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.22102E-03 ppm1      0.387 ppm2      8.540 CV     1
 OR { 2279}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2283}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      3.400     1.400     1.400 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      0.389 ppm2      3.097 CV     1
 OR { 2283}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 2283}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2291}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
      4.800     2.800     1.200 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.24231E-03 ppm1      0.596 ppm2      1.978 CV     1
 OR { 2291}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2292}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 72   and name HB% )
      4.000     2.000     2.000 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.13757E-02 ppm1      0.593 ppm2      1.568 CV     1
 OR { 2292}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 58   and name HG11))
 ASSI { 2306}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.14352E-02 ppm1      1.034 ppm2      8.366 CV     1
 OR { 2306}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
 OR { 2306}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2307}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      3.000     1.200     1.200 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.13117E-02 ppm1      4.328 ppm2      8.380 CV     1
 OR { 2307}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2324}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.500     1.500 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.13029E-02 ppm1      1.032 ppm2      4.469 CV     1
 OR { 2324}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
 OR { 2324}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2328}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HE2 ))
      4.000     2.000     2.000 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.75657E-03 ppm1      1.032 ppm2      3.079 CV     1
 OR { 2328}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HE1 ))
 OR { 2328}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2330}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
      2.900     1.000     1.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.46111E-02 ppm1      1.033 ppm2      2.050 CV     1
 OR { 2330}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2332}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      5.200     3.400     0.800 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.34813E-03 ppm1      1.031 ppm2      0.405 CV     1
 OR { 2332}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 2337}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      4.700     2.800     1.300 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.20943E-03 ppm1      3.367 ppm2      8.381 CV     1
 OR { 2337}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 2339}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      2.300     0.700     0.700 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.76352E-02 ppm1      0.416 ppm2      8.131 CV     1
 OR { 2339}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2340}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 29   and name HN  ))
      5.100     3.300     0.900 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.43518E-03 ppm1      0.415 ppm2      8.376 CV     1
 OR { 2340}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 2354}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HA  ))
      3.200     3.200     2.800 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.28233E-03 ppm1      0.422 ppm2      4.628 CV     1
 OR { 2354}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2355}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.10139E-02 ppm1      0.417 ppm2      4.343 CV     1
 OR { 2355}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2357}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.23698E-02 ppm1      0.417 ppm2      3.546 CV     1
 OR { 2357}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 2362}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      4.900     3.000     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.42913E-03 ppm1      2.258 ppm2      7.501 CV     1
 OR { 2362}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2367}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      2.700     0.900     0.900 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.36711E-02 ppm1      3.371 ppm2      1.567 CV     1
 OR { 2367}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 2368}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
      1.900     0.500     0.500 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.13416E-01 ppm1      0.630 ppm2      2.270 CV     1
 OR { 2368}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 2371}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.000     3.000     3.000 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.46654E-03 ppm1      0.630 ppm2      8.884 CV     1
 OR { 2371}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 2372}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.89535E-03 ppm1      0.630 ppm2      8.408 CV     1
 OR { 2372}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
 OR { 2372}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 2373}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.11020E-02 ppm1      0.630 ppm2      8.638 CV     1
 OR { 2373}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 2377}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      3.000     1.100     1.100 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.16212E-02 ppm1      0.633 ppm2      6.976 CV     1
 OR { 2377}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
 ASSI { 2378}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
      3.600     1.600     1.600 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10862E-02 ppm1      0.630 ppm2      6.858 CV     1
 OR { 2378}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 2381}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      3.100     3.100     2.900 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.35806E-03 ppm1      0.625 ppm2      4.607 CV     1
 OR { 2381}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2384}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.200     2.200     1.800 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.93377E-03 ppm1      0.627 ppm2      4.181 CV     1
 OR { 2384}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
 OR { 2384}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 51   and name HA  ))
 OR { 2384}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2386}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      1.900     0.500     0.500 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.58680E-02 ppm1      0.628 ppm2      3.566 CV     1
 OR { 2386}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2392}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 26   and name HG1%)
      2.200     0.600     0.600 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.77011E-02 ppm1      0.416 ppm2      0.728 CV     1
 OR { 2392}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 36   and name HD2%)
 ASSI { 2403}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.32205E-03 ppm1      3.985 ppm2      4.476 CV     1
 OR { 2403}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2406}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 71   and name HA  ))
      4.200     2.200     1.800 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.36630E-03 ppm1      3.778 ppm2      4.478 CV     1
 OR { 2406}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 2415}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 68   and name HG2%)
      4.200     2.200     1.800 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10120E-02 ppm1      3.990 ppm2      1.078 CV     1
 OR { 2415}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2417}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 73   and name HG2%)
      3.800     1.800     1.800 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.99702E-03 ppm1      3.768 ppm2      1.078 CV     1
 OR { 2417}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2424}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.64614E-03 ppm1      4.095 ppm2      8.534 CV     1
 OR { 2424}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2435}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      4.400     2.400     1.600 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.65054E-03 ppm1      4.092 ppm2      6.810 CV     1
 OR { 2435}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 2436}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 71   and name HA  ))
      4.800     2.900     1.200 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.19129E-03 ppm1      1.555 ppm2      4.490 CV     1
 OR { 2436}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2439}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HB2 ))
      4.100     2.100     1.900 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.74176E-03 ppm1      1.559 ppm2      3.092 CV     1
 OR { 2439}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 71   and name HB1 ))
 OR { 2439}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 2440}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
      3.100     1.200     1.200 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.18956E-02 ppm1      1.560 ppm2      3.379 CV     1
 OR { 2440}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 2441}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.42502E-02 ppm1      4.095 ppm2      3.106 CV     1
 OR { 2441}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 2441}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2444}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
      4.800     2.900     1.200 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.28123E-03 ppm1      1.557 ppm2      2.010 CV     1
 OR { 2444}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2446}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      3.800     1.800     1.800 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.48025E-03 ppm1      4.094 ppm2      1.970 CV     1
 OR { 2446}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
 OR { 2446}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 2447}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      4.600     2.600     1.400 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.63566E-03 ppm1      4.096 ppm2      1.789 CV     1
 OR { 2447}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 2449}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      2.500     0.800     0.800 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.58926E-02 ppm1      4.095 ppm2      0.604 CV     1
 OR { 2449}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2449}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 2449}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2450}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
      5.000     3.200     1.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.23006E-03 ppm1      4.095 ppm2      1.084 CV     1
 OR { 2450}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 2450}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2451}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.23863E-02 ppm1      4.095 ppm2      0.882 CV     1
 OR { 2451}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 2451}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2453}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 76   and name HD1%)
      2.500     0.800     0.800 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.45836E-02 ppm1      1.558 ppm2      0.591 CV     1
 OR { 2453}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 40   and name H8% )
 OR { 2453}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H6A ))
 OR { 2453}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H6B ))
 OR { 2453}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 66   and name HD2%)
 ASSI { 2457}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.400     1.400 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.87488E-03 ppm1      3.654 ppm2      8.524 CV     1
 OR { 2457}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2462}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.27436E-02 ppm1      1.087 ppm2      8.377 CV     1
 OR { 2462}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2465}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.46283E-03 ppm1      1.089 ppm2      8.507 CV     1
 OR { 2465}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2471}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HE21))
      4.000     2.000     2.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.34638E-03 ppm1      1.086 ppm2      6.822 CV     1
 OR { 2471}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
 ASSI { 2472}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      1.087 ppm2      3.921 CV     1
 OR { 2472}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 OR { 2472}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2478}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
      3.700     1.700     1.700 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.22253E-02 ppm1      1.088 ppm2      1.997 CV     1
 OR { 2478}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 OR { 2478}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
 OR { 2478}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2481}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.500     0.800     0.800 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      3.655 ppm2      1.763 CV     1
 OR { 2481}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 2482}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      4.700     2.800     1.300 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.21052E-03 ppm1      3.659 ppm2      2.002 CV     1
 OR { 2482}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 OR { 2482}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
 OR { 2482}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 2486}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HG1 ))
      4.800     2.900     1.200 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.38360E-03 ppm1      4.161 ppm2      1.427 CV     1
 OR { 2486}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HG2 ))
 OR { 2486}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2487}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.000     0.500     0.500 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.73228E-02 ppm1      1.087 ppm2      1.759 CV     1
 OR { 2487}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
 OR { 2487}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 2489}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG1 ))
      5.200     3.400     0.800 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.21408E-03 ppm1      1.088 ppm2      1.414 CV     1
 OR { 2489}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG2 ))
 OR { 2489}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2491}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.000     0.500     0.500 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.72546E-02 ppm1      3.655 ppm2      0.537 CV     1
 OR { 2491}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 2491}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2493}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 11   and name HD1%)
      3.300     1.400     1.400 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.21686E-02 ppm1      4.163 ppm2      0.798 CV     1
 OR { 2493}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 2494}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
      2.900     1.000     1.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.62286E-02 ppm1      1.082 ppm2      0.800 CV     1
 OR { 2494}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
 OR { 2494}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2495}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      2.000     0.500     0.500 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.11463E-01 ppm1      1.086 ppm2      0.530 CV     1
 OR { 2495}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 OR { 2495}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2509}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.000     2.000     2.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.65836E-03 ppm1      4.206 ppm2      1.958 CV     1
 OR { 2509}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2510}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.700     1.700     1.700 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.10327E-02 ppm1      4.205 ppm2      2.205 CV     1
 OR { 2510}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 2511}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.900     1.000     1.000 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.23785E-02 ppm1      4.206 ppm2      2.516 CV     1
 OR { 2511}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2513}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.200     2.300     1.800 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.63967E-03 ppm1      4.205 ppm2      1.741 CV     1
 OR { 2513}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 2513}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 2514}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      6.000     5.500     0.000 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.10928E-03 ppm1      4.206 ppm2      0.604 CV     1
 OR { 2514}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2516}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
      2.400     0.700     0.700 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.42816E-02 ppm1      3.099 ppm2      0.604 CV     1
 OR { 2516}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 2516}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2518}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      4.400     2.400     1.600 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.29150E-03 ppm1      4.205 ppm2      7.699 CV     1
 OR { 2518}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2520}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.900     1.900     1.900 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.58425E-03 ppm1      3.483 ppm2      7.852 CV     1
 OR { 2520}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2522}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.300     1.300 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.11727E-02 ppm1      3.483 ppm2      7.701 CV     1
 OR { 2522}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 OR { 2522}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2535}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 54   and name HD% )
      5.700     4.100     0.300 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.18025E-03 ppm1      1.975 ppm2      7.457 CV     1
 OR { 2535}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2544}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      4.000     2.000     2.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.84727E-03 ppm1      3.489 ppm2      3.865 CV     1
 OR { 2544}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 2547}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.500     3.800     0.500 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.15622E-03 ppm1      3.485 ppm2      2.141 CV     1
 OR { 2547}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 2548}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.300     0.700     0.700 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.67411E-02 ppm1      3.483 ppm2      0.520 CV     1
 OR { 2548}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2549}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.300     1.400     1.400 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.20139E-02 ppm1      3.483 ppm2      0.632 CV     1
 OR { 2549}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2551}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      1.700     0.400     0.500 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.16131E-01 ppm1      1.756 ppm2      0.525 CV     1
 OR { 2551}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2551}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 2551}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 2551}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2552}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 76   and name HD1%)
      2.100     0.600     0.600 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.68782E-02 ppm1      1.981 ppm2      0.611 CV     1
 OR { 2552}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2553}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 76   and name HG2%)
      3.300     1.400     1.400 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.25024E-02 ppm1      1.982 ppm2      0.526 CV     1
 OR { 2553}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 7    and name HG2%)
 OR { 2553}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2554}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 76   and name HG2%)
      2.300     0.700     0.700 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.33707E-02 ppm1      0.898 ppm2      0.526 CV     1
 OR { 2554}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2555}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 76   and name HD1%)
      2.000     0.500     0.500 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.78741E-02 ppm1      0.898 ppm2      0.610 CV     1
 OR { 2555}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2559}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      4.300     2.300     1.700 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.46515E-03 ppm1      0.516 ppm2      7.843 CV     1
 OR { 2559}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2565}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      3.200     1.300     1.300 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.27850E-03 ppm1      0.605 ppm2      6.811 CV     1
 OR { 2565}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 2568}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      5.100     3.200     0.900 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.28366E-03 ppm1      0.515 ppm2      4.845 CV     1
 OR { 2568}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
 ASSI { 2570}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      4.700     2.800     1.300 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.60918E-03 ppm1      0.511 ppm2      3.660 CV     1
 OR { 2570}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 2571}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.15448E-02 ppm1      0.513 ppm2      3.881 CV     1
 OR { 2571}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 2573}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.100     1.100 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.53193E-03 ppm1      0.603 ppm2      3.908 CV     1
 OR { 2573}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
 OR { 2573}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR { 2573}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2577}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
      4.000     2.000     2.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.12376E-02 ppm1      0.513 ppm2      2.131 CV     1
 OR { 2577}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 2579}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      3.100     1.200     1.200 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.23323E-02 ppm1      0.514 ppm2      2.719 CV     1
 OR { 2579}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 2587}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 2    and name HB% )
      3.700     1.700     1.700 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.19820E-02 ppm1      0.512 ppm2      1.537 CV     1
 OR { 2587}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2588}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      2.500     2.500     3.500 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.12251E-02 ppm1      0.603 ppm2      1.070 CV     1
 OR { 2588}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 8    and name HG2%)
 OR { 2588}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
 OR { 2588}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 2605}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      4.800     2.800     1.200 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.20659E-03 ppm1      1.733 ppm2      4.364 CV     1
 OR { 2605}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2606}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      5.600     3.900     0.400 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.20493E-03 ppm1      1.654 ppm2      4.353 CV     1
 OR { 2606}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2610}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      2.800     1.000     1.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.34629E-02 ppm1      3.877 ppm2      2.693 CV     1
 OR { 2610}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 2612}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.500     2.600     1.500 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.48472E-03 ppm1      3.872 ppm2      2.144 CV     1
 OR { 2612}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 OR { 2612}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 2613}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 7    and name HD1%)
      3.300     1.400     1.400 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.26154E-02 ppm1      1.603 ppm2      0.512 CV     1
 OR { 2613}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 2613}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2616}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      2.500     0.800     0.800 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.54131E-02 ppm1      3.872 ppm2      0.512 CV     1
 OR { 2616}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2616}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2617}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.200     0.600     0.600 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.10115E-01 ppm1      3.875 ppm2      0.817 CV     1
 OR { 2617}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR { 2617}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2622}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.300     3.300     2.700 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.24422E-03 ppm1      0.803 ppm2      8.381 CV     1
 OR { 2622}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
 OR { 2622}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
 OR { 2622}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2623}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE21))
      3.600     1.600     1.600 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.29511E-02 ppm1      0.802 ppm2      7.686 CV     1
 OR { 2623}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HE21))
 OR { 2623}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
 OR { 2623}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 2623}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2624}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HE22))
      4.000     2.000     2.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.22934E-03 ppm1      0.801 ppm2      7.500 CV     1
 OR { 2624}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HE22))
 OR { 2624}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 OR { 2624}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2625}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HE21))
      3.600     1.700     1.700 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.20568E-03 ppm1      0.801 ppm2      6.816 CV     1
 OR { 2625}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HE21))
 OR { 2625}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 75   and name HD% )
 OR { 2625}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
 ASSI { 2626}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      3.600     1.700     1.700 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.10778E-02 ppm1      0.801 ppm2      4.418 CV     1
 OR { 2626}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 2630}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.500     2.500     3.500 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.18966E-02 ppm1      0.802 ppm2      2.010 CV     1
 OR { 2630}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
 OR { 2630}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 56   and name HB  ))
 OR { 2630}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 2652}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 54   and name HB2 ))
      5.400     3.700     0.600 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.12365E-03 ppm1      0.849 ppm2      2.711 CV     1
 OR { 2652}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR { 2652}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 53   and name HD2 ))
 OR { 2652}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2652}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2652}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
 OR { 2652}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 2653}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      6.000     6.000     0.000 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.15860E-04 ppm1      0.849 ppm2      2.891 CV     1
 OR { 2653}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
 OR { 2653}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2653}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 53   and name HD1 ))
 OR { 2653}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
 OR { 2653}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2653}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
 ASSI { 2654}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H43A))
      3.400     1.500     1.500 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      0.830 ppm2      2.898 CV     1
 OR { 2654}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H43B))
 OR { 2654}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 40   and name H43A))
 OR { 2654}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 40   and name H43B))
 OR { 2654}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2656}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 54   and name HD% )
      5.500     3.800     0.500 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.49012E-03 ppm1      2.032 ppm2      7.499 CV     1
 OR { 2656}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2662}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.300     1.300 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.14634E-02 ppm1      4.107 ppm2      8.312 CV     1
 OR { 2662}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 2665}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.700     2.800     1.300 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.39971E-03 ppm1      4.145 ppm2      8.290 CV     1
 OR { 2665}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 2665}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H41A))
 ASSI { 2666}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.400     2.400     1.600 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.58480E-03 ppm1      4.097 ppm2      8.294 CV     1
 OR { 2666}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 OR { 2666}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 2666}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 2676}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 41   and name HD1%)
      3.800     1.800     1.800 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.15531E-02 ppm1      4.133 ppm2      0.869 CV     1
 OR { 2676}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 2676}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H30%)
 OR { 2676}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H30%)
 OR { 2676}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H31%)
 ASSI {    1}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      2.700     0.900     0.900 peak     1 spectrum    1 weight  0.10000E+01 volume  0.21101E-02 ppm1      8.851 ppm2      7.668 CV     1
 OR {    1}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI {    9}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.800     4.200     0.200 peak     9 spectrum    1 weight  0.10000E+01 volume  0.23739E-03 ppm1      8.852 ppm2      2.129 CV     1
 OR {    9}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   12}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.600     1.600     1.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.52426E-03 ppm1      8.851 ppm2      0.512 CV     1
 OR {   12}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {   12}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   17}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak    17 spectrum    1 weight  0.10000E+01 volume  0.10040E-02 ppm1      8.551 ppm2      7.685 CV     1
 OR {   17}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 OR {   17}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {   23}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      5.200     3.400     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.23071E-03 ppm1      8.550 ppm2      0.520 CV     1
 OR {   23}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {   23}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {   25}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.19394E-02 ppm1      8.550 ppm2      2.097 CV     1
 OR {   25}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   25}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {   30}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      5.600     3.900     0.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.12690E-03 ppm1      9.238 ppm2      8.537 CV     1
 OR {   30}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {   31}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.600     2.700     1.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.34234E-03 ppm1      9.231 ppm2      8.377 CV     1
 OR {   31}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {   33}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.600     2.600     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.44908E-03 ppm1      9.235 ppm2      7.684 CV     1
 OR {   33}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
 OR {   33}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {   34}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      5.300     3.500     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.24742E-03 ppm1      9.233 ppm2      3.913 CV     1
 OR {   34}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 OR {   34}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {   41}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      6.000     5.000     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.92235E-04 ppm1      9.232 ppm2      1.753 CV     1
 OR {   41}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {   41}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {   61}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      5.700     4.100     0.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.91175E-04 ppm1      8.862 ppm2      1.522 CV     1
 OR {   61}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 OR {   61}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 9    and name HB% )
 ASSI {   63}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      5.100     3.200     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.21939E-03 ppm1      8.856 ppm2      1.044 CV     1
 OR {   63}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {   64}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      5.000     3.100     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.34994E-03 ppm1      8.855 ppm2      0.808 CV     1
 OR {   64}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {   64}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   72}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.48449E-02 ppm1      7.685 ppm2      8.388 CV     1
 OR {   72}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {   74}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.44459E-03 ppm1      7.698 ppm2      8.653 CV     1
 OR {   74}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {   80}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      5.700     4.000     0.300 peak    80 spectrum    1 weight  0.10000E+01 volume  0.92365E-04 ppm1      7.687 ppm2      4.411 CV     1
 OR {   80}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {   88}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.700     1.700     1.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.12717E-02 ppm1      7.685 ppm2      1.532 CV     1
 OR {   88}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 9    and name HB% )
 OR {   88}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {   89}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      4.500     2.600     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.46253E-03 ppm1      7.686 ppm2      1.356 CV     1
 OR {   89}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
 OR {   89}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI {   90}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.600     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.14070E-03 ppm1      7.684 ppm2      1.050 CV     1
 OR {   90}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 OR {   90}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 OR {   90}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI {   92}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      5.100     3.200     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.46777E-03 ppm1      7.683 ppm2      0.521 CV     1
 OR {   92}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {   92}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI {   97}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.200     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.38971E-03 ppm1      8.385 ppm2      8.864 CV     1
 OR {   97}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {   98}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.900     3.000     1.100 peak    98 spectrum    1 weight  0.10000E+01 volume  0.21459E-03 ppm1      8.385 ppm2      9.231 CV     1
 OR {   98}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  100}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.300     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.43528E-02 ppm1      8.387 ppm2      7.688 CV     1
 OR {  100}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 OR {  100}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {  104}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.500     1.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.10911E-02 ppm1      8.387 ppm2      3.686 CV     1
 OR {  104}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  106}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.84387E-03 ppm1      8.387 ppm2      4.123 CV     1
 OR {  106}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  107}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      5.400     3.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.18237E-03 ppm1      8.385 ppm2      3.375 CV     1
 OR {  107}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  111}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      1.900     0.400     0.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.60585E-02 ppm1      8.388 ppm2      1.529 CV     1
 OR {  111}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  113}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.200     2.200     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.12054E-02 ppm1      8.392 ppm2      1.068 CV     1
 OR {  113}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  125}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.62822E-03 ppm1      8.370 ppm2      3.679 CV     1
 OR {  125}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  126}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.700     2.700     1.300 peak   126 spectrum    1 weight  0.10000E+01 volume  0.50586E-03 ppm1      8.368 ppm2      4.187 CV     1
 OR {  126}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  130}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.500     2.600     1.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.36181E-03 ppm1      8.371 ppm2      9.236 CV     1
 OR {  130}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  141}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      5.000     3.100     1.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.17960E-03 ppm1      7.718 ppm2      2.316 CV     1
 OR {  141}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  141}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  141}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  142}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.400     3.400     2.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.20927E-03 ppm1      7.720 ppm2      2.504 CV     1
 OR {  142}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
 ASSI {  146}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.200     2.200     1.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.49387E-03 ppm1      7.720 ppm2      4.095 CV     1
 OR {  146}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  175}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.900     3.000     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.41018E-03 ppm1      8.386 ppm2      2.103 CV     1
 OR {  175}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  188}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.400     2.500     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.32014E-03 ppm1      9.230 ppm2      8.169 CV     1
 OR {  188}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  197}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      5.300     3.500     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.18834E-03 ppm1      9.226 ppm2      2.273 CV     1
 OR {  197}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  197}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 OR {  197}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 OR {  197}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  204}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.400     1.500     1.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.23246E-02 ppm1      9.226 ppm2      0.854 CV     1
 OR {  204}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  204}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  205}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.300     1.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.36763E-03 ppm1      9.226 ppm2      0.714 CV     1
 OR {  205}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  205}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 ASSI {  206}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.300     2.300     1.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.67498E-03 ppm1      9.226 ppm2      0.544 CV     1
 OR {  206}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  206}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  207}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.300     2.300     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.87459E-03 ppm1      8.339 ppm2      0.605 CV     1
 OR {  207}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  207}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 OR {  207}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI {  209}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
      4.300     2.300     1.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.59052E-03 ppm1      8.342 ppm2      1.042 CV     1
 OR {  209}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 OR {  209}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  213}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
      4.300     2.300     1.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.53306E-03 ppm1      8.340 ppm2      1.751 CV     1
 OR {  213}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 OR {  213}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  216}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HE1 ))
      3.900     1.900     1.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.14329E-02 ppm1      8.339 ppm2      3.082 CV     1
 OR {  216}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 OR {  216}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI {  218}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.41730E-02 ppm1      8.339 ppm2      4.479 CV     1
 OR {  218}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  247}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
      4.900     2.900     1.100 peak   247 spectrum    1 weight  0.10000E+01 volume  0.23469E-03 ppm1      7.676 ppm2      1.058 CV     1
 OR {  247}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 OR {  247}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  248}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.17335E-02 ppm1      7.681 ppm2      0.882 CV     1
 OR {  248}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  251}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      5.800     4.300     0.200 peak   251 spectrum    1 weight  0.10000E+01 volume  0.55405E-04 ppm1      7.679 ppm2      1.563 CV     1
 OR {  251}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI {  252}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      5.200     3.300     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.12110E-03 ppm1      7.680 ppm2      1.399 CV     1
 OR {  252}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 OR {  252}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  255}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.56999E-03 ppm1      8.895 ppm2      8.177 CV     1
 OR {  255}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  257}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.200     2.200     1.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.40232E-03 ppm1      8.897 ppm2      7.704 CV     1
 OR {  257}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  261}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      4.600     2.700     1.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.31040E-03 ppm1      8.894 ppm2      3.882 CV     1
 OR {  261}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  261}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  262}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.800     1.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.63327E-03 ppm1      8.898 ppm2      3.376 CV     1
 OR {  262}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  264}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.200     2.200     1.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.76164E-03 ppm1      8.898 ppm2      2.291 CV     1
 OR {  264}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  264}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  268}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      3.800     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      8.898 ppm2      0.883 CV     1
 OR {  268}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  268}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  269}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.300     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      8.898 ppm2      0.721 CV     1
 OR {  269}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  270}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.300     3.500     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.29339E-03 ppm1      7.936 ppm2      0.726 CV     1
 OR {  270}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  272}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      2.100     0.600     0.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.72507E-02 ppm1      7.939 ppm2      2.280 CV     1
 OR {  272}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  272}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  276}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.300     0.600     0.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.55262E-02 ppm1      7.937 ppm2      8.177 CV     1
 OR {  276}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  280}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.100     2.100     1.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.46189E-03 ppm1      7.930 ppm2      8.654 CV     1
 OR {  280}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  281}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.900     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.17265E-03 ppm1      7.935 ppm2      9.226 CV     1
 OR {  281}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  285}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.78114E-03 ppm1      8.681 ppm2      8.192 CV     1
 OR {  285}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  290}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.800     2.900     1.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.22596E-03 ppm1      8.680 ppm2      4.045 CV     1
 OR {  290}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
 ASSI {  293}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak   293 spectrum    1 weight  0.10000E+01 volume  0.11317E-02 ppm1      8.680 ppm2      3.583 CV     1
 OR {  293}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  296}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.400     0.700     0.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.28819E-02 ppm1      8.680 ppm2      2.238 CV     1
 OR {  296}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  299}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      6.000     6.000     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.63243E-04 ppm1      8.683 ppm2      1.297 CV     1
 OR {  299}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  299}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  299}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
 ASSI {  301}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      2.800     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.25644E-02 ppm1      8.680 ppm2      0.978 CV     1
 OR {  301}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  301}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  302}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.800     4.100     0.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.20463E-03 ppm1      8.683 ppm2      0.726 CV     1
 OR {  302}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 OR {  302}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 OR {  302}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  303}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      4.600     2.700     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.44210E-03 ppm1      8.683 ppm2      1.623 CV     1
 OR {  303}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
 OR {  303}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  309}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.400     2.400     1.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.96206E-04 ppm1      7.844 ppm2      8.562 CV     1
 OR {  309}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  310}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.300     0.700     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.54745E-02 ppm1      7.846 ppm2      7.695 CV     1
 OR {  310}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {  313}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.52271E-03 ppm1      7.846 ppm2      4.622 CV     1
 OR {  313}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  314}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.200     2.200     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.58483E-03 ppm1      7.845 ppm2      3.878 CV     1
 OR {  314}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  321}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      4.000     2.000     2.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.81597E-03 ppm1      7.845 ppm2      0.938 CV     1
 OR {  321}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR {  321}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 OR {  321}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  322}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      5.100     3.300     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.13071E-03 ppm1      7.847 ppm2      0.831 CV     1
 OR {  322}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  322}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  322}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  322}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI {  323}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.200     2.200     1.800 peak   323 spectrum    1 weight  0.10000E+01 volume  0.64604E-03 ppm1      7.845 ppm2      0.518 CV     1
 OR {  323}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR {  323}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  323}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  335}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.500     2.600     1.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.21408E-03 ppm1      8.402 ppm2      3.578 CV     1
 OR {  335}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  337}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      6.000     4.700     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.23112E-03 ppm1      8.401 ppm2      1.289 CV     1
 OR {  337}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  339}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.000     2.000     2.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.10246E-02 ppm1      8.401 ppm2      0.973 CV     1
 OR {  339}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  339}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  339}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  340}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      5.700     4.000     0.300 peak   340 spectrum    1 weight  0.10000E+01 volume  0.20811E-03 ppm1      8.398 ppm2      0.756 CV     1
 OR {  340}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 OR {  340}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  349}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.100     1.200     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.50173E-02 ppm1      9.222 ppm2      0.979 CV     1
 OR {  349}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  349}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  379}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      4.000     2.000     2.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.14342E-02 ppm1      6.989 ppm2      1.113 CV     1
 OR {  379}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  380}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.400     1.500     1.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.26706E-02 ppm1      6.989 ppm2      0.958 CV     1
 OR {  380}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 OR {  380}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  386}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.100     2.100     1.900 peak   386 spectrum    1 weight  0.10000E+01 volume  0.61477E-03 ppm1      8.805 ppm2      8.234 CV     1
 OR {  386}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  389}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.17130E-02 ppm1      8.807 ppm2      3.926 CV     1
 OR {  389}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  397}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.100     2.100     1.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.61435E-03 ppm1      8.807 ppm2      0.603 CV     1
 OR {  397}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  397}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  397}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  398}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      5.800     4.200     0.200 peak   398 spectrum    1 weight  0.10000E+01 volume  0.10335E-03 ppm1      8.807 ppm2      0.725 CV     1
 OR {  398}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 OR {  398}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI {  399}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.500     2.500     1.500 peak   399 spectrum    1 weight  0.10000E+01 volume  0.27420E-03 ppm1      8.807 ppm2      1.080 CV     1
 OR {  399}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 OR {  399}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  399}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  401}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      4.000     2.000     2.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.73157E-03 ppm1      8.807 ppm2      0.864 CV     1
 OR {  401}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  401}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR {  401}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  401}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR {  401}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR {  401}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  403}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      5.500     3.700     0.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.14084E-03 ppm1      8.806 ppm2      1.580 CV     1
 OR {  403}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  405}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     6.000     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.42816E-04 ppm1      8.806 ppm2      1.656 CV     1
 OR {  405}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HD1 ))
 OR {  405}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
 OR {  405}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI {  407}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.72950E-03 ppm1      7.743 ppm2      3.916 CV     1
 OR {  407}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  413}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     2.900     3.100 peak   413 spectrum    1 weight  0.10000E+01 volume  0.63010E-03 ppm1      7.743 ppm2      7.965 CV     1
 OR {  413}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  419}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.900     1.900     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.30597E-03 ppm1      7.741 ppm2      0.974 CV     1
 OR {  419}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
 ASSI {  420}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.97357E-04 ppm1      7.745 ppm2      0.865 CV     1
 OR {  420}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR {  420}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  421}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.400     2.400     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.35211E-03 ppm1      7.741 ppm2      1.496 CV     1
 OR {  421}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI {  422}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      5.400     3.700     0.600 peak   422 spectrum    1 weight  0.10000E+01 volume  0.23192E-03 ppm1      7.744 ppm2      1.587 CV     1
 OR {  422}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI {  434}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     5.600     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.12569E-03 ppm1      6.354 ppm2      4.392 CV     1
 OR {  434}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
      5.000     3.100     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.54586E-03 ppm1      6.352 ppm2      3.002 CV     1
 OR {  437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
 OR {  437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
 OR {  437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  438}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.400     2.400     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.48782E-03 ppm1      6.353 ppm2      2.322 CV     1
 OR {  438}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  439}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.400     1.400 peak   439 spectrum    1 weight  0.10000E+01 volume  0.26988E-02 ppm1      6.352 ppm2      2.039 CV     1
 OR {  439}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  441}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.30308E-02 ppm1      6.352 ppm2      1.517 CV     1
 OR {  441}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI {  442}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.300     0.700     0.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.49966E-02 ppm1      6.352 ppm2      1.326 CV     1
 OR {  442}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {  442}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  443}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.900     1.900     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.13031E-02 ppm1      6.352 ppm2      0.907 CV     1
 OR {  443}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  444}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.400     1.400     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.21619E-02 ppm1      6.353 ppm2      0.738 CV     1
 OR {  444}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  445}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.400     1.500     1.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.77480E-03 ppm1      6.353 ppm2      0.609 CV     1
 OR {  445}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  454}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.100     2.100     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.69636E-03 ppm1      7.504 ppm2      3.560 CV     1
 OR {  454}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  456}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.300     2.300     1.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.40640E-03 ppm1      7.504 ppm2      2.753 CV     1
 OR {  456}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  459}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      3.700     1.700     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.13147E-02 ppm1      7.503 ppm2      1.520 CV     1
 OR {  459}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  465}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.900     4.300     0.100 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23718E-03 ppm1      7.501 ppm2      0.763 CV     1
 OR {  465}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  465}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  497}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.400     2.500     1.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.39382E-03 ppm1      8.040 ppm2      8.824 CV     1
 OR {  497}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  503}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.600     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.35010E-02 ppm1      8.032 ppm2      4.168 CV     1
 OR {  503}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  509}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.500     1.600     1.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.86282E-03 ppm1      8.035 ppm2      0.788 CV     1
 OR {  509}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  509}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  511}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.000     2.000     2.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.12849E-02 ppm1      8.044 ppm2      0.636 CV     1
 OR {  511}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  511}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  513}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
      5.800     4.200     0.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.15555E-03 ppm1      8.036 ppm2      1.629 CV     1
 OR {  513}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  514}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.500     2.500     1.500 peak   514 spectrum    1 weight  0.10000E+01 volume  0.43324E-03 ppm1      7.292 ppm2      0.603 CV     1
 OR {  514}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  515}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      4.400     2.400     1.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.64834E-03 ppm1      7.296 ppm2      0.914 CV     1
 OR {  515}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  515}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  516}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      4.100     2.100     1.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.68811E-03 ppm1      7.293 ppm2      0.841 CV     1
 OR {  516}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR {  516}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  516}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
 ASSI {  523}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     1.700     1.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.54160E-03 ppm1      7.293 ppm2      3.203 CV     1
 OR {  523}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  529}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.200     2.200     1.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.32831E-03 ppm1      7.295 ppm2      4.655 CV     1
 OR {  529}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  554}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.600     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.18527E-02 ppm1      7.729 ppm2      2.299 CV     1
 OR {  554}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  554}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  557}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      5.000     3.100     1.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.19826E-03 ppm1      7.732 ppm2      1.318 CV     1
 OR {  557}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {  557}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  557}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI {  559}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.000     3.100     1.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.27206E-03 ppm1      7.732 ppm2      0.743 CV     1
 OR {  559}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  567}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.34344E-03 ppm1      8.381 ppm2      4.617 CV     1
 OR {  567}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  569}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.98499E-03 ppm1      8.379 ppm2      3.564 CV     1
 OR {  569}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  574}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.200     2.200     1.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.19391E-02 ppm1      8.380 ppm2      2.040 CV     1
 OR {  574}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  576}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.300     1.300     1.300 peak   576 spectrum    1 weight  0.10000E+01 volume  0.19086E-02 ppm1      8.380 ppm2      1.472 CV     1
 OR {  576}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  576}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI {  577}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.10108E-02 ppm1      8.379 ppm2      1.324 CV     1
 OR {  577}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  578}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      5.800     4.300     0.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.15504E-03 ppm1      8.378 ppm2      1.036 CV     1
 OR {  578}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  579}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      5.000     3.100     1.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.49008E-03 ppm1      8.380 ppm2      0.892 CV     1
 OR {  579}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {  579}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI {  580}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.700     4.000     0.300 peak   580 spectrum    1 weight  0.10000E+01 volume  0.34082E-03 ppm1      8.378 ppm2      0.789 CV     1
 OR {  580}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  591}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   591 spectrum    1 weight  0.10000E+01 volume  0.12424E-02 ppm1      7.972 ppm2      4.140 CV     1
 OR {  591}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
 ASSI {  593}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.200     2.300     1.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.83323E-03 ppm1      7.973 ppm2      1.271 CV     1
 OR {  593}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  608}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     5.900     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.13559E-03 ppm1      7.670 ppm2      2.299 CV     1
 OR {  608}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  609}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.700     1.700     1.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.16545E-02 ppm1      7.678 ppm2      3.843 CV     1
 OR {  609}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  612}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.700     2.800     1.300 peak   612 spectrum    1 weight  0.10000E+01 volume  0.30285E-03 ppm1      7.702 ppm2      0.520 CV     1
 OR {  612}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  612}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  613}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      4.200     2.200     1.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.64093E-03 ppm1      7.702 ppm2      0.940 CV     1
 OR {  613}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 OR {  613}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR {  613}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  613}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI {  614}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      6.000     4.800     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.98056E-04 ppm1      7.680 ppm2      0.601 CV     1
 OR {  614}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  616}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.600     2.700     1.400 peak   616 spectrum    1 weight  0.10000E+01 volume  0.34386E-03 ppm1      8.117 ppm2      0.611 CV     1
 OR {  616}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  618}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.100     2.100     1.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.15226E-03 ppm1      8.113 ppm2      1.414 CV     1
 OR {  618}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI {  619}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      5.800     4.200     0.200 peak   619 spectrum    1 weight  0.10000E+01 volume  0.16996E-03 ppm1      8.116 ppm2      1.270 CV     1
 OR {  619}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR {  619}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI {  620}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.300     2.300     1.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.66932E-03 ppm1      8.116 ppm2      1.041 CV     1
 OR {  620}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI {  622}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      6.000     6.000     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.85729E-04 ppm1      8.117 ppm2      2.304 CV     1
 OR {  622}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  631}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.100     3.300     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.22840E-03 ppm1      8.116 ppm2      4.415 CV     1
 OR {  631}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  631}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI {  632}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.200     3.400     0.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.23632E-03 ppm1      8.116 ppm2      4.365 CV     1
 OR {  632}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 OR {  632}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  659}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.94023E-02 ppm1      8.277 ppm2      3.976 CV     1
 OR {  659}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  671}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.600     1.600 peak   671 spectrum    1 weight  0.10000E+01 volume  0.86082E-03 ppm1      7.807 ppm2      4.129 CV     1
 OR {  671}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  677}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      6.000     4.400     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.11169E-03 ppm1      7.809 ppm2      1.589 CV     1
 OR {  677}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 OR {  677}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  677}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI {  678}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.400     3.400     2.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.31272E-03 ppm1      7.807 ppm2      1.071 CV     1
 OR {  678}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 OR {  678}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  678}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  678}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  680}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      5.400     3.600     0.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.87443E-04 ppm1      7.806 ppm2      0.629 CV     1
 OR {  680}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  680}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  695}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.000     2.000     2.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.60992E-03 ppm1      8.227 ppm2      4.231 CV     1
 OR {  695}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  718}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      5.100     3.300     0.900 peak   718 spectrum    1 weight  0.10000E+01 volume  0.14854E-03 ppm1      8.647 ppm2      1.680 CV     1
 OR {  718}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
 OR {  718}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI {  720}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      5.000     3.100     1.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.25088E-03 ppm1      8.644 ppm2      0.831 CV     1
 OR {  720}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI {  729}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 32   and name HZ  ))
      5.100     3.300     0.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.74994E-04 ppm1      8.641 ppm2      6.837 CV     1
 OR {  729}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
 OR {  729}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 4    and name HE21))
 ASSI {  730}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      3.700     1.700     1.700 peak   730 spectrum    1 weight  0.10000E+01 volume  0.14670E-03 ppm1      8.642 ppm2      6.973 CV     1
 OR {  730}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
 ASSI {  736}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      4.500     2.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.46674E-03 ppm1      8.638 ppm2      3.792 CV     1
 OR {  736}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 OR {  736}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  738}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      5.100     3.300     0.900 peak   738 spectrum    1 weight  0.10000E+01 volume  0.19111E-03 ppm1      8.636 ppm2      3.964 CV     1
 OR {  738}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
 ASSI {  739}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      5.100     3.300     0.900 peak   739 spectrum    1 weight  0.10000E+01 volume  0.25763E-03 ppm1      8.639 ppm2      3.376 CV     1
 OR {  739}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  742}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.19154E-02 ppm1      8.653 ppm2      1.939 CV     1
 OR {  742}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR {  742}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR {  742}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  744}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      5.300     3.500     0.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.21149E-03 ppm1      8.640 ppm2      1.755 CV     1
 OR {  744}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  744}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  744}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI {  747}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.300     1.400     1.400 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12216E-02 ppm1      8.638 ppm2      0.623 CV     1
 OR {  747}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  750}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      4.300     2.300     1.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.10546E-02 ppm1      7.474 ppm2      0.847 CV     1
 OR {  750}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR {  750}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  750}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 OR {  750}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI {  776}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      5.400     3.600     0.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.32359E-03 ppm1      8.385 ppm2      0.874 CV     1
 OR {  776}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  777}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.700     2.800     1.300 peak   777 spectrum    1 weight  0.10000E+01 volume  0.51883E-03 ppm1      8.383 ppm2      0.617 CV     1
 OR {  777}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  791}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   791 spectrum    1 weight  0.10000E+01 volume  0.16095E-02 ppm1      8.256 ppm2      3.896 CV     1
 OR {  791}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  796}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      4.500     2.500     1.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.10305E-03 ppm1      8.253 ppm2      1.962 CV     1
 OR {  796}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 OR {  796}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI {  798}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.600     2.600     1.400 peak   798 spectrum    1 weight  0.10000E+01 volume  0.52902E-03 ppm1      8.255 ppm2      0.517 CV     1
 OR {  798}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 OR {  798}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  802}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.700     1.700     1.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12423E-03 ppm1      8.258 ppm2      0.608 CV     1
 OR {  802}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  802}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  807}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.900     3.000     1.100 peak   807 spectrum    1 weight  0.10000E+01 volume  0.21266E-03 ppm1      7.705 ppm2      1.731 CV     1
 OR {  807}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 64   and name HB2 ))
 OR {  807}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  819}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      4.700     2.800     1.300 peak   819 spectrum    1 weight  0.10000E+01 volume  0.22390E-03 ppm1      8.186 ppm2      4.048 CV     1
 OR {  819}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  822}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.200     1.200 peak   822 spectrum    1 weight  0.10000E+01 volume  0.15888E-02 ppm1      8.186 ppm2      4.237 CV     1
 OR {  822}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  823}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      5.800     4.200     0.200 peak   823 spectrum    1 weight  0.10000E+01 volume  0.13151E-03 ppm1      8.185 ppm2      3.579 CV     1
 OR {  823}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  825}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
      5.400     3.600     0.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.21930E-03 ppm1      8.185 ppm2      2.709 CV     1
 OR {  825}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  829}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      5.200     3.400     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.32517E-03 ppm1      8.185 ppm2      0.861 CV     1
 OR {  829}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  829}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  829}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  830}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     6.000     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.12073E-04 ppm1      8.187 ppm2      1.264 CV     1
 OR {  830}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
 OR {  830}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  834}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.900     3.000     1.100 peak   834 spectrum    1 weight  0.10000E+01 volume  0.49429E-03 ppm1      8.188 ppm2      1.528 CV     1
 OR {  834}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
 OR {  834}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI {  849}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     3.800     2.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.34360E-03 ppm1      8.792 ppm2      9.223 CV     1
 OR {  849}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  851}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.700     2.800     1.300 peak   851 spectrum    1 weight  0.10000E+01 volume  0.36048E-03 ppm1      8.780 ppm2      1.648 CV     1
 OR {  851}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  851}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  852}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      6.000     5.000     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.12842E-03 ppm1      8.782 ppm2      1.527 CV     1
 OR {  852}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 OR {  852}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  855}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.900     3.000     1.100 peak   855 spectrum    1 weight  0.10000E+01 volume  0.41416E-03 ppm1      8.784 ppm2      0.892 CV     1
 OR {  855}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  855}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  879}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      5.600     3.900     0.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.24380E-03 ppm1      8.467 ppm2      2.110 CV     1
 OR {  879}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI {  880}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak   880 spectrum    1 weight  0.10000E+01 volume  0.11260E-02 ppm1      8.465 ppm2      3.583 CV     1
 OR {  880}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  881}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      5.700     4.100     0.300 peak   881 spectrum    1 weight  0.10000E+01 volume  0.19999E-03 ppm1      8.464 ppm2      4.058 CV     1
 OR {  881}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  881}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 OR {  881}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  895}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.500     2.600     1.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.10821E-02 ppm1      7.825 ppm2      8.064 CV     1
 OR {  895}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  905}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.400     0.700     0.700 peak   905 spectrum    1 weight  0.10000E+01 volume  0.46260E-02 ppm1      7.825 ppm2      3.928 CV     1
 OR {  905}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  917}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
      5.500     3.800     0.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.12915E-03 ppm1      7.333 ppm2      2.592 CV     1
 OR {  917}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  917}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 OR {  917}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {  926}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      5.500     3.800     0.500 peak   926 spectrum    1 weight  0.10000E+01 volume  0.63395E-04 ppm1      7.335 ppm2      1.622 CV     1
 OR {  926}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  926}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  927}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.400     1.500     1.500 peak   927 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      7.943 ppm2      0.631 CV     1
 OR {  927}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 OR {  927}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI {  940}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      5.700     4.100     0.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.10401E-03 ppm1      6.447 ppm2      3.584 CV     1
 OR {  940}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  968}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      4.600     2.600     1.400 peak   968 spectrum    1 weight  0.10000E+01 volume  0.43165E-03 ppm1      8.519 ppm2      1.558 CV     1
 OR {  968}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
 OR {  968}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  985}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
      5.300     3.500     0.700 peak   985 spectrum    1 weight  0.10000E+01 volume  0.16208E-03 ppm1      7.476 ppm2      3.036 CV     1
 OR {  985}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  985}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.47204E-03 ppm1      7.480 ppm2      1.998 CV     1
 OR {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 OR {  990}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  995}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.700     0.900     0.900 peak   995 spectrum    1 weight  0.10000E+01 volume  0.92701E-02 ppm1      8.449 ppm2      1.736 CV     1
 OR {  995}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {  995}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI {  999}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.800     4.200     0.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.16099E-03 ppm1      8.449 ppm2      1.030 CV     1
 OR {  999}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1013}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      4.400     2.400     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.75427E-03 ppm1     10.185 ppm2      1.538 CV     1
 OR { 1013}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1039}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      6.000     5.400     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.59110E-04 ppm1      8.558 ppm2      1.870 CV     1
 OR { 1039}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1042}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      4.700     2.700     1.300 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.49768E-03 ppm1      7.482 ppm2      0.932 CV     1
 OR { 1042}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1042}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1042}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1051}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.80061E-03 ppm1      7.482 ppm2      4.071 CV     1
 OR { 1051}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1059}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      3.800     1.800     1.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.22425E-03 ppm1      8.038 ppm2      0.612 CV     1
 OR { 1059}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 1059}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI { 1061}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.000     2.000     2.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.37781E-03 ppm1      8.041 ppm2      1.563 CV     1
 OR { 1061}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1062}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.400     2.400     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.37992E-03 ppm1      8.040 ppm2      1.270 CV     1
 OR { 1062}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 OR { 1062}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI { 1063}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.700     2.700     1.300 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.53012E-03 ppm1      8.041 ppm2      2.409 CV     1
 OR { 1063}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
 OR { 1063}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
 OR { 1063}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1065}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.400     2.400     1.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.51692E-03 ppm1      8.038 ppm2      3.086 CV     1
 OR { 1065}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1067}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.900     3.000     1.100 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.31726E-03 ppm1      8.046 ppm2      4.099 CV     1
 OR { 1067}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
 OR { 1067}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1067}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1088}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      3.900     1.900     1.900 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.14956E-02 ppm1      8.047 ppm2      0.932 CV     1
 OR { 1088}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
 OR { 1088}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1089}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      5.600     3.900     0.400 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.27832E-03 ppm1      8.046 ppm2      2.319 CV     1
 OR { 1089}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1089}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1089}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1097}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.900     3.000     1.100 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.28771E-03 ppm1      8.394 ppm2      4.120 CV     1
 OR { 1097}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 1097}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1101}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.400     1.400 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.21577E-02 ppm1      8.393 ppm2      1.871 CV     1
 OR { 1101}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 1101}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
 ASSI { 1103}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.600     1.600     1.600 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.11152E-02 ppm1      8.392 ppm2      0.936 CV     1
 OR { 1103}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1103}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1103}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1114}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.200     2.200     1.800 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.52983E-03 ppm1      8.316 ppm2      8.074 CV     1
 OR { 1114}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1122}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      5.500     3.800     0.500 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.98922E-04 ppm1      8.316 ppm2      1.619 CV     1
 OR { 1122}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 1125}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.300     1.300     1.300 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.23603E-02 ppm1      8.318 ppm2      0.935 CV     1
 OR { 1125}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1125}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1125}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1125}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI { 1129}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.700     2.700     1.300 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.21116E-03 ppm1      8.045 ppm2      3.581 CV     1
 OR { 1129}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1132}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.300     0.700     0.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.60552E-02 ppm1      8.044 ppm2      0.974 CV     1
 OR { 1132}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1134}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      2.600     0.800     0.800 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.35505E-02 ppm1      7.946 ppm2      2.310 CV     1
 OR { 1134}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1135}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
      4.100     2.100     1.900 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.19334E-03 ppm1      7.946 ppm2      1.395 CV     1
 OR { 1135}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 OR { 1135}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 1136}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.500     2.600     1.500 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.36873E-03 ppm1      7.944 ppm2      1.495 CV     1
 OR { 1136}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1141}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.900     3.000     1.100 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.21203E-03 ppm1      7.785 ppm2      8.661 CV     1
 OR { 1141}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1146}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      5.500     3.700     0.500 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.19792E-03 ppm1      7.788 ppm2      4.219 CV     1
 OR { 1146}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 OR { 1146}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1153}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      4.800     2.900     1.200 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.23738E-03 ppm1      7.789 ppm2      2.449 CV     1
 OR { 1153}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1154}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.600     2.600     1.400 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.50599E-03 ppm1      7.787 ppm2      1.504 CV     1
 OR { 1154}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1157}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      3.500     1.600     1.600 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.16975E-02 ppm1      7.790 ppm2      0.867 CV     1
 OR { 1157}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1157}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1158}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      5.700     4.000     0.300 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.14455E-03 ppm1      7.788 ppm2      0.619 CV     1
 OR { 1158}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1158}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 1158}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 1169}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.200     3.400     0.800 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.21638E-03 ppm1      7.919 ppm2      2.450 CV     1
 OR { 1169}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1171}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      4.600     2.700     1.400 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.17978E-03 ppm1      7.916 ppm2      2.281 CV     1
 OR { 1171}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 OR { 1171}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI { 1174}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.700     1.700     1.700 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.17775E-02 ppm1      7.920 ppm2      1.091 CV     1
 OR { 1174}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 1176}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      5.500     3.800     0.500 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.17829E-03 ppm1      7.925 ppm2      0.852 CV     1
 OR { 1176}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1176}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1176}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1177}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.200     2.200     1.800 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.55550E-03 ppm1      7.920 ppm2      0.748 CV     1
 OR { 1177}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1178}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      5.400     3.600     0.600 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.15480E-03 ppm1      7.922 ppm2      0.645 CV     1
 OR { 1178}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 1178}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1178}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 OR { 1178}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1194}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.200     2.200     1.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.47980E-03 ppm1      8.820 ppm2      2.063 CV     1
 OR { 1194}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR { 1194}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1195}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.400     1.500     1.500 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      8.821 ppm2      1.049 CV     1
 OR { 1195}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 OR { 1195}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1196}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      4.500     2.500     1.500 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.52093E-03 ppm1      8.821 ppm2      0.868 CV     1
 OR { 1196}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1196}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1196}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 OR { 1196}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1196}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 1196}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1197}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.200     1.300     1.300 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.15091E-02 ppm1      8.820 ppm2      0.719 CV     1
 OR { 1197}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 ASSI { 1198}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.100     2.100     1.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.69878E-03 ppm1      8.821 ppm2      0.610 CV     1
 OR { 1198}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1198}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 1198}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1198}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1203}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.600     2.700     1.400 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.23625E-03 ppm1      8.079 ppm2      8.809 CV     1
 OR { 1203}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1206}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      8.078 ppm2      3.907 CV     1
 OR { 1206}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 OR { 1206}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 20   and name HA2 ))
 OR { 1206}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1211}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.300     1.700 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.51007E-03 ppm1      8.079 ppm2      0.868 CV     1
 OR { 1211}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 1211}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 1211}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 21   and name HD1%)
 ASSI { 1212}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.600     2.700     1.400 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.40524E-03 ppm1      8.078 ppm2      0.643 CV     1
 OR { 1212}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1212}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1213}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      5.500     3.800     0.500 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.26149E-03 ppm1      8.078 ppm2      0.525 CV     1
 OR { 1213}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1214}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.100     1.200     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      8.077 ppm2      1.597 CV     1
 OR { 1214}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 21   and name HB  ))
 ASSI { 1219}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.700     2.800     1.300 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.38005E-03 ppm1      7.850 ppm2      2.103 CV     1
 OR { 1219}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1224}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.700     2.700     1.300 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.26279E-03 ppm1      7.844 ppm2      2.293 CV     1
 OR { 1224}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1229}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      6.000     4.800     0.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.90143E-04 ppm1      7.850 ppm2      0.583 CV     1
 OR { 1229}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1230}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.600     0.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.12640E-03 ppm1      7.847 ppm2      0.523 CV     1
 OR { 1230}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1231}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      3.800     1.800     1.800 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.10561E-02 ppm1      9.853 ppm2      0.832 CV     1
 OR { 1231}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1231}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 1232}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.100     2.100     1.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.10338E-02 ppm1      9.851 ppm2      0.607 CV     1
 OR { 1232}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI { 1239}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      5.800     4.200     0.200 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.13253E-03 ppm1      9.855 ppm2      1.963 CV     1
 OR { 1239}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 1239}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 1239}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
 OR { 1239}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 1239}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1248}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      5.500     3.800     0.500 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.17329E-03 ppm1      7.701 ppm2      2.621 CV     1
 OR { 1248}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 OR { 1248}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1251}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.17200E-02 ppm1      8.567 ppm2      4.467 CV     1
 OR { 1251}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1252}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.400     1.400 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.27084E-02 ppm1      8.566 ppm2      3.082 CV     1
 OR { 1252}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HE2 ))
 OR { 1252}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HE1 ))
 ASSI { 1255}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.100     2.200     1.900 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.34923E-03 ppm1      8.563 ppm2      1.561 CV     1
 OR { 1255}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1256}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.200     1.300     1.300 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.23897E-02 ppm1      8.565 ppm2      1.039 CV     1
 OR { 1256}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1258}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.900     3.000     1.100 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.37193E-03 ppm1      8.561 ppm2      0.605 CV     1
 OR { 1258}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 1258}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 OR { 1258}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1258}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 1272}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.500     3.800     0.500 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.36042E-03 ppm1      8.118 ppm2      0.762 CV     1
 OR { 1272}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 OR { 1272}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1288}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     5.800     0.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.60937E-04 ppm1      9.403 ppm2      3.071 CV     1
 OR { 1288}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HE1 ))
 OR { 1288}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1290}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.700     2.800     1.300 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.11163E-03 ppm1      9.407 ppm2      2.019 CV     1
 OR { 1290}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
 OR { 1290}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 1290}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 1295}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.200     2.200     1.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.81325E-03 ppm1      9.402 ppm2      1.039 CV     1
 OR { 1295}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 1296}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.100     2.100     1.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.12341E-02 ppm1      9.402 ppm2      0.794 CV     1
 OR { 1296}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1308}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.800     1.800     1.800 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.13376E-02 ppm1      8.195 ppm2      0.608 CV     1
 OR { 1308}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 1308}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1308}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1308}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 OR { 1308}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI { 1309}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     5.600     0.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.77477E-04 ppm1      8.192 ppm2      0.275 CV     1
 OR { 1309}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1310}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 40   and name H4A ))
      5.100     3.200     0.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.16578E-03 ppm1      8.198 ppm2      1.075 CV     1
 OR { 1310}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 1310}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 1310}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 1312}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      5.700     4.100     0.300 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.11309E-03 ppm1      8.198 ppm2      0.791 CV     1
 OR { 1312}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 OR { 1312}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 ASSI { 1313}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.800     1.800     1.800 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.52232E-03 ppm1      8.196 ppm2      2.248 CV     1
 OR { 1313}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1321}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      4.300     2.300     1.700 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.50483E-03 ppm1      7.929 ppm2      1.452 CV     1
 OR { 1321}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 OR { 1321}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
 OR { 1321}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1322}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.700     1.800     1.800 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.16524E-02 ppm1      7.926 ppm2      0.606 CV     1
 OR { 1322}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1322}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1322}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1324}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      5.000     3.200     1.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.27792E-03 ppm1      7.926 ppm2      0.379 CV     1
 OR { 1324}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI { 1330}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.10788E-02 ppm1      8.536 ppm2      3.659 CV     1
 OR { 1330}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 1330}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1331}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.21015E-02 ppm1      8.542 ppm2      3.490 CV     1
 OR { 1331}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1332}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.34661E-02 ppm1      8.507 ppm2      3.889 CV     1
 OR { 1332}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR { 1332}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR { 1332}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1333}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.600     1.600 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.79925E-03 ppm1      8.539 ppm2      4.207 CV     1
 OR { 1333}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1335}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      2.000     0.500     0.500 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.48003E-02 ppm1      8.542 ppm2      1.991 CV     1
 OR { 1335}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1336}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
      3.400     1.500     1.500 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.30183E-02 ppm1      8.539 ppm2      0.914 CV     1
 OR { 1336}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR { 1336}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 1336}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1337}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.100     0.600     0.600 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.69881E-02 ppm1      8.532 ppm2      1.755 CV     1
 OR { 1337}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 1337}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 1339}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      5.100     3.200     0.900 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.20541E-03 ppm1      8.504 ppm2      2.519 CV     1
 OR { 1339}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
 OR { 1339}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 OR { 1339}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 1341}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.200     1.300     1.300 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.22865E-02 ppm1      8.542 ppm2      0.605 CV     1
 OR { 1341}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1342}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.000     1.100     1.100 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.37235E-02 ppm1      8.509 ppm2      0.526 CV     1
 OR { 1342}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1342}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1342}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1342}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1343}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.000     2.000     2.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.15277E-02 ppm1      8.507 ppm2      0.812 CV     1
 OR { 1343}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1343}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR { 1343}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1343}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1345}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.700     1.800     1.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.11602E-03 ppm1      8.315 ppm2      0.528 CV     1
 OR { 1345}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1368}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.700     2.700     1.300 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.32572E-03 ppm1      8.970 ppm2      1.876 CV     1
 OR { 1368}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
 OR { 1368}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1370}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.300     2.300     1.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.42247E-03 ppm1      8.968 ppm2      0.893 CV     1
 OR { 1370}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1370}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 1370}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1371}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 76   and name HG2%)
      2.700     0.900     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.13775E-02 ppm1      7.712 ppm2      0.515 CV     1
 OR { 1371}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 7    and name HD1%)
 OR { 1371}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1371}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1372}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 7    and name HD1%)
      2.700     0.900     0.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.17274E-02 ppm1      7.657 ppm2      0.513 CV     1
 OR { 1372}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1377}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 76   and name HB  ))
      4.900     2.900     1.100 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.18833E-03 ppm1      7.659 ppm2      1.728 CV     1
 OR { 1377}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1379}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 76   and name HB  ))
      4.700     2.700     1.300 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.19032E-03 ppm1      7.712 ppm2      1.723 CV     1
 OR { 1379}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 76   and name HB  ))
 OR { 1379}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1380}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 2    and name HB% )
      2.900     1.000     1.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.17994E-02 ppm1      7.657 ppm2      1.522 CV     1
 OR { 1380}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 1381}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 2    and name HB% )
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.12686E-02 ppm1      7.712 ppm2      1.514 CV     1
 OR { 1381}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 2    and name HB% )
 OR { 1381}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 2    and name HB% )
 OR { 1381}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 2    and name HB% )
 OR { 1381}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 7    and name HG11))
 OR { 1381}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 7    and name HG11))
 OR { 1381}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 7    and name HG11))


 ASSI {    1}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.59909E-02 ppm1      4.016 ppm2      8.849 CV     1
 ASSI {    3}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.49183E-02 ppm1      1.495 ppm2      4.021 CV     1
 ASSI {    6}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.10255E-01 ppm1      1.504 ppm2      7.919 CV     1
 ASSI {    7}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      4.100     2.100     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.45804E-03 ppm1      1.505 ppm2      8.185 CV     1
 ASSI {    8}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.56672E-02 ppm1      1.502 ppm2      8.823 CV     1
 ASSI {    9}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      4.300     2.300     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.44776E-03 ppm1      1.493 ppm2      4.799 CV     1
 ASSI {   12}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.300     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.99682E-02 ppm1      1.504 ppm2      4.227 CV     1
 ASSI {   13}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.35751E-02 ppm1      1.505 ppm2      3.415 CV     1
 ASSI {   14}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.200     1.300     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.29128E-03 ppm1      4.018 ppm2      2.702 CV     1
 ASSI {   15}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.600     1.600     1.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.51088E-03 ppm1      4.015 ppm2      2.579 CV     1
 ASSI {   16}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.900     1.900     1.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.55411E-03 ppm1      4.018 ppm2      2.133 CV     1
 ASSI {   17}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.400     2.400     1.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.82205E-03 ppm1      4.014 ppm2      2.333 CV     1
 ASSI {   18}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      4.900     3.000     1.100 peak    18 spectrum    1 weight  0.10000E+01 volume  0.39321E-03 ppm1      4.016 ppm2      0.515 CV     1
 ASSI {   19}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG1 ))
      4.200     2.200     1.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.13079E-02 ppm1      1.495 ppm2      2.701 CV     1
 ASSI {   20}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG2 ))
      4.200     2.200     1.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.16486E-02 ppm1      1.495 ppm2      2.577 CV     1
 ASSI {   23}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 45   and name HB2 ))
      2.300     2.300     3.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.22567E-02 ppm1      1.498 ppm2      2.126 CV     1
 ASSI {   24}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG11))
      3.800     1.800     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.19222E-02 ppm1      1.504 ppm2      1.988 CV     1
 ASSI {   25}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HG2%)
      2.300     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.85775E-02 ppm1      1.506 ppm2      1.045 CV     1
 OR {   25}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG12))
 ASSI {   29}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      4.100     2.100     1.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.18018E-02 ppm1      1.547 ppm2      8.387 CV     1
 ASSI {   30}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.40601E-02 ppm1      1.547 ppm2      8.551 CV     1
 ASSI {   31}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HD% )
      3.300     1.400     1.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.24640E-02 ppm1      1.547 ppm2      7.455 CV     1
 ASSI {   33}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HE% )
      4.000     2.000     2.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.16619E-02 ppm1      1.547 ppm2      7.116 CV     1
 ASSI {   34}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.12952E-03 ppm1      1.546 ppm2      9.238 CV     1
 ASSI {   38}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.50283E-02 ppm1      1.547 ppm2      4.818 CV     1
 ASSI {   40}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      4.200     2.200     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.91133E-03 ppm1      1.546 ppm2      4.019 CV     1
 ASSI {   41}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HA  ))
      4.000     2.000     2.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      1.548 ppm2      3.873 CV     1
 ASSI {   42}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
      4.500     2.600     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.32394E-03 ppm1      1.550 ppm2      3.422 CV     1
 ASSI {   44}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB1 ))
      2.700     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.38642E-02 ppm1      1.549 ppm2      2.479 CV     1
 ASSI {   47}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.15613E-02 ppm1      4.416 ppm2      8.549 CV     1
 ASSI {   48}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.100     0.600     0.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.65865E-02 ppm1      4.416 ppm2      9.233 CV     1
 ASSI {   49}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      3.800     1.800     1.800 peak    49 spectrum    1 weight  0.10000E+01 volume  0.62984E-03 ppm1      4.418 ppm2      8.859 CV     1
 ASSI {   51}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.38836E-02 ppm1      4.415 ppm2      4.711 CV     1
 ASSI {   52}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.74324E-02 ppm1      4.415 ppm2      1.347 CV     1
 ASSI {   53}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      4.300     2.400     1.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.43392E-03 ppm1      4.413 ppm2      0.520 CV     1
 OR {   53}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   54}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      3.400     1.400     1.400 peak    54 spectrum    1 weight  0.10000E+01 volume  0.20660E-02 ppm1      4.416 ppm2      0.809 CV     1
 OR {   54}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   55}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      4.700     2.700     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.94363E-03 ppm1      4.412 ppm2      2.185 CV     1
 OR {   55}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   55}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   56}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      5.200     3.400     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.42451E-03 ppm1      4.414 ppm2      2.012 CV     1
 ASSI {   58}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      4.100     2.100     1.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.20536E-02 ppm1      1.341 ppm2      9.233 CV     1
 ASSI {   59}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      4.100     2.200     1.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.97073E-03 ppm1      1.340 ppm2      8.851 CV     1
 ASSI {   61}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.61565E-02 ppm1      1.340 ppm2      4.710 CV     1
 ASSI {   62}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      5.000     3.100     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.17306E-03 ppm1      4.413 ppm2      4.849 CV     1
 ASSI {   63}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      3.800     1.900     1.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.92623E-03 ppm1      1.340 ppm2      4.833 CV     1
 ASSI {   66}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HG2 ))
      4.700     2.800     1.300 peak    66 spectrum    1 weight  0.10000E+01 volume  0.87851E-03 ppm1      1.340 ppm2      2.362 CV     1
 OR {   66}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   69}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.600     1.700     1.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.20304E-02 ppm1      2.156 ppm2      9.234 CV     1
 ASSI {   72}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HE22))
      6.000     5.800     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.14052E-03 ppm1      3.681 ppm2      7.511 CV     1
 ASSI {   73}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      3.680 ppm2      8.852 CV     1
 ASSI {   75}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      5.300     3.500     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.20347E-03 ppm1      3.682 ppm2      4.417 CV     1
 ASSI {   78}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.100     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.78829E-02 ppm1      3.681 ppm2      2.166 CV     1
 OR {   78}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   78}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {   79}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     1.000     1.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.27783E-02 ppm1      3.680 ppm2      2.014 CV     1
 ASSI {   81}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      5.200     3.400     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.30394E-03 ppm1      3.677 ppm2      0.202 CV     1
 ASSI {   82}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      2.100     0.600     0.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.46428E-02 ppm1      3.681 ppm2      0.514 CV     1
 OR {   82}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   84}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.500     0.800     0.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.28476E-02 ppm1      3.681 ppm2      1.090 CV     1
 ASSI {   85}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      6.000     4.700     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.15421E-03 ppm1      3.676 ppm2      1.349 CV     1
 ASSI {   87}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      3.000     1.100     1.100 peak    87 spectrum    1 weight  0.10000E+01 volume  0.11506E-02 ppm1      2.163 ppm2      1.083 CV     1
 ASSI {   89}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HE22))
      5.100     3.200     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.36831E-03 ppm1      2.161 ppm2      7.511 CV     1
 ASSI {   90}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HE21))
      4.200     2.200     1.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.12696E-03 ppm1      2.161 ppm2      6.820 CV     1
 ASSI {   91}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.90851E-03 ppm1      2.211 ppm2      9.236 CV     1
 ASSI {   92}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.99902E-03 ppm1      2.136 ppm2      9.234 CV     1
 ASSI {   93}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 2    and name HN  ))
      4.400     2.400     1.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.66573E-03 ppm1      2.209 ppm2      8.852 CV     1
 ASSI {   94}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 2    and name HN  ))
      4.500     2.500     1.500 peak    94 spectrum    1 weight  0.10000E+01 volume  0.75366E-03 ppm1      2.137 ppm2      8.854 CV     1
 ASSI {   96}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE22))
      4.200     2.200     1.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.87142E-03 ppm1      2.207 ppm2      7.510 CV     1
 ASSI {   97}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HE22))
      3.900     1.900     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.11610E-02 ppm1      2.136 ppm2      7.510 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE21))
      4.100     2.100     1.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.41898E-03 ppm1      2.207 ppm2      6.820 CV     1
 ASSI {   99}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HE21))
      3.400     1.400     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.58829E-03 ppm1      2.131 ppm2      6.821 CV     1
 ASSI {  102}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.24944E-02 ppm1      2.208 ppm2      3.686 CV     1
 ASSI {  103}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.25124E-02 ppm1      2.136 ppm2      3.686 CV     1
 ASSI {  104}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 77   and name HD1%)
      3.000     1.100     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.21908E-02 ppm1      2.208 ppm2      0.805 CV     1
 OR {  104}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  105}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
      2.800     1.000     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.22574E-02 ppm1      2.137 ppm2      0.801 CV     1
 OR {  105}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  106}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 73   and name HG2%)
      3.600     1.600     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.29412E-02 ppm1      2.208 ppm2      1.087 CV     1
 ASSI {  107}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 73   and name HG2%)
      2.600     0.800     0.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      2.137 ppm2      1.081 CV     1
 ASSI {  110}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 7    and name HD1%)
      3.200     1.300     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.13688E-02 ppm1      2.137 ppm2      0.513 CV     1
 OR {  110}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  112}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.44656E-02 ppm1      3.911 ppm2      8.855 CV     1
 ASSI {  113}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.34609E-02 ppm1      2.065 ppm2      3.918 CV     1
 ASSI {  114}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.35725E-02 ppm1      1.956 ppm2      3.918 CV     1
 ASSI {  115}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12082E-02 ppm1      2.065 ppm2      7.687 CV     1
 ASSI {  119}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      5.500     3.800     0.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.16452E-03 ppm1      3.912 ppm2      9.246 CV     1
 ASSI {  120}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.400     1.400 peak   120 spectrum    1 weight  0.10000E+01 volume  0.28997E-02 ppm1      2.062 ppm2      8.855 CV     1
 ASSI {  121}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.32414E-02 ppm1      1.957 ppm2      8.852 CV     1
 ASSI {  122}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 17   and name HN  ))
      5.000     3.100     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.33594E-03 ppm1      1.959 ppm2      8.393 CV     1
 ASSI {  123}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 13   and name HN  ))
      4.600     2.600     1.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.43566E-03 ppm1      1.962 ppm2      7.933 CV     1
 ASSI {  125}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      6.000     4.700     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.14877E-03 ppm1      3.909 ppm2      4.691 CV     1
 ASSI {  126}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      4.500     2.500     1.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.46541E-03 ppm1      3.911 ppm2      4.220 CV     1
 ASSI {  127}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.300     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.25622E-02 ppm1      3.911 ppm2      2.477 CV     1
 ASSI {  129}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG1 ))
      2.500     0.800     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.44103E-02 ppm1      1.957 ppm2      2.479 CV     1
 ASSI {  130}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      5.100     3.300     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.33817E-03 ppm1      3.914 ppm2      0.526 CV     1
 OR {  130}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  136}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.54451E-03 ppm1      2.472 ppm2      7.683 CV     1
 ASSI {  143}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak   143 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      2.456 ppm2      8.816 CV     1
 ASSI {  144}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.26360E-02 ppm1      2.093 ppm2      8.817 CV     1
 ASSI {  146}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.300     0.700     0.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.68223E-02 ppm1      4.115 ppm2      7.700 CV     1
 ASSI {  147}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.26639E-02 ppm1      4.117 ppm2      8.383 CV     1
 ASSI {  148}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      5.300     3.500     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.45775E-03 ppm1      4.114 ppm2      8.545 CV     1
 ASSI {  150}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      5.700     4.100     0.300 peak   150 spectrum    1 weight  0.10000E+01 volume  0.23218E-03 ppm1      4.099 ppm2      4.725 CV     1
 ASSI {  154}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      5.300     3.500     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.30028E-03 ppm1      4.109 ppm2      0.863 CV     1
 ASSI {  158}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.500     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.30027E-02 ppm1      2.093 ppm2      2.815 CV     1
 ASSI {  159}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
      3.000     1.100     1.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.30990E-02 ppm1      2.455 ppm2      2.815 CV     1
 ASSI {  160}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.900     1.900     1.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18994E-02 ppm1      2.458 ppm2      3.918 CV     1
 ASSI {  161}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.800     3.800     2.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.20065E-02 ppm1      2.092 ppm2      3.918 CV     1
 ASSI {  164}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.34331E-02 ppm1      2.292 ppm2      3.917 CV     1
 ASSI {  165}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.24816E-02 ppm1      2.363 ppm2      7.686 CV     1
 OR {  165}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  166}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.000     2.000     2.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.80585E-03 ppm1      2.364 ppm2      8.384 CV     1
 OR {  166}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  167}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.600     2.600     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.59502E-03 ppm1      2.366 ppm2      8.551 CV     1
 OR {  167}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  170}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.300     0.600     0.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.52879E-02 ppm1      3.866 ppm2      8.384 CV     1
 ASSI {  171}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.000     0.500     0.500 peak   171 spectrum    1 weight  0.10000E+01 volume  0.76310E-02 ppm1      1.756 ppm2      8.380 CV     1
 ASSI {  176}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      2.300     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.34528E-02 ppm1      3.866 ppm2      7.115 CV     1
 ASSI {  178}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      2.800     1.000     1.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.34208E-02 ppm1      3.866 ppm2      7.452 CV     1
 ASSI {  186}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      4.000     2.000     2.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.31530E-03 ppm1      3.868 ppm2      2.475 CV     1
 ASSI {  189}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.300     2.300     1.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.21259E-03 ppm1      3.865 ppm2      2.380 CV     1
 OR {  189}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  194}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      2.300     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.32685E-02 ppm1      3.866 ppm2      0.200 CV     1
 ASSI {  198}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.200     1.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.64362E-03 ppm1      0.531 ppm2      8.631 CV     1
 ASSI {  200}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      3.100     1.200     1.200 peak   200 spectrum    1 weight  0.10000E+01 volume  0.10677E-02 ppm1      0.532 ppm2      7.456 CV     1
 ASSI {  201}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      2.900     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.87660E-03 ppm1      0.532 ppm2      7.118 CV     1
 ASSI {  203}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      4.800     2.900     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.32695E-03 ppm1      1.756 ppm2      7.938 CV     1
 ASSI {  204}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.000     0.500     0.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.65367E-02 ppm1      1.756 ppm2      8.529 CV     1
 ASSI {  205}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.17127E-02 ppm1      1.757 ppm2      3.489 CV     1
 ASSI {  207}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.46764E-02 ppm1      0.531 ppm2      3.874 CV     1
 ASSI {  215}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
      2.800     1.000     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.61923E-02 ppm1      0.528 ppm2      0.846 CV     1
 OR {  215}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  216}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 75   and name HB2 ))
      5.000     3.100     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.36307E-03 ppm1      1.759 ppm2      3.108 CV     1
 OR {  216}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  223}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      0.502 ppm2      8.381 CV     1
 ASSI {  226}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.30053E-03 ppm1      0.503 ppm2      9.229 CV     1
 ASSI {  228}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      4.800     2.800     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.52595E-03 ppm1      0.499 ppm2      7.450 CV     1
 ASSI {  229}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      5.700     4.100     0.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.25821E-03 ppm1      0.501 ppm2      7.110 CV     1
 ASSI {  232}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.400     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.33652E-02 ppm1      0.502 ppm2      3.878 CV     1
 ASSI {  236}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
      3.800     1.800     1.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.60307E-03 ppm1      0.503 ppm2      2.149 CV     1
 OR {  236}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  239}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      2.900     1.000     1.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.12987E-02 ppm1      0.501 ppm2      1.091 CV     1
 ASSI {  240}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HG12))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.20856E-02 ppm1      0.501 ppm2      0.201 CV     1
 ASSI {  242}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HN  ))
      1.900     0.500     0.500 peak   242 spectrum    1 weight  0.10000E+01 volume  0.40675E-02 ppm1      1.514 ppm2      8.385 CV     1
 ASSI {  245}
   (( segid "    " and resid 7    and name HG11))
   (  segid "    " and resid 54   and name HE% )
      5.000     3.100     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.51476E-03 ppm1      1.515 ppm2      7.119 CV     1
 ASSI {  248}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 54   and name HD% )
      3.600     1.600     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.52368E-03 ppm1      0.183 ppm2      7.457 CV     1
 ASSI {  249}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 54   and name HE% )
      4.100     2.100     1.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.53962E-03 ppm1      0.185 ppm2      7.115 CV     1
 ASSI {  255}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.22654E-02 ppm1      1.514 ppm2      3.871 CV     1
 ASSI {  256}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 73   and name HG2%)
      5.000     3.100     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.35715E-03 ppm1      0.182 ppm2      1.087 CV     1
 ASSI {  260}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.49173E-02 ppm1      3.369 ppm2      8.373 CV     1
 ASSI {  261}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.47967E-02 ppm1      1.996 ppm2      8.372 CV     1
 ASSI {  262}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      5.500     3.700     0.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.29444E-03 ppm1      3.371 ppm2      8.624 CV     1
 ASSI {  263}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.500     1.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.91236E-03 ppm1      3.368 ppm2      8.899 CV     1
 ASSI {  264}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17399E-02 ppm1      3.369 ppm2      9.224 CV     1
 ASSI {  265}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   265 spectrum    1 weight  0.10000E+01 volume  0.14384E-02 ppm1      3.369 ppm2      7.717 CV     1
 ASSI {  269}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 70   and name HA2 ))
      3.900     3.900     2.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.99679E-03 ppm1      3.367 ppm2      3.773 CV     1
 ASSI {  270}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.19515E-02 ppm1      1.995 ppm2      3.375 CV     1
 ASSI {  274}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.33943E-02 ppm1      3.369 ppm2      2.108 CV     1
 ASSI {  277}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.17366E-02 ppm1      3.368 ppm2      1.260 CV     1
 ASSI {  281}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.100     0.500     0.500 peak   281 spectrum    1 weight  0.10000E+01 volume  0.81024E-02 ppm1      3.369 ppm2      1.031 CV     1
 ASSI {  282}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      2.100     0.600     0.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10237E-01 ppm1      1.022 ppm2      8.372 CV     1
 ASSI {  283}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.27334E-02 ppm1      0.878 ppm2      8.376 CV     1
 ASSI {  284}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.200     1.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.58295E-03 ppm1      1.023 ppm2      8.626 CV     1
 ASSI {  286}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      2.800     2.800     3.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.64203E-03 ppm1      1.023 ppm2      8.869 CV     1
 ASSI {  287}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      5.500     3.800     0.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.13772E-03 ppm1      1.022 ppm2      9.402 CV     1
 ASSI {  291}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.28890E-02 ppm1      0.882 ppm2      7.716 CV     1
 ASSI {  293}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.000     2.000     2.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.14177E-02 ppm1      1.022 ppm2      7.712 CV     1
 ASSI {  294}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HE21))
      4.200     2.200     1.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.37196E-03 ppm1      1.022 ppm2      6.827 CV     1
 ASSI {  295}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
      6.000     5.000     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.10372E-03 ppm1      0.883 ppm2      6.840 CV     1
 ASSI {  296}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      5.300     3.500     0.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.13196E-03 ppm1      1.019 ppm2      4.621 CV     1
 ASSI {  300}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      3.200     1.300     1.300 peak   300 spectrum    1 weight  0.10000E+01 volume  0.90803E-03 ppm1      1.021 ppm2      4.176 CV     1
 ASSI {  301}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.25063E-02 ppm1      1.022 ppm2      3.914 CV     1
 ASSI {  304}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.65345E-02 ppm1      0.878 ppm2      3.376 CV     1
 ASSI {  306}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
      2.900     1.100     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.32254E-02 ppm1      1.023 ppm2      2.189 CV     1
 OR {  306}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  306}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {  309}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.62402E-02 ppm1      4.207 ppm2      7.719 CV     1
 ASSI {  310}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.12333E-01 ppm1      1.497 ppm2      7.716 CV     1
 ASSI {  311}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.96381E-03 ppm1      1.496 ppm2      7.936 CV     1
 ASSI {  312}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      2.800     2.800     3.200 peak   312 spectrum    1 weight  0.10000E+01 volume  0.52704E-02 ppm1      1.496 ppm2      8.384 CV     1
 ASSI {  314}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.21299E-02 ppm1      4.205 ppm2      8.890 CV     1
 ASSI {  315}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.84976E-03 ppm1      1.499 ppm2      8.893 CV     1
 ASSI {  317}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.61445E-02 ppm1      4.220 ppm2      7.921 CV     1
 ASSI {  318}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.62328E-03 ppm1      1.498 ppm2      9.226 CV     1
 ASSI {  319}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.100     2.100     1.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.46535E-03 ppm1      4.203 ppm2      9.222 CV     1
 ASSI {  325}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 13   and name HG1 ))
      5.300     3.600     0.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.23970E-03 ppm1      1.496 ppm2      2.591 CV     1
 ASSI {  332}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.300     0.700     0.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.67029E-02 ppm1      4.205 ppm2      1.669 CV     1
 ASSI {  334}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      3.000     1.100     1.100 peak   334 spectrum    1 weight  0.10000E+01 volume  0.20917E-02 ppm1      4.203 ppm2      0.888 CV     1
 ASSI {  336}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 8    and name HA  ))
      4.800     2.800     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.43443E-03 ppm1      1.500 ppm2      3.373 CV     1
 ASSI {  337}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.41177E-02 ppm1      4.046 ppm2      8.386 CV     1
 ASSI {  341}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.000     1.100 peak   341 spectrum    1 weight  0.10000E+01 volume  0.20215E-03 ppm1      4.040 ppm2      8.899 CV     1
 ASSI {  343}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.700     1.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.21096E-03 ppm1      3.851 ppm2      8.900 CV     1
 ASSI {  344}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.15484E-02 ppm1      4.045 ppm2      9.225 CV     1
 ASSI {  346}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HN  ))
      5.100     3.200     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.32863E-03 ppm1      4.036 ppm2      8.166 CV     1
 ASSI {  347}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
      4.800     2.900     1.200 peak   347 spectrum    1 weight  0.10000E+01 volume  0.22270E-03 ppm1      3.869 ppm2      8.159 CV     1
 ASSI {  348}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.41882E-03 ppm1      3.852 ppm2      7.938 CV     1
 ASSI {  349}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 9    and name HN  ))
      5.700     4.100     0.300 peak   349 spectrum    1 weight  0.10000E+01 volume  0.20724E-03 ppm1      3.855 ppm2      7.719 CV     1
 ASSI {  350}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.600     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.13397E-03 ppm1      4.054 ppm2      7.717 CV     1
 ASSI {  351}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.600     2.600     1.400 peak   351 spectrum    1 weight  0.10000E+01 volume  0.80193E-03 ppm1      4.046 ppm2      7.942 CV     1
 ASSI {  352}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 54   and name HD% )
      3.400     3.400     2.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.14250E-02 ppm1      4.047 ppm2      7.451 CV     1
 ASSI {  353}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 54   and name HD% )
      4.000     2.000     2.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.15723E-02 ppm1      3.853 ppm2      7.452 CV     1
 ASSI {  354}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 54   and name HE% )
      3.200     1.300     1.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.68863E-03 ppm1      4.044 ppm2      7.121 CV     1
 ASSI {  355}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 54   and name HE% )
      4.200     2.200     1.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.85577E-03 ppm1      3.854 ppm2      7.118 CV     1
 ASSI {  358}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HD1 ))
      4.800     2.900     1.200 peak   358 spectrum    1 weight  0.10000E+01 volume  0.17903E-03 ppm1      4.046 ppm2      2.857 CV     1
 ASSI {  359}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HD1 ))
      4.400     2.400     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.16358E-03 ppm1      3.855 ppm2      2.864 CV     1
 ASSI {  363}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HG1 ))
      5.000     3.100     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.15970E-03 ppm1      3.853 ppm2      2.610 CV     1
 ASSI {  364}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HG2 ))
      4.100     2.100     1.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.15229E-02 ppm1      4.044 ppm2      2.278 CV     1
 OR {  364}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  365}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HG2 ))
      2.900     1.000     1.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.77108E-03 ppm1      3.854 ppm2      2.277 CV     1
 OR {  365}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  368}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     2.100     1.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.29316E-03 ppm1      4.047 ppm2      0.702 CV     1
 ASSI {  369}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 14   and name HD1%)
      4.500     2.600     1.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.23351E-03 ppm1      3.852 ppm2      0.701 CV     1
 ASSI {  375}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.22128E-02 ppm1      1.253 ppm2      9.224 CV     1
 ASSI {  376}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.19498E-02 ppm1      2.100 ppm2      4.237 CV     1
 ASSI {  377}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.33523E-02 ppm1      1.255 ppm2      4.240 CV     1
 ASSI {  378}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   378 spectrum    1 weight  0.10000E+01 volume  0.32019E-02 ppm1      4.232 ppm2      9.225 CV     1
 ASSI {  383}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.14441E-02 ppm1      1.252 ppm2      8.897 CV     1
 ASSI {  384}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      5.500     3.800     0.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.37720E-03 ppm1      2.101 ppm2      8.382 CV     1
 ASSI {  385}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      4.900     3.000     1.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.42664E-03 ppm1      4.239 ppm2      8.388 CV     1
 ASSI {  389}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 32   and name HE% )
      4.200     2.200     1.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.21728E-03 ppm1      2.103 ppm2      6.952 CV     1
 ASSI {  391}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 32   and name HE% )
      5.300     3.500     0.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.26817E-03 ppm1      1.250 ppm2      6.976 CV     1
 ASSI {  396}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HA2 ))
      6.000     4.600     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.19994E-03 ppm1      2.096 ppm2      3.863 CV     1
 ASSI {  403}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 69   and name HG1%)
      3.700     1.700     1.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.88914E-03 ppm1      1.256 ppm2      0.419 CV     1
 ASSI {  406}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 11   and name HN  ))
      2.000     0.500     0.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.25221E-02 ppm1      1.965 ppm2      9.224 CV     1
 ASSI {  407}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 54   and name HE% )
      3.600     1.600     1.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.77762E-03 ppm1      1.968 ppm2      7.116 CV     1
 ASSI {  408}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 54   and name HD% )
      4.500     2.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      1.969 ppm2      7.449 CV     1
 ASSI {  409}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 10   and name HN  ))
      5.000     3.100     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.29192E-03 ppm1      1.962 ppm2      8.381 CV     1
 ASSI {  411}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   411 spectrum    1 weight  0.10000E+01 volume  0.96652E-03 ppm1      1.967 ppm2      4.239 CV     1
 ASSI {  415}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.16855E-02 ppm1      1.966 ppm2      1.263 CV     1
 ASSI {  416}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 11   and name HD1%)
      1.700     0.400     0.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.16554E-01 ppm1      1.965 ppm2      0.844 CV     1
 OR {  416}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  417}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.25089E-02 ppm1      0.832 ppm2      9.224 CV     1
 ASSI {  418}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.13152E-02 ppm1      0.851 ppm2      9.223 CV     1
 ASSI {  419}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      5.500     3.800     0.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.30246E-03 ppm1      0.854 ppm2      8.895 CV     1
 ASSI {  421}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 32   and name HE% )
      4.000     2.000     2.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.68058E-03 ppm1      0.852 ppm2      6.975 CV     1
 ASSI {  422}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 32   and name HZ  ))
      3.000     1.200     1.200 peak   422 spectrum    1 weight  0.10000E+01 volume  0.12004E-02 ppm1      0.851 ppm2      6.856 CV     1
 ASSI {  425}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.400     1.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.38577E-02 ppm1      0.852 ppm2      7.701 CV     1
 ASSI {  426}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.84604E-03 ppm1      0.830 ppm2      8.638 CV     1
 ASSI {  427}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      4.700     2.800     1.300 peak   427 spectrum    1 weight  0.10000E+01 volume  0.43301E-03 ppm1      0.831 ppm2      8.893 CV     1
 ASSI {  431}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      4.100     2.100     1.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.56953E-03 ppm1      0.832 ppm2      6.979 CV     1
 ASSI {  432}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
      3.000     1.100     1.100 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13308E-02 ppm1      0.831 ppm2      6.857 CV     1
 ASSI {  433}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.78431E-02 ppm1      0.851 ppm2      4.236 CV     1
 ASSI {  434}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
      5.500     3.800     0.500 peak   434 spectrum    1 weight  0.10000E+01 volume  0.22336E-03 ppm1      0.854 ppm2      3.663 CV     1
 ASSI {  436}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.16721E-02 ppm1      0.832 ppm2      4.231 CV     1
 ASSI {  444}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.53093E-02 ppm1      0.831 ppm2      1.262 CV     1
 ASSI {  445}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.42619E-02 ppm1      0.851 ppm2      1.257 CV     1
 ASSI {  447}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.000     1.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.36530E-02 ppm1      2.044 ppm2      8.343 CV     1
 OR {  447}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  452}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      2.600     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.46373E-02 ppm1      4.117 ppm2      1.506 CV     1
 ASSI {  453}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.37429E-02 ppm1      4.035 ppm2      8.899 CV     1
 ASSI {  454}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak   454 spectrum    1 weight  0.10000E+01 volume  0.82373E-02 ppm1      1.663 ppm2      8.897 CV     1
 ASSI {  455}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.900     3.000     1.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.20767E-03 ppm1      4.033 ppm2      9.225 CV     1
 ASSI {  456}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.61649E-03 ppm1      1.657 ppm2      9.225 CV     1
 ASSI {  459}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak   459 spectrum    1 weight  0.10000E+01 volume  0.10992E-02 ppm1      4.034 ppm2      8.772 CV     1
 ASSI {  460}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.56750E-03 ppm1      4.037 ppm2      8.673 CV     1
 ASSI {  461}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.38257E-02 ppm1      1.663 ppm2      7.938 CV     1
 ASSI {  463}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      5.300     3.500     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.37510E-03 ppm1      4.035 ppm2      7.479 CV     1
 ASSI {  465}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      3.300     3.300     2.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.41151E-02 ppm1      1.663 ppm2      4.213 CV     1
 ASSI {  467}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.900     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.33885E-02 ppm1      1.664 ppm2      3.597 CV     1
 ASSI {  471}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.900     1.100     1.100 peak   471 spectrum    1 weight  0.10000E+01 volume  0.28989E-02 ppm1      4.036 ppm2      1.167 CV     1
 ASSI {  473}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      2.200     0.600     0.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.77843E-02 ppm1      4.035 ppm2      0.723 CV     1
 ASSI {  479}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.41529E-02 ppm1      3.925 ppm2      7.938 CV     1
 ASSI {  480}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.34810E-02 ppm1      2.282 ppm2      7.938 CV     1
 ASSI {  481}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak   481 spectrum    1 weight  0.10000E+01 volume  0.32391E-02 ppm1      2.205 ppm2      7.938 CV     1
 ASSI {  486}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      4.700     2.700     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.40682E-03 ppm1      3.918 ppm2      4.652 CV     1
 ASSI {  493}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HG1 ))
      2.800     1.000     1.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.41177E-02 ppm1      2.282 ppm2      2.596 CV     1
 ASSI {  494}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG1 ))
      2.400     0.700     0.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.43162E-02 ppm1      2.204 ppm2      2.596 CV     1
 ASSI {  496}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.300     1.300     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.25374E-02 ppm1      3.924 ppm2      2.595 CV     1
 ASSI {  497}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.400     0.700     0.700 peak   497 spectrum    1 weight  0.10000E+01 volume  0.48886E-02 ppm1      3.925 ppm2      0.970 CV     1
 OR {  497}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI {  499}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.27435E-02 ppm1      2.286 ppm2      7.939 CV     1
 ASSI {  501}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.49907E-03 ppm1      2.592 ppm2      8.182 CV     1
 ASSI {  502}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      5.300     3.400     0.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.24139E-03 ppm1      2.287 ppm2      8.381 CV     1
 ASSI {  505}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      5.500     3.700     0.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.22626E-03 ppm1      2.601 ppm2      8.895 CV     1
 ASSI {  506}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.000     1.100 peak   506 spectrum    1 weight  0.10000E+01 volume  0.18376E-03 ppm1      2.288 ppm2      8.899 CV     1
 ASSI {  508}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   508 spectrum    1 weight  0.10000E+01 volume  0.27758E-02 ppm1      2.284 ppm2      3.928 CV     1
 ASSI {  509}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.14123E-03 ppm1      2.277 ppm2      3.793 CV     1
 ASSI {  512}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 10   and name HA1 ))
      5.000     3.100     1.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.85668E-03 ppm1      2.594 ppm2      4.064 CV     1
 ASSI {  513}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   513 spectrum    1 weight  0.10000E+01 volume  0.41452E-02 ppm1      3.088 ppm2      8.678 CV     1
 ASSI {  514}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.600     0.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.39919E-02 ppm1      2.727 ppm2      8.680 CV     1
 ASSI {  516}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD22))
      3.800     1.800     1.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.12763E-02 ppm1      2.726 ppm2      8.050 CV     1
 ASSI {  517}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD22))
      3.700     1.800     1.800 peak   517 spectrum    1 weight  0.10000E+01 volume  0.23340E-02 ppm1      3.088 ppm2      8.048 CV     1
 ASSI {  519}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      4.100     2.100     1.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.86273E-03 ppm1      4.645 ppm2      8.053 CV     1
 ASSI {  522}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      3.400     1.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.39476E-03 ppm1      4.646 ppm2      6.854 CV     1
 ASSI {  524}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD21))
      3.600     1.600     1.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.14846E-02 ppm1      3.089 ppm2      6.845 CV     1
 ASSI {  525}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD21))
      2.900     1.000     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.73193E-03 ppm1      2.727 ppm2      6.847 CV     1
 ASSI {  529}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.28278E-02 ppm1      3.088 ppm2      4.653 CV     1
 ASSI {  530}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.20891E-02 ppm1      2.730 ppm2      4.643 CV     1
 ASSI {  531}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.23084E-02 ppm1      3.088 ppm2      3.928 CV     1
 ASSI {  532}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   532 spectrum    1 weight  0.10000E+01 volume  0.32388E-02 ppm1      2.728 ppm2      3.928 CV     1
 ASSI {  536}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
      2.300     0.700     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.70386E-02 ppm1      3.087 ppm2      0.964 CV     1
 OR {  536}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  538}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.33193E-02 ppm1      4.392 ppm2      7.847 CV     1
 ASSI {  539}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.100     0.500     0.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.10570E-01 ppm1      4.392 ppm2      8.316 CV     1
 ASSI {  555}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      3.300     1.300     1.300 peak   555 spectrum    1 weight  0.10000E+01 volume  0.82437E-03 ppm1      4.394 ppm2      1.992 CV     1
 ASSI {  556}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.600     0.900     0.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.58324E-02 ppm1      4.392 ppm2      2.132 CV     1
 ASSI {  557}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.51498E-02 ppm1      4.392 ppm2      2.325 CV     1
 ASSI {  560}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      2.800     1.000     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.39421E-02 ppm1      4.393 ppm2      0.942 CV     1
 OR {  560}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  565}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
      4.600     2.700     1.400 peak   565 spectrum    1 weight  0.10000E+01 volume  0.34108E-03 ppm1      4.391 ppm2      4.683 CV     1
 ASSI {  567}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.400     0.700     0.700 peak   567 spectrum    1 weight  0.10000E+01 volume  0.23520E-02 ppm1      2.577 ppm2      7.848 CV     1
 ASSI {  570}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 81   and name HN  ))
      4.700     2.800     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.62806E-03 ppm1      2.685 ppm2      8.317 CV     1
 ASSI {  574}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak   574 spectrum    1 weight  0.10000E+01 volume  0.20181E-03 ppm1      2.570 ppm2      3.478 CV     1
 ASSI {  575}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.600     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.10952E-02 ppm1      2.688 ppm2      3.879 CV     1
 ASSI {  576}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.900     0.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      2.577 ppm2      3.880 CV     1
 ASSI {  577}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.82033E-03 ppm1      2.688 ppm2      4.403 CV     1
 ASSI {  578}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.200     1.300     1.300 peak   578 spectrum    1 weight  0.10000E+01 volume  0.93558E-03 ppm1      2.577 ppm2      4.400 CV     1
 ASSI {  581}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 56   and name HG1%)
      4.300     2.300     1.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.46082E-03 ppm1      2.576 ppm2      0.950 CV     1
 OR {  581}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  582}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 56   and name HG1%)
      4.800     2.900     1.200 peak   582 spectrum    1 weight  0.10000E+01 volume  0.43987E-03 ppm1      2.688 ppm2      0.947 CV     1
 OR {  582}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  585}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.54942E-02 ppm1      3.908 ppm2      8.400 CV     1
 ASSI {  586}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.45374E-02 ppm1      2.246 ppm2      8.400 CV     1
 ASSI {  588}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      5.100     3.200     0.900 peak   588 spectrum    1 weight  0.10000E+01 volume  0.29281E-03 ppm1      2.246 ppm2      8.663 CV     1
 ASSI {  589}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      5.700     4.000     0.300 peak   589 spectrum    1 weight  0.10000E+01 volume  0.15317E-03 ppm1      2.109 ppm2      8.660 CV     1
 ASSI {  590}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.500     1.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.35780E-02 ppm1      2.113 ppm2      8.210 CV     1
 ASSI {  591}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   591 spectrum    1 weight  0.10000E+01 volume  0.25588E-02 ppm1      3.908 ppm2      8.212 CV     1
 ASSI {  596}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.61694E-02 ppm1      2.249 ppm2      3.917 CV     1
 ASSI {  597}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.44604E-02 ppm1      2.112 ppm2      3.914 CV     1
 ASSI {  599}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.75488E-03 ppm1      2.112 ppm2      3.791 CV     1
 ASSI {  601}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      2.800     1.000     1.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.32760E-02 ppm1      3.908 ppm2      2.427 CV     1
 ASSI {  602}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.16929E-02 ppm1      2.422 ppm2      8.401 CV     1
 ASSI {  603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      2.246 ppm2      8.399 CV     1
 ASSI {  604}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.90470E-03 ppm1      2.423 ppm2      8.205 CV     1
 ASSI {  605}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      2.244 ppm2      8.202 CV     1
 ASSI {  606}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.600     1.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.15536E-02 ppm1      2.260 ppm2      7.731 CV     1
 OR {  606}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  607}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak   607 spectrum    1 weight  0.10000E+01 volume  0.12976E-02 ppm1      2.423 ppm2      7.738 CV     1
 ASSI {  611}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   611 spectrum    1 weight  0.10000E+01 volume  0.28022E-02 ppm1      2.244 ppm2      3.911 CV     1
 ASSI {  615}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   615 spectrum    1 weight  0.10000E+01 volume  0.61322E-02 ppm1      4.021 ppm2      9.221 CV     1
 ASSI {  617}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.10202E-01 ppm1      1.975 ppm2      4.027 CV     1
 OR {  617}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  619}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      4.700     2.700     1.300 peak   619 spectrum    1 weight  0.10000E+01 volume  0.31918E-03 ppm1      4.020 ppm2      8.519 CV     1
 ASSI {  620}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      5.300     3.500     0.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.17200E-03 ppm1      1.984 ppm2      8.516 CV     1
 OR {  620}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  623}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.200     1.200 peak   623 spectrum    1 weight  0.10000E+01 volume  0.17787E-02 ppm1      4.021 ppm2      7.730 CV     1
 ASSI {  624}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.400     1.600 peak   624 spectrum    1 weight  0.10000E+01 volume  0.56326E-03 ppm1      1.979 ppm2      7.482 CV     1
 OR {  624}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  625}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      4.500     2.500     1.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.73138E-03 ppm1      4.022 ppm2      4.325 CV     1
 ASSI {  628}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      2.100     2.100     3.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.33875E-02 ppm1      4.023 ppm2      0.962 CV     1
 ASSI {  630}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.800     4.100     0.200 peak   630 spectrum    1 weight  0.10000E+01 volume  0.19987E-03 ppm1      4.019 ppm2      2.585 CV     1
 ASSI {  631}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.000     3.100     1.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.36320E-03 ppm1      4.023 ppm2      2.698 CV     1
 ASSI {  633}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.300     2.300     1.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.29672E-03 ppm1      2.262 ppm2      8.521 CV     1
 OR {  633}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  634}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      5.000     3.200     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.30727E-03 ppm1      2.260 ppm2      7.492 CV     1
 OR {  634}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  635}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      5.400     3.600     0.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.20447E-03 ppm1      2.266 ppm2      4.590 CV     1
 OR {  635}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  639}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.27468E-02 ppm1      2.442 ppm2      6.988 CV     1
 ASSI {  640}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.28921E-02 ppm1      2.275 ppm2      6.987 CV     1
 ASSI {  641}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.42758E-02 ppm1      4.049 ppm2      6.988 CV     1
 ASSI {  642}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.25045E-02 ppm1      2.142 ppm2      6.987 CV     1
 ASSI {  644}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      4.048 ppm2      8.052 CV     1
 ASSI {  645}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.11344E-02 ppm1      2.293 ppm2      8.051 CV     1
 ASSI {  646}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.99753E-03 ppm1      2.140 ppm2      8.049 CV     1
 ASSI {  648}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak   648 spectrum    1 weight  0.10000E+01 volume  0.18985E-02 ppm1      4.050 ppm2      7.789 CV     1
 ASSI {  649}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      4.400     2.400     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.96843E-03 ppm1      2.287 ppm2      4.259 CV     1
 ASSI {  650}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   650 spectrum    1 weight  0.10000E+01 volume  0.85658E-03 ppm1      2.139 ppm2      4.261 CV     1
 ASSI {  651}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      4.900     3.100     1.100 peak   651 spectrum    1 weight  0.10000E+01 volume  0.48475E-03 ppm1      4.050 ppm2      4.286 CV     1
 ASSI {  654}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.400     1.400     1.400 peak   654 spectrum    1 weight  0.10000E+01 volume  0.23075E-02 ppm1      4.051 ppm2      2.449 CV     1
 ASSI {  656}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.65092E-02 ppm1      4.050 ppm2      2.150 CV     1
 ASSI {  657}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.42457E-02 ppm1      4.051 ppm2      2.048 CV     1
 ASSI {  658}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
      2.400     0.700     0.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.30300E-02 ppm1      2.140 ppm2      0.764 CV     1
 ASSI {  660}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.900     1.000     1.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.44304E-02 ppm1      4.050 ppm2      1.099 CV     1
 ASSI {  662}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      4.000     2.000     2.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.88494E-03 ppm1      4.050 ppm2      0.763 CV     1
 ASSI {  663}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      5.000     3.100     1.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.46726E-03 ppm1      4.054 ppm2      1.311 CV     1
 ASSI {  664}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      4.900     2.900     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.38849E-03 ppm1      2.443 ppm2      8.043 CV     1
 ASSI {  665}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      4.600     2.700     1.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.58561E-03 ppm1      2.269 ppm2      8.047 CV     1
 ASSI {  668}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.37891E-02 ppm1      4.163 ppm2      8.814 CV     1
 ASSI {  671}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.800     1.800     1.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.58593E-03 ppm1      4.164 ppm2      8.091 CV     1
 ASSI {  675}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.900     1.000     1.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.38237E-02 ppm1      4.163 ppm2      2.809 CV     1
 ASSI {  679}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      2.800     1.000     1.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.41869E-02 ppm1      4.163 ppm2      0.929 CV     1
 OR {  679}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  683}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.500     2.600     1.500 peak   683 spectrum    1 weight  0.10000E+01 volume  0.49380E-03 ppm1      2.807 ppm2      7.757 CV     1
 ASSI {  684}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
      5.000     3.100     1.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.54755E-03 ppm1      2.812 ppm2      4.694 CV     1
 ASSI {  688}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.33232E-02 ppm1      2.281 ppm2      4.167 CV     1
 ASSI {  689}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      4.200     2.200     1.800 peak   689 spectrum    1 weight  0.10000E+01 volume  0.27772E-03 ppm1      2.814 ppm2      3.282 CV     1
 ASSI {  698}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      4.600     2.700     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.50813E-03 ppm1      4.103 ppm2      8.816 CV     1
 ASSI {  699}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.300     1.300 peak   699 spectrum    1 weight  0.10000E+01 volume  0.16337E-02 ppm1      4.101 ppm2      8.220 CV     1
 ASSI {  702}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.36540E-02 ppm1      2.021 ppm2      4.105 CV     1
 ASSI {  703}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.900     1.900     1.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.17407E-02 ppm1      2.111 ppm2      4.222 CV     1
 ASSI {  704}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.900     1.900     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      2.021 ppm2      4.229 CV     1
 ASSI {  705}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.31282E-02 ppm1      2.019 ppm2      7.737 CV     1
 ASSI {  706}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.900     3.100     1.100 peak   706 spectrum    1 weight  0.10000E+01 volume  0.40789E-03 ppm1      2.016 ppm2      8.807 CV     1
 ASSI {  708}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.17435E-02 ppm1      2.019 ppm2      8.222 CV     1
 ASSI {  712}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.700     0.900     0.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.21387E-02 ppm1      4.608 ppm2      2.043 CV     1
 ASSI {  715}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.500     1.500     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.11591E-02 ppm1      4.608 ppm2      1.512 CV     1
 ASSI {  717}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.14361E-02 ppm1      2.034 ppm2      6.350 CV     1
 ASSI {  718}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.19767E-02 ppm1      1.504 ppm2      6.351 CV     1
 ASSI {  719}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.100     0.600     0.600 peak   719 spectrum    1 weight  0.10000E+01 volume  0.13576E-02 ppm1      1.507 ppm2      8.435 CV     1
 ASSI {  720}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak   720 spectrum    1 weight  0.10000E+01 volume  0.23204E-02 ppm1      2.035 ppm2      8.439 CV     1
 ASSI {  722}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      5.100     3.200     0.900 peak   722 spectrum    1 weight  0.10000E+01 volume  0.49193E-03 ppm1      1.501 ppm2      7.505 CV     1
 ASSI {  726}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HE2 ))
      4.400     2.400     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.64811E-03 ppm1      2.037 ppm2      3.013 CV     1
 OR {  726}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI {  728}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE2 ))
      4.200     2.200     1.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.86761E-03 ppm1      1.510 ppm2      2.999 CV     1
 OR {  728}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI {  730}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.34334E-02 ppm1      1.314 ppm2      6.351 CV     1
 OR {  730}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  732}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.100     1.100 peak   732 spectrum    1 weight  0.10000E+01 volume  0.23778E-02 ppm1      1.317 ppm2      7.498 CV     1
 OR {  732}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  734}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HE1 ))
      2.800     1.000     1.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.36633E-02 ppm1      1.314 ppm2      3.021 CV     1
 OR {  734}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  734}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HE2 ))
 OR {  734}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI {  737}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.25717E-02 ppm1      1.313 ppm2      4.613 CV     1
 OR {  737}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  741}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HN  ))
      5.500     3.800     0.500 peak   741 spectrum    1 weight  0.10000E+01 volume  0.31646E-03 ppm1      1.710 ppm2      6.351 CV     1
 ASSI {  742}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      5.100     3.200     0.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.26675E-03 ppm1      1.605 ppm2      6.351 CV     1
 ASSI {  743}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      5.000     3.100     1.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.42034E-03 ppm1      1.710 ppm2      4.612 CV     1
 ASSI {  744}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      5.300     3.500     0.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.40006E-03 ppm1      1.607 ppm2      4.610 CV     1
 ASSI {  745}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.300     0.700     0.700 peak   745 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      4.384 ppm2      7.499 CV     1
 ASSI {  746}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.500     0.800     0.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.16118E-02 ppm1      4.382 ppm2      3.015 CV     1
 ASSI {  747}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.300     0.700     0.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.26872E-02 ppm1      4.382 ppm2      2.039 CV     1
 ASSI {  749}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      1.900     0.500     0.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.48203E-02 ppm1      4.385 ppm2      1.541 CV     1
 ASSI {  750}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak   750 spectrum    1 weight  0.10000E+01 volume  0.41730E-02 ppm1      4.386 ppm2      1.339 CV     1
 ASSI {  754}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.100     2.100     1.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11402E-02 ppm1      2.030 ppm2      6.350 CV     1
 ASSI {  755}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.82104E-03 ppm1      1.345 ppm2      6.353 CV     1
 ASSI {  756}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      5.000     3.100     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.20198E-03 ppm1      1.339 ppm2      8.380 CV     1
 ASSI {  757}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      5.400     3.700     0.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.40275E-03 ppm1      2.033 ppm2      8.376 CV     1
 ASSI {  758}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.600     0.800     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.10632E-02 ppm1      2.030 ppm2      3.011 CV     1
 ASSI {  759}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.17276E-02 ppm1      1.344 ppm2      3.012 CV     1
 ASSI {  763}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.000     0.500     0.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.82040E-02 ppm1      4.384 ppm2     10.182 CV     1
 ASSI {  766}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 69   and name HG1%)
      2.700     0.900     0.900 peak   766 spectrum    1 weight  0.10000E+01 volume  0.10227E-02 ppm1      1.347 ppm2      0.419 CV     1
 ASSI {  767}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   767 spectrum    1 weight  0.10000E+01 volume  0.81956E-03 ppm1      1.537 ppm2      7.498 CV     1
 ASSI {  768}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.400     1.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.77403E-03 ppm1      1.446 ppm2      7.496 CV     1
 ASSI {  769}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.700     2.700     1.300 peak   769 spectrum    1 weight  0.10000E+01 volume  0.55191E-03 ppm1      1.539 ppm2      6.350 CV     1
 ASSI {  770}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      4.700     2.700     1.300 peak   770 spectrum    1 weight  0.10000E+01 volume  0.55472E-03 ppm1      1.450 ppm2      6.351 CV     1
 ASSI {  774}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.300     1.400     1.400 peak   774 spectrum    1 weight  0.10000E+01 volume  0.19010E-02 ppm1      1.446 ppm2      4.390 CV     1
 ASSI {  777}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.100     0.600     0.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.32073E-02 ppm1      1.446 ppm2      2.986 CV     1
 ASSI {  778}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.200     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.30468E-02 ppm1      1.541 ppm2      2.980 CV     1
 ASSI {  780}
   (( segid "    " and resid 30   and name HD2 ))
   (  segid "    " and resid 36   and name HD2%)
      3.000     1.100     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.70958E-03 ppm1      1.442 ppm2      0.758 CV     1
 ASSI {  782}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.800     0.800 peak   782 spectrum    1 weight  0.10000E+01 volume  0.47440E-02 ppm1      1.666 ppm2      8.189 CV     1
 OR {  782}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  783}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.700     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.72465E-03 ppm1      1.664 ppm2      3.790 CV     1
 OR {  783}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR {  783}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR {  783}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI {  784}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.30343E-02 ppm1      1.666 ppm2      4.690 CV     1
 OR {  784}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  785}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HE1 ))
      4.200     2.200     1.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.67728E-03 ppm1      1.662 ppm2      2.942 CV     1
 OR {  785}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR {  785}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HE1 ))
 OR {  785}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HE2 ))
 ASSI {  786}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
      4.800     2.900     1.200 peak   786 spectrum    1 weight  0.10000E+01 volume  0.55822E-03 ppm1      1.661 ppm2      2.306 CV     1
 OR {  786}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  787}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.700     1.700     1.700 peak   787 spectrum    1 weight  0.10000E+01 volume  0.37368E-03 ppm1      4.680 ppm2      2.279 CV     1
 ASSI {  788}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HG1 ))
      2.200     0.600     0.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.10569E-01 ppm1      1.666 ppm2      1.351 CV     1
 OR {  788}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG2 ))
 OR {  788}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG1 ))
 OR {  788}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI {  789}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
      5.000     3.200     1.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.15364E-03 ppm1      4.682 ppm2      1.330 CV     1
 OR {  789}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG1 ))
 ASSI {  793}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HN  ))
      5.000     3.100     1.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.33400E-03 ppm1      1.635 ppm2      8.191 CV     1
 OR {  793}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  794}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12383E-02 ppm1      1.631 ppm2      4.692 CV     1
 OR {  794}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  795}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.700     1.700     1.700 peak   795 spectrum    1 weight  0.10000E+01 volume  0.48646E-03 ppm1      1.640 ppm2      2.432 CV     1
 OR {  795}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  796}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      4.300     2.400     1.700 peak   796 spectrum    1 weight  0.10000E+01 volume  0.52355E-03 ppm1      1.638 ppm2      2.262 CV     1
 OR {  796}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  797}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 51   and name HB2 ))
      4.500     2.500     1.500 peak   797 spectrum    1 weight  0.10000E+01 volume  0.60132E-03 ppm1      1.636 ppm2      2.113 CV     1
 OR {  797}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  798}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 64   and name HN  ))
      5.300     3.500     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.22347E-03 ppm1      2.980 ppm2      7.087 CV     1
 OR {  798}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  799}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.37487E-02 ppm1      4.081 ppm2      7.095 CV     1
 ASSI {  800}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   800 spectrum    1 weight  0.10000E+01 volume  0.14983E-02 ppm1      4.080 ppm2      7.293 CV     1
 ASSI {  801}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.84109E-03 ppm1      4.080 ppm2      7.682 CV     1
 ASSI {  806}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak   806 spectrum    1 weight  0.10000E+01 volume  0.59156E-03 ppm1      1.741 ppm2      7.286 CV     1
 ASSI {  809}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
      4.600     2.600     1.400 peak   809 spectrum    1 weight  0.10000E+01 volume  0.41652E-03 ppm1      1.806 ppm2      2.985 CV     1
 OR {  809}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI {  811}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
      4.000     2.000     2.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.50127E-03 ppm1      1.743 ppm2      2.988 CV     1
 OR {  811}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI {  813}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 62   and name HA  ))
      5.200     3.400     0.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.26091E-03 ppm1      4.077 ppm2      4.659 CV     1
 ASSI {  814}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      4.200     2.200     1.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.42606E-03 ppm1      4.082 ppm2      4.879 CV     1
 ASSI {  815}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.700     0.900     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.36650E-02 ppm1      4.080 ppm2      1.392 CV     1
 OR {  815}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI {  816}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      4.700     2.800     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.30248E-03 ppm1      1.742 ppm2      3.239 CV     1
 ASSI {  818}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 63   and name HN  ))
      4.000     2.000     2.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.38891E-03 ppm1      1.388 ppm2      7.705 CV     1
 ASSI {  824}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 62   and name HB1 ))
      4.300     2.400     1.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.21320E-03 ppm1      1.381 ppm2      2.388 CV     1
 OR {  824}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  827}
   (( segid "    " and resid 64   and name HE2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     3.200     2.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.28119E-03 ppm1      2.974 ppm2      7.720 CV     1
 OR {  827}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  829}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.700     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.79259E-03 ppm1      1.656 ppm2      7.089 CV     1
 OR {  829}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  830}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.500     3.500     2.500 peak   830 spectrum    1 weight  0.10000E+01 volume  0.17912E-03 ppm1      1.654 ppm2      7.282 CV     1
 OR {  830}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  832}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     3.500     2.500 peak   832 spectrum    1 weight  0.10000E+01 volume  0.17743E-03 ppm1      1.656 ppm2      7.728 CV     1
 OR {  832}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  834}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
      4.600     2.600     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.72902E-03 ppm1      1.655 ppm2      4.069 CV     1
 OR {  834}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  837}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.44291E-02 ppm1      4.476 ppm2      8.349 CV     1
 ASSI {  838}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.600     1.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.66376E-03 ppm1      4.481 ppm2      8.570 CV     1
 ASSI {  840}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak   840 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      4.484 ppm2      2.879 CV     1
 ASSI {  841}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.700     0.900     0.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.15083E-02 ppm1      4.484 ppm2      2.224 CV     1
 ASSI {  849}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HE1 ))
      4.900     3.000     1.100 peak   849 spectrum    1 weight  0.10000E+01 volume  0.78893E-03 ppm1      2.045 ppm2      3.080 CV     1
 OR {  849}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI {  855}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 66   and name HD1%)
      5.700     4.100     0.300 peak   855 spectrum    1 weight  0.10000E+01 volume  0.16825E-03 ppm1      3.081 ppm2      0.389 CV     1
 ASSI {  858}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 66   and name HB1 ))
      4.300     2.400     1.700 peak   858 spectrum    1 weight  0.10000E+01 volume  0.33788E-03 ppm1      2.878 ppm2      2.220 CV     1
 ASSI {  859}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.000     2.000     2.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.75414E-03 ppm1      2.881 ppm2      4.098 CV     1
 ASSI {  862}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.100     1.200     1.200 peak   862 spectrum    1 weight  0.10000E+01 volume  0.81807E-03 ppm1      1.553 ppm2      8.346 CV     1
 ASSI {  863}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      4.300     2.300     1.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.85849E-03 ppm1      1.443 ppm2      8.344 CV     1
 ASSI {  864}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HN  ))
      4.400     2.400     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.47256E-03 ppm1      1.737 ppm2      8.335 CV     1
 OR {  864}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  865}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      5.500     3.700     0.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.28825E-03 ppm1      1.441 ppm2      8.567 CV     1
 ASSI {  866}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      4.200     2.200     1.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.31507E-03 ppm1      1.555 ppm2      8.573 CV     1
 ASSI {  867}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 68   and name HN  ))
      4.400     2.400     1.600 peak   867 spectrum    1 weight  0.10000E+01 volume  0.16088E-03 ppm1      1.741 ppm2      8.556 CV     1
 OR {  867}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI {  869}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
      5.300     3.500     0.700 peak   869 spectrum    1 weight  0.10000E+01 volume  0.14853E-03 ppm1      1.740 ppm2      4.868 CV     1
 OR {  869}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  871}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HE1 ))
      3.300     1.300     1.300 peak   871 spectrum    1 weight  0.10000E+01 volume  0.90696E-03 ppm1      1.552 ppm2      3.079 CV     1
 OR {  871}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI {  872}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.35967E-02 ppm1      3.923 ppm2      8.024 CV     1
 ASSI {  873}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.33811E-02 ppm1      1.951 ppm2      8.026 CV     1
 ASSI {  874}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.300     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.59343E-02 ppm1      1.878 ppm2      8.032 CV     1
 ASSI {  877}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      4.800     2.900     1.200 peak   877 spectrum    1 weight  0.10000E+01 volume  0.29506E-03 ppm1      1.873 ppm2      8.635 CV     1
 ASSI {  880}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10846E-02 ppm1      1.882 ppm2      7.921 CV     1
 ASSI {  881}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.300     1.400     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.11431E-02 ppm1      3.922 ppm2      7.921 CV     1
 ASSI {  882}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.600     1.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.88051E-03 ppm1      1.880 ppm2      4.474 CV     1
 ASSI {  884}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.80704E-03 ppm1      3.920 ppm2      4.215 CV     1
 ASSI {  887}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      6.000     4.600     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.21153E-03 ppm1      3.930 ppm2      4.469 CV     1
 ASSI {  888}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak   888 spectrum    1 weight  0.10000E+01 volume  0.33390E-02 ppm1      1.953 ppm2      3.929 CV     1
 ASSI {  889}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   889 spectrum    1 weight  0.10000E+01 volume  0.37057E-02 ppm1      1.881 ppm2      3.933 CV     1
 ASSI {  892}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      3.100     1.200     1.200 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      3.919 ppm2      1.097 CV     1
 ASSI {  893}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      2.900     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.25889E-02 ppm1      3.920 ppm2      1.437 CV     1
 OR {  893}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  896}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.800     2.900     1.200 peak   896 spectrum    1 weight  0.10000E+01 volume  0.63126E-03 ppm1      1.427 ppm2      8.026 CV     1
 OR {  896}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  897}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     2.600     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.36026E-03 ppm1      1.433 ppm2      7.924 CV     1
 OR {  897}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  902}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HE1 ))
      3.400     1.500     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.13147E-02 ppm1      1.433 ppm2      3.022 CV     1
 OR {  902}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HE2 ))
 OR {  902}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HE2 ))
 OR {  902}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI {  905}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HN  ))
      5.500     3.800     0.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.18166E-03 ppm1      1.765 ppm2      8.032 CV     1
 ASSI {  906}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.400     1.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.23092E-03 ppm1      1.627 ppm2      8.029 CV     1
 ASSI {  907}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   907 spectrum    1 weight  0.10000E+01 volume  0.16008E-02 ppm1      1.633 ppm2      3.930 CV     1
 ASSI {  909}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.19245E-02 ppm1      3.025 ppm2      7.281 CV     1
 ASSI {  910}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.13484E-02 ppm1      3.025 ppm2      4.862 CV     1
 ASSI {  911}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
      3.500     1.600     1.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.28691E-02 ppm1      2.717 ppm2      7.735 CV     1
 ASSI {  912}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HD22))
      3.800     1.800     1.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.21059E-02 ppm1      3.026 ppm2      7.735 CV     1
 ASSI {  913}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD21))
      3.100     1.200     1.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.99783E-03 ppm1      2.719 ppm2      6.992 CV     1
 ASSI {  914}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HD21))
      3.700     1.700     1.700 peak   914 spectrum    1 weight  0.10000E+01 volume  0.82033E-03 ppm1      3.027 ppm2      6.992 CV     1
 ASSI {  915}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.400     1.400 peak   915 spectrum    1 weight  0.10000E+01 volume  0.16293E-02 ppm1      2.719 ppm2      4.846 CV     1
 ASSI {  923}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     0.900     0.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.25607E-02 ppm1      2.666 ppm2      7.729 CV     1
 ASSI {  924}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.36029E-02 ppm1      2.572 ppm2      7.729 CV     1
 ASSI {  927}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.10993E-02 ppm1      2.576 ppm2      7.481 CV     1
 ASSI {  928}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.500     1.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.94987E-03 ppm1      4.576 ppm2      7.482 CV     1
 ASSI {  931}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      5.400     3.600     0.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.31441E-03 ppm1      2.577 ppm2      9.227 CV     1
 ASSI {  932}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.400     1.400 peak   932 spectrum    1 weight  0.10000E+01 volume  0.14887E-02 ppm1      2.668 ppm2      4.585 CV     1
 ASSI {  933}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.16561E-02 ppm1      2.575 ppm2      4.585 CV     1
 ASSI {  934}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HE1 ))
      3.800     1.800     1.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.64921E-03 ppm1      4.577 ppm2      3.031 CV     1
 OR {  934}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI {  935}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.300     2.300     1.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.44666E-03 ppm1      2.672 ppm2      1.744 CV     1
 ASSI {  936}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   936 spectrum    1 weight  0.10000E+01 volume  0.29074E-03 ppm1      2.566 ppm2      1.746 CV     1
 ASSI {  939}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 21   and name HG2%)
      2.300     0.600     0.600 peak   939 spectrum    1 weight  0.10000E+01 volume  0.47547E-02 ppm1      2.680 ppm2      0.977 CV     1
 ASSI {  941}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.20845E-02 ppm1      2.751 ppm2      8.380 CV     1
 ASSI {  942}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.23358E-02 ppm1      2.572 ppm2      8.380 CV     1
 ASSI {  943}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   943 spectrum    1 weight  0.10000E+01 volume  0.36899E-02 ppm1      2.749 ppm2      4.470 CV     1
 ASSI {  945}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   945 spectrum    1 weight  0.10000E+01 volume  0.15242E-02 ppm1      4.463 ppm2      7.501 CV     1
 ASSI {  946}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.67088E-02 ppm1      4.464 ppm2      2.579 CV     1
 ASSI {  947}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.400     1.600 peak   947 spectrum    1 weight  0.10000E+01 volume  0.61746E-03 ppm1      2.574 ppm2      7.501 CV     1
 ASSI {  953}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      5.100     3.200     0.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.18570E-03 ppm1      4.565 ppm2      8.575 CV     1
 ASSI {  954}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.71731E-03 ppm1      2.752 ppm2      7.679 CV     1
 ASSI {  955}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.43139E-03 ppm1      4.571 ppm2      7.673 CV     1
 ASSI {  958}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.15230E-02 ppm1      2.754 ppm2      3.844 CV     1
 ASSI {  959}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak   959 spectrum    1 weight  0.10000E+01 volume  0.17142E-02 ppm1      4.568 ppm2      2.424 CV     1
 ASSI {  960}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.100     1.200     1.200 peak   960 spectrum    1 weight  0.10000E+01 volume  0.27734E-02 ppm1      4.568 ppm2      2.759 CV     1
 ASSI {  962}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      4.800     2.900     1.200 peak   962 spectrum    1 weight  0.10000E+01 volume  0.37034E-03 ppm1      4.569 ppm2      1.271 CV     1
 ASSI {  963}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 33   and name HG2%)
      5.400     3.700     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.20684E-03 ppm1      2.757 ppm2      1.285 CV     1
 ASSI {  964}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      5.200     3.400     0.800 peak   964 spectrum    1 weight  0.10000E+01 volume  0.17764E-03 ppm1      2.758 ppm2     10.185 CV     1
 ASSI {  965}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      4.400     2.500     1.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.18464E-03 ppm1      2.405 ppm2      8.574 CV     1
 ASSI {  966}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   966 spectrum    1 weight  0.10000E+01 volume  0.17302E-02 ppm1      3.018 ppm2      7.678 CV     1
 ASSI {  967}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak   967 spectrum    1 weight  0.10000E+01 volume  0.13765E-02 ppm1      2.700 ppm2      7.680 CV     1
 ASSI {  968}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   968 spectrum    1 weight  0.10000E+01 volume  0.14274E-02 ppm1      4.361 ppm2      7.703 CV     1
 ASSI {  970}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.400     1.400 peak   970 spectrum    1 weight  0.10000E+01 volume  0.14134E-02 ppm1      2.699 ppm2      7.485 CV     1
 ASSI {  971}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.50270E-02 ppm1      4.361 ppm2      8.258 CV     1
 ASSI {  972}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      4.900     3.000     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.44766E-03 ppm1      4.361 ppm2      8.505 CV     1
 ASSI {  973}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.21769E-02 ppm1      3.019 ppm2     10.181 CV     1
 ASSI {  974}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.100     0.500     0.500 peak   974 spectrum    1 weight  0.10000E+01 volume  0.16976E-02 ppm1      2.700 ppm2     10.181 CV     1
 ASSI {  978}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak   978 spectrum    1 weight  0.10000E+01 volume  0.98175E-03 ppm1      2.700 ppm2      4.387 CV     1
 ASSI {  979}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.600     1.600     1.600 peak   979 spectrum    1 weight  0.10000E+01 volume  0.79977E-03 ppm1      2.700 ppm2      3.826 CV     1
 ASSI {  987}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.65448E-03 ppm1      2.698 ppm2      2.037 CV     1
 ASSI {  992}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      3.900     1.900     1.900 peak   992 spectrum    1 weight  0.10000E+01 volume  0.62428E-03 ppm1      4.360 ppm2      0.812 CV     1
 OR {  992}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  995}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.200     2.200     1.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.17877E-02 ppm1      2.700 ppm2      1.346 CV     1
 ASSI {  996}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.88779E-02 ppm1      4.412 ppm2      7.294 CV     1
 ASSI {  997}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak   997 spectrum    1 weight  0.10000E+01 volume  0.27598E-02 ppm1      3.074 ppm2      4.415 CV     1
 ASSI {  998}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.28315E-02 ppm1      2.412 ppm2      4.416 CV     1
 ASSI {  999}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      3.073 ppm2      7.297 CV     1
 ASSI { 1001}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      5.700     4.000     0.300 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.22121E-03 ppm1      3.077 ppm2      7.510 CV     1
 ASSI { 1002}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      5.200     3.300     0.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.25644E-03 ppm1      2.419 ppm2      7.506 CV     1
 ASSI { 1003}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.59143E-03 ppm1      3.079 ppm2      8.045 CV     1
 ASSI { 1004}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.900     3.000     1.100 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.38790E-03 ppm1      2.411 ppm2      8.046 CV     1
 ASSI { 1005}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.800     0.800 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.36802E-02 ppm1      4.411 ppm2      8.040 CV     1
 ASSI { 1006}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      4.900     3.000     1.100 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.75818E-03 ppm1      4.411 ppm2      7.489 CV     1
 ASSI { 1007}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
      4.100     2.100     1.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.77904E-03 ppm1      2.411 ppm2      0.817 CV     1
 ASSI { 1008}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
      2.900     2.900     3.100 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.52058E-03 ppm1      2.408 ppm2      1.034 CV     1
 ASSI { 1009}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
      4.600     2.700     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.63783E-03 ppm1      4.414 ppm2      0.924 CV     1
 OR { 1009}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1010}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      4.700     2.800     1.300 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.57238E-03 ppm1      4.414 ppm2      1.878 CV     1
 ASSI { 1017}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.100     0.500     0.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.30450E-02 ppm1      3.072 ppm2      8.968 CV     1
 ASSI { 1019}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     2.900     3.100 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.49358E-03 ppm1      2.748 ppm2      8.048 CV     1
 ASSI { 1020}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     2.700     3.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.86169E-03 ppm1      3.070 ppm2      8.048 CV     1
 ASSI { 1021}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      4.700     2.800     1.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.23672E-03 ppm1      4.621 ppm2      8.045 CV     1
 ASSI { 1022}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.200     1.300     1.300 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.22754E-02 ppm1      4.621 ppm2      3.072 CV     1
 ASSI { 1023}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.900     1.000     1.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.18763E-02 ppm1      4.621 ppm2      2.757 CV     1
 ASSI { 1024}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.28138E-02 ppm1      3.245 ppm2      4.470 CV     1
 ASSI { 1025}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.32549E-02 ppm1      2.516 ppm2      4.471 CV     1
 ASSI { 1026}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.14621E-02 ppm1      3.246 ppm2      7.815 CV     1
 ASSI { 1027}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.20169E-02 ppm1      2.516 ppm2      7.813 CV     1
 ASSI { 1028}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      5.600     3.900     0.400 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.19553E-03 ppm1      2.522 ppm2      8.077 CV     1
 ASSI { 1030}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.600     1.600 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      3.238 ppm2      8.112 CV     1
 ASSI { 1031}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      4.600     2.600     1.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.24538E-03 ppm1      2.519 ppm2      8.344 CV     1
 ASSI { 1032}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.100     0.500     0.500 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.11113E-01 ppm1      4.464 ppm2      7.818 CV     1
 ASSI { 1034}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.500     2.600     1.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.19062E-03 ppm1      2.518 ppm2      4.842 CV     1
 ASSI { 1035}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.42370E-02 ppm1      1.591 ppm2      8.221 CV     1
 ASSI { 1036}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.34661E-02 ppm1      1.059 ppm2      8.220 CV     1
 ASSI { 1037}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.500     1.500     1.500 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.83336E-03 ppm1      3.888 ppm2      8.079 CV     1
 ASSI { 1038}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 54   and name HE% )
      3.800     1.800     1.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.23684E-03 ppm1      1.591 ppm2      7.127 CV     1
 ASSI { 1039}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 54   and name HD% )
      3.200     1.300     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.43573E-03 ppm1      1.592 ppm2      7.454 CV     1
 ASSI { 1040}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      5.500     3.800     0.500 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.22971E-03 ppm1      1.580 ppm2      7.720 CV     1
 ASSI { 1042}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
      4.500     2.500     1.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.71589E-03 ppm1      1.060 ppm2      7.458 CV     1
 ASSI { 1043}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 54   and name HE% )
      4.900     3.000     1.100 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.33752E-03 ppm1      1.059 ppm2      7.117 CV     1
 ASSI { 1045}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.78379E-03 ppm1      1.592 ppm2      8.078 CV     1
 ASSI { 1046}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.900     3.000     1.100 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.24021E-03 ppm1      1.599 ppm2      8.812 CV     1
 ASSI { 1047}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      5.400     3.600     0.600 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.19091E-03 ppm1      1.049 ppm2      8.820 CV     1
 ASSI { 1048}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.48139E-02 ppm1      1.591 ppm2      3.902 CV     1
 ASSI { 1049}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.38493E-02 ppm1      1.059 ppm2      3.910 CV     1
 ASSI { 1052}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.42629E-02 ppm1      1.591 ppm2      0.854 CV     1
 ASSI { 1053}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.500     0.800     0.800 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.63434E-02 ppm1      1.056 ppm2      0.860 CV     1
 ASSI { 1054}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.500     0.800     0.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      1.059 ppm2      0.655 CV     1
 ASSI { 1060}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      6.000     6.000     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.34347E-04 ppm1      3.886 ppm2      7.142 CV     1
 ASSI { 1061}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.29300E-03 ppm1      3.883 ppm2      4.866 CV     1
 ASSI { 1063}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      5.400     3.700     0.600 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.21220E-03 ppm1      1.589 ppm2      4.103 CV     1
 ASSI { 1064}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      5.500     3.700     0.500 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.16410E-03 ppm1      1.062 ppm2      4.108 CV     1
 ASSI { 1065}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.400     1.400 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.23343E-02 ppm1      0.641 ppm2      3.896 CV     1
 ASSI { 1066}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.000     1.100     1.100 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.17538E-02 ppm1      0.837 ppm2      2.689 CV     1
 ASSI { 1067}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HN  ))
      5.300     3.500     0.700 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.38283E-03 ppm1      2.853 ppm2      8.218 CV     1
 ASSI { 1068}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.600     2.700     1.400 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.35081E-03 ppm1      2.679 ppm2      8.220 CV     1
 ASSI { 1069}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 54   and name HD% )
      3.200     3.200     2.800 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.29926E-03 ppm1      2.856 ppm2      7.450 CV     1
 ASSI { 1070}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 54   and name HD% )
      2.900     2.900     3.100 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.52498E-03 ppm1      2.684 ppm2      7.453 CV     1
 ASSI { 1071}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 54   and name HE% )
      2.700     2.700     3.300 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.85406E-03 ppm1      2.855 ppm2      7.139 CV     1
 ASSI { 1074}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 54   and name HE% )
      2.600     2.600     3.400 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.10742E-02 ppm1      2.680 ppm2      7.137 CV     1
 ASSI { 1080}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.800     1.200 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.35573E-03 ppm1      0.642 ppm2      8.083 CV     1
 ASSI { 1081}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 54   and name HE% )
      3.300     1.400     1.400 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.84155E-03 ppm1      0.639 ppm2      7.130 CV     1
 ASSI { 1084}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 54   and name HD% )
      3.800     1.900     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.78942E-03 ppm1      0.643 ppm2      7.453 CV     1
 ASSI { 1085}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.600     1.500 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.75398E-03 ppm1      0.640 ppm2      8.223 CV     1
 ASSI { 1086}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      5.200     3.400     0.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.13444E-03 ppm1      0.645 ppm2      4.244 CV     1
 ASSI { 1089}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 14   and name HG11))
      4.800     2.800     1.200 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.11545E-03 ppm1      2.693 ppm2      1.981 CV     1
 ASSI { 1090}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      2.400     0.700     0.700 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.26807E-02 ppm1      4.283 ppm2      6.846 CV     1
 ASSI { 1091}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.100     0.500     0.500 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.54671E-02 ppm1      2.327 ppm2      4.289 CV     1
 ASSI { 1092}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.26305E-02 ppm1      1.735 ppm2      4.292 CV     1
 ASSI { 1094}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      2.800     1.000     1.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.42338E-02 ppm1      4.281 ppm2      8.050 CV     1
 ASSI { 1096}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.13967E-02 ppm1      4.284 ppm2      9.222 CV     1
 ASSI { 1097}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.300     1.300 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.19835E-02 ppm1      2.327 ppm2      8.516 CV     1
 ASSI { 1099}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.10760E-02 ppm1      1.733 ppm2      9.222 CV     1
 ASSI { 1100}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.600     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.11879E-02 ppm1      2.327 ppm2      9.222 CV     1
 ASSI { 1101}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 16   and name HD22))
      5.700     4.100     0.300 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.30458E-03 ppm1      1.730 ppm2      8.037 CV     1
 ASSI { 1102}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      4.100     2.100     1.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.10732E-02 ppm1      2.328 ppm2      7.730 CV     1
 ASSI { 1103}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     5.200     0.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.29230E-03 ppm1      2.329 ppm2      7.482 CV     1
 ASSI { 1104}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      5.400     3.600     0.600 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.23615E-03 ppm1      1.736 ppm2      7.487 CV     1
 ASSI { 1105}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 16   and name HD21))
      5.400     3.600     0.600 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.24041E-03 ppm1      2.325 ppm2      6.842 CV     1
 ASSI { 1107}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      5.000     3.100     1.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.35269E-03 ppm1      4.284 ppm2      4.666 CV     1
 ASSI { 1111}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.20575E-02 ppm1      2.112 ppm2      4.297 CV     1
 ASSI { 1112}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.500     1.600     1.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.20164E-02 ppm1      1.923 ppm2      4.296 CV     1
 ASSI { 1113}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.700     1.300 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.46826E-03 ppm1      1.922 ppm2      7.729 CV     1
 ASSI { 1114}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      5.500     3.800     0.500 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.34309E-03 ppm1      2.113 ppm2      8.517 CV     1
 ASSI { 1115}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      5.400     3.600     0.600 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.42215E-03 ppm1      1.924 ppm2      8.515 CV     1
 ASSI { 1116}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      5.300     3.500     0.700 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.53063E-03 ppm1      1.921 ppm2      9.216 CV     1
 ASSI { 1117}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 25   and name HB2 ))
      4.400     2.400     1.600 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.91883E-03 ppm1      2.113 ppm2      2.580 CV     1
 ASSI { 1118}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 25   and name HB1 ))
      5.400     3.700     0.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      2.113 ppm2      2.671 CV     1
 ASSI { 1120}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 25   and name HB1 ))
      4.500     2.500     1.500 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.49500E-03 ppm1      1.923 ppm2      2.669 CV     1
 ASSI { 1124}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.200     1.200 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.33701E-02 ppm1      3.679 ppm2      4.303 CV     1
 ASSI { 1125}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.200     0.600     0.600 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.62250E-02 ppm1      4.026 ppm2      4.303 CV     1
 ASSI { 1126}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 23   and name HN  ))
      5.800     4.200     0.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.14966E-03 ppm1      4.028 ppm2      8.508 CV     1
 ASSI { 1127}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.22156E-03 ppm1      3.678 ppm2      7.736 CV     1
 ASSI { 1128}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      5.300     3.600     0.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.24226E-03 ppm1      4.025 ppm2      6.447 CV     1
 ASSI { 1129}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      5.400     3.600     0.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.18225E-03 ppm1      3.676 ppm2      6.444 CV     1
 ASSI { 1130}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.400     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.10422E-03 ppm1      3.681 ppm2      8.510 CV     1
 ASSI { 1131}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HG11))
      6.000     4.400     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.43421E-03 ppm1      4.025 ppm2      1.289 CV     1
 OR { 1131}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1132}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HG11))
      5.200     3.400     0.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.39356E-03 ppm1      3.677 ppm2      1.292 CV     1
 OR { 1132}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1133}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HB  ))
      5.300     3.400     0.700 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.53445E-03 ppm1      4.027 ppm2      1.583 CV     1
 ASSI { 1134}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HB  ))
      4.400     2.400     1.600 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.53801E-03 ppm1      3.680 ppm2      1.584 CV     1
 ASSI { 1135}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 21   and name HD1%)
      5.100     3.300     0.900 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.76074E-03 ppm1      4.028 ppm2      0.836 CV     1
 ASSI { 1136}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 21   and name HD1%)
      4.200     2.200     1.800 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.62221E-03 ppm1      3.681 ppm2      0.849 CV     1
 ASSI { 1137}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 21   and name HG2%)
      2.300     0.700     0.700 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.31926E-02 ppm1      3.679 ppm2      0.994 CV     1
 ASSI { 1139}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.900     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.34085E-03 ppm1      4.024 ppm2      2.695 CV     1
 ASSI { 1140}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.600     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.23193E-03 ppm1      4.025 ppm2      2.582 CV     1
 ASSI { 1141}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 25   and name HB1 ))
      4.700     2.700     1.300 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.63210E-03 ppm1      3.680 ppm2      2.675 CV     1
 ASSI { 1142}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 25   and name HB2 ))
      4.400     2.400     1.600 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.50641E-03 ppm1      3.679 ppm2      2.588 CV     1
 ASSI { 1143}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.13141E-03 ppm1      4.018 ppm2      7.737 CV     1
 ASSI { 1144}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.600     0.600 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.54890E-02 ppm1      2.369 ppm2      4.385 CV     1
 ASSI { 1145}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.21637E-02 ppm1      1.925 ppm2      4.387 CV     1
 ASSI { 1147}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.800     2.900     1.200 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.69341E-03 ppm1      1.962 ppm2      8.650 CV     1
 OR { 1147}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1152}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      4.100     2.100     1.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.11489E-02 ppm1      1.960 ppm2      4.390 CV     1
 OR { 1152}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1154}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.19522E-02 ppm1      2.369 ppm2      8.646 CV     1
 ASSI { 1155}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.100     1.200     1.200 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.17459E-02 ppm1      1.924 ppm2      8.648 CV     1
 ASSI { 1156}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.200     0.600     0.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.91252E-02 ppm1      4.379 ppm2      8.643 CV     1
 ASSI { 1157}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      5.200     3.400     0.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.61681E-03 ppm1      2.370 ppm2      7.472 CV     1
 ASSI { 1158}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.400     1.400     1.400 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.12737E-02 ppm1      1.923 ppm2      7.473 CV     1
 ASSI { 1160}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      5.300     3.500     0.700 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.29474E-03 ppm1      4.380 ppm2      7.459 CV     1
 ASSI { 1161}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      4.600     2.700     1.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.45833E-03 ppm1      1.941 ppm2      7.705 CV     1
 ASSI { 1162}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
      5.200     3.400     0.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.31992E-03 ppm1      2.374 ppm2      0.289 CV     1
 ASSI { 1163}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      4.900     3.000     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.37109E-03 ppm1      1.928 ppm2      0.287 CV     1
 ASSI { 1164}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 57   and name HE2 ))
      3.900     1.900     1.900 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.26927E-03 ppm1      2.372 ppm2      2.930 CV     1
 OR { 1164}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 57   and name HE1 ))
 ASSI { 1168}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      4.100     2.100     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.46334E-03 ppm1      4.373 ppm2      0.281 CV     1
 ASSI { 1170}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
      5.000     3.100     1.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.36304E-03 ppm1      1.961 ppm2      0.281 CV     1
 OR { 1170}
   (( segid "    " and resid 59   and name HG1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1172}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 62   and name HN  ))
      5.200     3.300     0.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.26573E-03 ppm1      3.788 ppm2      7.468 CV     1
 OR { 1172}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1174}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB1 ))
      3.000     1.100     1.100 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.26927E-02 ppm1      3.787 ppm2      2.378 CV     1
 OR { 1174}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 1177}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HG11))
      5.400     3.700     0.600 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.28248E-03 ppm1      3.786 ppm2      1.533 CV     1
 OR { 1177}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HG11))
 ASSI { 1181}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 75   and name HE% )
      4.500     2.500     1.500 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.51566E-03 ppm1      3.790 ppm2      6.547 CV     1
 OR { 1181}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 75   and name HE% )
 ASSI { 1182}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 75   and name HD% )
      6.000     5.200     0.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.10612E-03 ppm1      3.791 ppm2      6.805 CV     1
 OR { 1182}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 75   and name HD% )
 ASSI { 1183}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 60   and name HN  ))
      5.900     4.400     0.100 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.17817E-03 ppm1      3.793 ppm2      8.651 CV     1
 OR { 1183}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1184}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.700     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.67049E-04 ppm1      3.789 ppm2      7.714 CV     1
 OR { 1184}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1185}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.38254E-02 ppm1      4.180 ppm2      8.647 CV     1
 ASSI { 1187}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.56100E-02 ppm1      2.583 ppm2      8.648 CV     1
 OR { 1187}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1189}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.500     1.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.12805E-02 ppm1      4.184 ppm2      7.703 CV     1
 ASSI { 1190}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.64604E-03 ppm1      4.181 ppm2      7.476 CV     1
 ASSI { 1195}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      5.000     3.100     1.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.32053E-03 ppm1      4.182 ppm2      0.285 CV     1
 ASSI { 1197}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.35010E-02 ppm1      4.304 ppm2      8.652 CV     1
 ASSI { 1198}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.800     1.000     1.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.37849E-02 ppm1      2.624 ppm2      4.309 CV     1
 ASSI { 1200}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.300     1.400     1.400 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.10078E-02 ppm1      4.306 ppm2      1.392 CV     1
 OR { 1200}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 1201}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
      3.500     1.500     1.500 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      4.304 ppm2      1.665 CV     1
 OR { 1201}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 1202}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.700     2.800     1.300 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.59634E-03 ppm1      4.303 ppm2      1.974 CV     1
 OR { 1202}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 1202}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 1203}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.400     2.400     1.600 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.63534E-03 ppm1      4.309 ppm2      1.787 CV     1
 OR { 1203}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 1204}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.500     0.800     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.62114E-02 ppm1      4.304 ppm2      2.465 CV     1
 ASSI { 1205}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HE2 ))
      3.300     1.400     1.400 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.10734E-02 ppm1      4.303 ppm2      2.985 CV     1
 OR { 1205}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 1207}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 64   and name HE2 ))
      4.800     2.900     1.200 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.38619E-03 ppm1      2.463 ppm2      2.987 CV     1
 OR { 1207}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 1209}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.47518E-03 ppm1      4.299 ppm2      4.686 CV     1
 ASSI { 1211}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.14674E-02 ppm1      4.303 ppm2      7.473 CV     1
 ASSI { 1212}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      4.100     2.100     1.900 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.46357E-03 ppm1      4.308 ppm2      7.701 CV     1
 ASSI { 1213}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.100     1.200     1.200 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.11089E-02 ppm1      2.626 ppm2      7.472 CV     1
 ASSI { 1214}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.500     1.500 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.12028E-02 ppm1      2.461 ppm2      7.471 CV     1
 ASSI { 1216}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     0.700     0.700 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.55363E-02 ppm1      2.370 ppm2      7.472 CV     1
 OR { 1216}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1217}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.24411E-02 ppm1      2.370 ppm2      4.655 CV     1
 OR { 1217}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 1218}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      4.500     2.500     1.500 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.21735E-03 ppm1      4.650 ppm2      7.711 CV     1
 ASSI { 1219}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.28714E-02 ppm1      2.369 ppm2      7.702 CV     1
 OR { 1219}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1220}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 75   and name HE% )
      2.800     0.900     0.900 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.29546E-02 ppm1      2.370 ppm2      6.547 CV     1
 OR { 1220}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 75   and name HE% )
 ASSI { 1221}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.84446E-03 ppm1      2.369 ppm2      6.806 CV     1
 OR { 1221}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 75   and name HD% )
 ASSI { 1222}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      5.200     3.400     0.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.37962E-03 ppm1      2.367 ppm2      8.652 CV     1
 OR { 1222}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1223}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      5.000     3.100     1.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.17196E-03 ppm1      2.372 ppm2      7.260 CV     1
 OR { 1223}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1224}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      5.000     3.100     1.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.23960E-03 ppm1      2.365 ppm2      7.085 CV     1
 OR { 1224}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1225}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      4.300     2.300     1.700 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.27255E-03 ppm1      4.656 ppm2      7.284 CV     1
 ASSI { 1226}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.600     2.600     1.400 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.44705E-03 ppm1      2.367 ppm2      4.456 CV     1
 OR { 1226}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1229}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     1.700     1.700 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.71133E-03 ppm1      2.369 ppm2      3.193 CV     1
 OR { 1229}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1233}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     1.000     1.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.37180E-02 ppm1      2.371 ppm2      0.282 CV     1
 OR { 1233}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1234}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      3.300     1.400     1.400 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.33474E-02 ppm1      3.083 ppm2      8.387 CV     1
 ASSI { 1235}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.31641E-02 ppm1      4.468 ppm2      8.380 CV     1
 ASSI { 1237}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.900     0.900 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.19360E-02 ppm1      2.871 ppm2      8.367 CV     1
 ASSI { 1238}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.15455E-02 ppm1      2.872 ppm2      8.191 CV     1
 ASSI { 1239}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.100     1.100 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.14016E-02 ppm1      2.872 ppm2      8.565 CV     1
 ASSI { 1240}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.800     1.800     1.800 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.74787E-03 ppm1      4.476 ppm2      8.025 CV     1
 ASSI { 1241}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.91708E-03 ppm1      4.475 ppm2      8.195 CV     1
 ASSI { 1243}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.33041E-02 ppm1      2.201 ppm2      8.256 CV     1
 ASSI { 1244}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      5.200     3.400     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.33503E-03 ppm1      2.515 ppm2      8.507 CV     1
 ASSI { 1245}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      5.200     3.300     0.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.28563E-03 ppm1      2.199 ppm2      8.514 CV     1
 ASSI { 1249}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.600     0.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.16756E-03 ppm1      2.201 ppm2      7.842 CV     1
 ASSI { 1250}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.97694E-03 ppm1      2.202 ppm2      7.697 CV     1
 ASSI { 1251}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      5.400     3.700     0.600 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.22462E-03 ppm1      2.518 ppm2      7.847 CV     1
 ASSI { 1252}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.600     1.600     1.600 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.96798E-03 ppm1      4.364 ppm2      7.843 CV     1
 ASSI { 1253}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HD2 ))
      5.200     3.400     0.800 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.29294E-03 ppm1      2.202 ppm2      7.016 CV     1
 ASSI { 1254}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HD2 ))
      3.900     1.900     1.900 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.34806E-03 ppm1      2.508 ppm2      7.016 CV     1
 ASSI { 1258}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.34089E-02 ppm1      2.200 ppm2      4.367 CV     1
 ASSI { 1261}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 75   and name HB1 ))
      4.300     2.300     1.700 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.23463E-03 ppm1      2.512 ppm2      3.100 CV     1
 OR { 1261}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1262}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.51337E-03 ppm1      1.376 ppm2      8.311 CV     1
 ASSI { 1263}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 32   and name HD% )
      2.900     1.100     1.100 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      1.376 ppm2      7.162 CV     1
 ASSI { 1264}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      4.400     2.400     1.600 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.87097E-03 ppm1      1.375 ppm2      6.972 CV     1
 ASSI { 1265}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 32   and name HZ  ))
      4.600     2.600     1.400 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.38975E-03 ppm1      1.374 ppm2      6.854 CV     1
 ASSI { 1266}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 41   and name HN  ))
      2.900     2.900     3.100 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.57726E-03 ppm1      1.374 ppm2      8.052 CV     1
 ASSI { 1268}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 33   and name HN  ))
      4.900     3.000     1.100 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.10402E-03 ppm1      1.379 ppm2      8.569 CV     1
 ASSI { 1270}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HA  ))
      2.400     0.700     0.700 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.25488E-02 ppm1      1.375 ppm2      4.108 CV     1
 ASSI { 1272}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
      5.000     3.100     1.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.15253E-03 ppm1      1.373 ppm2      3.577 CV     1
 ASSI { 1273}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H37A))
      3.400     3.400     2.600 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.22523E-03 ppm1      1.373 ppm2      3.402 CV     1
 ASSI { 1274}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 32   and name HB1 ))
      2.400     0.700     0.700 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      1.375 ppm2      3.243 CV     1
 ASSI { 1275}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HG1 ))
      2.600     0.800     0.800 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.52242E-02 ppm1      1.375 ppm2      2.367 CV     1
 OR { 1275}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1276}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H2B ))
      3.300     1.400     1.400 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.20471E-02 ppm1      1.375 ppm2      2.571 CV     1
 OR { 1276}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H2A ))
 ASSI { 1278}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HB1 ))
      3.500     1.500     1.500 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.31176E-02 ppm1      1.375 ppm2      2.074 CV     1
 ASSI { 1279}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.16958E-02 ppm1      3.576 ppm2      7.701 CV     1
 ASSI { 1280}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.25019E-02 ppm1      2.491 ppm2      7.700 CV     1
 ASSI { 1281}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      4.100     2.100     1.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.58017E-03 ppm1      3.577 ppm2      7.847 CV     1
 ASSI { 1282}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.200     0.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.23661E-03 ppm1      3.580 ppm2      8.239 CV     1
 ASSI { 1283}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      5.600     4.000     0.400 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.14563E-03 ppm1      3.584 ppm2      8.514 CV     1
 ASSI { 1284}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      5.400     3.600     0.600 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.21123E-03 ppm1      2.499 ppm2      8.247 CV     1
 ASSI { 1285}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.67880E-03 ppm1      2.488 ppm2      7.849 CV     1
 ASSI { 1286}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 75   and name HE% )
      3.900     1.900     1.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.34351E-03 ppm1      3.573 ppm2      6.540 CV     1
 ASSI { 1287}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 75   and name HD% )
      5.100     3.300     0.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.18039E-03 ppm1      3.576 ppm2      6.807 CV     1
 ASSI { 1288}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD2 ))
      4.000     2.000     2.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.11697E-02 ppm1      3.576 ppm2      7.009 CV     1
 ASSI { 1289}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.80601E-03 ppm1      4.607 ppm2      7.699 CV     1
 ASSI { 1290}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      4.200     2.200     1.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.36113E-03 ppm1      4.605 ppm2      7.010 CV     1
 ASSI { 1291}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      5.500     3.800     0.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.18178E-03 ppm1      4.615 ppm2      6.548 CV     1
 ASSI { 1292}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.800     1.800     1.800 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.49865E-03 ppm1      4.608 ppm2      7.841 CV     1
 ASSI { 1293}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      5.300     3.500     0.700 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.15711E-03 ppm1      2.500 ppm2      8.523 CV     1
 ASSI { 1294}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HE% )
      3.700     1.700     1.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.44213E-03 ppm1      2.495 ppm2      6.543 CV     1
 ASSI { 1295}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD% )
      3.700     1.700     1.700 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.30886E-03 ppm1      2.489 ppm2      6.800 CV     1
 ASSI { 1296}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD2 ))
      3.300     1.400     1.400 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.78185E-03 ppm1      2.493 ppm2      7.009 CV     1
 ASSI { 1297}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.14285E-02 ppm1      3.574 ppm2      4.620 CV     1
 ASSI { 1300}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.600     1.600 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.96872E-03 ppm1      2.492 ppm2      4.619 CV     1
 ASSI { 1301}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
      2.800     1.000     1.000 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.21745E-02 ppm1      3.576 ppm2      0.941 CV     1
 OR { 1301}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1302}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
      3.200     1.300     1.300 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.21572E-02 ppm1      2.492 ppm2      0.942 CV     1
 OR { 1302}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1304}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.39330E-02 ppm1      3.795 ppm2      8.188 CV     1
 ASSI { 1305}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      5.200     3.400     0.800 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.27717E-03 ppm1      3.795 ppm2      7.937 CV     1
 ASSI { 1306}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.59890E-02 ppm1      2.075 ppm2      8.186 CV     1
 ASSI { 1307}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      5.000     3.100     1.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.34554E-03 ppm1      2.075 ppm2      7.948 CV     1
 ASSI { 1308}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.30656E-02 ppm1      2.074 ppm2      8.782 CV     1
 ASSI { 1310}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.11036E-02 ppm1      3.795 ppm2      8.785 CV     1
 ASSI { 1311}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.600     2.600     1.400 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.29527E-03 ppm1      3.799 ppm2      8.666 CV     1
 ASSI { 1312}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.400     1.400 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.14237E-02 ppm1      3.795 ppm2      8.401 CV     1
 ASSI { 1316}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.31862E-02 ppm1      2.074 ppm2      4.240 CV     1
 ASSI { 1317}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 53   and name HD1 ))
      5.200     3.400     0.800 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.18424E-03 ppm1      3.794 ppm2      2.870 CV     1
 ASSI { 1319}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.300     2.300     1.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.26894E-03 ppm1      3.796 ppm2      2.590 CV     1
 ASSI { 1320}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      4.900     3.000     1.100 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.56873E-03 ppm1      3.796 ppm2      2.423 CV     1
 ASSI { 1323}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
      2.500     0.800     0.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.41966E-02 ppm1      3.795 ppm2      1.971 CV     1
 ASSI { 1326}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      5.100     3.200     0.900 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.26698E-03 ppm1      3.796 ppm2      1.191 CV     1
 ASSI { 1329}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      2.200     0.600     0.600 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.63870E-02 ppm1      2.075 ppm2      1.046 CV     1
 OR { 1329}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 1334}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.43262E-02 ppm1      1.966 ppm2      8.187 CV     1
 ASSI { 1335}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.700     1.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.24182E-02 ppm1      1.030 ppm2      8.187 CV     1
 ASSI { 1336}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 15   and name HN  ))
      5.400     3.600     0.600 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.38988E-03 ppm1      1.037 ppm2      8.794 CV     1
 ASSI { 1337}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.200     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.22676E-03 ppm1      1.029 ppm2      7.929 CV     1
 ASSI { 1338}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 54   and name HE% )
      5.100     3.200     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.19382E-03 ppm1      1.965 ppm2      7.157 CV     1
 ASSI { 1341}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.35479E-02 ppm1      1.031 ppm2      3.800 CV     1
 ASSI { 1344}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 53   and name HD1 ))
      3.700     1.700     1.700 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.47864E-03 ppm1      1.969 ppm2      2.858 CV     1
 ASSI { 1345}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 53   and name HD1 ))
      4.200     2.200     1.800 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.36737E-03 ppm1      1.029 ppm2      2.855 CV     1
 ASSI { 1346}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 46   and name HA  ))
      5.600     3.900     0.400 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.23527E-03 ppm1      1.037 ppm2      3.414 CV     1
 ASSI { 1354}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.23439E-02 ppm1      0.712 ppm2      8.191 CV     1
 ASSI { 1355}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      2.900     2.900     3.100 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.50150E-03 ppm1      0.712 ppm2      7.927 CV     1
 ASSI { 1356}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      5.700     4.100     0.300 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.22590E-03 ppm1      1.042 ppm2      8.046 CV     1
 ASSI { 1357}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      4.900     3.000     1.100 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.68860E-03 ppm1      1.044 ppm2      7.925 CV     1
 ASSI { 1359}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.20986E-02 ppm1      1.043 ppm2      8.794 CV     1
 ASSI { 1361}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.39702E-03 ppm1      0.710 ppm2      9.228 CV     1
 ASSI { 1362}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      2.900     1.000     1.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.13286E-02 ppm1      0.712 ppm2      7.117 CV     1
 ASSI { 1363}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      3.900     1.900     1.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.80145E-03 ppm1      0.712 ppm2      7.454 CV     1
 ASSI { 1364}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      2.000     2.000     4.000 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.51621E-02 ppm1      0.712 ppm2      3.930 CV     1
 ASSI { 1365}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      4.200     2.200     1.800 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.12255E-02 ppm1      0.712 ppm2      3.798 CV     1
 ASSI { 1366}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.36178E-02 ppm1      0.712 ppm2      4.238 CV     1
 ASSI { 1369}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.36844E-02 ppm1      1.043 ppm2      3.801 CV     1
 ASSI { 1370}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.70493E-03 ppm1      1.045 ppm2      3.932 CV     1
 ASSI { 1371}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.200     0.600     0.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.54460E-02 ppm1      1.043 ppm2      3.414 CV     1
 ASSI { 1373}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HD1 ))
      3.400     1.400     1.400 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.15334E-02 ppm1      0.713 ppm2      2.863 CV     1
 ASSI { 1376}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB  ))
      2.300     0.700     0.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.49413E-02 ppm1      0.713 ppm2      2.083 CV     1
 ASSI { 1377}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG11))
      2.200     0.600     0.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.71366E-02 ppm1      0.712 ppm2      1.973 CV     1
 ASSI { 1380}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      2.300     0.700     0.700 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.81096E-02 ppm1      1.044 ppm2      1.509 CV     1
 ASSI { 1383}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      2.200     0.600     0.600 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.56727E-02 ppm1      1.043 ppm2      2.083 CV     1
 ASSI { 1384}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
      3.500     1.500     1.500 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.20783E-02 ppm1      1.044 ppm2      1.974 CV     1
 ASSI { 1386}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.20203E-02 ppm1      0.711 ppm2      1.614 CV     1
 ASSI { 1387}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.32608E-02 ppm1      3.576 ppm2      8.783 CV     1
 ASSI { 1388}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.600     0.600 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.37465E-02 ppm1      2.226 ppm2      8.783 CV     1
 ASSI { 1389}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      3.575 ppm2      8.202 CV     1
 ASSI { 1390}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.14928E-02 ppm1      3.575 ppm2      8.461 CV     1
 ASSI { 1391}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.76908E-03 ppm1      3.574 ppm2      8.672 CV     1
 ASSI { 1392}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.11262E-02 ppm1      2.225 ppm2      8.675 CV     1
 ASSI { 1393}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.27334E-02 ppm1      2.226 ppm2      4.039 CV     1
 ASSI { 1394}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.19539E-02 ppm1      3.570 ppm2      4.059 CV     1
 ASSI { 1395}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      4.600     2.600     1.400 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.32308E-03 ppm1      3.565 ppm2      4.670 CV     1
 ASSI { 1398}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.200     0.600     0.600 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.83165E-02 ppm1      3.573 ppm2      1.159 CV     1
 ASSI { 1402}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.700     0.700 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.71366E-02 ppm1      2.230 ppm2      3.572 CV     1
 ASSI { 1403}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.76265E-02 ppm1      1.159 ppm2      8.783 CV     1
 ASSI { 1404}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.23508E-02 ppm1      0.980 ppm2      8.786 CV     1
 ASSI { 1406}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.900     1.200 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.27020E-03 ppm1      1.163 ppm2      9.227 CV     1
 ASSI { 1407}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.500     1.500 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.35447E-03 ppm1      1.162 ppm2      8.912 CV     1
 ASSI { 1412}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.10767E-02 ppm1      0.982 ppm2      8.678 CV     1
 ASSI { 1413}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.900     0.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.12965E-03 ppm1      0.981 ppm2      8.914 CV     1
 ASSI { 1414}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.10467E-02 ppm1      1.159 ppm2      8.191 CV     1
 ASSI { 1416}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      5.000     3.200     1.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.24152E-03 ppm1      1.156 ppm2      7.933 CV     1
 ASSI { 1417}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      4.600     2.600     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.10292E-02 ppm1      0.975 ppm2      8.190 CV     1
 ASSI { 1418}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      2.300     0.700     0.700 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.40827E-02 ppm1      1.160 ppm2      6.972 CV     1
 ASSI { 1419}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
      4.300     2.300     1.700 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.59366E-03 ppm1      1.159 ppm2      6.850 CV     1
 ASSI { 1420}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      3.000     1.200     1.200 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.15483E-02 ppm1      1.160 ppm2      7.162 CV     1
 ASSI { 1424}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      0.982 ppm2      6.449 CV     1
 ASSI { 1425}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.000     0.000 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.12052E-03 ppm1      1.162 ppm2      6.453 CV     1
 ASSI { 1428}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.800     1.800     1.800 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.44637E-03 ppm1      0.983 ppm2      4.656 CV     1
 ASSI { 1429}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.400     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.20288E-03 ppm1      1.159 ppm2      4.659 CV     1
 ASSI { 1431}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.600     0.600 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.77112E-02 ppm1      0.979 ppm2      3.581 CV     1
 ASSI { 1434}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      3.200     1.300     1.300 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.13427E-02 ppm1      1.158 ppm2      2.082 CV     1
 ASSI { 1435}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      4.600     2.600     1.400 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.53878E-03 ppm1      1.159 ppm2      1.971 CV     1
 ASSI { 1437}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HG11))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.50648E-02 ppm1      0.981 ppm2      1.297 CV     1
 OR { 1437}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1439}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.42334E-02 ppm1      3.913 ppm2      8.204 CV     1
 ASSI { 1441}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      2.300     0.600     0.600 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.28168E-02 ppm1      1.602 ppm2      8.463 CV     1
 ASSI { 1443}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.17693E-03 ppm1      1.586 ppm2      6.972 CV     1
 ASSI { 1444}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.700     0.700 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.45823E-02 ppm1      1.587 ppm2      6.449 CV     1
 ASSI { 1445}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.20075E-02 ppm1      1.602 ppm2      3.918 CV     1
 ASSI { 1446}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      4.900     2.900     1.100 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.20957E-03 ppm1      3.912 ppm2      4.825 CV     1
 ASSI { 1448}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      1.602 ppm2      3.583 CV     1
 ASSI { 1449}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      4.100     2.100     1.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.41154E-03 ppm1      3.912 ppm2      2.432 CV     1
 ASSI { 1450}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.700     1.700     1.700 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.13115E-02 ppm1      3.912 ppm2      2.258 CV     1
 OR { 1450}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1451}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.700     2.800     1.300 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.78800E-03 ppm1      3.912 ppm2      2.120 CV     1
 ASSI { 1453}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.000     2.000     2.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.91498E-03 ppm1      1.597 ppm2      2.251 CV     1
 OR { 1453}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1454}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      2.400     0.700     0.700 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.57901E-02 ppm1      3.912 ppm2      1.292 CV     1
 ASSI { 1456}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      3.800     1.800     1.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      3.912 ppm2      0.763 CV     1
 ASSI { 1459}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.35188E-02 ppm1      1.632 ppm2      3.919 CV     1
 ASSI { 1461}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      5.000     3.100     1.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.23670E-03 ppm1      0.755 ppm2      3.792 CV     1
 ASSI { 1463}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 15   and name HA  ))
      4.700     2.800     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.28221E-03 ppm1      1.631 ppm2      3.579 CV     1
 ASSI { 1464}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 46   and name HA  ))
      5.200     3.400     0.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.33581E-03 ppm1      1.634 ppm2      3.402 CV     1
 ASSI { 1465}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 46   and name HA  ))
      5.600     4.000     0.400 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.31947E-03 ppm1      1.283 ppm2      3.410 CV     1
 ASSI { 1466}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.800     0.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.16664E-03 ppm1      1.284 ppm2      3.580 CV     1
 ASSI { 1467}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.33002E-02 ppm1      0.757 ppm2      3.413 CV     1
 ASSI { 1468}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      4.200     2.200     1.800 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.53445E-03 ppm1      0.754 ppm2      3.586 CV     1
 ASSI { 1470}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      5.400     3.600     0.600 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.23450E-03 ppm1      0.759 ppm2      6.986 CV     1
 ASSI { 1472}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.65387E-03 ppm1      0.759 ppm2      8.047 CV     1
 ASSI { 1474}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.35903E-02 ppm1      1.632 ppm2      8.205 CV     1
 ASSI { 1475}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.24369E-02 ppm1      1.282 ppm2      8.205 CV     1
 ASSI { 1477}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 19   and name HN  ))
      5.200     3.400     0.800 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.49122E-03 ppm1      1.284 ppm2      8.446 CV     1
 ASSI { 1479}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HN  ))
      6.000     5.600     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.10923E-03 ppm1      1.283 ppm2      6.989 CV     1
 ASSI { 1480}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      3.400     3.400     2.600 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.21654E-03 ppm1      0.761 ppm2      8.796 CV     1
 ASSI { 1486}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG1 ))
      4.600     2.600     1.400 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.62852E-03 ppm1      0.756 ppm2      2.441 CV     1
 ASSI { 1492}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 14   and name HG2%)
      2.200     0.600     0.600 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.56407E-02 ppm1      0.757 ppm2      1.049 CV     1
 ASSI { 1493}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.60928E-02 ppm1      0.928 ppm2      3.924 CV     1
 ASSI { 1495}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      5.500     3.800     0.500 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.23440E-03 ppm1      0.926 ppm2      3.410 CV     1
 ASSI { 1496}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.23585E-02 ppm1      0.928 ppm2      4.275 CV     1
 ASSI { 1497}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      4.300     2.300     1.700 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.26460E-03 ppm1      0.929 ppm2      4.828 CV     1
 ASSI { 1498}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.600     1.500 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.55579E-03 ppm1      0.928 ppm2      6.991 CV     1
 ASSI { 1503}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HG1 ))
      3.700     1.700     1.700 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.11317E-02 ppm1      0.926 ppm2      2.447 CV     1
 ASSI { 1504}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
      3.200     1.300     1.300 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.40278E-02 ppm1      0.928 ppm2      2.292 CV     1
 OR { 1504}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1505}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
      2.300     0.600     0.600 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      0.928 ppm2      2.144 CV     1
 ASSI { 1508}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.100     0.500     0.500 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.76374E-02 ppm1      1.520 ppm2      8.466 CV     1
 ASSI { 1509}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      1.520 ppm2      7.824 CV     1
 ASSI { 1511}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      4.200     2.200     1.800 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.84598E-03 ppm1      1.521 ppm2      8.214 CV     1
 ASSI { 1512}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      5.200     3.400     0.800 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.35143E-03 ppm1      1.517 ppm2      8.684 CV     1
 ASSI { 1514}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.23084E-02 ppm1      1.521 ppm2      6.449 CV     1
 ASSI { 1515}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.51094E-02 ppm1      1.521 ppm2      4.813 CV     1
 ASSI { 1519}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.42179E-02 ppm1      4.044 ppm2      7.824 CV     1
 ASSI { 1520}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.10535E-02 ppm1      3.927 ppm2      6.448 CV     1
 ASSI { 1522}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 16   and name HD22))
      4.800     2.900     1.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.50215E-03 ppm1      4.038 ppm2      8.061 CV     1
 ASSI { 1523}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      4.700     2.800     1.300 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.65697E-03 ppm1      4.046 ppm2      8.476 CV     1
 ASSI { 1524}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      4.900     3.000     1.100 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.51146E-03 ppm1      3.927 ppm2      8.466 CV     1
 ASSI { 1525}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 16   and name HD22))
      4.200     2.200     1.800 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.38127E-03 ppm1      3.937 ppm2      8.056 CV     1
 ASSI { 1526}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 16   and name HD21))
      5.000     3.100     1.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.41342E-03 ppm1      4.049 ppm2      6.846 CV     1
 ASSI { 1527}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 16   and name HD21))
      4.400     2.400     1.600 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.27619E-03 ppm1      3.933 ppm2      6.851 CV     1
 ASSI { 1528}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 16   and name HA  ))
      5.100     3.300     0.900 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.45616E-03 ppm1      4.040 ppm2      4.647 CV     1
 ASSI { 1529}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 16   and name HA  ))
      4.200     2.200     1.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.18896E-03 ppm1      3.922 ppm2      4.639 CV     1
 ASSI { 1530}
   (( segid "    " and resid 20   and name HA1 ))
   (  segid "    " and resid 19   and name HB% )
      4.500     2.600     1.500 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.49649E-03 ppm1      4.044 ppm2      1.536 CV     1
 ASSI { 1532}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      2.200     0.600     0.600 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.78699E-02 ppm1      1.107 ppm2      7.332 CV     1
 ASSI { 1533}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.16074E-02 ppm1      0.951 ppm2      6.986 CV     1
 ASSI { 1534}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.16170E-02 ppm1      1.106 ppm2      6.988 CV     1
 ASSI { 1535}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      4.700     2.700     1.300 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.77419E-03 ppm1      1.103 ppm2      8.050 CV     1
 ASSI { 1537}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      2.400     0.700     0.700 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.83479E-02 ppm1      1.107 ppm2      3.577 CV     1
 ASSI { 1538}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      2.300     0.700     0.700 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.63705E-02 ppm1      0.889 ppm2      7.943 CV     1
 ASSI { 1539}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.16505E-02 ppm1      0.888 ppm2      3.570 CV     1
 ASSI { 1540}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name H28A))
      3.900     1.900     1.900 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.10682E-02 ppm1      0.885 ppm2      3.728 CV     1
 ASSI { 1542}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.300     1.300 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.66376E-02 ppm1      0.886 ppm2      4.278 CV     1
 ASSI { 1543}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      4.700     2.800     1.300 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.30114E-03 ppm1      0.887 ppm2      6.980 CV     1
 ASSI { 1545}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.600     2.700     1.400 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.64921E-03 ppm1      0.886 ppm2      7.787 CV     1
 ASSI { 1546}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
      2.100     0.600     0.600 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.84287E-02 ppm1      0.888 ppm2      2.218 CV     1
 ASSI { 1547}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      3.800     1.800     1.800 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.19816E-02 ppm1      0.844 ppm2      7.941 CV     1
 ASSI { 1548}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.900     0.900 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.33587E-02 ppm1      3.267 ppm2      7.941 CV     1
 ASSI { 1550}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.600     1.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      3.270 ppm2      7.791 CV     1
 ASSI { 1551}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.700     0.700 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.62331E-02 ppm1      0.844 ppm2      3.272 CV     1
 ASSI { 1552}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HG1 ))
      2.700     0.900     0.900 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.21484E-02 ppm1      0.847 ppm2      2.814 CV     1
 ASSI { 1555}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 57   and name HA  ))
      5.500     3.800     0.500 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.18515E-03 ppm1      0.841 ppm2      4.676 CV     1
 ASSI { 1557}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.400     1.400 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      0.847 ppm2      7.791 CV     1
 ASSI { 1563}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.26048E-02 ppm1      4.298 ppm2      6.450 CV     1
 ASSI { 1564}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.14289E-02 ppm1      1.586 ppm2      4.300 CV     1
 ASSI { 1565}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      5.000     3.200     1.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.42050E-03 ppm1      4.296 ppm2      8.509 CV     1
 ASSI { 1566}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.23067E-03 ppm1      1.586 ppm2      4.800 CV     1
 ASSI { 1569}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      1.800     0.400     0.400 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.65383E-02 ppm1      4.298 ppm2      3.684 CV     1
 ASSI { 1571}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.700     2.700     1.300 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.13391E-02 ppm1      4.296 ppm2      2.115 CV     1
 ASSI { 1572}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HG1 ))
      5.000     3.100     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      1.592 ppm2      2.105 CV     1
 ASSI { 1573}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      4.000     2.000     2.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.16003E-02 ppm1      4.296 ppm2      1.925 CV     1
 ASSI { 1574}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.600     2.600     1.400 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.91792E-03 ppm1      4.298 ppm2      1.742 CV     1
 ASSI { 1575}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      2.800     1.000     1.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.37581E-02 ppm1      4.297 ppm2      1.291 CV     1
 OR { 1575}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 1576}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      2.300     0.700     0.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.46878E-02 ppm1      4.298 ppm2      0.825 CV     1
 ASSI { 1579}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 16   and name HA  ))
      5.300     3.600     0.700 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.37022E-03 ppm1      1.286 ppm2      4.658 CV     1
 OR { 1579}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1580}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 19   and name HN  ))
      5.700     4.100     0.300 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.16805E-03 ppm1      1.282 ppm2      8.457 CV     1
 OR { 1580}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1581}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 20   and name HN  ))
      4.500     2.500     1.500 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.35880E-03 ppm1      1.289 ppm2      7.820 CV     1
 OR { 1581}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1589}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      5.500     3.800     0.500 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.22380E-03 ppm1      0.987 ppm2      4.643 CV     1
 ASSI { 1591}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      5.100     3.300     0.900 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.23590E-03 ppm1      0.992 ppm2      3.534 CV     1
 ASSI { 1592}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HD1 ))
      4.000     2.000     2.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.21823E-02 ppm1      0.991 ppm2      4.030 CV     1
 ASSI { 1596}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.100     1.100 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.23562E-02 ppm1      0.991 ppm2      2.587 CV     1
 ASSI { 1598}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HG1 ))
      4.800     2.900     1.200 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.77364E-03 ppm1      0.991 ppm2      2.124 CV     1
 ASSI { 1599}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HG2 ))
      3.300     1.400     1.400 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.90887E-03 ppm1      0.991 ppm2      1.942 CV     1
 ASSI { 1600}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      3.600     1.600     1.600 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.10309E-02 ppm1      0.991 ppm2      1.747 CV     1
 ASSI { 1602}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.43030E-02 ppm1      3.592 ppm2      8.516 CV     1
 ASSI { 1603}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.27508E-02 ppm1      2.016 ppm2      9.222 CV     1
 ASSI { 1604}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.14340E-02 ppm1      3.592 ppm2      9.222 CV     1
 ASSI { 1605}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.71453E-03 ppm1      3.589 ppm2      7.733 CV     1
 ASSI { 1606}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.43388E-02 ppm1      0.981 ppm2      9.222 CV     1
 ASSI { 1608}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.81286E-03 ppm1      0.982 ppm2      8.670 CV     1
 OR { 1608}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1610}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.95110E-03 ppm1      3.591 ppm2      7.479 CV     1
 ASSI { 1611}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HD21))
      4.300     2.300     1.700 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.63566E-03 ppm1      0.982 ppm2      6.846 CV     1
 ASSI { 1612}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.27110E-03 ppm1      0.982 ppm2      4.657 CV     1
 ASSI { 1613}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      3.595 ppm2      4.288 CV     1
 ASSI { 1615}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      3.900     1.900     1.900 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.21226E-02 ppm1      0.979 ppm2      4.274 CV     1
 ASSI { 1616}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.22378E-02 ppm1      0.946 ppm2      9.222 CV     1
 OR { 1616}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1617}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.58250E-02 ppm1      0.945 ppm2      8.516 CV     1
 ASSI { 1620}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     5.000     0.000 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.20192E-03 ppm1      2.015 ppm2      3.084 CV     1
 ASSI { 1622}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.800     0.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.34008E-02 ppm1      0.946 ppm2      2.734 CV     1
 OR { 1622}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 1627}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      2.600     0.800     0.800 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.40517E-02 ppm1      0.978 ppm2      1.670 CV     1
 OR { 1627}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
 ASSI { 1629}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.79786E-02 ppm1      0.903 ppm2      7.481 CV     1
 ASSI { 1630}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     0.600     0.600 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.56229E-02 ppm1      2.319 ppm2      7.480 CV     1
 ASSI { 1631}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.28233E-02 ppm1      3.520 ppm2      7.482 CV     1
 ASSI { 1632}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.500     2.500     1.500 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.31905E-03 ppm1      3.520 ppm2      7.727 CV     1
 ASSI { 1634}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.23138E-02 ppm1      0.717 ppm2      7.482 CV     1
 ASSI { 1635}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
      5.400     3.600     0.600 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.22929E-03 ppm1      0.715 ppm2      7.720 CV     1
 ASSI { 1636}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.24964E-03 ppm1      0.715 ppm2      7.939 CV     1
 ASSI { 1639}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      4.200     2.200     1.800 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.56523E-03 ppm1      0.717 ppm2      6.970 CV     1
 ASSI { 1642}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      5.700     4.100     0.300 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.19852E-03 ppm1      3.520 ppm2      6.926 CV     1
 ASSI { 1644}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 27   and name HN  ))
      4.400     2.500     1.600 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.38312E-03 ppm1      2.317 ppm2      6.354 CV     1
 ASSI { 1645}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      4.100     2.100     1.900 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.11584E-02 ppm1      0.903 ppm2      6.352 CV     1
 ASSI { 1646}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.23794E-02 ppm1      0.717 ppm2      6.352 CV     1
 ASSI { 1647}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.45494E-03 ppm1      0.718 ppm2      4.620 CV     1
 ASSI { 1648}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      4.300     2.300     1.700 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.51954E-03 ppm1      3.516 ppm2      4.615 CV     1
 ASSI { 1650}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.700     1.700     1.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.14197E-02 ppm1      3.517 ppm2      1.325 CV     1
 OR { 1650}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 1654}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.400     2.400     1.600 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.76355E-03 ppm1      3.515 ppm2      1.520 CV     1
 ASSI { 1655}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      5.000     3.200     1.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.67317E-03 ppm1      3.515 ppm2      2.037 CV     1
 ASSI { 1656}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.16342E-02 ppm1      0.718 ppm2      8.898 CV     1
 ASSI { 1657}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      5.200     3.400     0.800 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.26060E-03 ppm1      0.719 ppm2      8.776 CV     1
 ASSI { 1658}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      4.600     2.700     1.400 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.31289E-03 ppm1      0.721 ppm2      9.226 CV     1
 ASSI { 1664}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      2.400     0.700     0.700 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.76869E-02 ppm1      0.717 ppm2      1.671 CV     1
 ASSI { 1670}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      2.700     0.900     0.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.43786E-02 ppm1      0.717 ppm2      1.169 CV     1
 ASSI { 1671}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 69   and name HG1%)
      2.200     0.600     0.600 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.68184E-02 ppm1      0.718 ppm2      0.420 CV     1
 ASSI { 1672}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      3.000     1.100     1.100 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      3.520 ppm2      0.420 CV     1
 ASSI { 1674}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
      5.600     4.000     0.400 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.20900E-03 ppm1      2.321 ppm2      0.412 CV     1
 ASSI { 1675}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.25579E-02 ppm1      3.559 ppm2      8.441 CV     1
 ASSI { 1676}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.68206E-03 ppm1      3.560 ppm2      7.503 CV     1
 ASSI { 1677}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      5.300     3.500     0.700 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.54949E-03 ppm1      3.558 ppm2      8.135 CV     1
 ASSI { 1678}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.27521E-02 ppm1      3.559 ppm2      9.404 CV     1
 ASSI { 1681}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      5.000     3.100     1.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.55909E-03 ppm1      1.443 ppm2      9.409 CV     1
 ASSI { 1682}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.800     2.900     1.200 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.30947E-03 ppm1      1.705 ppm2      9.406 CV     1
 ASSI { 1683}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.20752E-02 ppm1      1.444 ppm2      8.434 CV     1
 ASSI { 1684}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.29080E-02 ppm1      1.705 ppm2      8.437 CV     1
 ASSI { 1685}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      5.600     4.000     0.400 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.27525E-03 ppm1      1.436 ppm2      7.503 CV     1
 ASSI { 1686}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      5.500     3.800     0.500 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.22964E-03 ppm1      1.711 ppm2      7.508 CV     1
 ASSI { 1687}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      5.700     4.000     0.300 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.20213E-03 ppm1      1.704 ppm2      4.613 CV     1
 ASSI { 1688}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      4.600     2.600     1.400 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.17189E-03 ppm1      1.435 ppm2      4.607 CV     1
 ASSI { 1689}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.600     2.600     1.400 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16822E-03 ppm1      1.700 ppm2      4.471 CV     1
 ASSI { 1690}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.43165E-03 ppm1      3.558 ppm2      4.617 CV     1
 ASSI { 1691}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 70   and name HA2 ))
      3.800     1.800     1.800 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.82838E-03 ppm1      3.558 ppm2      3.784 CV     1
 ASSI { 1692}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 70   and name HA2 ))
      4.900     3.000     1.100 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.81471E-03 ppm1      1.445 ppm2      3.781 CV     1
 ASSI { 1693}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      5.300     3.600     0.700 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.19117E-03 ppm1      1.450 ppm2      4.469 CV     1
 ASSI { 1695}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     5.400     0.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.36210E-04 ppm1      3.557 ppm2      2.566 CV     1
 ASSI { 1700}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.700     1.700     1.700 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15393E-02 ppm1      3.558 ppm2      0.897 CV     1
 ASSI { 1701}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
      2.800     1.000     1.000 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.64313E-02 ppm1      3.559 ppm2      0.792 CV     1
 ASSI { 1702}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      4.200     2.200     1.800 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1      3.559 ppm2      0.423 CV     1
 ASSI { 1703}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      1.900     0.500     0.500 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.53261E-02 ppm1      3.559 ppm2      0.635 CV     1
 ASSI { 1704}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      2.600     0.800     0.800 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.25795E-02 ppm1      1.446 ppm2      0.779 CV     1
 ASSI { 1707}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 69   and name HB  ))
      5.200     3.300     0.800 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.36242E-03 ppm1      1.698 ppm2      2.266 CV     1
 ASSI { 1708}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.200     2.200     1.800 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.27057E-03 ppm1      1.700 ppm2      2.572 CV     1
 ASSI { 1709}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 69   and name HB  ))
      4.500     2.500     1.500 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.62809E-03 ppm1      1.449 ppm2      2.277 CV     1
 ASSI { 1710}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     3.000     3.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.38784E-02 ppm1      1.743 ppm2      8.446 CV     1
 ASSI { 1711}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 70   and name HN  ))
      4.400     2.400     1.600 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.26784E-03 ppm1      1.739 ppm2      9.397 CV     1
 ASSI { 1713}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.200     1.800 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.40918E-03 ppm1      1.745 ppm2      4.618 CV     1
 ASSI { 1714}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 69   and name HB  ))
      4.300     2.300     1.700 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.30251E-03 ppm1      1.737 ppm2      2.245 CV     1
 ASSI { 1716}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      4.500     2.500     1.500 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.12690E-02 ppm1      0.787 ppm2      9.403 CV     1
 ASSI { 1717}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      4.700     2.800     1.300 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.77151E-03 ppm1      0.787 ppm2      8.638 CV     1
 ASSI { 1718}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      5.300     3.500     0.700 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.25577E-03 ppm1      0.788 ppm2      8.026 CV     1
 ASSI { 1719}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.84572E-03 ppm1      0.787 ppm2      7.510 CV     1
 ASSI { 1720}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HE21))
      3.600     1.600     1.600 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.54822E-03 ppm1      0.787 ppm2      6.823 CV     1
 ASSI { 1721}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 27   and name HA  ))
      4.400     2.400     1.600 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.19817E-03 ppm1      0.786 ppm2      4.620 CV     1
 ASSI { 1723}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      3.600     1.600     1.600 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.19423E-02 ppm1      0.786 ppm2      4.169 CV     1
 ASSI { 1724}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HA2 ))
      3.000     1.200     1.200 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.52362E-02 ppm1      0.786 ppm2      3.776 CV     1
 ASSI { 1727}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 70   and name HA1 ))
      3.500     1.500     1.500 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.51055E-03 ppm1      0.887 ppm2      3.994 CV     1
 ASSI { 1728}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
      5.300     3.600     0.700 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.94337E-04 ppm1      0.884 ppm2      4.183 CV     1
 ASSI { 1729}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.12004E-02 ppm1      0.886 ppm2      7.510 CV     1
 ASSI { 1730}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 4    and name HE21))
      3.000     3.000     3.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.11325E-02 ppm1      0.885 ppm2      6.823 CV     1
 ASSI { 1731}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 70   and name HN  ))
      5.500     3.800     0.500 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.23001E-03 ppm1      0.888 ppm2      9.407 CV     1
 ASSI { 1732}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
      5.500     3.700     0.500 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.15933E-03 ppm1      0.888 ppm2      8.643 CV     1
 ASSI { 1733}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      5.500     3.700     0.500 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.48258E-03 ppm1      0.787 ppm2      3.369 CV     1
 ASSI { 1737}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 69   and name HB  ))
      4.700     2.700     1.300 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.74732E-03 ppm1      0.888 ppm2      2.217 CV     1
 ASSI { 1739}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.32928E-02 ppm1      4.064 ppm2     10.182 CV     1
 ASSI { 1740}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.36342E-02 ppm1      3.832 ppm2     10.181 CV     1
 ASSI { 1741}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.600     1.500 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.39634E-03 ppm1      4.064 ppm2      7.984 CV     1
 ASSI { 1743}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.16494E-02 ppm1      3.833 ppm2      7.676 CV     1
 ASSI { 1748}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      5.300     3.500     0.700 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.26007E-03 ppm1      3.831 ppm2      5.213 CV     1
 ASSI { 1749}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.19832E-02 ppm1      4.065 ppm2      4.897 CV     1
 ASSI { 1750}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.81623E-03 ppm1      3.833 ppm2      4.900 CV     1
 ASSI { 1756}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      4.062 ppm2      2.741 CV     1
 ASSI { 1757}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.800     2.800     1.200 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.25546E-02 ppm1      3.833 ppm2      2.420 CV     1
 ASSI { 1758}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.800     1.800     1.800 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.17883E-02 ppm1      4.064 ppm2      2.422 CV     1
 ASSI { 1766}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
      4.700     2.800     1.300 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.20876E-03 ppm1      3.832 ppm2      1.760 CV     1
 OR { 1766}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1768}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.20420E-02 ppm1      4.065 ppm2      8.132 CV     1
 ASSI { 1769}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      2.400     0.700     0.700 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.34486E-02 ppm1      3.154 ppm2      7.162 CV     1
 ASSI { 1770}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
      2.500     0.800     0.800 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.31976E-02 ppm1      3.236 ppm2      7.162 CV     1
 ASSI { 1771}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      2.400     0.700     0.700 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.36579E-02 ppm1      4.064 ppm2      7.162 CV     1
 ASSI { 1772}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      4.500     2.600     1.500 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.38493E-03 ppm1      4.064 ppm2      6.967 CV     1
 ASSI { 1773}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HE% )
      4.700     2.800     1.300 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.39272E-03 ppm1      3.149 ppm2      6.967 CV     1
 ASSI { 1774}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 32   and name HE% )
      4.700     2.700     1.300 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.36546E-03 ppm1      3.237 ppm2      6.964 CV     1
 ASSI { 1775}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      3.235 ppm2      8.561 CV     1
 ASSI { 1776}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      5.200     3.300     0.800 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.19278E-03 ppm1      4.065 ppm2      7.295 CV     1
 ASSI { 1782}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
      4.100     2.100     1.900 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.12055E-02 ppm1      3.152 ppm2      1.386 CV     1
 ASSI { 1783}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 33   and name HG2%)
      5.400     3.600     0.600 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.44543E-03 ppm1      3.156 ppm2      1.265 CV     1
 ASSI { 1784}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 33   and name HG2%)
      4.200     2.300     1.800 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.60779E-03 ppm1      3.233 ppm2      1.255 CV     1
 ASSI { 1785}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
      3.400     1.500     1.500 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.17556E-02 ppm1      3.237 ppm2      0.929 CV     1
 OR { 1785}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1786}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
      4.400     2.500     1.600 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.15586E-02 ppm1      3.152 ppm2      0.925 CV     1
 OR { 1786}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1790}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.000     0.500     0.500 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.52274E-02 ppm1      4.064 ppm2      0.606 CV     1
 ASSI { 1792}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.26225E-02 ppm1      4.133 ppm2      8.563 CV     1
 ASSI { 1793}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.15324E-02 ppm1      4.457 ppm2      8.567 CV     1
 ASSI { 1794}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      5.000     3.100     1.000 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.16453E-03 ppm1      4.452 ppm2      2.415 CV     1
 ASSI { 1795}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.100     2.100     1.900 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.26156E-03 ppm1      4.130 ppm2      2.418 CV     1
 ASSI { 1797}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.200     0.600     0.600 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.69914E-02 ppm1      4.459 ppm2      1.270 CV     1
 ASSI { 1798}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.27899E-02 ppm1      1.263 ppm2      8.569 CV     1
 ASSI { 1799}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.24693E-02 ppm1      4.458 ppm2      8.042 CV     1
 ASSI { 1800}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.40003E-03 ppm1      1.261 ppm2      8.275 CV     1
 ASSI { 1801}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.700     1.700 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.11422E-02 ppm1      4.133 ppm2      7.975 CV     1
 ASSI { 1802}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.68801E-03 ppm1      4.459 ppm2      7.303 CV     1
 ASSI { 1803}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      5.200     3.300     0.800 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.21667E-03 ppm1      4.456 ppm2      7.485 CV     1
 ASSI { 1806}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      4.500     2.500     1.500 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.40750E-03 ppm1      1.264 ppm2      4.613 CV     1
 ASSI { 1809}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.900     0.900 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.22946E-02 ppm1      4.348 ppm2      7.484 CV     1
 ASSI { 1811}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      5.400     3.700     0.600 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.16161E-03 ppm1      1.452 ppm2      7.281 CV     1
 ASSI { 1812}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      4.600     2.600     1.400 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.34438E-03 ppm1      1.457 ppm2      7.686 CV     1
 ASSI { 1813}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.38370E-03 ppm1      1.570 ppm2      7.293 CV     1
 ASSI { 1814}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      5.300     3.500     0.700 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.12920E-03 ppm1      1.566 ppm2      7.156 CV     1
 ASSI { 1815}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.54477E-03 ppm1      2.294 ppm2      7.289 CV     1
 ASSI { 1816}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
      4.800     2.900     1.200 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.44523E-03 ppm1      2.296 ppm2      7.159 CV     1
 ASSI { 1817}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.13842E-02 ppm1      4.350 ppm2      7.298 CV     1
 ASSI { 1818}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      5.100     3.300     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.28945E-03 ppm1      4.341 ppm2      7.664 CV     1
 ASSI { 1820}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.10255E-02 ppm1      1.451 ppm2      4.063 CV     1
 ASSI { 1821}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.300     1.400     1.400 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.34603E-02 ppm1      2.294 ppm2      4.073 CV     1
 ASSI { 1823}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.600     1.600 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.81406E-03 ppm1      1.453 ppm2      3.023 CV     1
 ASSI { 1825}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.500     2.500     1.500 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.62318E-03 ppm1      1.451 ppm2      2.707 CV     1
 ASSI { 1826}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.700     2.700     1.300 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.44333E-03 ppm1      4.354 ppm2      2.722 CV     1
 ASSI { 1827}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.900     1.900     1.900 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.44986E-03 ppm1      4.350 ppm2      2.437 CV     1
 ASSI { 1828}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.800     0.800 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.51683E-03 ppm1      1.451 ppm2      2.039 CV     1
 ASSI { 1831}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.15106E-02 ppm1      0.601 ppm2      7.486 CV     1
 ASSI { 1832}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.300     1.300 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.20789E-02 ppm1      0.758 ppm2      7.485 CV     1
 ASSI { 1833}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      4.700     2.800     1.300 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.50716E-03 ppm1      0.600 ppm2      6.353 CV     1
 ASSI { 1834}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      3.600     1.600     1.600 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.72171E-03 ppm1      0.600 ppm2      6.969 CV     1
 ASSI { 1835}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 32   and name HD% )
      2.700     0.900     0.900 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.19155E-02 ppm1      0.600 ppm2      7.161 CV     1
 ASSI { 1836}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      3.200     3.200     2.800 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.28980E-03 ppm1      0.596 ppm2      7.690 CV     1
 ASSI { 1837}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.12142E-03 ppm1      0.600 ppm2      7.300 CV     1
 ASSI { 1838}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 32   and name HD% )
      6.000     5.200     0.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.11745E-03 ppm1      0.759 ppm2      7.149 CV     1
 ASSI { 1839}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.18211E-03 ppm1      0.758 ppm2      7.292 CV     1
 ASSI { 1840}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      3.200     3.200     2.800 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.27932E-03 ppm1      0.759 ppm2      7.704 CV     1
 ASSI { 1841}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      4.500     2.500     1.500 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.42118E-03 ppm1      0.601 ppm2      8.124 CV     1
 ASSI { 1842}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 32   and name HE% )
      6.000     6.000     0.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.13279E-04 ppm1      0.760 ppm2      6.962 CV     1
 ASSI { 1843}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.10574E-02 ppm1      0.757 ppm2      6.351 CV     1
 ASSI { 1844}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      4.400     2.400     1.600 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.29387E-03 ppm1      0.754 ppm2      4.590 CV     1
 ASSI { 1845}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HA  ))
      2.000     0.500     0.500 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.93564E-02 ppm1      0.757 ppm2      4.356 CV     1
 ASSI { 1847}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      4.200     2.200     1.800 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.11003E-02 ppm1      0.599 ppm2      4.357 CV     1
 ASSI { 1849}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.28961E-02 ppm1      0.757 ppm2      3.528 CV     1
 ASSI { 1850}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      5.000     3.100     1.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.40297E-03 ppm1      0.600 ppm2      3.030 CV     1
 ASSI { 1851}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.400     1.400 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.19450E-02 ppm1      0.757 ppm2      3.022 CV     1
 ASSI { 1852}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HB1 ))
      2.300     0.700     0.700 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.25654E-02 ppm1      0.758 ppm2      2.691 CV     1
 ASSI { 1853}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
      3.600     1.600     1.600 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.18506E-02 ppm1      0.758 ppm2      2.575 CV     1
 ASSI { 1855}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      2.700     0.900     0.900 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.25940E-02 ppm1      0.758 ppm2      2.036 CV     1
 ASSI { 1856}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.600     1.600     1.600 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.10719E-02 ppm1      0.601 ppm2      2.039 CV     1
 ASSI { 1858}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.58767E-02 ppm1      0.758 ppm2      1.321 CV     1
 ASSI { 1861}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.18483E-02 ppm1      3.965 ppm2      8.043 CV     1
 ASSI { 1862}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.75705E-02 ppm1      0.919 ppm2      8.039 CV     1
 OR { 1862}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1864}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.52232E-02 ppm1      0.920 ppm2      8.289 CV     1
 OR { 1864}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1866}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      2.800     0.900     0.900 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.73587E-03 ppm1      0.920 ppm2      7.301 CV     1
 OR { 1866}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1867}
   (  segid "    " and resid 38   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      2.900     1.100     1.100 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.33471E-02 ppm1      0.920 ppm2      7.161 CV     1
 OR { 1867}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
 ASSI { 1868}
   (  segid "    " and resid 38   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      4.200     2.200     1.800 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.65872E-03 ppm1      0.921 ppm2      6.977 CV     1
 OR { 1868}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
 ASSI { 1870}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      4.300     2.300     1.700 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.42903E-03 ppm1      3.968 ppm2      4.632 CV     1
 ASSI { 1872}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      5.000     3.100     1.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.36886E-03 ppm1      0.917 ppm2      4.629 CV     1
 OR { 1872}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1875}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.24199E-02 ppm1      3.962 ppm2      4.273 CV     1
 ASSI { 1876}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HB2 ))
      1.700     0.400     0.500 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.81878E-02 ppm1      3.960 ppm2      3.608 CV     1
 ASSI { 1878}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
      3.200     1.300     1.300 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.12367E-02 ppm1      0.920 ppm2      3.088 CV     1
 OR { 1878}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1880}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
      3.200     1.300     1.300 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.47308E-02 ppm1      0.924 ppm2      2.359 CV     1
 OR { 1880}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1880}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1880}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1881}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 43   and name HB1 ))
      4.100     2.100     1.900 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.13031E-02 ppm1      0.922 ppm2      2.065 CV     1
 OR { 1881}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1883}
   (  segid "    " and resid 38   and name HG1%)
   (  segid "    " and resid 19   and name HB% )
      2.000     0.500     0.500 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.11743E-01 ppm1      0.919 ppm2      1.539 CV     1
 OR { 1883}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 19   and name HB% )
 ASSI { 1885}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.800     0.800 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.26428E-02 ppm1      1.610 ppm2      8.049 CV     1
 ASSI { 1886}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.25295E-02 ppm1      1.707 ppm2      8.049 CV     1
 ASSI { 1887}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.800     0.800 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.37956E-02 ppm1      4.269 ppm2      8.047 CV     1
 ASSI { 1888}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.12762E-02 ppm1      1.862 ppm2      8.379 CV     1
 ASSI { 1890}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.300     1.300 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.12853E-02 ppm1      4.275 ppm2      7.332 CV     1
 ASSI { 1895}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HN  ))
      4.200     2.200     1.800 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.78447E-03 ppm1      0.950 ppm2      8.048 CV     1
 ASSI { 1896}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      3.000     3.000     3.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.41432E-03 ppm1      0.886 ppm2      8.373 CV     1
 ASSI { 1897}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.400     1.400 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.12341E-02 ppm1      0.951 ppm2      4.278 CV     1
 ASSI { 1898}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.400     1.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.13558E-02 ppm1      1.707 ppm2      4.277 CV     1
 ASSI { 1899}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 42   and name HN  ))
      3.600     1.600     1.600 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.14400E-03 ppm1      0.952 ppm2      8.382 CV     1
 ASSI { 1900}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.12835E-02 ppm1      0.887 ppm2      8.051 CV     1
 ASSI { 1904}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.21355E-02 ppm1      4.260 ppm2      8.378 CV     1
 ASSI { 1905}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      5.800     4.100     0.200 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.14689E-03 ppm1      3.603 ppm2      8.055 CV     1
 ASSI { 1906}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      4.400     2.400     1.600 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.24293E-03 ppm1      3.599 ppm2      4.800 CV     1
 ASSI { 1908}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.24103E-02 ppm1      3.601 ppm2      4.266 CV     1
 ASSI { 1909}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 19   and name HB% )
      4.200     2.200     1.800 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.60229E-03 ppm1      3.599 ppm2      1.520 CV     1
 ASSI { 1917}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.22460E-02 ppm1      4.101 ppm2      8.047 CV     1
 ASSI { 1918}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.44523E-03 ppm1      4.102 ppm2      7.935 CV     1
 ASSI { 1921}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.24464E-02 ppm1      1.914 ppm2      4.110 CV     1
 ASSI { 1923}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.20288E-02 ppm1      2.368 ppm2      4.109 CV     1
 OR { 1923}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1925}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.000     1.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.26690E-02 ppm1      4.099 ppm2      2.069 CV     1
 ASSI { 1928}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      5.300     3.500     0.700 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.26473E-03 ppm1      4.108 ppm2      1.099 CV     1
 ASSI { 1930}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
      2.700     0.900     0.900 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.11079E-02 ppm1      1.915 ppm2      1.382 CV     1
 ASSI { 1931}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      5.600     3.900     0.400 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.26464E-03 ppm1      1.919 ppm2      1.104 CV     1
 ASSI { 1935}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.700     1.700 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.13596E-03 ppm1      1.914 ppm2      8.044 CV     1
 ASSI { 1936}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     6.000     0.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.12628E-03 ppm1      4.106 ppm2      8.537 CV     1
 ASSI { 1939}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.46147E-02 ppm1      1.375 ppm2      0.893 CV     1
 OR { 1939}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1940}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.28929E-02 ppm1      3.561 ppm2      7.334 CV     1
 ASSI { 1941}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.50735E-02 ppm1      2.216 ppm2      7.334 CV     1
 ASSI { 1942}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.38189E-02 ppm1      2.214 ppm2      6.987 CV     1
 ASSI { 1943}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.500     1.500 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.93998E-03 ppm1      3.561 ppm2      6.983 CV     1
 ASSI { 1945}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.24884E-02 ppm1      2.210 ppm2      7.793 CV     1
 ASSI { 1946}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.44333E-02 ppm1      2.209 ppm2      7.942 CV     1
 ASSI { 1951}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.200     0.600     0.600 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.10275E-01 ppm1      2.214 ppm2      1.120 CV     1
 ASSI { 1953}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
      2.800     2.800     3.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.70014E-03 ppm1      1.105 ppm2      3.271 CV     1
 OR { 1953}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
 ASSI { 1956}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.28145E-02 ppm1      3.407 ppm2      8.050 CV     1
 ASSI { 1959}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.32352E-02 ppm1      2.299 ppm2      8.053 CV     1
 ASSI { 1960}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.000     1.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.17083E-02 ppm1      2.297 ppm2      7.935 CV     1
 ASSI { 1961}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      4.800     2.900     1.200 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.43922E-03 ppm1      2.289 ppm2      6.985 CV     1
 ASSI { 1965}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      4.300     2.300     1.700 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.77115E-03 ppm1      3.408 ppm2      1.635 CV     1
 OR { 1965}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 1967}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 43   and name HE% )
      3.600     1.600     1.600 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.75893E-03 ppm1      2.295 ppm2      1.383 CV     1
 ASSI { 1968}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.26079E-02 ppm1      2.299 ppm2      4.100 CV     1
 ASSI { 1973}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      4.700     2.700     1.300 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.24542E-03 ppm1      3.396 ppm2      1.190 CV     1
 ASSI { 1976}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.200     0.600     0.600 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.68041E-02 ppm1      0.973 ppm2      8.046 CV     1
 ASSI { 1977}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.16615E-02 ppm1      0.630 ppm2      8.044 CV     1
 ASSI { 1979}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.400     1.400 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.16149E-02 ppm1      0.631 ppm2      7.939 CV     1
 ASSI { 1980}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.84908E-03 ppm1      0.969 ppm2      7.918 CV     1
 ASSI { 1981}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      4.000     2.000     2.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.36934E-03 ppm1      0.634 ppm2      7.162 CV     1
 ASSI { 1982}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
      4.000     2.000     2.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.93432E-03 ppm1      0.631 ppm2      4.103 CV     1
 ASSI { 1983}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.27288E-02 ppm1      0.974 ppm2      4.097 CV     1
 ASSI { 1984}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      4.000     2.000     2.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.38118E-03 ppm1      0.631 ppm2      3.264 CV     1
 ASSI { 1988}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 43   and name HE% )
      3.000     1.200     1.200 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.21943E-02 ppm1      0.634 ppm2      1.387 CV     1
 ASSI { 1991}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      2.800     1.000     1.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.24970E-02 ppm1      0.634 ppm2      1.172 CV     1
 ASSI { 1992}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      5.000     3.100     1.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.10870E-03 ppm1      3.269 ppm2      1.702 CV     1
 ASSI { 1993}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.39182E-02 ppm1      3.268 ppm2      1.463 CV     1
 ASSI { 1998}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      5.200     3.400     0.800 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.26991E-03 ppm1      3.259 ppm2      3.573 CV     1
 ASSI { 2002}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      5.600     4.000     0.400 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.15078E-03 ppm1      3.273 ppm2      8.064 CV     1
 ASSI { 2008}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HG  ))
      2.500     0.800     0.800 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.53442E-02 ppm1      0.888 ppm2      1.705 CV     1
 ASSI { 2009}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB1 ))
      3.200     1.200     1.200 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.23235E-02 ppm1      0.888 ppm2      1.871 CV     1
 ASSI { 2010}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.800     0.800 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.46004E-02 ppm1      0.888 ppm2      1.622 CV     1
 ASSI { 2012}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.700     0.700 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.50270E-02 ppm1      2.042 ppm2      7.787 CV     1
 ASSI { 2014}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.15736E-02 ppm1      3.914 ppm2      7.922 CV     1
 ASSI { 2016}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.500     1.500 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.30485E-02 ppm1      3.912 ppm2      2.461 CV     1
 ASSI { 2017}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.900     1.900     1.900 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.10252E-02 ppm1      3.911 ppm2      2.272 CV     1
 ASSI { 2018}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.900     1.100     1.100 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.11329E-02 ppm1      3.912 ppm2      2.818 CV     1
 ASSI { 2022}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.76827E-02 ppm1      3.912 ppm2      1.098 CV     1
 ASSI { 2023}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
      2.700     0.900     0.900 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.50897E-02 ppm1      3.912 ppm2      0.978 CV     1
 ASSI { 2024}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      3.700     1.700     1.700 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.80659E-03 ppm1      3.914 ppm2      0.852 CV     1
 OR { 2024}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 2025}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.24734E-02 ppm1      0.975 ppm2      7.785 CV     1
 ASSI { 2026}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      2.100     0.600     0.600 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.97079E-02 ppm1      1.091 ppm2      7.788 CV     1
 ASSI { 2028}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.29928E-02 ppm1      1.091 ppm2      7.919 CV     1
 ASSI { 2029}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 49   and name HN  ))
      3.100     1.200     1.200 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.27052E-02 ppm1      0.975 ppm2      7.921 CV     1
 ASSI { 2036}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.20775E-02 ppm1      4.222 ppm2      8.822 CV     1
 ASSI { 2038}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.200     0.600     0.600 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.98534E-02 ppm1      1.454 ppm2      8.816 CV     1
 ASSI { 2039}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.42745E-02 ppm1      3.927 ppm2      8.816 CV     1
 ASSI { 2040}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.100     1.100 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      3.927 ppm2      8.223 CV     1
 ASSI { 2041}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.700     1.700     1.700 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.68281E-03 ppm1      3.926 ppm2      8.079 CV     1
 ASSI { 2042}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      2.600     0.800     0.800 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.26583E-02 ppm1      3.928 ppm2      7.456 CV     1
 ASSI { 2043}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.700     0.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.11806E-03 ppm1      3.931 ppm2      7.919 CV     1
 ASSI { 2044}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.400     2.400     1.600 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.25954E-03 ppm1      3.931 ppm2      7.732 CV     1
 ASSI { 2045}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 54   and name HD% )
      2.700     0.900     0.900 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.25292E-02 ppm1      1.453 ppm2      7.457 CV     1
 ASSI { 2046}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.500     2.600     1.500 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.78337E-03 ppm1      1.454 ppm2      7.927 CV     1
 ASSI { 2047}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      4.900     2.900     1.100 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.30936E-03 ppm1      1.455 ppm2      8.230 CV     1
 ASSI { 2048}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      5.100     3.200     0.900 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.15602E-03 ppm1      1.450 ppm2      8.072 CV     1
 ASSI { 2049}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 54   and name HE% )
      3.200     1.300     1.300 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.94858E-03 ppm1      1.454 ppm2      7.116 CV     1
 ASSI { 2050}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      3.200     1.300     1.300 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      3.929 ppm2      7.116 CV     1
 ASSI { 2051}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      4.400     2.400     1.600 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.33377E-03 ppm1      3.926 ppm2      4.245 CV     1
 ASSI { 2062}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.12424E-02 ppm1      3.927 ppm2      1.607 CV     1
 ASSI { 2065}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.200     0.600     0.600 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.66311E-02 ppm1      3.927 ppm2      0.718 CV     1
 ASSI { 2071}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.300     0.600     0.600 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.67456E-02 ppm1      1.453 ppm2      3.929 CV     1
 ASSI { 2073}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.16596E-02 ppm1      3.416 ppm2      8.084 CV     1
 ASSI { 2075}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HE% )
      4.600     2.600     1.400 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.52139E-03 ppm1      3.416 ppm2      7.111 CV     1
 ASSI { 2076}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD% )
      2.400     0.700     0.700 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.48766E-02 ppm1      3.416 ppm2      7.456 CV     1
 ASSI { 2077}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
      3.800     1.800     1.800 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.64834E-03 ppm1      3.417 ppm2      7.685 CV     1
 OR { 2077}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2078}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.68436E-03 ppm1      3.415 ppm2      7.824 CV     1
 ASSI { 2079}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
      2.400     0.700     0.700 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.42991E-02 ppm1      2.718 ppm2      7.457 CV     1
 ASSI { 2080}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HE% )
      4.700     2.800     1.300 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.44106E-03 ppm1      2.723 ppm2      7.114 CV     1
 ASSI { 2081}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     5.000     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.15694E-03 ppm1      3.416 ppm2      8.216 CV     1
 ASSI { 2082}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      5.200     3.300     0.800 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.16204E-03 ppm1      2.718 ppm2      8.204 CV     1
 ASSI { 2083}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.900     1.100     1.100 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.15965E-02 ppm1      3.416 ppm2      4.832 CV     1
 ASSI { 2088}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
      3.100     1.200     1.200 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.21799E-02 ppm1      3.416 ppm2      0.938 CV     1
 OR { 2088}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2093}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.400     1.400 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.11920E-02 ppm1      1.990 ppm2      7.841 CV     1
 ASSI { 2096}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.25801E-02 ppm1      4.658 ppm2      8.191 CV     1
 ASSI { 2097}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 75   and name HD% )
      6.000     4.600     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.85862E-04 ppm1      1.989 ppm2      6.795 CV     1
 ASSI { 2098}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 75   and name HE% )
      5.200     3.400     0.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.27910E-03 ppm1      1.997 ppm2      6.544 CV     1
 ASSI { 2104}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG1%)
      2.200     0.600     0.600 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.88500E-02 ppm1      1.990 ppm2      0.938 CV     1
 OR { 2104}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2105}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      3.200     1.300     1.300 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.16103E-02 ppm1      4.658 ppm2      0.945 CV     1
 OR { 2105}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2107}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.21374E-02 ppm1      0.955 ppm2      4.667 CV     1
 ASSI { 2108}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.400     1.400 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.15903E-02 ppm1      0.908 ppm2      4.670 CV     1
 ASSI { 2109}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.900     0.900 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.28187E-02 ppm1      0.908 ppm2      7.841 CV     1
 ASSI { 2110}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.300     1.300 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.25339E-02 ppm1      0.956 ppm2      7.837 CV     1
 ASSI { 2113}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      3.300     1.300     1.300 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      0.957 ppm2      8.191 CV     1
 ASSI { 2114}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 81   and name HN  ))
      4.700     2.800     1.300 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.25525E-03 ppm1      0.911 ppm2      8.321 CV     1
 ASSI { 2115}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.300     1.400     1.400 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.18726E-02 ppm1      0.907 ppm2      8.192 CV     1
 ASSI { 2117}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 75   and name HE% )
      4.300     2.300     1.700 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.88316E-03 ppm1      0.908 ppm2      6.546 CV     1
 ASSI { 2118}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 75   and name HD% )
      4.400     2.400     1.600 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.49141E-03 ppm1      0.909 ppm2      6.803 CV     1
 ASSI { 2119}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 75   and name HE% )
      3.700     1.700     1.700 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.94137E-03 ppm1      0.955 ppm2      6.547 CV     1
 ASSI { 2121}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.400     1.400 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.16530E-02 ppm1      0.908 ppm2      4.403 CV     1
 ASSI { 2124}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.22101E-02 ppm1      0.956 ppm2      4.401 CV     1
 ASSI { 2126}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 54   and name HA  ))
      5.800     4.200     0.200 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.14763E-03 ppm1      0.908 ppm2      4.853 CV     1
 ASSI { 2127}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      0.908 ppm2      2.721 CV     1
 ASSI { 2129}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.23665E-02 ppm1      0.908 ppm2      3.481 CV     1
 ASSI { 2130}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.12362E-02 ppm1      0.908 ppm2      3.580 CV     1
 ASSI { 2131}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.13754E-02 ppm1      0.955 ppm2      3.474 CV     1
 ASSI { 2138}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 58   and name HG11))
      2.400     0.700     0.700 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.34687E-02 ppm1      0.911 ppm2      1.551 CV     1
 ASSI { 2144}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      3.000     1.100     1.100 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.13910E-02 ppm1      4.454 ppm2      1.689 CV     1
 ASSI { 2145}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
      2.000     0.500     0.500 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.87482E-02 ppm1      4.451 ppm2      3.792 CV     1
 OR { 2145}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2146}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      5.300     3.500     0.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.28946E-03 ppm1      1.680 ppm2      4.696 CV     1
 ASSI { 2147}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      3.300     1.400     1.400 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.10971E-02 ppm1      4.453 ppm2      6.550 CV     1
 ASSI { 2148}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 75   and name HE% )
      6.000     4.700     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.19181E-03 ppm1      1.689 ppm2      6.550 CV     1
 ASSI { 2149}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.300     1.400     1.400 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.11651E-02 ppm1      1.683 ppm2      2.298 CV     1
 ASSI { 2151}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.700     0.700 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.49700E-02 ppm1      4.450 ppm2      0.279 CV     1
 ASSI { 2152}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      4.100     2.100     1.900 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.13244E-02 ppm1      4.452 ppm2      0.613 CV     1
 ASSI { 2154}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      2.500     0.800     0.800 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.19687E-02 ppm1      4.451 ppm2      0.785 CV     1
 ASSI { 2155}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.600     0.600 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.61338E-02 ppm1      1.677 ppm2      0.280 CV     1
 ASSI { 2158}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.11684E-02 ppm1      1.545 ppm2      4.461 CV     1
 ASSI { 2160}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 75   and name HD% )
      5.000     3.100     1.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.46638E-03 ppm1      1.547 ppm2      6.808 CV     1
 ASSI { 2161}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 75   and name HE% )
      4.400     2.400     1.600 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.10841E-02 ppm1      1.544 ppm2      6.546 CV     1
 ASSI { 2162}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 75   and name HE% )
      2.400     0.700     0.700 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.16861E-02 ppm1      0.780 ppm2      6.549 CV     1
 ASSI { 2163}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 75   and name HD% )
      3.400     1.400     1.400 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.87081E-03 ppm1      0.781 ppm2      6.811 CV     1
 ASSI { 2164}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 57   and name HA  ))
      3.900     1.900     1.900 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.51948E-03 ppm1      1.546 ppm2      4.694 CV     1
 ASSI { 2165}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 57   and name HA  ))
      5.500     3.800     0.500 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.15945E-03 ppm1      0.781 ppm2      4.695 CV     1
 ASSI { 2167}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 59   and name HD1 ))
      5.000     3.100     1.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.33503E-03 ppm1      0.783 ppm2      3.795 CV     1
 OR { 2167}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2168}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 51   and name HG1 ))
      3.900     1.900     1.900 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.98612E-03 ppm1      1.541 ppm2      2.813 CV     1
 ASSI { 2169}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 51   and name HG1 ))
      3.300     3.300     2.700 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.24610E-03 ppm1      0.781 ppm2      2.813 CV     1
 ASSI { 2170}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 51   and name HG2 ))
      3.200     1.300     1.300 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.11396E-02 ppm1      1.542 ppm2      2.287 CV     1
 ASSI { 2173}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
      5.500     3.700     0.500 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.25535E-03 ppm1      0.275 ppm2      4.685 CV     1
 ASSI { 2174}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 75   and name HE% )
      3.100     1.200     1.200 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.16375E-02 ppm1      0.271 ppm2      6.548 CV     1
 ASSI { 2175}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      3.500     1.600     1.600 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.10401E-02 ppm1      0.270 ppm2      6.810 CV     1
 ASSI { 2176}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HE% )
      4.100     2.100     1.900 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.92588E-03 ppm1      0.601 ppm2      6.546 CV     1
 ASSI { 2177}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      3.300     1.300     1.300 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.79566E-03 ppm1      0.600 ppm2      6.803 CV     1
 ASSI { 2178}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      5.200     3.400     0.800 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.19329E-03 ppm1      0.266 ppm2      7.937 CV     1
 ASSI { 2180}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.100     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.88675E-04 ppm1      0.606 ppm2      7.925 CV     1
 ASSI { 2187}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HD1 ))
      3.400     1.400     1.400 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.21606E-02 ppm1      0.271 ppm2      3.796 CV     1
 OR { 2187}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2188}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      4.000     2.000     2.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.49138E-03 ppm1      0.602 ppm2      3.278 CV     1
 ASSI { 2189}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HG1 ))
      2.800     2.800     3.200 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.67453E-03 ppm1      0.603 ppm2      2.819 CV     1
 ASSI { 2190}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 51   and name HG1 ))
      3.400     3.400     2.600 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.21625E-03 ppm1      0.278 ppm2      2.813 CV     1
 ASSI { 2199}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 56   and name HG2%)
      4.200     2.200     1.800 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      0.270 ppm2      0.997 CV     1
 ASSI { 2201}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.44410E-02 ppm1      3.193 ppm2      7.696 CV     1
 ASSI { 2203}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.200     1.200     1.200 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      3.194 ppm2      7.093 CV     1
 ASSI { 2204}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.48329E-03 ppm1      3.194 ppm2      7.286 CV     1
 ASSI { 2211}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      2.400     0.700     0.700 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.36417E-02 ppm1      3.193 ppm2      1.958 CV     1
 ASSI { 2212}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      2.300     0.700     0.700 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.43870E-02 ppm1      3.192 ppm2      1.794 CV     1
 ASSI { 2213}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
      4.900     3.000     1.100 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.36944E-03 ppm1      3.191 ppm2      1.390 CV     1
 OR { 2213}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2215}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
      4.900     3.000     1.100 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.36126E-03 ppm1      3.187 ppm2      1.055 CV     1
 OR { 2215}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2217}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.500     0.800     0.800 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.50745E-02 ppm1      3.192 ppm2      0.395 CV     1
 ASSI { 2218}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.31878E-02 ppm1      3.192 ppm2      0.278 CV     1
 ASSI { 2219}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.900     0.900 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.20881E-02 ppm1      1.953 ppm2      0.276 CV     1
 ASSI { 2221}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.23398E-02 ppm1      0.830 ppm2      7.702 CV     1
 ASSI { 2224}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      5.400     3.700     0.600 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.22859E-03 ppm1      0.850 ppm2      8.649 CV     1
 ASSI { 2225}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 61   and name HN  ))
      5.100     3.200     0.900 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.15780E-03 ppm1      0.826 ppm2      8.654 CV     1
 ASSI { 2226}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.20715E-02 ppm1      0.831 ppm2      7.095 CV     1
 ASSI { 2237}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.12730E-02 ppm1      0.873 ppm2      7.683 CV     1
 ASSI { 2238}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.44805E-03 ppm1      0.872 ppm2      8.344 CV     1
 ASSI { 2239}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      4.600     2.600     1.400 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.32200E-03 ppm1      2.213 ppm2      8.343 CV     1
 ASSI { 2240}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.700     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.17650E-03 ppm1      2.212 ppm2      7.276 CV     1
 ASSI { 2241}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 32   and name HE% )
      4.700     2.800     1.300 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.19366E-03 ppm1      2.218 ppm2      6.975 CV     1
 ASSI { 2242}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 32   and name HE% )
      4.200     2.200     1.800 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.26435E-03 ppm1      0.868 ppm2      6.966 CV     1
 ASSI { 2244}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.19951E-02 ppm1      0.873 ppm2      4.490 CV     1
 ASSI { 2245}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      4.700     2.700     1.300 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.62480E-03 ppm1      2.213 ppm2      3.190 CV     1
 ASSI { 2246}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HE1 ))
      4.500     2.500     1.500 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.49743E-03 ppm1      2.215 ppm2      3.064 CV     1
 OR { 2246}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI { 2247}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
      4.400     2.500     1.600 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.62114E-03 ppm1      0.871 ppm2      2.873 CV     1
 ASSI { 2248}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      4.400     2.400     1.600 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.52650E-03 ppm1      0.869 ppm2      3.181 CV     1
 ASSI { 2250}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H2A ))
      4.700     2.700     1.300 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.20273E-03 ppm1      0.871 ppm2      2.601 CV     1
 OR { 2250}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI { 2251}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG  ))
      2.800     1.000     1.000 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.26872E-02 ppm1      2.214 ppm2      1.790 CV     1
 ASSI { 2252}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG  ))
      2.600     0.900     0.900 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.20281E-02 ppm1      0.874 ppm2      1.787 CV     1
 ASSI { 2253}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 66   and name HD1%)
      2.700     0.900     0.900 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.34360E-02 ppm1      2.213 ppm2      0.389 CV     1
 ASSI { 2256}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.600     1.600 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      0.390 ppm2      7.684 CV     1
 ASSI { 2259}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.700     2.800     1.300 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.36818E-03 ppm1      0.387 ppm2      7.926 CV     1
 ASSI { 2260}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 75   and name HE% )
      4.700     2.700     1.300 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.33290E-03 ppm1      0.391 ppm2      6.545 CV     1
 ASSI { 2261}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      5.600     3.900     0.400 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.25566E-03 ppm1      0.389 ppm2      7.285 CV     1
 ASSI { 2264}
   (( segid "    " and resid 66   and name HG  ))
   (  segid "    " and resid 75   and name HD% )
      5.700     4.100     0.300 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.12569E-03 ppm1      1.790 ppm2      6.811 CV     1
 ASSI { 2265}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 65   and name HN  ))
      4.700     2.700     1.300 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.28712E-03 ppm1      1.789 ppm2      7.288 CV     1
 ASSI { 2267}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      4.300     2.300     1.700 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.10068E-02 ppm1      0.388 ppm2      4.485 CV     1
 ASSI { 2270}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      5.000     3.100     1.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.28818E-03 ppm1      0.598 ppm2      4.863 CV     1
 ASSI { 2271}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 75   and name HE% )
      4.100     2.100     1.900 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.71010E-03 ppm1      0.595 ppm2      6.546 CV     1
 ASSI { 2272}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 75   and name HD% )
      2.900     1.000     1.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.28314E-02 ppm1      0.596 ppm2      6.808 CV     1
 ASSI { 2273}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      5.300     3.500     0.700 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.18520E-03 ppm1      0.594 ppm2      7.284 CV     1
 ASSI { 2274}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.500     1.500 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.13916E-02 ppm1      0.596 ppm2      7.695 CV     1
 ASSI { 2275}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.11062E-02 ppm1      0.596 ppm2      7.926 CV     1
 ASSI { 2276}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.73791E-03 ppm1      0.597 ppm2      8.186 CV     1
 ASSI { 2277}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HN  ))
      4.300     2.300     1.700 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.94156E-03 ppm1      0.596 ppm2      8.349 CV     1
 ASSI { 2280}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.900     0.900 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.36333E-02 ppm1      0.596 ppm2      4.103 CV     1
 ASSI { 2281}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      5.200     3.400     0.800 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.47712E-03 ppm1      0.596 ppm2      4.216 CV     1
 ASSI { 2285}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
      3.400     1.500     1.500 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.73794E-03 ppm1      0.594 ppm2      2.717 CV     1
 ASSI { 2286}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.600     1.600 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.32494E-02 ppm1      0.595 ppm2      2.879 CV     1
 ASSI { 2287}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      2.200     0.600     0.600 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.73425E-02 ppm1      0.596 ppm2      3.095 CV     1
 OR { 2287}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2288}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      6.000     5.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.13095E-03 ppm1      0.596 ppm2      3.486 CV     1
 ASSI { 2289}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 62   and name HB2 ))
      4.200     2.200     1.800 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.41494E-03 ppm1      0.392 ppm2      2.376 CV     1
 OR { 2289}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2290}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 62   and name HB2 ))
      4.100     2.100     1.900 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.38376E-03 ppm1      0.593 ppm2      2.375 CV     1
 OR { 2290}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2294}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H4A ))
      3.500     1.500     1.500 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.80847E-03 ppm1      0.394 ppm2      1.059 CV     1
 OR { 2294}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2296}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.30992E-02 ppm1      1.032 ppm2      8.565 CV     1
 ASSI { 2297}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.10295E-02 ppm1      5.207 ppm2      8.567 CV     1
 ASSI { 2299}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.71579E-03 ppm1      4.329 ppm2      8.569 CV     1
 ASSI { 2301}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.31381E-02 ppm1      4.325 ppm2      9.401 CV     1
 ASSI { 2302}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      1.032 ppm2      9.402 CV     1
 ASSI { 2303}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.000     0.500     0.500 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.47230E-02 ppm1      5.206 ppm2      8.128 CV     1
 ASSI { 2304}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.58253E-02 ppm1      4.325 ppm2      8.131 CV     1
 ASSI { 2305}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.100     1.200     1.200 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.24557E-02 ppm1      1.031 ppm2      8.133 CV     1
 ASSI { 2308}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.44142E-03 ppm1      1.034 ppm2      7.504 CV     1
 ASSI { 2309}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.66147E-03 ppm1      4.325 ppm2      7.500 CV     1
 ASSI { 2310}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      5.600     3.900     0.400 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.14131E-03 ppm1      5.210 ppm2      7.497 CV     1
 ASSI { 2311}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      5.800     4.200     0.200 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.15615E-03 ppm1      1.034 ppm2      7.167 CV     1
 ASSI { 2312}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      3.300     1.400     1.400 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.43427E-03 ppm1      5.206 ppm2      7.156 CV     1
 ASSI { 2313}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      5.000     3.100     1.000 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.10321E-03 ppm1      5.207 ppm2      6.950 CV     1
 ASSI { 2314}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      6.000     4.500     0.000 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.14482E-03 ppm1      1.035 ppm2      6.962 CV     1
 ASSI { 2315}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 32   and name HE% )
      5.100     3.200     0.900 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.23702E-03 ppm1      4.327 ppm2      6.967 CV     1
 ASSI { 2318}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG1 ))
      2.800     1.000     1.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.23187E-02 ppm1      1.032 ppm2      5.381 CV     1
 ASSI { 2319}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.100     1.200     1.200 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.11379E-02 ppm1      4.323 ppm2      5.377 CV     1
 ASSI { 2320}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.500     0.500 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.25264E-02 ppm1      5.206 ppm2      4.894 CV     1
 ASSI { 2321}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.21255E-02 ppm1      1.032 ppm2      4.897 CV     1
 ASSI { 2322}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.800     0.800 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.32740E-02 ppm1      1.031 ppm2      5.214 CV     1
 ASSI { 2323}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      2.500     0.800     0.800 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.30066E-02 ppm1      4.323 ppm2      5.212 CV     1
 ASSI { 2325}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
      3.300     1.300     1.300 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.83366E-03 ppm1      1.030 ppm2      3.835 CV     1
 ASSI { 2326}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HB1 ))
      4.000     2.000     2.000 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.14609E-02 ppm1      1.033 ppm2      4.067 CV     1
 ASSI { 2327}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      4.300     2.300     1.700 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.24775E-03 ppm1      5.202 ppm2      3.365 CV     1
 ASSI { 2329}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 29   and name HB1 ))
      3.000     3.000     3.000 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.46554E-03 ppm1      1.033 ppm2      2.751 CV     1
 ASSI { 2331}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HD2 ))
      3.000     1.100     1.100 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.10999E-02 ppm1      1.033 ppm2      1.750 CV     1
 OR { 2331}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 2333}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
      4.200     2.200     1.800 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      4.324 ppm2      0.423 CV     1
 ASSI { 2334}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      3.900     1.900     1.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.75948E-03 ppm1      5.205 ppm2      0.420 CV     1
 ASSI { 2335}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
      5.900     4.400     0.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.21607E-03 ppm1      1.034 ppm2      2.266 CV     1
 ASSI { 2336}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.24726E-02 ppm1      3.370 ppm2      8.141 CV     1
 ASSI { 2338}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.60695E-03 ppm1      3.367 ppm2      8.636 CV     1
 ASSI { 2341}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      3.600     1.700     1.700 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.68973E-03 ppm1      0.417 ppm2      7.161 CV     1
 ASSI { 2342}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      3.000     1.100     1.100 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.23516E-02 ppm1      0.417 ppm2      6.972 CV     1
 ASSI { 2343}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
      2.800     1.000     1.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.19005E-02 ppm1      0.417 ppm2      6.856 CV     1
 ASSI { 2344}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.12251E-02 ppm1      0.417 ppm2      7.498 CV     1
 ASSI { 2345}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      2.300     0.600     0.600 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.33038E-02 ppm1      3.369 ppm2      6.974 CV     1
 ASSI { 2346}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 32   and name HZ  ))
      2.600     0.900     0.900 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.40145E-02 ppm1      3.367 ppm2      6.855 CV     1
 ASSI { 2347}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      4.500     2.500     1.500 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.39363E-03 ppm1      3.369 ppm2      7.164 CV     1
 ASSI { 2348}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.500     1.500 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.11498E-02 ppm1      0.417 ppm2      6.353 CV     1
 ASSI { 2349}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      4.800     2.900     1.200 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.27621E-03 ppm1      0.417 ppm2      4.889 CV     1
 ASSI { 2352}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      5.500     3.700     0.500 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.19469E-03 ppm1      3.360 ppm2      4.886 CV     1
 ASSI { 2353}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      4.100     2.100     1.900 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.48239E-03 ppm1      3.373 ppm2      4.318 CV     1
 ASSI { 2356}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      2.100     0.600     0.600 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.68462E-02 ppm1      0.417 ppm2      3.375 CV     1
 ASSI { 2358}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HB  ))
      2.100     0.500     0.500 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.85804E-02 ppm1      0.417 ppm2      2.260 CV     1
 ASSI { 2360}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.98424E-03 ppm1      2.259 ppm2      3.379 CV     1
 ASSI { 2361}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.800     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.14002E-03 ppm1      2.260 ppm2      5.202 CV     1
 ASSI { 2364}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.500     1.500 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.66874E-03 ppm1      3.369 ppm2      9.401 CV     1
 ASSI { 2365}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
      4.400     2.400     1.600 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.11240E-02 ppm1      0.417 ppm2      9.399 CV     1
 ASSI { 2366}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
      5.100     3.300     0.900 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.21778E-03 ppm1      3.371 ppm2      1.745 CV     1
 ASSI { 2369}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.200     1.300     1.300 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.20794E-02 ppm1      0.416 ppm2      2.037 CV     1
 ASSI { 2370}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.300     0.600     0.600 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      0.629 ppm2      9.401 CV     1
 ASSI { 2374}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.14752E-03 ppm1      0.428 ppm2      8.902 CV     1
 ASSI { 2375}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.15986E-02 ppm1      0.631 ppm2      8.139 CV     1
 ASSI { 2379}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.27236E-03 ppm1      0.627 ppm2      6.350 CV     1
 ASSI { 2380}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      5.200     3.400     0.800 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.19731E-03 ppm1      0.621 ppm2      5.214 CV     1
 ASSI { 2382}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
      4.100     2.100     1.900 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.96390E-03 ppm1      0.627 ppm2      3.997 CV     1
 ASSI { 2385}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
      6.000     6.000     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.10742E-04 ppm1      0.420 ppm2      4.044 CV     1
 ASSI { 2393}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.100     0.500     0.500 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.45245E-02 ppm1      3.989 ppm2      9.403 CV     1
 ASSI { 2394}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.900     0.900 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.28909E-02 ppm1      3.770 ppm2      9.404 CV     1
 ASSI { 2395}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.32908E-03 ppm1      3.764 ppm2      8.188 CV     1
 ASSI { 2396}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.500     2.500     1.500 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.40003E-03 ppm1      3.993 ppm2      8.172 CV     1
 ASSI { 2397}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.36239E-03 ppm1      3.991 ppm2      8.034 CV     1
 ASSI { 2398}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.800     1.800     1.800 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.36174E-03 ppm1      3.760 ppm2      8.031 CV     1
 ASSI { 2400}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.600     1.600 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.85299E-03 ppm1      3.767 ppm2      8.384 CV     1
 ASSI { 2401}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 73   and name HN  ))
      4.100     2.200     1.900 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.66366E-03 ppm1      3.991 ppm2      8.635 CV     1
 ASSI { 2402}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.78192E-03 ppm1      3.766 ppm2      8.636 CV     1
 ASSI { 2404}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 68   and name HB  ))
      4.500     2.500     1.500 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.29267E-03 ppm1      3.986 ppm2      4.320 CV     1
 ASSI { 2405}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 73   and name HB  ))
      3.700     1.700     1.700 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.17424E-02 ppm1      3.989 ppm2      4.168 CV     1
 ASSI { 2407}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 68   and name HB  ))
      5.700     4.000     0.300 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.18784E-03 ppm1      3.776 ppm2      4.317 CV     1
 ASSI { 2408}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 73   and name HB  ))
      2.600     0.800     0.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.21170E-02 ppm1      3.770 ppm2      4.170 CV     1
 ASSI { 2409}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 69   and name HB  ))
      4.700     2.800     1.300 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.47094E-03 ppm1      3.989 ppm2      2.263 CV     1
 ASSI { 2410}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 69   and name HB  ))
      4.100     2.100     1.900 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.37041E-03 ppm1      3.772 ppm2      2.257 CV     1
 ASSI { 2411}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HB2 ))
      4.300     2.300     1.700 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.14215E-02 ppm1      3.989 ppm2      1.449 CV     1
 ASSI { 2413}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HG  ))
      3.400     1.500     1.500 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.11084E-02 ppm1      3.990 ppm2      1.735 CV     1
 OR { 2413}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2414}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HG  ))
      2.800     1.000     1.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.89451E-03 ppm1      3.773 ppm2      1.736 CV     1
 OR { 2414}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2416}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.800     1.800     1.800 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.35495E-02 ppm1      3.990 ppm2      0.794 CV     1
 ASSI { 2418}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 28   and name HD2%)
      3.500     1.500     1.500 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.78163E-03 ppm1      3.771 ppm2      0.891 CV     1
 ASSI { 2421}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 69   and name HG2%)
      4.800     2.800     1.200 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.53684E-03 ppm1      3.769 ppm2      0.634 CV     1
 ASSI { 2422}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.600     0.800     0.800 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.27214E-02 ppm1      4.095 ppm2      8.197 CV     1
 ASSI { 2423}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.100     1.100 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.13252E-02 ppm1      4.094 ppm2      7.924 CV     1
 ASSI { 2425}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.500     1.500 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.97286E-03 ppm1      4.095 ppm2      8.636 CV     1
 ASSI { 2426}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      2.000     0.500     0.500 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.84792E-02 ppm1      4.095 ppm2      1.573 CV     1
 ASSI { 2428}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 72   and name HN  ))
      2.300     0.700     0.700 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.46968E-02 ppm1      1.558 ppm2      8.193 CV     1
 ASSI { 2429}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 71   and name HN  ))
      4.900     3.000     1.100 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.36740E-03 ppm1      1.558 ppm2      8.390 CV     1
 ASSI { 2431}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 74   and name HN  ))
      5.200     3.400     0.800 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.18423E-03 ppm1      1.568 ppm2      8.039 CV     1
 ASSI { 2432}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 32   and name HD% )
      3.000     3.000     3.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.45238E-03 ppm1      1.560 ppm2      7.163 CV     1
 ASSI { 2433}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 32   and name HE% )
      2.500     0.800     0.800 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.29921E-02 ppm1      1.558 ppm2      6.974 CV     1
 ASSI { 2434}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 32   and name HZ  ))
      2.900     1.100     1.100 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.23655E-02 ppm1      1.558 ppm2      6.857 CV     1
 ASSI { 2437}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.500     2.600     1.500 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.21467E-03 ppm1      4.094 ppm2      3.659 CV     1
 ASSI { 2438}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      3.800     1.800     1.800 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.11138E-02 ppm1      1.559 ppm2      3.657 CV     1
 ASSI { 2443}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 66   and name HB1 ))
      3.600     1.600     1.600 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.67906E-03 ppm1      1.556 ppm2      2.214 CV     1
 ASSI { 2445}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.300     1.400     1.400 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.73600E-03 ppm1      4.093 ppm2      2.218 CV     1
 ASSI { 2448}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.100     0.600     0.600 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.43175E-02 ppm1      4.096 ppm2      0.389 CV     1
 ASSI { 2452}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 66   and name HD1%)
      3.100     1.200     1.200 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.16662E-02 ppm1      1.558 ppm2      0.399 CV     1
 ASSI { 2454}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 11   and name HD1%)
      2.200     0.600     0.600 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.64585E-02 ppm1      1.558 ppm2      0.865 CV     1
 OR { 2454}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2455}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.17123E-02 ppm1      3.656 ppm2      8.638 CV     1
 ASSI { 2456}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      2.200     0.600     0.600 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.51534E-02 ppm1      4.163 ppm2      8.638 CV     1
 ASSI { 2458}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.36925E-02 ppm1      4.163 ppm2      8.027 CV     1
 ASSI { 2461}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.400     1.400 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.28595E-02 ppm1      1.086 ppm2      8.637 CV     1
 ASSI { 2463}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.200     1.200 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.18817E-02 ppm1      1.086 ppm2      8.024 CV     1
 ASSI { 2464}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      5.600     3.900     0.400 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.19109E-03 ppm1      1.082 ppm2      8.190 CV     1
 ASSI { 2466}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      4.700     2.700     1.300 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.33309E-03 ppm1      4.164 ppm2      8.191 CV     1
 ASSI { 2467}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      5.200     3.300     0.800 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.29480E-03 ppm1      1.089 ppm2      9.233 CV     1
 ASSI { 2468}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.200     3.200     2.800 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.31540E-03 ppm1      1.088 ppm2      8.859 CV     1
 ASSI { 2470}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 80   and name HE21))
      5.700     4.000     0.300 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.15812E-03 ppm1      1.094 ppm2      7.705 CV     1
 OR { 2470}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2473}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      4.000     2.000     2.000 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.43253E-03 ppm1      1.087 ppm2      3.791 CV     1
 ASSI { 2476}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.10535E-02 ppm1      1.088 ppm2      3.373 CV     1
 ASSI { 2477}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
      2.300     0.700     0.700 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.75252E-02 ppm1      1.087 ppm2      2.155 CV     1
 OR { 2477}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 OR { 2477}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 2479}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 4    and name HB1 ))
      5.100     3.200     0.900 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.21839E-03 ppm1      4.158 ppm2      2.173 CV     1
 OR { 2479}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR { 2479}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 2480}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.800     1.800     1.800 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.60801E-03 ppm1      4.160 ppm2      1.902 CV     1
 ASSI { 2483}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      5.500     3.800     0.500 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.13884E-03 ppm1      3.656 ppm2      2.145 CV     1
 OR { 2483}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2485}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 72   and name HB% )
      5.600     3.900     0.400 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.25492E-03 ppm1      4.163 ppm2      1.570 CV     1
 ASSI { 2488}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
      3.700     1.700     1.700 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.22817E-02 ppm1      1.085 ppm2      1.586 CV     1
 ASSI { 2490}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
      4.600     2.600     1.400 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.56510E-03 ppm1      4.161 ppm2      0.639 CV     1
 ASSI { 2492}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      3.500     1.500     1.500 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.11800E-02 ppm1      3.656 ppm2      0.840 CV     1
 OR { 2492}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2497}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      5.900     4.400     0.100 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.14423E-03 ppm1      3.656 ppm2      0.194 CV     1
 ASSI { 2498}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.49662E-02 ppm1      4.208 ppm2      7.923 CV     1
 ASSI { 2499}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.600     0.600 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.52358E-02 ppm1      3.096 ppm2      7.924 CV     1
 OR { 2499}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2500}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.29238E-02 ppm1      3.093 ppm2      8.542 CV     1
 OR { 2500}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2501}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      4.204 ppm2      8.252 CV     1
 ASSI { 2502}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.500     1.500 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.79239E-03 ppm1      4.204 ppm2      8.058 CV     1
 ASSI { 2503}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.15603E-02 ppm1      4.205 ppm2      8.533 CV     1
 ASSI { 2504}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      4.400     2.400     1.600 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.62732E-03 ppm1      4.206 ppm2      6.546 CV     1
 ASSI { 2505}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      3.600     1.600     1.600 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.81626E-03 ppm1      4.206 ppm2      7.011 CV     1
 ASSI { 2506}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      2.900     1.100     1.100 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.29550E-02 ppm1      4.205 ppm2      6.807 CV     1
 ASSI { 2507}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HE% )
      4.100     2.100     1.900 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.10280E-02 ppm1      3.091 ppm2      6.547 CV     1
 OR { 2507}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HE% )
 ASSI { 2508}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD% )
      2.400     0.700     0.700 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.46496E-02 ppm1      3.095 ppm2      6.806 CV     1
 OR { 2508}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD% )
 ASSI { 2512}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.200     1.200     1.200 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.78395E-03 ppm1      4.206 ppm2      1.443 CV     1
 OR { 2512}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 2515}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 66   and name HD1%)
      3.300     1.400     1.400 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      3.094 ppm2      0.388 CV     1
 OR { 2515}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 2517}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.200     0.600     0.600 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.79957E-02 ppm1      4.205 ppm2      3.103 CV     1
 OR { 2517}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2519}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.39191E-02 ppm1      3.483 ppm2      8.533 CV     1
 ASSI { 2523}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      5.000     3.100     1.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.40291E-03 ppm1      3.487 ppm2      7.923 CV     1
 ASSI { 2524}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      4.600     2.600     1.400 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.22022E-03 ppm1      3.482 ppm2      8.264 CV     1
 ASSI { 2525}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.20205E-02 ppm1      0.897 ppm2      8.538 CV     1
 ASSI { 2526}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HN  ))
      2.000     0.500     0.500 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.36433E-02 ppm1      1.981 ppm2      8.539 CV     1
 ASSI { 2527}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 75   and name HN  ))
      4.800     2.800     1.200 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.29323E-03 ppm1      1.980 ppm2      7.931 CV     1
 ASSI { 2528}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 75   and name HE% )
      5.300     3.500     0.700 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.24654E-03 ppm1      1.976 ppm2      6.542 CV     1
 ASSI { 2529}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 75   and name HD% )
      3.100     1.200     1.200 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.83492E-03 ppm1      1.980 ppm2      6.809 CV     1
 ASSI { 2530}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.63404E-03 ppm1      0.898 ppm2      6.809 CV     1
 ASSI { 2531}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      4.300     2.300     1.700 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.48507E-03 ppm1      3.484 ppm2      6.545 CV     1
 ASSI { 2532}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      2.900     1.000     1.000 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.17039E-02 ppm1      3.483 ppm2      6.807 CV     1
 ASSI { 2533}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 75   and name HD% )
      5.200     3.300     0.800 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.21913E-03 ppm1      1.752 ppm2      6.788 CV     1
 ASSI { 2537}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 75   and name HB2 ))
      3.400     1.500     1.500 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.69312E-03 ppm1      1.980 ppm2      3.110 CV     1
 OR { 2537}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 2538}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 75   and name HB1 ))
      4.800     2.900     1.200 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.31024E-03 ppm1      0.891 ppm2      3.110 CV     1
 ASSI { 2539}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.900     0.900 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.26552E-02 ppm1      0.899 ppm2      3.487 CV     1
 ASSI { 2540}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.22615E-02 ppm1      1.981 ppm2      3.488 CV     1
 ASSI { 2542}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 73   and name HA  ))
      4.500     2.500     1.500 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.23098E-03 ppm1      1.979 ppm2      3.661 CV     1
 ASSI { 2543}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.600     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.13066E-03 ppm1      0.899 ppm2      3.702 CV     1
 ASSI { 2546}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.100     1.200     1.200 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.99472E-03 ppm1      3.483 ppm2      2.502 CV     1
 ASSI { 2550}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      5.700     4.100     0.300 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.24008E-03 ppm1      3.481 ppm2      1.119 CV     1
 ASSI { 2556}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.500     1.500 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.15176E-02 ppm1      0.603 ppm2      8.536 CV     1
 ASSI { 2557}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.24818E-02 ppm1      0.513 ppm2      8.525 CV     1
 ASSI { 2560}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.18504E-03 ppm1      0.605 ppm2      9.237 CV     1
 ASSI { 2561}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      2.900     1.100     1.100 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.19434E-02 ppm1      0.604 ppm2      7.456 CV     1
 ASSI { 2562}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      2.600     0.800     0.800 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.19602E-02 ppm1      0.514 ppm2      7.457 CV     1
 ASSI { 2563}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      2.700     0.900     0.900 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.12427E-02 ppm1      0.515 ppm2      7.693 CV     1
 OR { 2563}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2564}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.200     1.300     1.300 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.71175E-03 ppm1      0.604 ppm2      7.114 CV     1
 ASSI { 2566}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      4.200     2.200     1.800 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.41064E-03 ppm1      0.514 ppm2      7.118 CV     1
 ASSI { 2567}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      4.600     2.600     1.400 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.47637E-03 ppm1      0.516 ppm2      6.814 CV     1
 ASSI { 2569}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.300     0.600     0.600 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.53384E-02 ppm1      0.513 ppm2      3.477 CV     1
 ASSI { 2572}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.11629E-02 ppm1      0.605 ppm2      3.661 CV     1
 ASSI { 2574}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      0.605 ppm2      3.483 CV     1
 ASSI { 2575}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.19298E-03 ppm1      0.607 ppm2      4.113 CV     1
 ASSI { 2576}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
      3.100     1.200     1.200 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.32304E-02 ppm1      0.513 ppm2      1.989 CV     1
 ASSI { 2578}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.76814E-03 ppm1      0.515 ppm2      2.321 CV     1
 ASSI { 2580}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
      4.000     2.000     2.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.56388E-03 ppm1      0.518 ppm2      2.580 CV     1
 ASSI { 2581}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      2.000     0.500     0.500 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.71010E-02 ppm1      0.511 ppm2      1.763 CV     1
 ASSI { 2582}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HB  ))
      2.400     0.700     0.700 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.35699E-02 ppm1      0.605 ppm2      1.763 CV     1
 ASSI { 2583}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      2.100     0.500     0.500 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.62476E-02 ppm1      0.605 ppm2      1.987 CV     1
 ASSI { 2584}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
      2.900     2.900     3.100 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.50787E-03 ppm1      0.604 ppm2      2.720 CV     1
 ASSI { 2585}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 72   and name HB% )
      2.900     1.000     1.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.17779E-02 ppm1      0.604 ppm2      1.567 CV     1
 ASSI { 2586}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
      2.800     1.000     1.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.29711E-02 ppm1      0.604 ppm2      1.468 CV     1
 ASSI { 2589}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      3.100     3.100     2.900 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.35149E-03 ppm1      0.608 ppm2      1.257 CV     1
 ASSI { 2591}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.300     0.700     0.700 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.40931E-02 ppm1      3.872 ppm2      8.506 CV     1
 ASSI { 2592}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.35812E-02 ppm1      1.724 ppm2      8.504 CV     1
 ASSI { 2593}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.41012E-02 ppm1      1.667 ppm2      8.505 CV     1
 ASSI { 2594}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.67201E-03 ppm1      3.872 ppm2      7.841 CV     1
 ASSI { 2595}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     2.800     3.200 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.38797E-02 ppm1      3.872 ppm2      7.700 CV     1
 ASSI { 2596}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     2.400     3.600 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.43628E-02 ppm1      3.885 ppm2      8.226 CV     1
 ASSI { 2597}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.15067E-02 ppm1      1.725 ppm2      8.256 CV     1
 ASSI { 2598}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.17726E-02 ppm1      1.668 ppm2      8.259 CV     1
 ASSI { 2599}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      5.000     3.100     1.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.35389E-03 ppm1      1.724 ppm2      7.699 CV     1
 ASSI { 2600}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      5.500     3.800     0.500 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.31497E-03 ppm1      1.667 ppm2      7.694 CV     1
 ASSI { 2602}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      4.200     2.300     1.800 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.40627E-03 ppm1      1.601 ppm2      8.256 CV     1
 ASSI { 2603}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.600     1.600 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.73933E-03 ppm1      3.874 ppm2      4.337 CV     1
 ASSI { 2607}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.16219E-02 ppm1      1.601 ppm2      3.895 CV     1
 ASSI { 2608}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.900     0.900 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.32211E-02 ppm1      1.726 ppm2      3.899 CV     1
 ASSI { 2609}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.100     0.600     0.600 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.37768E-02 ppm1      1.666 ppm2      3.900 CV     1
 ASSI { 2614}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
      2.500     0.800     0.800 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.52032E-02 ppm1      1.725 ppm2      0.807 CV     1
 OR { 2614}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2615}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
      2.400     0.700     0.700 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.54703E-02 ppm1      1.667 ppm2      0.806 CV     1
 OR { 2615}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2618}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
      4.200     2.200     1.800 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      0.801 ppm2      8.513 CV     1
 OR { 2618}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2619}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
      3.900     1.900     1.900 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.35819E-03 ppm1      0.802 ppm2      8.851 CV     1
 OR { 2619}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 2620}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.300     1.300     1.300 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      0.801 ppm2      9.234 CV     1
 ASSI { 2621}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      4.600     2.600     1.400 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.41594E-03 ppm1      0.802 ppm2      8.253 CV     1
 OR { 2621}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2627}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.35971E-02 ppm1      0.801 ppm2      3.684 CV     1
 ASSI { 2628}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      5.300     3.600     0.700 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.24083E-03 ppm1      1.608 ppm2      3.696 CV     1
 ASSI { 2629}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
      2.400     0.700     0.700 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.56824E-02 ppm1      0.801 ppm2      2.165 CV     1
 OR { 2629}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HG1 ))
 OR { 2629}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HG2 ))
 OR { 2629}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 2631}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      2.100     2.100     3.900 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.35030E-02 ppm1      0.800 ppm2      1.105 CV     1
 OR { 2631}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2632}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.39017E-02 ppm1      4.158 ppm2      8.316 CV     1
 ASSI { 2633}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.79922E-02 ppm1      1.413 ppm2      8.317 CV     1
 ASSI { 2639}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA  ))
      4.600     2.700     1.400 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.82256E-03 ppm1      1.412 ppm2      4.400 CV     1
 ASSI { 2640}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 55   and name HB1 ))
      3.700     1.700     1.700 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.59071E-03 ppm1      1.415 ppm2      3.254 CV     1
 ASSI { 2642}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.000     3.000     3.000 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.41917E-03 ppm1      4.158 ppm2      2.149 CV     1
 ASSI { 2643}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      4.700     2.800     1.300 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.27933E-03 ppm1      4.158 ppm2      1.987 CV     1
 ASSI { 2644}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.300     2.300     1.700 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.38629E-03 ppm1      4.156 ppm2      2.336 CV     1
 ASSI { 2647}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      3.500     1.500     1.500 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.17082E-03 ppm1      4.159 ppm2      0.923 CV     1
 OR { 2647}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2648}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      5.600     3.900     0.400 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.33516E-03 ppm1      3.867 ppm2      2.333 CV     1
 ASSI { 2650}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      2.600     2.600     3.400 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.10043E-02 ppm1      1.110 ppm2      2.906 CV     1
 OR { 2650}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
 ASSI { 2655}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      5.700     4.000     0.300 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.24076E-03 ppm1      1.263 ppm2      4.789 CV     1
 ASSI { 2658}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.25080E-02 ppm1      4.105 ppm2      8.968 CV     1
 ASSI { 2659}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.26052E-02 ppm1      4.134 ppm2      8.969 CV     1
 ASSI { 2660}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.25166E-02 ppm1      4.090 ppm2      8.968 CV     1
 ASSI { 2664}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     1.300     1.300 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.99472E-03 ppm1      4.088 ppm2      8.048 CV     1
 OR { 2664}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2667}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      4.500     2.500     1.500 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.47870E-03 ppm1      4.109 ppm2      7.337 CV     1
 ASSI { 2668}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      4.300     2.300     1.700 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.48889E-03 ppm1      4.111 ppm2      4.627 CV     1
 ASSI { 2670}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28B))
      3.900     1.900     1.900 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.48439E-03 ppm1      4.088 ppm2      3.322 CV     1
 OR { 2670}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28B))
 ASSI { 2672}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 39   and name HB1 ))
      5.400     3.600     0.600 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.23697E-03 ppm1      4.088 ppm2      3.073 CV     1
 OR { 2672}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 2673}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.900     3.000     1.100 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.45448E-03 ppm1      4.104 ppm2      3.079 CV     1
 ASSI { 2674}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.200     1.300     1.300 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.20725E-02 ppm1      4.110 ppm2      2.068 CV     1
 ASSI { 2675}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      3.700     1.700     1.700 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.21643E-02 ppm1      4.109 ppm2      2.379 CV     1
 OR { 2675}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2678}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
      5.600     3.900     0.400 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.25239E-03 ppm1      4.112 ppm2      1.386 CV     1
 ASSI { 2679}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      6.000     5.300     0.000 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.82948E-04 ppm1      1.024 ppm2      6.958 CV     1
 ASSI { 2682}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      6.000     5.800     0.000 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.86838E-04 ppm1      1.026 ppm2      7.135 CV     1
 ASSI {    2}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.000     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.16246E-02 ppm1      8.849 ppm2      4.797 CV     1
 ASSI {    6}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.700     1.700     1.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.22702E-03 ppm1      8.850 ppm2      2.702 CV     1
 ASSI {    7}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.600     2.700     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.22509E-03 ppm1      8.851 ppm2      2.584 CV     1
 ASSI {    8}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.900     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.15905E-03 ppm1      8.850 ppm2      2.328 CV     1
 ASSI {   10}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      2.300     0.600     0.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.64442E-02 ppm1      8.850 ppm2      1.542 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      5.300     3.500     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.17351E-03 ppm1      8.546 ppm2      9.239 CV     1
 ASSI {   18}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.32533E-02 ppm1      8.550 ppm2      4.818 CV     1
 ASSI {   22}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      5.700     4.100     0.300 peak    22 spectrum    1 weight  0.10000E+01 volume  0.11743E-03 ppm1      8.550 ppm2      0.810 CV     1
 OR {   22}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   24}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.600     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.37768E-02 ppm1      8.550 ppm2      2.479 CV     1
 ASSI {   32}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.400     3.400     2.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.19475E-02 ppm1      9.234 ppm2      8.849 CV     1
 ASSI {   35}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.28958E-02 ppm1      9.234 ppm2      3.688 CV     1
 ASSI {   36}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.100     1.200     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.25426E-02 ppm1      9.234 ppm2      4.711 CV     1
 ASSI {   38}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
      2.300     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.57384E-02 ppm1      9.234 ppm2      2.170 CV     1
 OR {   38}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 OR {   38}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   39}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.38667E-02 ppm1      9.234 ppm2      2.018 CV     1
 ASSI {   40}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      5.300     3.500     0.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.11868E-03 ppm1      9.238 ppm2      2.475 CV     1
 ASSI {   44}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      3.200     1.300     1.300 peak    44 spectrum    1 weight  0.10000E+01 volume  0.24741E-02 ppm1      9.234 ppm2      0.810 CV     1
 OR {   44}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   45}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      4.000     2.000     2.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.56294E-03 ppm1      9.233 ppm2      0.515 CV     1
 OR {   45}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   49}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      8.856 ppm2      9.245 CV     1
 ASSI {   50}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.800     1.800     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.58519E-03 ppm1      8.856 ppm2      8.388 CV     1
 ASSI {   53}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.32608E-02 ppm1      8.855 ppm2      7.686 CV     1
 ASSI {   54}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.000     1.200     1.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.10436E-02 ppm1      8.855 ppm2      4.711 CV     1
 ASSI {   55}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      4.300     2.400     1.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.35427E-03 ppm1      8.855 ppm2      4.422 CV     1
 ASSI {   56}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      5.800     4.200     0.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.17528E-03 ppm1      8.855 ppm2      4.143 CV     1
 ASSI {   59}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      2.900     1.000     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.14905E-02 ppm1      8.855 ppm2      2.479 CV     1
 ASSI {   60}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.400     1.500     1.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.18409E-02 ppm1      8.855 ppm2      2.299 CV     1
 ASSI {   62}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      5.000     3.200     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.53730E-03 ppm1      8.854 ppm2      1.342 CV     1
 ASSI {   65}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      5.300     3.500     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.21157E-03 ppm1      8.856 ppm2      0.515 CV     1
 OR {   65}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   66}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      6.000     5.300     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.12810E-03 ppm1      8.864 ppm2      0.206 CV     1
 ASSI {   67}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      4.400     2.400     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.59880E-03 ppm1      7.687 ppm2      1.767 CV     1
 ASSI {   68}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.800     2.800     1.200 peak    68 spectrum    1 weight  0.10000E+01 volume  0.30108E-03 ppm1      7.687 ppm2      9.241 CV     1
 ASSI {   71}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.900     1.900     1.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.93506E-03 ppm1      7.686 ppm2      8.551 CV     1
 ASSI {   76}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.24317E-02 ppm1      7.697 ppm2      7.102 CV     1
 ASSI {   83}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak    83 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      7.685 ppm2      3.909 CV     1
 ASSI {   84}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.500     2.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.26911E-03 ppm1      7.685 ppm2      3.683 CV     1
 ASSI {   86}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.39806E-02 ppm1      7.685 ppm2      2.089 CV     1
 ASSI {   87}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      2.200     0.600     0.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.57548E-02 ppm1      7.696 ppm2      1.960 CV     1
 ASSI {   91}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      2.600     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.49451E-02 ppm1      7.698 ppm2      0.851 CV     1
 OR {   91}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {   93}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.500     1.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      7.699 ppm2      0.275 CV     1
 ASSI {  101}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      5.400     3.700     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.27537E-03 ppm1      8.384 ppm2      7.456 CV     1
 ASSI {  102}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      5.100     3.300     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.35741E-03 ppm1      8.387 ppm2      7.121 CV     1
 ASSI {  108}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.600     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.19202E-02 ppm1      8.388 ppm2      2.479 CV     1
 ASSI {  110}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     1.600     1.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.17723E-02 ppm1      8.389 ppm2      2.095 CV     1
 ASSI {  114}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.800     2.900     1.200 peak   114 spectrum    1 weight  0.10000E+01 volume  0.81238E-03 ppm1      8.393 ppm2      0.816 CV     1
 ASSI {  115}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.42483E-02 ppm1      8.390 ppm2      0.521 CV     1
 ASSI {  116}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      3.200     1.300     1.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.29730E-02 ppm1      8.391 ppm2      0.199 CV     1
 ASSI {  117}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      5.400     3.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.31276E-03 ppm1      8.371 ppm2      0.192 CV     1
 ASSI {  118}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak   118 spectrum    1 weight  0.10000E+01 volume  0.19888E-02 ppm1      8.370 ppm2      0.530 CV     1
 ASSI {  121}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.800     1.800     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.11894E-02 ppm1      8.370 ppm2      1.514 CV     1
 ASSI {  122}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.100     0.500     0.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.35699E-02 ppm1      8.370 ppm2      1.763 CV     1
 ASSI {  127}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.300     2.300     1.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.99909E-03 ppm1      8.371 ppm2      8.595 CV     1
 ASSI {  129}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.35020E-03 ppm1      8.372 ppm2      8.829 CV     1
 ASSI {  133}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      5.100     3.200     0.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.19617E-03 ppm1      8.371 ppm2      7.147 CV     1
 ASSI {  134}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.800     2.900     1.200 peak   134 spectrum    1 weight  0.10000E+01 volume  0.36992E-03 ppm1      7.717 ppm2      0.532 CV     1
 ASSI {  137}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.400     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.45523E-02 ppm1      7.716 ppm2      2.003 CV     1
 ASSI {  138}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      5.400     3.700     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.19386E-03 ppm1      7.717 ppm2      1.751 CV     1
 ASSI {  139}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      5.200     3.400     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.21450E-03 ppm1      7.715 ppm2      1.668 CV     1
 ASSI {  145}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.500     1.600     1.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.89878E-03 ppm1      7.716 ppm2      3.891 CV     1
 ASSI {  149}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.62250E-03 ppm1      7.717 ppm2      8.911 CV     1
 ASSI {  151}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.69244E-02 ppm1      7.716 ppm2      8.381 CV     1
 ASSI {  154}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     3.800     2.200 peak   154 spectrum    1 weight  0.10000E+01 volume  0.12614E-02 ppm1      7.716 ppm2      7.940 CV     1
 ASSI {  155}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.400     2.400     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.61927E-03 ppm1      7.715 ppm2      7.150 CV     1
 ASSI {  161}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.300     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.40317E-02 ppm1      8.387 ppm2      9.225 CV     1
 ASSI {  163}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.35550E-02 ppm1      8.387 ppm2      7.715 CV     1
 ASSI {  165}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      3.900     1.900     1.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.56488E-03 ppm1      8.386 ppm2      7.126 CV     1
 ASSI {  166}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.200     2.200     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.89050E-03 ppm1      8.385 ppm2      7.451 CV     1
 ASSI {  168}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.400     1.400 peak   168 spectrum    1 weight  0.10000E+01 volume  0.12042E-02 ppm1      8.387 ppm2      4.212 CV     1
 ASSI {  170}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.600     0.900     0.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.58955E-02 ppm1      8.387 ppm2      3.863 CV     1
 ASSI {  171}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.27973E-03 ppm1      8.386 ppm2      3.374 CV     1
 ASSI {  172}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      6.000     5.200     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.21112E-03 ppm1      8.380 ppm2      2.579 CV     1
 ASSI {  174}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      5.600     3.900     0.400 peak   174 spectrum    1 weight  0.10000E+01 volume  0.18700E-03 ppm1      8.390 ppm2      2.269 CV     1
 OR {  174}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  176}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      4.400     2.400     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.56973E-03 ppm1      8.388 ppm2      1.987 CV     1
 ASSI {  177}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.900     2.900     1.100 peak   177 spectrum    1 weight  0.10000E+01 volume  0.23882E-03 ppm1      8.394 ppm2      1.669 CV     1
 ASSI {  178}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.47114E-02 ppm1      8.387 ppm2      1.504 CV     1
 ASSI {  179}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     4.600     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.11457E-03 ppm1      8.382 ppm2      1.034 CV     1
 ASSI {  180}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      4.400     2.400     1.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.46464E-03 ppm1      8.388 ppm2      0.868 CV     1
 ASSI {  181}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.700     2.700     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.24338E-03 ppm1      8.390 ppm2      0.532 CV     1
 ASSI {  185}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.31407E-02 ppm1      9.226 ppm2      8.898 CV     1
 ASSI {  186}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.39359E-03 ppm1      9.227 ppm2      7.942 CV     1
 ASSI {  187}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.200     2.200     1.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1      9.227 ppm2      7.712 CV     1
 ASSI {  189}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.200     2.200     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.10490E-02 ppm1      9.227 ppm2      7.452 CV     1
 ASSI {  190}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      3.800     1.800     1.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.66098E-03 ppm1      9.226 ppm2      7.118 CV     1
 ASSI {  195}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.200     1.300     1.300 peak   195 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      9.225 ppm2      3.866 CV     1
 ASSI {  198}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.49791E-02 ppm1      9.226 ppm2      2.108 CV     1
 ASSI {  203}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.300     3.500     0.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.30206E-03 ppm1      9.227 ppm2      1.032 CV     1
 ASSI {  208}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      5.300     3.600     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.18528E-03 ppm1      8.341 ppm2      0.404 CV     1
 ASSI {  217}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.700     1.800     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.11635E-02 ppm1      8.339 ppm2      2.875 CV     1
 ASSI {  220}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.300     3.500     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.17255E-03 ppm1      8.334 ppm2      5.220 CV     1
 ASSI {  222}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     5.100     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.64084E-04 ppm1      8.347 ppm2      7.297 CV     1
 ASSI {  223}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      5.700     4.100     0.300 peak   223 spectrum    1 weight  0.10000E+01 volume  0.76232E-04 ppm1      8.345 ppm2      7.134 CV     1
 ASSI {  231}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.30306E-03 ppm1      7.681 ppm2      8.329 CV     1
 ASSI {  233}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.400     2.400     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.58984E-03 ppm1      7.680 ppm2      7.107 CV     1
 ASSI {  234}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      5.700     4.000     0.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.11331E-03 ppm1      7.676 ppm2      8.570 CV     1
 ASSI {  236}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.300     2.300     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.29622E-03 ppm1      7.680 ppm2      4.861 CV     1
 ASSI {  237}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak   237 spectrum    1 weight  0.10000E+01 volume  0.12433E-02 ppm1      7.681 ppm2      4.486 CV     1
 ASSI {  238}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.800     1.800     1.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.54257E-03 ppm1      7.680 ppm2      4.089 CV     1
 ASSI {  239}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H3A ))
      4.400     2.400     1.600 peak   239 spectrum    1 weight  0.10000E+01 volume  0.20067E-03 ppm1      7.679 ppm2      3.949 CV     1
 ASSI {  240}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     1.700     1.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.87627E-03 ppm1      7.681 ppm2      3.201 CV     1
 ASSI {  241}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.500     2.600     1.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.41626E-03 ppm1      7.681 ppm2      3.045 CV     1
 ASSI {  242}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.900     1.900     1.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.49649E-03 ppm1      7.680 ppm2      2.726 CV     1
 ASSI {  243}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
      5.500     3.800     0.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.73959E-04 ppm1      7.681 ppm2      2.568 CV     1
 OR {  243}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  244}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.800     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.10898E-03 ppm1      7.681 ppm2      2.874 CV     1
 ASSI {  245}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      2.200     0.600     0.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.37445E-02 ppm1      7.681 ppm2      1.795 CV     1
 ASSI {  246}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.100     1.200     1.200 peak   246 spectrum    1 weight  0.10000E+01 volume  0.26814E-02 ppm1      7.680 ppm2      2.216 CV     1
 ASSI {  256}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.500     1.500 peak   256 spectrum    1 weight  0.10000E+01 volume  0.92145E-03 ppm1      8.896 ppm2      8.369 CV     1
 ASSI {  258}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.36061E-02 ppm1      8.898 ppm2      7.938 CV     1
 ASSI {  259}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   259 spectrum    1 weight  0.10000E+01 volume  0.22108E-02 ppm1      8.898 ppm2      4.222 CV     1
 ASSI {  265}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.300     1.400     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.28019E-02 ppm1      8.898 ppm2      2.108 CV     1
 ASSI {  266}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.300     2.300     1.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.63673E-03 ppm1      8.897 ppm2      1.975 CV     1
 ASSI {  274}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.19952E-02 ppm1      7.936 ppm2      4.063 CV     1
 ASSI {  275}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.100     1.200     1.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.30810E-02 ppm1      7.938 ppm2      2.599 CV     1
 ASSI {  277}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.84636E-03 ppm1      7.934 ppm2      8.375 CV     1
 ASSI {  279}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.34551E-03 ppm1      7.933 ppm2      8.774 CV     1
 ASSI {  284}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.22382E-02 ppm1      8.680 ppm2      8.404 CV     1
 ASSI {  286}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      6.000     4.900     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.26676E-03 ppm1      8.680 ppm2      8.072 CV     1
 ASSI {  287}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      5.200     3.400     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.21856E-03 ppm1      8.680 ppm2      6.844 CV     1
 ASSI {  289}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      8.680 ppm2      4.655 CV     1
 ASSI {  291}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      8.680 ppm2      3.926 CV     1
 ASSI {  297}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      4.900     3.000     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.37238E-03 ppm1      8.681 ppm2      2.081 CV     1
 ASSI {  300}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.12780E-02 ppm1      8.681 ppm2      1.166 CV     1
 ASSI {  305}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.600     2.600     1.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.81267E-03 ppm1      7.845 ppm2      8.293 CV     1
 ASSI {  307}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     5.900     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.11589E-03 ppm1      7.838 ppm2      8.881 CV     1
 ASSI {  316}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.45051E-03 ppm1      7.847 ppm2      3.489 CV     1
 ASSI {  317}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.300     1.400     1.400 peak   317 spectrum    1 weight  0.10000E+01 volume  0.39188E-02 ppm1      7.846 ppm2      2.696 CV     1
 ASSI {  319}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.500     1.500     1.500 peak   319 spectrum    1 weight  0.10000E+01 volume  0.26137E-02 ppm1      7.846 ppm2      2.326 CV     1
 ASSI {  320}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.30791E-02 ppm1      7.846 ppm2      2.132 CV     1
 ASSI {  328}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.100     2.100     1.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.28858E-03 ppm1      8.403 ppm2      8.819 CV     1
 ASSI {  330}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.900     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.66903E-04 ppm1      8.402 ppm2      6.452 CV     1
 ASSI {  331}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      5.800     4.200     0.200 peak   331 spectrum    1 weight  0.10000E+01 volume  0.14442E-03 ppm1      8.402 ppm2      6.859 CV     1
 ASSI {  336}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.700     1.700     1.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.42470E-03 ppm1      8.400 ppm2      4.656 CV     1
 ASSI {  338}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      6.000     4.500     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.12181E-03 ppm1      8.401 ppm2      1.176 CV     1
 ASSI {  341}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
      4.400     2.400     1.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.72879E-03 ppm1      8.401 ppm2      1.621 CV     1
 OR {  341}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  343}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.68067E-02 ppm1      8.401 ppm2      2.254 CV     1
 OR {  343}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  344}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     0.800     0.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      8.401 ppm2      2.116 CV     1
 ASSI {  345}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.300     1.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.29196E-02 ppm1      8.401 ppm2      2.734 CV     1
 ASSI {  346}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.13623E-02 ppm1      8.401 ppm2      3.094 CV     1
 ASSI {  350}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.600     4.000     0.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.18553E-03 ppm1      9.222 ppm2      0.700 CV     1
 ASSI {  354}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.19762E-03 ppm1      9.222 ppm2      4.593 CV     1
 ASSI {  355}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      3.700     1.700     1.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.12580E-03 ppm1      9.220 ppm2      6.864 CV     1
 ASSI {  357}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.30765E-02 ppm1      9.222 ppm2      7.729 CV     1
 ASSI {  358}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.57212E-03 ppm1      9.223 ppm2      7.487 CV     1
 ASSI {  360}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.31159E-02 ppm1      9.222 ppm2      8.514 CV     1
 ASSI {  363}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.300     0.600     0.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.10090E-01 ppm1      9.222 ppm2      1.991 CV     1
 OR {  363}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  364}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.600     0.800     0.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.42079E-02 ppm1      9.222 ppm2      2.275 CV     1
 OR {  364}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  365}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.100     3.300     0.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.49148E-03 ppm1      9.220 ppm2      2.667 CV     1
 ASSI {  369}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   369 spectrum    1 weight  0.10000E+01 volume  0.10752E-02 ppm1      6.989 ppm2      4.266 CV     1
 ASSI {  371}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.37177E-02 ppm1      6.987 ppm2      8.055 CV     1
 ASSI {  375}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      5.500     3.800     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.19106E-03 ppm1      6.988 ppm2      3.413 CV     1
 ASSI {  377}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.800     1.000     1.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.71324E-02 ppm1      6.989 ppm2      2.282 CV     1
 ASSI {  382}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.61147E-03 ppm1      8.806 ppm2      7.927 CV     1
 ASSI {  388}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     5.700     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.16027E-03 ppm1      8.808 ppm2      4.686 CV     1
 ASSI {  391}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.000     2.000     2.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.43246E-03 ppm1      8.807 ppm2      3.269 CV     1
 ASSI {  392}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.300     0.600     0.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.32255E-02 ppm1      8.807 ppm2      2.814 CV     1
 ASSI {  394}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.500     1.600     1.600 peak   394 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      8.807 ppm2      2.284 CV     1
 ASSI {  396}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     5.100     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.11081E-03 ppm1      8.807 ppm2      0.280 CV     1
 ASSI {  400}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      4.200     2.200     1.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.45768E-03 ppm1      8.807 ppm2      0.950 CV     1
 OR {  400}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  402}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.28395E-02 ppm1      8.807 ppm2      1.464 CV     1
 ASSI {  406}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.100     1.100 peak   406 spectrum    1 weight  0.10000E+01 volume  0.23932E-02 ppm1      7.742 ppm2      4.112 CV     1
 ASSI {  408}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak   408 spectrum    1 weight  0.10000E+01 volume  0.10714E-02 ppm1      7.744 ppm2      4.214 CV     1
 ASSI {  409}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.80433E-04 ppm1      7.746 ppm2      4.471 CV     1
 ASSI {  414}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.28650E-02 ppm1      7.743 ppm2      8.225 CV     1
 ASSI {  415}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.27839E-02 ppm1      7.743 ppm2      8.809 CV     1
 ASSI {  423}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      5.300     3.500     0.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.23957E-03 ppm1      7.744 ppm2      1.076 CV     1
 ASSI {  424}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.700     2.700     1.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.88488E-03 ppm1      7.741 ppm2      2.250 CV     1
 ASSI {  426}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.200     1.300     1.300 peak   426 spectrum    1 weight  0.10000E+01 volume  0.29808E-02 ppm1      7.742 ppm2      2.450 CV     1
 ASSI {  428}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.600     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      6.352 ppm2      7.492 CV     1
 ASSI {  429}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.43618E-03 ppm1      6.351 ppm2      8.436 CV     1
 ASSI {  433}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.200     1.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.14738E-02 ppm1      6.352 ppm2      4.616 CV     1
 ASSI {  436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.000     0.500     0.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.86855E-02 ppm1      6.352 ppm2      3.528 CV     1
 ASSI {  448}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      1.600     0.300     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.43227E-02 ppm1      7.501 ppm2      8.381 CV     1
 ASSI {  449}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.100     2.100     1.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.80568E-03 ppm1      7.501 ppm2      8.081 CV     1
 ASSI {  451}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.67249E-03 ppm1      7.500 ppm2      6.349 CV     1
 ASSI {  455}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.800     2.900     1.200 peak   455 spectrum    1 weight  0.10000E+01 volume  0.31928E-03 ppm1      7.505 ppm2      2.996 CV     1
 ASSI {  458}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.500     2.500     1.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.74247E-03 ppm1      7.504 ppm2      2.261 CV     1
 ASSI {  460}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      1.900     0.500     0.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.52055E-02 ppm1      7.501 ppm2      1.335 CV     1
 ASSI {  461}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
      4.600     2.600     1.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.16637E-02 ppm1      7.503 ppm2      1.774 CV     1
 ASSI {  462}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.46173E-02 ppm1      7.502 ppm2      2.037 CV     1
 ASSI {  463}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.47327E-03 ppm1      7.499 ppm2      0.624 CV     1
 ASSI {  467}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.800     0.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.29615E-02 ppm1      8.194 ppm2      8.399 CV     1
 ASSI {  468}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.47673E-03 ppm1      8.194 ppm2      9.404 CV     1
 ASSI {  470}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.35754E-02 ppm1      8.197 ppm2      8.637 CV     1
 ASSI {  471}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      3.500     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.84054E-03 ppm1      8.196 ppm2      6.975 CV     1
 ASSI {  474}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.700     0.700 peak   474 spectrum    1 weight  0.10000E+01 volume  0.56142E-02 ppm1      8.190 ppm2      4.672 CV     1
 ASSI {  478}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.400     3.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.10816E-03 ppm1      7.093 ppm2      7.514 CV     1
 ASSI {  481}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.600     2.700     1.400 peak   481 spectrum    1 weight  0.10000E+01 volume  0.13143E-03 ppm1      7.101 ppm2      4.669 CV     1
 ASSI {  482}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.700     2.700     1.300 peak   482 spectrum    1 weight  0.10000E+01 volume  0.25183E-03 ppm1      7.096 ppm2      4.314 CV     1
 ASSI {  485}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      5.600     3.900     0.400 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11119E-03 ppm1      7.098 ppm2      2.731 CV     1
 ASSI {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H2A ))
      5.000     3.100     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.14015E-03 ppm1      7.095 ppm2      2.593 CV     1
 OR {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {  488}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      3.500     1.500     1.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.15750E-02 ppm1      7.095 ppm2      1.961 CV     1
 ASSI {  489}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      2.400     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.37746E-02 ppm1      7.095 ppm2      1.395 CV     1
 OR {  489}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI {  490}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      2.800     1.000     1.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.26377E-02 ppm1      7.095 ppm2      0.843 CV     1
 OR {  490}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  491}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      5.700     4.100     0.300 peak   491 spectrum    1 weight  0.10000E+01 volume  0.14233E-03 ppm1      7.093 ppm2      0.282 CV     1
 ASSI {  492}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      6.000     4.900     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.94864E-04 ppm1      7.097 ppm2      0.408 CV     1
 ASSI {  494}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.28342E-02 ppm1      8.032 ppm2      8.631 CV     1
 ASSI {  495}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.000     2.000     2.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.72927E-03 ppm1      8.041 ppm2      8.257 CV     1
 ASSI {  496}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.600     1.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.54861E-03 ppm1      8.036 ppm2      8.192 CV     1
 ASSI {  504}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.17307E-02 ppm1      8.031 ppm2      3.658 CV     1
 ASSI {  505}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      4.800     2.800     1.200 peak   505 spectrum    1 weight  0.10000E+01 volume  0.43334E-03 ppm1      8.031 ppm2      3.096 CV     1
 OR {  505}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  517}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.400     2.400     1.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.43298E-03 ppm1      7.297 ppm2      1.570 CV     1
 ASSI {  518}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.800     1.800     1.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.96756E-03 ppm1      7.292 ppm2      1.403 CV     1
 ASSI {  519}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.600     1.600     1.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.15563E-02 ppm1      7.291 ppm2      1.792 CV     1
 ASSI {  520}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.100     1.200     1.200 peak   520 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1      7.295 ppm2      2.419 CV     1
 ASSI {  522}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.31741E-02 ppm1      7.291 ppm2      2.730 CV     1
 ASSI {  528}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.54150E-03 ppm1      7.288 ppm2      4.856 CV     1
 ASSI {  531}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak   531 spectrum    1 weight  0.10000E+01 volume  0.18357E-02 ppm1      7.292 ppm2      7.079 CV     1
 ASSI {  532}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   532 spectrum    1 weight  0.10000E+01 volume  0.30190E-02 ppm1      7.292 ppm2      7.498 CV     1
 ASSI {  533}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.200     0.600     0.600 peak   533 spectrum    1 weight  0.10000E+01 volume  0.50111E-02 ppm1      7.292 ppm2      7.690 CV     1
 ASSI {  535}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.24695E-02 ppm1      7.295 ppm2      8.042 CV     1
 ASSI {  536}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      5.500     3.700     0.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.20498E-03 ppm1      7.293 ppm2      8.247 CV     1
 ASSI {  538}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HD21))
      1.700     0.400     0.500 peak   538 spectrum    1 weight  0.10000E+01 volume  0.20716E-01 ppm1      7.738 ppm2      6.991 CV     1
 ASSI {  540}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HA  ))
      4.300     2.400     1.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.29424E-03 ppm1      6.991 ppm2      4.651 CV     1
 ASSI {  546}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      5.300     3.500     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.23004E-03 ppm1      7.729 ppm2      8.527 CV     1
 ASSI {  550}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.14986E-02 ppm1      7.730 ppm2      4.586 CV     1
 ASSI {  552}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      5.200     3.400     0.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.33190E-03 ppm1      7.729 ppm2      4.292 CV     1
 ASSI {  555}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.16177E-02 ppm1      7.729 ppm2      1.981 CV     1
 OR {  555}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  556}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.200     0.600     0.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.15703E-02 ppm1      7.729 ppm2      1.742 CV     1
 ASSI {  558}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.700     1.700     1.700 peak   558 spectrum    1 weight  0.10000E+01 volume  0.14182E-02 ppm1      7.730 ppm2      0.975 CV     1
 ASSI {  566}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak   566 spectrum    1 weight  0.10000E+01 volume  0.21721E-03 ppm1      8.379 ppm2      6.351 CV     1
 ASSI {  568}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.21386E-02 ppm1      8.380 ppm2      4.472 CV     1
 ASSI {  573}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      5.500     3.800     0.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.24160E-03 ppm1      8.382 ppm2      2.266 CV     1
 ASSI {  575}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.33406E-02 ppm1      8.380 ppm2      1.722 CV     1
 OR {  575}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  581}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.100     2.100     1.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.16176E-03 ppm1      8.379 ppm2      0.631 CV     1
 ASSI {  582}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      6.000     4.900     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.14638E-03 ppm1      8.384 ppm2      0.428 CV     1
 ASSI {  583}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.17941E-02 ppm1      7.973 ppm2      8.566 CV     1
 ASSI {  584}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.15773E-02 ppm1      7.974 ppm2      7.681 CV     1
 ASSI {  586}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak   586 spectrum    1 weight  0.10000E+01 volume  0.81467E-03 ppm1      7.972 ppm2      4.576 CV     1
 ASSI {  587}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.900     1.900     1.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.21485E-03 ppm1      7.975 ppm2      4.456 CV     1
 ASSI {  589}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.300     1.300     1.300 peak   589 spectrum    1 weight  0.10000E+01 volume  0.12119E-02 ppm1      7.972 ppm2      2.757 CV     1
 ASSI {  590}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      5.300     3.500     0.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.72766E-03 ppm1      7.972 ppm2      3.837 CV     1
 ASSI {  592}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.300     1.300     1.300 peak   592 spectrum    1 weight  0.10000E+01 volume  0.18452E-02 ppm1      7.972 ppm2      2.421 CV     1
 ASSI {  596}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.47928E-03 ppm1      7.684 ppm2      8.575 CV     1
 ASSI {  597}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.37646E-02 ppm1      7.700 ppm2      8.258 CV     1
 ASSI {  599}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.300     0.600     0.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.50984E-02 ppm1      7.701 ppm2      7.849 CV     1
 ASSI {  602}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak   602 spectrum    1 weight  0.10000E+01 volume  0.35670E-02 ppm1      7.677 ppm2      7.478 CV     1
 ASSI {  607}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.000     2.000     2.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.97325E-03 ppm1      7.676 ppm2      2.425 CV     1
 ASSI {  615}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      4.200     2.200     1.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.21867E-03 ppm1      8.120 ppm2      0.420 CV     1
 ASSI {  617}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.500     3.800     0.500 peak   617 spectrum    1 weight  0.10000E+01 volume  0.99569E-04 ppm1      8.113 ppm2      1.566 CV     1
 ASSI {  621}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      6.000     6.000     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.94331E-04 ppm1      8.120 ppm2      0.909 CV     1
 ASSI {  623}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.96930E-04 ppm1      8.119 ppm2      2.052 CV     1
 ASSI {  625}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.19574E-02 ppm1      8.116 ppm2      3.172 CV     1
 ASSI {  627}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.800     2.900     1.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.29740E-03 ppm1      8.116 ppm2      3.845 CV     1
 ASSI {  629}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.400     1.400 peak   629 spectrum    1 weight  0.10000E+01 volume  0.11337E-02 ppm1      8.116 ppm2      5.210 CV     1
 ASSI {  630}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.25072E-02 ppm1      8.116 ppm2      4.891 CV     1
 ASSI {  633}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     5.100     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.97273E-04 ppm1      8.116 ppm2      7.294 CV     1
 ASSI {  634}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      3.000     1.100     1.100 peak   634 spectrum    1 weight  0.10000E+01 volume  0.25930E-02 ppm1      8.116 ppm2      7.162 CV     1
 ASSI {  635}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      4.700     2.700     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.33122E-03 ppm1      8.115 ppm2      6.966 CV     1
 ASSI {  637}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.14400E-02 ppm1      8.116 ppm2      8.562 CV     1
 ASSI {  645}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   645 spectrum    1 weight  0.10000E+01 volume  0.11353E-02 ppm1      8.275 ppm2      4.628 CV     1
 ASSI {  647}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.79886E-04 ppm1      8.277 ppm2      4.423 CV     1
 ASSI {  649}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      5.800     4.200     0.200 peak   649 spectrum    1 weight  0.10000E+01 volume  0.57784E-04 ppm1      8.276 ppm2      3.611 CV     1
 ASSI {  650}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.100     1.200     1.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.23910E-02 ppm1      8.276 ppm2      2.757 CV     1
 ASSI {  651}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.900     1.100     1.100 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14826E-02 ppm1      8.277 ppm2      3.079 CV     1
 ASSI {  653}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      5.300     3.600     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.33439E-03 ppm1      8.274 ppm2      1.532 CV     1
 ASSI {  654}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
      6.000     5.300     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.80070E-04 ppm1      8.276 ppm2      1.391 CV     1
 ASSI {  656}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     6.000     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.77464E-04 ppm1      8.274 ppm2      2.071 CV     1
 ASSI {  657}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.200     1.300     1.300 peak   657 spectrum    1 weight  0.10000E+01 volume  0.65681E-03 ppm1      8.278 ppm2      1.880 CV     1
 ASSI {  658}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.900     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.13532E-03 ppm1      8.274 ppm2      2.374 CV     1
 OR {  658}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  660}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     5.700     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.98182E-04 ppm1      8.272 ppm2      4.124 CV     1
 ASSI {  661}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     0.700     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.39592E-02 ppm1      7.806 ppm2      8.081 CV     1
 ASSI {  663}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.200     2.200     1.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.54939E-03 ppm1      7.807 ppm2      8.233 CV     1
 ASSI {  668}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.000     2.000     2.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.51059E-03 ppm1      7.806 ppm2      4.838 CV     1
 ASSI {  683}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.33141E-02 ppm1      8.226 ppm2      3.904 CV     1
 ASSI {  687}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.400     2.400     1.600 peak   687 spectrum    1 weight  0.10000E+01 volume  0.80594E-03 ppm1      8.226 ppm2      0.855 CV     1
 ASSI {  689}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.600     2.600     1.400 peak   689 spectrum    1 weight  0.10000E+01 volume  0.44805E-03 ppm1      8.225 ppm2      2.237 CV     1
 ASSI {  690}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.300     2.300     1.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.55408E-03 ppm1      8.226 ppm2      2.428 CV     1
 ASSI {  696}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     5.100     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.11976E-03 ppm1      8.226 ppm2      4.466 CV     1
 ASSI {  699}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.700     2.700     1.300 peak   699 spectrum    1 weight  0.10000E+01 volume  0.18564E-03 ppm1      8.218 ppm2      7.484 CV     1
 ASSI {  701}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.80539E-03 ppm1      8.227 ppm2      8.800 CV     1
 ASSI {  708}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.000     3.100     1.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.34554E-03 ppm1      8.642 ppm2      7.464 CV     1
 ASSI {  709}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.000     3.100     1.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.22559E-03 ppm1      8.645 ppm2      7.697 CV     1
 ASSI {  717}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.200     1.300     1.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.18943E-02 ppm1      8.643 ppm2      1.936 CV     1
 OR {  717}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  719}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      6.000     5.600     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.41849E-04 ppm1      8.647 ppm2      1.359 CV     1
 OR {  719}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI {  721}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      5.600     3.900     0.400 peak   721 spectrum    1 weight  0.10000E+01 volume  0.11637E-03 ppm1      8.640 ppm2      0.290 CV     1
 ASSI {  725}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.800     1.800     1.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.54700E-03 ppm1      8.657 ppm2      7.701 CV     1
 ASSI {  726}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.28855E-02 ppm1      8.654 ppm2      7.473 CV     1
 ASSI {  731}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      6.000     5.100     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.81290E-04 ppm1      8.641 ppm2      7.115 CV     1
 ASSI {  735}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      5.200     3.400     0.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13292E-03 ppm1      8.636 ppm2      4.475 CV     1
 ASSI {  740}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.700     0.900     0.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.46072E-02 ppm1      8.655 ppm2      2.604 CV     1
 ASSI {  741}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.500     0.800     0.800 peak   741 spectrum    1 weight  0.10000E+01 volume  0.37031E-02 ppm1      8.654 ppm2      2.466 CV     1
 ASSI {  743}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      2.400     0.700     0.700 peak   743 spectrum    1 weight  0.10000E+01 volume  0.31530E-02 ppm1      8.638 ppm2      1.573 CV     1
 ASSI {  746}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      2.700     0.900     0.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.16354E-02 ppm1      8.639 ppm2      0.832 CV     1
 OR {  746}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  748}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      6.000     4.600     0.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12486E-03 ppm1      8.638 ppm2      0.403 CV     1
 ASSI {  749}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.200     2.200     1.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.66648E-03 ppm1      7.473 ppm2      0.281 CV     1
 ASSI {  751}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
      2.500     0.800     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.28875E-02 ppm1      7.472 ppm2      1.946 CV     1
 OR {  751}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI {  753}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.900     3.000     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.39553E-03 ppm1      7.472 ppm2      3.196 CV     1
 ASSI {  756}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.400     1.400 peak   756 spectrum    1 weight  0.10000E+01 volume  0.95162E-03 ppm1      7.475 ppm2      4.656 CV     1
 ASSI {  757}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 75   and name HE% )
      5.600     3.900     0.400 peak   757 spectrum    1 weight  0.10000E+01 volume  0.19852E-03 ppm1      7.475 ppm2      6.561 CV     1
 ASSI {  758}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.100     0.500     0.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.82405E-02 ppm1      7.476 ppm2      7.703 CV     1
 ASSI {  761}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak   761 spectrum    1 weight  0.10000E+01 volume  0.21073E-02 ppm1      8.382 ppm2      9.401 CV     1
 ASSI {  763}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      5.200     3.300     0.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.16230E-03 ppm1      8.386 ppm2      6.970 CV     1
 ASSI {  764}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.600     1.600     1.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.96339E-03 ppm1      8.383 ppm2      5.381 CV     1
 ASSI {  766}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.700     1.700     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.35207E-03 ppm1      8.381 ppm2      4.328 CV     1
 ASSI {  767}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      2.800     1.000     1.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.14972E-02 ppm1      8.382 ppm2      3.994 CV     1
 ASSI {  771}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.300     2.300     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.22177E-03 ppm1      8.386 ppm2      3.371 CV     1
 ASSI {  778}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      5.200     3.300     0.800 peak   778 spectrum    1 weight  0.10000E+01 volume  0.18077E-03 ppm1      8.382 ppm2      2.251 CV     1
 ASSI {  779}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.900     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.74040E-04 ppm1      8.381 ppm2      1.910 CV     1
 OR {  779}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  780}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      6.000     5.300     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.57144E-04 ppm1      8.384 ppm2      0.414 CV     1
 ASSI {  781}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.43272E-02 ppm1      8.256 ppm2      8.503 CV     1
 ASSI {  787}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
      5.100     3.200     0.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.21400E-03 ppm1      8.258 ppm2      7.029 CV     1
 ASSI {  788}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      5.200     3.400     0.800 peak   788 spectrum    1 weight  0.10000E+01 volume  0.14953E-03 ppm1      8.263 ppm2      6.801 CV     1
 ASSI {  793}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.400     2.500     1.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.21294E-03 ppm1      8.256 ppm2      3.099 CV     1
 ASSI {  794}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.500     0.800     0.800 peak   794 spectrum    1 weight  0.10000E+01 volume  0.55589E-02 ppm1      8.256 ppm2      2.518 CV     1
 ASSI {  797}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.500     0.800     0.800 peak   797 spectrum    1 weight  0.10000E+01 volume  0.43398E-02 ppm1      8.257 ppm2      1.705 CV     1
 OR {  797}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  799}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.200     2.200     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.56695E-04 ppm1      8.250 ppm2      1.087 CV     1
 ASSI {  800}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      5.400     3.700     0.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.15584E-03 ppm1      8.252 ppm2      0.939 CV     1
 OR {  800}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  803}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11218E-02 ppm1      7.698 ppm2      4.376 CV     1
 ASSI {  805}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.200     1.300     1.300 peak   805 spectrum    1 weight  0.10000E+01 volume  0.99265E-03 ppm1      7.703 ppm2      3.491 CV     1
 ASSI {  811}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.27445E-03 ppm1      8.186 ppm2      8.909 CV     1
 ASSI {  812}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   812 spectrum    1 weight  0.10000E+01 volume  0.34971E-02 ppm1      8.186 ppm2      8.779 CV     1
 ASSI {  813}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      5.100     3.200     0.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.21160E-03 ppm1      8.188 ppm2      8.649 CV     1
 ASSI {  814}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.800     1.200 peak   814 spectrum    1 weight  0.10000E+01 volume  0.14546E-03 ppm1      8.185 ppm2      9.230 CV     1
 ASSI {  815}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.31160E-02 ppm1      8.186 ppm2      7.942 CV     1
 ASSI {  820}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.400     1.400 peak   820 spectrum    1 weight  0.10000E+01 volume  0.80200E-03 ppm1      8.185 ppm2      3.932 CV     1
 ASSI {  824}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
      5.000     3.200     1.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.24051E-03 ppm1      8.186 ppm2      2.870 CV     1
 ASSI {  827}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.100     3.200     0.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.18862E-03 ppm1      8.188 ppm2      3.091 CV     1
 ASSI {  832}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.300     1.300     1.300 peak   832 spectrum    1 weight  0.10000E+01 volume  0.45131E-02 ppm1      8.186 ppm2      1.044 CV     1
 ASSI {  833}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      5.100     3.300     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.24962E-03 ppm1      8.185 ppm2      1.668 CV     1
 ASSI {  835}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.100     1.200     1.200 peak   835 spectrum    1 weight  0.10000E+01 volume  0.34916E-02 ppm1      8.185 ppm2      2.269 CV     1
 ASSI {  838}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
      5.600     4.000     0.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.14536E-03 ppm1      8.781 ppm2      1.958 CV     1
 ASSI {  839}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.400     3.700     0.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.16980E-03 ppm1      8.782 ppm2      3.093 CV     1
 ASSI {  840}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.200     3.400     0.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.27112E-03 ppm1      8.786 ppm2      2.738 CV     1
 ASSI {  842}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.67078E-03 ppm1      8.784 ppm2      4.239 CV     1
 ASSI {  844}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.500     2.500     1.500 peak   844 spectrum    1 weight  0.10000E+01 volume  0.18243E-03 ppm1      8.787 ppm2      3.925 CV     1
 ASSI {  854}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.500     2.600     1.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.83314E-03 ppm1      8.783 ppm2      0.723 CV     1
 ASSI {  856}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.700     1.700     1.700 peak   856 spectrum    1 weight  0.10000E+01 volume  0.22294E-02 ppm1      8.204 ppm2      0.944 CV     1
 ASSI {  857}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.800     1.800     1.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.14196E-02 ppm1      8.204 ppm2      0.763 CV     1
 ASSI {  859}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.000     0.500     0.500 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10402E-01 ppm1      8.205 ppm2      1.620 CV     1
 ASSI {  861}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.600     0.900     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.24312E-02 ppm1      8.204 ppm2      2.254 CV     1
 OR {  861}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  863}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.000     3.200     1.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.31458E-03 ppm1      8.203 ppm2      2.742 CV     1
 ASSI {  864}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   864 spectrum    1 weight  0.10000E+01 volume  0.12462E-02 ppm1      8.205 ppm2      3.582 CV     1
 ASSI {  866}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.900     3.000     1.100 peak   866 spectrum    1 weight  0.10000E+01 volume  0.15366E-03 ppm1      8.211 ppm2      4.670 CV     1
 ASSI {  868}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.300     0.700     0.700 peak   868 spectrum    1 weight  0.10000E+01 volume  0.53697E-02 ppm1      8.205 ppm2      8.433 CV     1
 ASSI {  869}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.62729E-03 ppm1      8.205 ppm2      8.772 CV     1
 ASSI {  870}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.200     1.800 peak   870 spectrum    1 weight  0.10000E+01 volume  0.49797E-03 ppm1      8.204 ppm2      8.663 CV     1
 ASSI {  873}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      4.100     2.100     1.900 peak   873 spectrum    1 weight  0.10000E+01 volume  0.56300E-03 ppm1      8.207 ppm2      1.031 CV     1
 OR {  873}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  874}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.200     1.300     1.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.20092E-02 ppm1      8.465 ppm2      0.946 CV     1
 ASSI {  875}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      5.300     3.600     0.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.29852E-03 ppm1      8.465 ppm2      0.769 CV     1
 ASSI {  878}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.200     3.200     2.800 peak   878 spectrum    1 weight  0.10000E+01 volume  0.32138E-03 ppm1      8.464 ppm2      2.252 CV     1
 ASSI {  882}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   882 spectrum    1 weight  0.10000E+01 volume  0.14383E-02 ppm1      8.465 ppm2      3.922 CV     1
 ASSI {  883}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.300     1.300     1.300 peak   883 spectrum    1 weight  0.10000E+01 volume  0.72054E-03 ppm1      8.462 ppm2      4.816 CV     1
 ASSI {  884}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      5.200     3.400     0.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.17847E-03 ppm1      8.463 ppm2      4.650 CV     1
 ASSI {  885}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     1.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.56818E-03 ppm1      8.464 ppm2      6.451 CV     1
 ASSI {  887}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.35922E-02 ppm1      8.464 ppm2      8.210 CV     1
 ASSI {  888}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.86250E-03 ppm1      8.465 ppm2      8.689 CV     1
 ASSI {  892}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
      3.400     1.400     1.400 peak   892 spectrum    1 weight  0.10000E+01 volume  0.31047E-02 ppm1      8.469 ppm2      1.626 CV     1
 ASSI {  893}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.200     0.600     0.600 peak   893 spectrum    1 weight  0.10000E+01 volume  0.60003E-02 ppm1      7.826 ppm2      8.464 CV     1
 ASSI {  894}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.47521E-03 ppm1      7.825 ppm2      8.677 CV     1
 ASSI {  896}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.51586E-03 ppm1      7.825 ppm2      8.230 CV     1
 ASSI {  898}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   898 spectrum    1 weight  0.10000E+01 volume  0.27063E-02 ppm1      7.825 ppm2      6.450 CV     1
 ASSI {  901}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      6.000     5.400     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.73704E-04 ppm1      7.825 ppm2      6.838 CV     1
 ASSI {  902}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.500     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.92552E-03 ppm1      7.826 ppm2      4.656 CV     1
 ASSI {  903}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.34435E-03 ppm1      7.828 ppm2      4.822 CV     1
 ASSI {  906}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak   906 spectrum    1 weight  0.10000E+01 volume  0.11285E-02 ppm1      7.334 ppm2      4.108 CV     1
 ASSI {  907}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.11464E-02 ppm1      7.334 ppm2      4.278 CV     1
 ASSI {  909}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      5.700     4.000     0.300 peak   909 spectrum    1 weight  0.10000E+01 volume  0.99006E-04 ppm1      7.336 ppm2      3.963 CV     1
 ASSI {  911}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.900     0.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.20091E-02 ppm1      7.334 ppm2      6.983 CV     1
 ASSI {  913}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.60342E-03 ppm1      7.334 ppm2      8.047 CV     1
 ASSI {  914}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.200     1.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.49852E-03 ppm1      7.334 ppm2      7.897 CV     1
 ASSI {  915}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.900     3.000     1.100 peak   915 spectrum    1 weight  0.10000E+01 volume  0.30419E-03 ppm1      7.332 ppm2      7.777 CV     1
 ASSI {  918}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      4.000     2.000     2.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.76420E-03 ppm1      7.334 ppm2      2.371 CV     1
 OR {  918}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI {  921}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.900     1.900     1.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.19574E-02 ppm1      7.334 ppm2      0.951 CV     1
 ASSI {  923}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
      5.900     4.300     0.100 peak   923 spectrum    1 weight  0.10000E+01 volume  0.16981E-03 ppm1      7.335 ppm2      1.371 CV     1
 ASSI {  924}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.100     1.200     1.200 peak   924 spectrum    1 weight  0.10000E+01 volume  0.64601E-03 ppm1      7.334 ppm2      2.067 CV     1
 ASSI {  925}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.900     1.900     1.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.95456E-03 ppm1      7.334 ppm2      1.919 CV     1
 ASSI {  928}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.400     2.500     1.600 peak   928 spectrum    1 weight  0.10000E+01 volume  0.71459E-03 ppm1      7.943 ppm2      1.099 CV     1
 ASSI {  930}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak   930 spectrum    1 weight  0.10000E+01 volume  0.68714E-03 ppm1      7.942 ppm2      3.413 CV     1
 ASSI {  932}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak   932 spectrum    1 weight  0.10000E+01 volume  0.98234E-03 ppm1      7.943 ppm2      3.570 CV     1
 ASSI {  933}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.300     1.400     1.400 peak   933 spectrum    1 weight  0.10000E+01 volume  0.33565E-02 ppm1      6.449 ppm2      0.991 CV     1
 ASSI {  934}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      3.600     1.600     1.600 peak   934 spectrum    1 weight  0.10000E+01 volume  0.14330E-02 ppm1      6.449 ppm2      0.827 CV     1
 ASSI {  935}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.74395E-02 ppm1      6.449 ppm2      1.292 CV     1
 OR {  935}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  936}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      5.200     3.300     0.800 peak   936 spectrum    1 weight  0.10000E+01 volume  0.22534E-03 ppm1      6.450 ppm2      2.242 CV     1
 ASSI {  937}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.400     3.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.20588E-03 ppm1      6.449 ppm2      2.727 CV     1
 ASSI {  938}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.200     3.400     0.800 peak   938 spectrum    1 weight  0.10000E+01 volume  0.52258E-03 ppm1      6.449 ppm2      3.097 CV     1
 ASSI {  941}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      3.400     1.500     1.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.16898E-02 ppm1      6.449 ppm2      4.050 CV     1
 ASSI {  944}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.300     0.700     0.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.26871E-02 ppm1      6.449 ppm2      4.656 CV     1
 ASSI {  948}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      4.700     2.700     1.300 peak   948 spectrum    1 weight  0.10000E+01 volume  0.22697E-03 ppm1      6.449 ppm2      6.873 CV     1
 ASSI {  950}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      5.000     3.100     1.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.56035E-03 ppm1      6.447 ppm2      8.048 CV     1
 ASSI {  952}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.700     2.700     1.300 peak   952 spectrum    1 weight  0.10000E+01 volume  0.31370E-03 ppm1      6.449 ppm2      8.682 CV     1
 ASSI {  958}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.100     2.100     1.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.97073E-03 ppm1      8.517 ppm2      8.051 CV     1
 ASSI {  959}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      3.400     1.500     1.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.91631E-03 ppm1      8.516 ppm2      6.846 CV     1
 ASSI {  960}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      1.900     0.400     0.400 peak   960 spectrum    1 weight  0.10000E+01 volume  0.10002E-01 ppm1      8.516 ppm2      4.290 CV     1
 ASSI {  961}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      5.500     3.800     0.500 peak   961 spectrum    1 weight  0.10000E+01 volume  0.16305E-03 ppm1      8.514 ppm2      4.662 CV     1
 ASSI {  964}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.500     2.500     1.500 peak   964 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      8.516 ppm2      3.085 CV     1
 ASSI {  965}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak   965 spectrum    1 weight  0.10000E+01 volume  0.43786E-03 ppm1      8.516 ppm2      2.727 CV     1
 ASSI {  967}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.400     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.60420E-02 ppm1      8.516 ppm2      2.022 CV     1
 ASSI {  969}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.43631E-02 ppm1      8.516 ppm2      1.715 CV     1
 ASSI {  972}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.100     0.500     0.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.65219E-02 ppm1      7.479 ppm2      7.728 CV     1
 ASSI {  977}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.84323E-04 ppm1      7.477 ppm2      8.510 CV     1
 ASSI {  983}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.200     1.200 peak   983 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      7.479 ppm2      4.032 CV     1
 ASSI {  986}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   986 spectrum    1 weight  0.10000E+01 volume  0.10208E-02 ppm1      7.479 ppm2      2.677 CV     1
 ASSI {  991}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.12234E-02 ppm1      7.480 ppm2      1.673 CV     1
 ASSI {  998}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.500     2.500     1.500 peak   998 spectrum    1 weight  0.10000E+01 volume  0.92410E-03 ppm1      8.449 ppm2      1.317 CV     1
 OR {  998}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI { 1000}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      4.100     2.100     1.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.14440E-02 ppm1      8.449 ppm2      0.891 CV     1
 ASSI { 1001}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.700     1.700     1.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.97551E-03 ppm1      8.449 ppm2      0.788 CV     1
 ASSI { 1002}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.000     2.000     2.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.46703E-03 ppm1      8.449 ppm2      0.635 CV     1
 ASSI { 1003}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.800     2.900     1.200 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.30033E-03 ppm1      8.449 ppm2      2.270 CV     1
 ASSI { 1004}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
      3.800     1.900     1.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.98175E-04 ppm1      8.448 ppm2      3.032 CV     1
 OR { 1004}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
 ASSI { 1007}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.39169E-02 ppm1      8.449 ppm2      4.616 CV     1
 ASSI { 1011}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.900     3.000     1.100 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.24920E-03 ppm1      8.449 ppm2      7.506 CV     1
 ASSI { 1012}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.200     1.200 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.61322E-03 ppm1     10.182 ppm2      2.039 CV     1
 ASSI { 1014}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.500     1.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.14943E-02 ppm1     10.184 ppm2      1.347 CV     1
 ASSI { 1021}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.54354E-03 ppm1     10.181 ppm2      4.898 CV     1
 ASSI { 1022}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.000     3.200     1.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.19848E-03 ppm1     10.181 ppm2      5.218 CV     1
 ASSI { 1023}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.63870E-03 ppm1     10.183 ppm2      7.678 CV     1
 ASSI { 1024}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.74851E-03 ppm1     10.183 ppm2      7.493 CV     1
 ASSI { 1025}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.32462E-03 ppm1     10.182 ppm2      8.134 CV     1
 ASSI { 1029}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      5.400     3.600     0.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.10931E-03 ppm1      8.557 ppm2      7.487 CV     1
 ASSI { 1030}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      5.100     3.300     0.900 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.46473E-03 ppm1      8.561 ppm2      7.161 CV     1
 ASSI { 1031}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HE% )
      6.000     6.000     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.96358E-04 ppm1      8.558 ppm2      6.960 CV     1
 ASSI { 1033}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      5.700     4.000     0.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.12371E-03 ppm1      8.563 ppm2      3.838 CV     1
 ASSI { 1034}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.600     0.800     0.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.17471E-02 ppm1      8.560 ppm2      3.173 CV     1
 ASSI { 1035}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
      5.900     4.300     0.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.13842E-03 ppm1      8.557 ppm2      2.412 CV     1
 OR { 1035}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
 ASSI { 1037}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.26778E-03 ppm1      8.557 ppm2      4.895 CV     1
 ASSI { 1040}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      5.900     4.400     0.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.11213E-03 ppm1      8.554 ppm2      0.935 CV     1
 OR { 1040}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1041}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      6.000     4.900     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.11097E-03 ppm1      7.490 ppm2      0.408 CV     1
 ASSI { 1045}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.15593E-02 ppm1      7.482 ppm2      1.571 CV     1
 ASSI { 1046}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      2.300     0.700     0.700 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.29247E-02 ppm1      7.482 ppm2      1.459 CV     1
 ASSI { 1047}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.300     1.400     1.400 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.24172E-02 ppm1      7.481 ppm2      2.301 CV     1
 ASSI { 1050}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      7.482 ppm2      3.028 CV     1
 ASSI { 1054}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.700     0.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.70848E-04 ppm1      7.483 ppm2      4.884 CV     1
 ASSI { 1057}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.42137E-02 ppm1      8.049 ppm2      1.879 CV     1
 ASSI { 1064}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.700     1.700     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.81613E-03 ppm1      8.040 ppm2      2.304 CV     1
 ASSI { 1066}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      5.200     3.300     0.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.18896E-03 ppm1      8.046 ppm2      3.238 CV     1
 ASSI { 1068}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.100     2.100     1.900 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.74997E-03 ppm1      8.041 ppm2      7.479 CV     1
 ASSI { 1070}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      5.500     3.800     0.500 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.14753E-03 ppm1      8.042 ppm2      7.154 CV     1
 ASSI { 1071}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.300     1.300 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.12580E-02 ppm1      8.044 ppm2      8.273 CV     1
 ASSI { 1073}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.19006E-02 ppm1      8.048 ppm2      8.968 CV     1
 ASSI { 1075}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.600     0.600 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.31453E-02 ppm1      8.048 ppm2      8.388 CV     1
 ASSI { 1076}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     1.500     1.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.17540E-03 ppm1      8.049 ppm2      4.631 CV     1
 ASSI { 1078}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.000     1.200     1.200 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.15873E-02 ppm1      8.048 ppm2      4.114 CV     1
 OR { 1078}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 OR { 1078}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1081}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      6.000     4.900     0.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.22440E-03 ppm1      8.047 ppm2      3.965 CV     1
 ASSI { 1082}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name H28B))
      4.100     2.200     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.30610E-03 ppm1      8.049 ppm2      3.339 CV     1
 ASSI { 1083}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.000     2.000     2.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.65303E-03 ppm1      8.048 ppm2      3.080 CV     1
 ASSI { 1084}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.600     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.36113E-03 ppm1      8.048 ppm2      2.754 CV     1
 ASSI { 1085}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.800     1.000     1.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.53086E-02 ppm1      8.048 ppm2      1.870 CV     1
 ASSI { 1091}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.200     1.200 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.66105E-03 ppm1      8.393 ppm2      8.959 CV     1
 ASSI { 1093}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.600     0.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.13930E-03 ppm1      8.394 ppm2      4.804 CV     1
 ASSI { 1095}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      8.392 ppm2      3.607 CV     1
 ASSI { 1096}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.200     1.300     1.300 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.22447E-02 ppm1      8.392 ppm2      3.968 CV     1
 ASSI { 1098}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.100     2.100     1.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.22472E-03 ppm1      8.392 ppm2      3.087 CV     1
 ASSI { 1099}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      5.900     4.400     0.100 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.33591E-03 ppm1      8.393 ppm2      2.752 CV     1
 ASSI { 1100}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
      5.600     4.000     0.400 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.32685E-03 ppm1      8.393 ppm2      2.371 CV     1
 OR { 1100}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1102}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.14319E-02 ppm1      8.393 ppm2      1.625 CV     1
 ASSI { 1104}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      6.000     5.200     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.84947E-04 ppm1      8.392 ppm2      1.115 CV     1
 ASSI { 1105}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     5.200     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.61836E-04 ppm1      8.392 ppm2      2.077 CV     1
 ASSI { 1106}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      5.100     3.200     0.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.18848E-03 ppm1      8.393 ppm2      6.994 CV     1
 ASSI { 1107}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.900     3.000     1.100 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.28040E-03 ppm1      8.394 ppm2      7.332 CV     1
 ASSI { 1113}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.21971E-02 ppm1      8.318 ppm2      7.334 CV     1
 ASSI { 1115}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.700     2.800     1.300 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.20762E-03 ppm1      8.320 ppm2      6.993 CV     1
 ASSI { 1116}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.64481E-03 ppm1      8.317 ppm2      3.600 CV     1
 ASSI { 1117}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.92051E-03 ppm1      8.318 ppm2      4.271 CV     1
 ASSI { 1118}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.32160E-02 ppm1      8.319 ppm2      4.109 CV     1
 ASSI { 1119}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.700     1.700     1.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.93855E-03 ppm1      8.317 ppm2      3.964 CV     1
 ASSI { 1120}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.400     0.700     0.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.34260E-02 ppm1      8.318 ppm2      2.069 CV     1
 ASSI { 1121}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.600     0.800     0.800 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.22358E-02 ppm1      8.318 ppm2      1.919 CV     1
 ASSI { 1124}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.800     1.800     1.800 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.27371E-02 ppm1      8.318 ppm2      2.373 CV     1
 OR { 1124}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 1126}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      4.800     2.900     1.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.44087E-03 ppm1      8.317 ppm2      1.112 CV     1
 ASSI { 1137}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.300     2.300     1.700 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.34525E-03 ppm1      7.944 ppm2      6.990 CV     1
 ASSI { 1140}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.000     2.000     2.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.56575E-03 ppm1      7.787 ppm2      8.828 CV     1
 ASSI { 1148}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.23962E-02 ppm1      7.787 ppm2      3.914 CV     1
 ASSI { 1150}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.200     2.200     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.40375E-03 ppm1      7.792 ppm2      3.574 CV     1
 ASSI { 1151}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      5.000     3.100     1.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.14239E-03 ppm1      7.791 ppm2      3.416 CV     1
 ASSI { 1159}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.49345E-02 ppm1      7.919 ppm2      8.817 CV     1
 ASSI { 1161}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.22057E-02 ppm1      7.920 ppm2      7.773 CV     1
 ASSI { 1164}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.34583E-03 ppm1      7.919 ppm2      4.056 CV     1
 ASSI { 1167}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.10133E-02 ppm1      7.919 ppm2      3.415 CV     1
 ASSI { 1168}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.500     2.500     1.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.25456E-03 ppm1      7.921 ppm2      3.276 CV     1
 ASSI { 1172}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      5.100     3.300     0.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.24962E-03 ppm1      7.924 ppm2      2.194 CV     1
 ASSI { 1173}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.41025E-02 ppm1      7.919 ppm2      2.050 CV     1
 ASSI { 1185}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.300     2.300     1.700 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.46535E-03 ppm1      8.820 ppm2      8.247 CV     1
 ASSI { 1187}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.51831E-03 ppm1      8.822 ppm2      7.765 CV     1
 ASSI { 1188}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      6.000     4.400     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.11961E-03 ppm1      8.820 ppm2      7.122 CV     1
 ASSI { 1189}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.700     1.700     1.700 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.40711E-03 ppm1      8.821 ppm2      3.415 CV     1
 ASSI { 1190}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.300     1.300 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.99954E-03 ppm1      8.822 ppm2      3.281 CV     1
 ASSI { 1191}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.900     3.100     1.100 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.22751E-03 ppm1      8.822 ppm2      2.823 CV     1
 ASSI { 1192}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.900     4.300     0.100 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.30342E-03 ppm1      8.823 ppm2      2.453 CV     1
 ASSI { 1193}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.700     4.000     0.300 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25840E-03 ppm1      8.821 ppm2      2.274 CV     1
 ASSI { 1199}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      2.800     1.000     1.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.18364E-02 ppm1      8.078 ppm2      7.459 CV     1
 ASSI { 1201}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      5.200     3.400     0.800 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.18816E-03 ppm1      8.080 ppm2      7.122 CV     1
 ASSI { 1204}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.12114E-02 ppm1      8.078 ppm2      4.834 CV     1
 ASSI { 1205}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      5.600     3.900     0.400 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.44359E-03 ppm1      8.078 ppm2      4.467 CV     1
 ASSI { 1208}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.500     0.800     0.800 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.25633E-02 ppm1      8.077 ppm2      2.723 CV     1
 ASSI { 1209}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      5.400     3.700     0.600 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.14726E-03 ppm1      8.078 ppm2      2.103 CV     1
 ASSI { 1210}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.500     1.500     1.500 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.18069E-02 ppm1      8.078 ppm2      1.069 CV     1
 ASSI { 1217}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.65212E-03 ppm1      7.850 ppm2      8.083 CV     1
 ASSI { 1218}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.800     2.800     1.200 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.28691E-03 ppm1      7.847 ppm2      8.794 CV     1
 ASSI { 1221}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.300     2.300     1.700 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.39308E-03 ppm1      7.849 ppm2      3.255 CV     1
 ASSI { 1222}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.27831E-03 ppm1      7.849 ppm2      2.730 CV     1
 ASSI { 1223}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.000     2.000     2.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.58842E-03 ppm1      7.849 ppm2      2.517 CV     1
 ASSI { 1225}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.200     3.400     0.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.12625E-03 ppm1      7.846 ppm2      3.435 CV     1
 ASSI { 1226}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.200     1.200     1.200 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.12026E-02 ppm1      7.849 ppm2      4.668 CV     1
 ASSI { 1227}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.30941E-02 ppm1      7.848 ppm2      4.471 CV     1
 ASSI { 1228}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.24054E-02 ppm1      7.849 ppm2      4.173 CV     1
 ASSI { 1233}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.39667E-02 ppm1      9.852 ppm2      1.681 CV     1
 ASSI { 1234}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      2.400     0.700     0.700 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.15914E-02 ppm1      9.852 ppm2      1.552 CV     1
 ASSI { 1235}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      4.000     2.000     2.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.46166E-03 ppm1      9.853 ppm2      1.340 CV     1
 ASSI { 1236}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.900     3.000     1.100 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.27181E-03 ppm1      9.854 ppm2      2.460 CV     1
 ASSI { 1237}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.200     0.600     0.600 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.13523E-02 ppm1      9.852 ppm2      2.290 CV     1
 ASSI { 1238}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.900     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.20746E-03 ppm1      9.851 ppm2      2.098 CV     1
 ASSI { 1240}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HE1 ))
      5.800     4.200     0.200 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.10861E-03 ppm1      9.862 ppm2      2.933 CV     1
 OR { 1240}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HE2 ))
 ASSI { 1241}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.100     2.100     1.900 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.78939E-03 ppm1      9.851 ppm2      2.816 CV     1
 ASSI { 1242}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.27231E-03 ppm1      9.856 ppm2      8.190 CV     1
 ASSI { 1243}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 75   and name HE% )
      6.000     4.600     0.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.17250E-03 ppm1      9.856 ppm2      6.547 CV     1
 ASSI { 1244}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.35557E-02 ppm1      9.853 ppm2      4.693 CV     1
 ASSI { 1245}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.67983E-03 ppm1      9.851 ppm2      4.460 CV     1
 ASSI { 1246}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      4.400     2.400     1.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.25212E-03 ppm1      9.851 ppm2      3.793 CV     1
 OR { 1246}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1247}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.98483E-03 ppm1      9.853 ppm2      0.279 CV     1
 ASSI { 1249}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.500     0.800     0.800 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.41510E-02 ppm1      8.569 ppm2      8.339 CV     1
 ASSI { 1250}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      4.300     2.300     1.700 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.20658E-03 ppm1      8.566 ppm2      5.374 CV     1
 ASSI { 1254}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.300     1.400     1.400 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.26679E-02 ppm1      8.566 ppm2      2.049 CV     1
 OR { 1254}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1259}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.16417E-02 ppm1      8.132 ppm2      9.400 CV     1
 ASSI { 1261}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.600     2.600     1.400 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.31572E-03 ppm1      8.133 ppm2      7.510 CV     1
 ASSI { 1262}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.500     2.500     1.500 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.12353E-03 ppm1      8.134 ppm2      7.174 CV     1
 ASSI { 1264}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      5.800     4.200     0.200 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.14371E-03 ppm1      8.133 ppm2      5.364 CV     1
 ASSI { 1266}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.45280E-03 ppm1      8.131 ppm2      4.890 CV     1
 ASSI { 1270}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      2.400     0.700     0.700 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.59993E-02 ppm1      8.132 ppm2      0.423 CV     1
 ASSI { 1273}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.800     2.900     1.200 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.13620E-03 ppm1      8.135 ppm2      1.353 CV     1
 ASSI { 1275}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.900     3.000     1.100 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.13959E-03 ppm1      9.398 ppm2      8.620 CV     1
 ASSI { 1278}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      5.000     3.100     1.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.35809E-03 ppm1      9.402 ppm2      7.506 CV     1
 ASSI { 1279}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      5.200     3.400     0.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.20707E-03 ppm1      9.402 ppm2      5.386 CV     1
 ASSI { 1280}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.200     3.300     0.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.24842E-03 ppm1      9.403 ppm2      5.216 CV     1
 ASSI { 1281}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.900     3.000     1.100 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.27344E-03 ppm1      9.402 ppm2      4.476 CV     1
 ASSI { 1283}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      5.100     3.300     0.900 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.16337E-03 ppm1      9.402 ppm2      4.172 CV     1
 ASSI { 1289}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      2.800     1.000     1.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.29694E-02 ppm1      9.403 ppm2      2.261 CV     1
 ASSI { 1291}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
      4.000     2.000     2.000 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.58467E-03 ppm1      9.403 ppm2      1.728 CV     1
 OR { 1291}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1292}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.900     3.000     1.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.15420E-03 ppm1      9.401 ppm2      1.568 CV     1
 ASSI { 1301}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.200     2.200     1.800 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.72743E-03 ppm1      8.198 ppm2      3.657 CV     1
 ASSI { 1302}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.200     1.300     1.300 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.84355E-03 ppm1      8.197 ppm2      3.378 CV     1
 ASSI { 1303}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.100     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.23817E-02 ppm1      8.197 ppm2      3.083 CV     1
 ASSI { 1305}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.000     1.100     1.100 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.41726E-02 ppm1      8.190 ppm2      1.997 CV     1
 ASSI { 1306}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.700     1.700     1.700 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.13762E-02 ppm1      8.190 ppm2      1.350 CV     1
 OR { 1306}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 1307}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      2.800     1.000     1.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.31602E-02 ppm1      8.190 ppm2      0.931 CV     1
 OR { 1307}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1311}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      4.200     2.200     1.800 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.84061E-03 ppm1      8.193 ppm2      0.400 CV     1
 ASSI { 1315}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.000     1.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.34299E-02 ppm1      7.925 ppm2      8.529 CV     1
 ASSI { 1316}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      4.300     2.400     1.700 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.90910E-03 ppm1      7.924 ppm2      6.808 CV     1
 ASSI { 1317}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.600     1.400 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.35052E-03 ppm1      7.923 ppm2      4.484 CV     1
 ASSI { 1320}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.31450E-02 ppm1      7.924 ppm2      1.954 CV     1
 ASSI { 1325}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.400     0.700     0.700 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.23767E-02 ppm1      8.542 ppm2      7.929 CV     1
 ASSI { 1327}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.90683E-03 ppm1      8.503 ppm2      7.695 CV     1
 ASSI { 1328}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HE% )
      5.700     4.100     0.300 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.18518E-03 ppm1      8.543 ppm2      6.548 CV     1
 ASSI { 1329}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      3.400     1.500     1.500 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.89176E-03 ppm1      8.543 ppm2      6.807 CV     1
 ASSI { 1338}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      3.500     1.500     1.500 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.26305E-02 ppm1      8.505 ppm2      1.613 CV     1
 ASSI { 1346}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      3.800     1.800     1.800 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.73972E-03 ppm1      8.317 ppm2      0.941 CV     1
 OR { 1346}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1349}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.600     2.600     1.400 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.65474E-03 ppm1      8.318 ppm2      2.571 CV     1
 ASSI { 1350}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.800     1.000     1.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.26764E-02 ppm1      8.317 ppm2      2.325 CV     1
 ASSI { 1351}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.800     1.800     1.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      8.317 ppm2      2.132 CV     1
 ASSI { 1352}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      4.800     2.900     1.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.10774E-03 ppm1      8.317 ppm2      1.985 CV     1
 ASSI { 1353}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.400     2.400     1.600 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.29196E-03 ppm1      8.317 ppm2      3.249 CV     1
 ASSI { 1356}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.600     2.700     1.400 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.14727E-03 ppm1      8.316 ppm2      4.676 CV     1
 ASSI { 1359}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      3.200     3.200     2.800 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.32124E-03 ppm1      8.316 ppm2      7.720 CV     1
 ASSI { 1361}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.500     1.500 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.46043E-03 ppm1      8.968 ppm2      8.275 CV     1
 ASSI { 1364}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.200     1.200 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.36553E-02 ppm1      8.968 ppm2      4.630 CV     1
 ASSI { 1366}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.900     1.900     1.900 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.23109E-02 ppm1      8.967 ppm2      2.756 CV     1
 ASSI { 1367}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      5.900     4.300     0.100 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.76830E-04 ppm1      8.969 ppm2      2.066 CV     1
 ASSI { 1369}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.600     2.600     1.400 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.16428E-03 ppm1      8.969 ppm2      1.257 CV     1
 ASSI { 1373}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 56   and name HG2%)
      3.000     3.000     3.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.40019E-03 ppm1      7.711 ppm2      0.953 CV     1
 OR { 1373}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 1374}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 56   and name HG2%)
      3.300     3.300     2.700 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.23531E-03 ppm1      7.655 ppm2      0.953 CV     1
 ASSI { 1376}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 77   and name HD1%)
      3.500     1.500     1.500 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.16882E-02 ppm1      7.656 ppm2      0.810 CV     1
 ASSI { 1383}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB2 ))
      5.600     4.000     0.400 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.17241E-03 ppm1      7.655 ppm2      2.123 CV     1
 ASSI { 1384}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB1 ))
      4.600     2.600     1.400 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.48071E-03 ppm1      7.714 ppm2      2.324 CV     1
 OR { 1384}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1385}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB1 ))
      5.000     3.100     1.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.31045E-03 ppm1      7.657 ppm2      2.325 CV     1
 ASSI { 1386}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.26550E-02 ppm1      7.712 ppm2      2.697 CV     1
 OR { 1386}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1387}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG1 ))
      3.000     1.100     1.100 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.11601E-02 ppm1      7.656 ppm2      2.698 CV     1
 ASSI { 1388}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG2 ))
      2.500     0.800     0.800 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.16479E-02 ppm1      7.712 ppm2      2.582 CV     1
 OR { 1388}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 1389}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.73904E-03 ppm1      7.655 ppm2      2.580 CV     1
 ASSI { 1390}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 54   and name HB1 ))
      4.200     2.200     1.800 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.20419E-03 ppm1      7.716 ppm2      3.428 CV     1
 ASSI { 1391}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 54   and name HB1 ))
      5.500     3.800     0.500 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.15306E-03 ppm1      7.657 ppm2      3.431 CV     1
 ASSI { 1392}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 1    and name HA  ))
      3.800     1.800     1.800 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.10984E-03 ppm1      7.712 ppm2      4.025 CV     1
 ASSI { 1393}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 1    and name HA  ))
      4.800     2.900     1.200 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.23582E-03 ppm1      7.658 ppm2      4.022 CV     1
 ASSI { 1394}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.19984E-02 ppm1      7.712 ppm2      3.878 CV     1
 ASSI { 1395}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HA  ))
      2.200     0.600     0.600 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.11147E-02 ppm1      7.657 ppm2      3.877 CV     1
 ASSI { 1399}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HN  ))
      3.000     3.000     3.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.43764E-03 ppm1      7.710 ppm2      7.862 CV     1
 ASSI { 1400}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 78   and name HN  ))
      2.800     2.800     3.200 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.61742E-03 ppm1      7.712 ppm2      8.271 CV     1
 ASSI { 1401}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 78   and name HN  ))
      4.400     2.400     1.600 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.42512E-03 ppm1      7.657 ppm2      8.248 CV     1
 ASSI { 1402}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.500     1.500 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.18545E-03 ppm1      7.658 ppm2      8.547 CV     1
 OR { 1402}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1403}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.500     1.500 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.23123E-03 ppm1      7.711 ppm2      8.543 CV     1
 OR { 1403}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 77   and name HN  ))
 OR { 1403}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HN  ))
 OR { 1403}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1404}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 2    and name HN  ))
      4.300     2.400     1.700 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.52789E-03 ppm1      7.711 ppm2      8.853 CV     1
 ASSI { 1405}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 2    and name HN  ))
      3.100     1.200     1.200 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.93309E-03 ppm1      7.657 ppm2      8.851 CV     1
 ASSI { 1406}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.800     4.200     0.200 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.27180E-03 ppm1      8.384 ppm2      0.792 CV     1
 ASSI {    1}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H37B))
      2.300     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.47699E-02 ppm1      2.432 ppm2      3.546 CV     1
 OR {    1}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H37B))
 ASSI {    2}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H37A))
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.47919E-02 ppm1      2.433 ppm2      3.386 CV     1
 OR {    2}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H37A))
 ASSI {    5}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H3A ))
      2.400     0.700     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.36637E-02 ppm1      2.566 ppm2      3.957 CV     1
 OR {    5}
   (( segid "    " and resid 40   and name H2B ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI {    6}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H3A ))
      4.600     2.600     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.35389E-03 ppm1      0.395 ppm2      3.956 CV     1
 ASSI {    7}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H3A ))
      5.100     3.300     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.63647E-03 ppm1      1.377 ppm2      3.963 CV     1
 ASSI {    9}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
      3.300     1.400     1.400 peak     9 spectrum    1 weight  0.10000E+01 volume  0.14759E-02 ppm1      4.093 ppm2      2.564 CV     1
 OR {    9}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   11}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H2B ))
      4.300     2.300     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.10899E-02 ppm1      3.242 ppm2      2.566 CV     1
 OR {   11}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   14}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H2A ))
      4.700     2.800     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.78835E-03 ppm1      3.185 ppm2      2.566 CV     1
 OR {   14}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   17}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 40   and name H2B ))
      5.600     3.900     0.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.42606E-03 ppm1      2.206 ppm2      2.566 CV     1
 OR {   17}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   18}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H2B ))
      3.400     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.61316E-03 ppm1      2.364 ppm2      2.564 CV     1
 OR {   18}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   18}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 40   and name H2A ))
 OR {   18}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   19}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H2B ))
      4.900     2.900     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.73345E-03 ppm1      2.063 ppm2      2.564 CV     1
 OR {   19}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   20}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H2B ))
      4.800     2.800     1.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.10759E-02 ppm1      1.927 ppm2      2.564 CV     1
 OR {   20}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   22}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H2B ))
      5.000     3.100     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.10849E-02 ppm1      1.263 ppm2      2.565 CV     1
 OR {   22}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   24}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H2A ))
      4.700     2.800     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.27780E-03 ppm1      0.390 ppm2      2.564 CV     1
 ASSI {   25}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2B ))
      5.000     3.100     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.55860E-03 ppm1      7.164 ppm2      2.565 CV     1
 OR {   25}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   29}
   (( segid "    " and resid 40   and name H4A ))
   (( segid "    " and resid 40   and name H2A ))
      2.500     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.80339E-02 ppm1      1.051 ppm2      2.565 CV     1
 OR {   29}
   (( segid "    " and resid 40   and name H4B ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   29}
   (( segid "    " and resid 40   and name H4A ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   29}
   (( segid "    " and resid 40   and name H4B ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   30}
   (( segid "    " and resid 40   and name H5B ))
   (( segid "    " and resid 40   and name H2B ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.68824E-02 ppm1      0.882 ppm2      2.565 CV     1
 OR {   30}
   (( segid "    " and resid 40   and name H5A ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   30}
   (( segid "    " and resid 40   and name H5B ))
   (( segid "    " and resid 40   and name H2A ))
 OR {   30}
   (( segid "    " and resid 40   and name H5A ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   31}
   (( segid "    " and resid 40   and name H7A ))
   (( segid "    " and resid 40   and name H2A ))
      5.000     3.100     1.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.70140E-03 ppm1      0.751 ppm2      2.564 CV     1
 OR {   31}
   (( segid "    " and resid 40   and name H7A ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   31}
   (( segid "    " and resid 40   and name H7B ))
   (( segid "    " and resid 40   and name H2A ))
 OR {   31}
   (( segid "    " and resid 40   and name H7B ))
   (( segid "    " and resid 40   and name H2B ))
 ASSI {   33}
   (( segid "    " and resid 40   and name H6B ))
   (( segid "    " and resid 40   and name H2B ))
      4.500     2.600     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.90373E-03 ppm1      0.604 ppm2      2.564 CV     1
 OR {   33}
   (( segid "    " and resid 40   and name H6B ))
   (( segid "    " and resid 40   and name H2A ))
 OR {   33}
   (( segid "    " and resid 40   and name H6A ))
   (( segid "    " and resid 40   and name H2B ))
 OR {   33}
   (( segid "    " and resid 40   and name H6A ))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   34}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H4B ))
      3.400     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.57723E-03 ppm1      7.160 ppm2      1.047 CV     1
 OR {   34}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H4A ))
 ASSI {   35}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 40   and name H8% )
      4.100     2.100     1.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.84125E-03 ppm1      6.853 ppm2      0.563 CV     1
 ASSI {   36}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 40   and name H8% )
      4.500     2.600     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.67799E-03 ppm1      6.969 ppm2      0.562 CV     1
 ASSI {   37}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.26368E-02 ppm1      3.268 ppm2      0.562 CV     1
 ASSI {   41}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.600     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.36837E-02 ppm1      1.559 ppm2      0.562 CV     1
 ASSI {   42}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.42774E-02 ppm1      1.456 ppm2      0.562 CV     1
 ASSI {   43}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H6A ))
      3.800     1.800     1.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.10696E-02 ppm1      0.393 ppm2      0.603 CV     1
 OR {   43}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H6B ))
 ASSI {   44}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H6A ))
      5.100     3.200     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.76549E-03 ppm1      0.277 ppm2      0.601 CV     1
 OR {   44}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H6B ))
 ASSI {   45}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 40   and name H8% )
      4.000     2.000     2.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.69283E-03 ppm1      0.280 ppm2      0.565 CV     1
 ASSI {   46}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 40   and name H8% )
      3.600     1.700     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.75809E-03 ppm1      0.384 ppm2      0.559 CV     1
 ASSI {   47}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6A ))
      4.100     2.100     1.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.27834E-03 ppm1      6.969 ppm2      0.609 CV     1
 OR {   47}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6B ))
 ASSI {   49}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H7B ))
      4.600     2.600     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.33186E-03 ppm1      6.969 ppm2      0.758 CV     1
 OR {   49}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H7A ))
 ASSI {   50}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H7B ))
      4.500     2.500     1.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.31804E-03 ppm1      6.855 ppm2      0.765 CV     1
 OR {   50}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI {   51}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
      4.200     2.200     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.50939E-03 ppm1      6.968 ppm2      0.897 CV     1
 OR {   51}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
 ASSI {   52}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H5A ))
      4.500     2.600     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.46392E-03 ppm1      6.852 ppm2      0.901 CV     1
 OR {   52}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H5B ))
 ASSI {   53}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
      3.800     1.800     1.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.42667E-03 ppm1      6.967 ppm2      1.045 CV     1
 OR {   53}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
 ASSI {   54}
   (( segid "    " and resid 40   and name H6A ))
   (( segid "    " and resid 40   and name H3A ))
      5.100     3.200     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.59967E-03 ppm1      0.604 ppm2      3.958 CV     1
 OR {   54}
   (( segid "    " and resid 40   and name H6B ))
   (( segid "    " and resid 40   and name H3A ))
 ASSI {   55}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H38A))
      5.500     3.800     0.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      3.245 ppm2      2.432 CV     1
 OR {   55}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H38B))
 ASSI {   56}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
      3.700     1.800     1.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.25373E-03 ppm1      1.262 ppm2      2.435 CV     1
 OR {   56}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
 ASSI {   57}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H38A))
      5.300     3.400     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.23276E-03 ppm1      1.386 ppm2      2.432 CV     1
 ASSI {   58}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H38B))
      4.800     2.900     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.19646E-02 ppm1      0.862 ppm2      2.431 CV     1
 OR {   58}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H38B))
 OR {   58}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H38A))
 OR {   58}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H38A))
 ASSI {   59}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H43A))
      5.000     3.100     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.40113E-03 ppm1      1.383 ppm2      2.896 CV     1
 ASSI {   61}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      6.000     5.000     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.37979E-03 ppm1      1.254 ppm2      2.896 CV     1
 OR {   61}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
 ASSI {   62}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H43A))
      4.500     2.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.31018E-02 ppm1      0.858 ppm2      2.896 CV     1
 OR {   62}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H43A))
 OR {   62}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H43B))
 OR {   62}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H43B))
 ASSI {   63}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
      3.500     1.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.96584E-03 ppm1      4.092 ppm2      2.898 CV     1
 OR {   63}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 40   and name H43A))
 ASSI {   64}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H32A))
      5.300     3.500     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.85037E-03 ppm1      2.429 ppm2      3.998 CV     1
 OR {   64}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H32A))
 ASSI {   65}
   (( segid "    " and resid 40   and name H28B))
   (( segid "    " and resid 40   and name H32A))
      3.200     1.300     1.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.30679E-02 ppm1      3.336 ppm2      3.998 CV     1
 ASSI {   66}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H32A))
      4.800     2.900     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.84856E-03 ppm1      3.542 ppm2      3.998 CV     1
 ASSI {   67}
   (( segid "    " and resid 40   and name H28A))
   (( segid "    " and resid 40   and name H32A))
      3.500     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.38030E-02 ppm1      3.723 ppm2      3.998 CV     1
 ASSI {   68}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H32A))
      4.300     2.400     1.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.12982E-02 ppm1      3.392 ppm2      3.999 CV     1
 ASSI {   69}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H43A))
      3.000     1.200     1.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.19456E-02 ppm1      8.242 ppm2      2.897 CV     1
 OR {   69}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H43B))
 ASSI {   70}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H38A))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.13215E-01 ppm1      8.242 ppm2      2.432 CV     1
 OR {   70}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H38B))
 ASSI {   71}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H38B))
      2.700     0.900     0.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.34512E-02 ppm1      8.041 ppm2      2.432 CV     1
 OR {   71}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H38A))
 ASSI {   72}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H32A))
      2.300     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.19116E-01 ppm1      0.866 ppm2      3.998 CV     1
 OR {   72}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H32A))
 ASSI {   76}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H28A))
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.12923E-01 ppm1      0.868 ppm2      3.723 CV     1
 OR {   76}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H28A))
 ASSI {   77}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H28B))
      2.900     1.100     1.100 peak    77 spectrum    1 weight  0.10000E+01 volume  0.87081E-02 ppm1      0.866 ppm2      3.335 CV     1
 OR {   77}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H28B))
 ASSI {   79}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42A))
      3.200     3.200     2.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.27882E-03 ppm1      1.380 ppm2      3.257 CV     1
 OR {   79}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42B))
 ASSI {   80}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.22511E-03 ppm1      1.252 ppm2      3.263 CV     1
 OR {   80}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
 ASSI {   82}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 40   and name H8% )
      6.000     4.600     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.26562E-03 ppm1      7.153 ppm2      0.564 CV     1
 ASSI {   83}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H2B ))
      4.400     2.400     1.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.49332E-03 ppm1      8.245 ppm2      2.566 CV     1
 OR {   83}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H2A ))
 ASSI {   85}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H41A))
      4.000     2.000     2.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10942E-02 ppm1      3.544 ppm2      8.239 CV     1
 ASSI {   86}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H41A))
      2.100     0.500     0.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      3.387 ppm2      8.240 CV     1
 ASSI {   87}
   (( segid "    " and resid 40   and name H41A))
   (( segid "    " and resid 40   and name H32A))
      5.400     3.700     0.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.61283E-03 ppm1      8.241 ppm2      3.997 CV     1
 ASSI {   89}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H32A))
      1.800     0.200     0.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.20495E-01 ppm1      8.040 ppm2      3.998 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1 -17.691  -2.711  -0.239
    2    H2   ALA   1           HT2      ALA   1 -18.274  -2.689   1.361
    3    H3   ALA   1           HT3      ALA   1 -18.151  -4.140   0.502
    4    HA   ALA   1           HA       ALA   1 -15.828  -2.429   1.146
    5    HB1  ALA   1           HB1      ALA   1 -16.781  -3.391   3.197
    6    HB2  ALA   1           HB2      ALA   1 -15.226  -4.127   2.801
    7    HB3  ALA   1           HB3      ALA   1 -16.726  -4.995   2.467
    8    H    ALA   2           HN       ALA   2 -13.886  -4.215   1.172
    9    HA   ALA   2           HA       ALA   2 -14.245  -5.781  -1.248
   10    HB1  ALA   2           HB1      ALA   2 -12.974  -3.772  -1.834
   11    HB2  ALA   2           HB2      ALA   2 -11.955  -5.210  -1.915
   12    HB3  ALA   2           HB3      ALA   2 -11.827  -4.114  -0.540
   13    H    THR   3           HN       THR   3 -12.220  -7.280  -1.346
   14    HA   THR   3           HA       THR   3 -12.347  -8.800   1.092
   15    HB   THR   3           HB       THR   3 -10.577  -9.485  -1.213
   16    HG1  THR   3           HG1      THR   3 -12.237  -8.889  -2.457
   17   HG21  THR   3          HG21      THR   3 -10.888 -10.960   0.686
   18   HG22  THR   3          HG22      THR   3 -11.591 -11.682  -0.777
   19   HG23  THR   3          HG23      THR   3 -12.628 -10.905   0.434
   20    H    GLN   4           HN       GLN   4 -10.744  -8.590   2.669
   21    HA   GLN   4           HA       GLN   4  -8.881  -6.503   2.684
   22    HB2  GLN   4           HB2      GLN   4  -8.717  -9.078   4.233
   23    HB3  GLN   4           HB1      GLN   4  -7.796  -7.630   4.573
   24    HG2  GLN   4           HG2      GLN   4  -9.876  -6.448   5.084
   25    HG3  GLN   4           HG1      GLN   4 -10.773  -7.919   4.730
   26   HE21  GLN   4          HE21      GLN   4  -8.714  -9.671   5.852
   27   HE22  GLN   4          HE22      GLN   4  -8.876  -9.551   7.561
   28    H    GLU   5           HN       GLU   5  -8.490  -9.808   1.862
   29    HA   GLU   5           HA       GLU   5  -5.637  -9.774   1.614
   30    HB2  GLU   5           HB2      GLU   5  -7.685 -11.794   0.688
   31    HB3  GLU   5           HB1      GLU   5  -5.953 -12.023   0.532
   32    HG2  GLU   5           HG2      GLU   5  -6.850 -13.234   2.421
   33    HG3  GLU   5           HG1      GLU   5  -5.720 -11.991   2.983
   34    H    GLU   6           HN       GLU   6  -8.258  -9.148  -0.445
   35    HA   GLU   6           HA       GLU   6  -6.880  -9.231  -2.954
   36    HB2  GLU   6           HB2      GLU   6  -9.285  -9.596  -2.787
   37    HB3  GLU   6           HB1      GLU   6  -9.462  -8.059  -1.966
   38    HG2  GLU   6           HG2      GLU   6  -8.933  -6.888  -4.010
   39    HG3  GLU   6           HG1      GLU   6  -8.752  -8.435  -4.851
   40    H    ILE   7           HN       ILE   7  -7.754  -6.885  -0.509
   41    HA   ILE   7           HA       ILE   7  -6.872  -4.510  -1.739
   42    HB   ILE   7           HB       ILE   7  -6.860  -5.253   1.200
   43   HG12  ILE   7          HG12      ILE   7  -9.120  -4.227  -0.542
   44   HG13  ILE   7          HG11      ILE   7  -9.014  -5.704   0.351
   45   HG21  ILE   7          HG21      ILE   7  -7.023  -2.546  -0.133
   46   HG22  ILE   7          HG22      ILE   7  -5.629  -3.196   0.728
   47   HG23  ILE   7          HG23      ILE   7  -7.117  -2.839   1.604
   48   HD11  ILE   7          HD11      ILE   7  -9.155  -3.000   1.638
   49   HD12  ILE   7          HD12      ILE   7  -9.115  -4.558   2.459
   50   HD13  ILE   7          HD13      ILE   7 -10.497  -4.130   1.451
   51    H    VAL   8           HN       VAL   8  -5.345  -6.560   0.713
   52    HA   VAL   8           HA       VAL   8  -2.796  -5.530   0.682
   53    HB   VAL   8           HB       VAL   8  -3.715  -8.381   1.171
   54   HG11  VAL   8          HG11      VAL   8  -1.331  -8.348   0.703
   55   HG12  VAL   8          HG12      VAL   8  -1.631  -8.683   2.409
   56   HG13  VAL   8          HG13      VAL   8  -1.095  -7.077   1.902
   57   HG21  VAL   8          HG21      VAL   8  -4.740  -6.716   2.641
   58   HG22  VAL   8          HG22      VAL   8  -3.169  -6.083   3.054
   59   HG23  VAL   8          HG23      VAL   8  -3.612  -7.723   3.549
   60    H    ALA   9           HN       ALA   9  -4.180  -8.004  -1.432
   61    HA   ALA   9           HA       ALA   9  -1.821  -8.584  -2.888
   62    HB1  ALA   9           HB1      ALA   9  -3.285  -9.638  -4.524
   63    HB2  ALA   9           HB2      ALA   9  -4.686  -8.854  -3.792
   64    HB3  ALA   9           HB3      ALA   9  -3.784 -10.065  -2.885
   65    H    GLY  10           HN       GLY  10  -4.283  -6.128  -3.238
   66    HA2  GLY  10           HA2      GLY  10  -3.541  -5.123  -5.788
   67    HA3  GLY  10           HA1      GLY  10  -4.419  -4.255  -4.524
   68    H    LEU  11           HN       LEU  11  -2.586  -4.433  -2.516
   69    HA   LEU  11           HA       LEU  11  -0.787  -2.311  -3.050
   70    HB2  LEU  11           HB2      LEU  11  -0.708  -4.399  -0.856
   71    HB3  LEU  11           HB1      LEU  11   0.175  -2.886  -0.864
   72    HG   LEU  11           HG       LEU  11  -2.839  -3.037  -0.833
   73   HD11  LEU  11          HD11      LEU  11  -0.939  -2.680   1.489
   74   HD12  LEU  11          HD12      LEU  11  -1.935  -4.094   1.177
   75   HD13  LEU  11          HD13      LEU  11  -2.695  -2.549   1.550
   76   HD21  LEU  11          HD21      LEU  11  -2.654  -0.717  -0.090
   77   HD22  LEU  11          HD22      LEU  11  -1.902  -0.949  -1.670
   78   HD23  LEU  11          HD23      LEU  11  -0.898  -0.811  -0.226
   79    H    ALA  12           HN       ALA  12  -0.394  -5.747  -2.584
   80    HA   ALA  12           HA       ALA  12   2.294  -6.136  -2.851
   81    HB1  ALA  12           HB1      ALA  12   0.102  -7.952  -3.802
   82    HB2  ALA  12           HB2      ALA  12   0.678  -7.808  -2.142
   83    HB3  ALA  12           HB3      ALA  12   1.750  -8.428  -3.393
   84    H    GLU  13           HN       GLU  13  -0.105  -6.108  -5.455
   85    HA   GLU  13           HA       GLU  13   1.749  -6.830  -7.464
   86    HB2  GLU  13           HB2      GLU  13   0.018  -6.212  -9.089
   87    HB3  GLU  13           HB1      GLU  13  -0.574  -7.273  -7.827
   88    HG2  GLU  13           HG2      GLU  13  -1.636  -5.406  -6.736
   89    HG3  GLU  13           HG1      GLU  13  -1.004  -4.296  -7.944
   90    H    ILE  14           HN       ILE  14   1.003  -3.832  -6.111
   91    HA   ILE  14           HA       ILE  14   2.246  -2.304  -8.231
   92    HB   ILE  14           HB       ILE  14   1.236  -1.511  -5.484
   93   HG12  ILE  14          HG12      ILE  14   0.005  -1.132  -8.201
   94   HG13  ILE  14          HG11      ILE  14  -0.413  -2.418  -7.075
   95   HG21  ILE  14          HG21      ILE  14   2.023   0.193  -7.845
   96   HG22  ILE  14          HG22      ILE  14   2.925   0.041  -6.338
   97   HG23  ILE  14          HG23      ILE  14   1.321   0.778  -6.336
   98   HD11  ILE  14          HD11      ILE  14  -2.005  -0.592  -7.001
   99   HD12  ILE  14          HD12      ILE  14  -0.703   0.532  -6.571
  100   HD13  ILE  14          HD13      ILE  14  -1.152  -0.786  -5.470
  101    H    VAL  15           HN       VAL  15   2.864  -3.300  -4.935
  102    HA   VAL  15           HA       VAL  15   5.351  -2.058  -4.602
  103    HB   VAL  15           HB       VAL  15   4.204  -4.522  -3.261
  104   HG11  VAL  15          HG11      VAL  15   6.616  -2.901  -2.425
  105   HG12  VAL  15          HG12      VAL  15   6.648  -4.557  -3.033
  106   HG13  VAL  15          HG13      VAL  15   5.877  -4.201  -1.488
  107   HG21  VAL  15          HG21      VAL  15   4.411  -1.661  -2.372
  108   HG22  VAL  15          HG22      VAL  15   3.769  -2.993  -1.409
  109   HG23  VAL  15          HG23      VAL  15   2.949  -2.498  -2.891
  110    H    ASN  16           HN       ASN  16   4.526  -5.268  -5.850
  111    HA   ASN  16           HA       ASN  16   7.148  -6.254  -6.093
  112    HB2  ASN  16           HB2      ASN  16   5.011  -7.564  -6.461
  113    HB3  ASN  16           HB1      ASN  16   4.939  -6.835  -8.060
  114   HD21  ASN  16          HD21      ASN  16   7.702  -8.059  -6.205
  115   HD22  ASN  16          HD22      ASN  16   8.224  -9.196  -7.383
  116    H    GLU  17           HN       GLU  17   5.301  -4.119  -8.070
  117    HA   GLU  17           HA       GLU  17   7.021  -4.193 -10.359
  118    HB2  GLU  17           HB2      GLU  17   4.600  -3.822 -10.465
  119    HB3  GLU  17           HB1      GLU  17   4.783  -2.349  -9.537
  120    HG2  GLU  17           HG2      GLU  17   6.133  -1.416 -11.372
  121    HG3  GLU  17           HG1      GLU  17   5.802  -2.878 -12.312
  122    H    ILE  18           HN       ILE  18   6.091  -1.669  -8.069
  123    HA   ILE  18           HA       ILE  18   8.074   0.175  -8.997
  124    HB   ILE  18           HB       ILE  18   6.100   0.303  -6.710
  125   HG12  ILE  18          HG12      ILE  18   6.096   1.616  -9.381
  126   HG13  ILE  18          HG11      ILE  18   5.215   0.106  -9.076
  127   HG21  ILE  18          HG21      ILE  18   7.948   1.791  -6.316
  128   HG22  ILE  18          HG22      ILE  18   6.517   2.725  -6.772
  129   HG23  ILE  18          HG23      ILE  18   7.813   2.458  -7.942
  130   HD11  ILE  18          HD11      ILE  18   3.883   1.380  -7.418
  131   HD12  ILE  18          HD12      ILE  18   3.745   2.012  -9.061
  132   HD13  ILE  18          HD13      ILE  18   4.768   2.833  -7.884
  133    H    ALA  19           HN       ALA  19   7.570  -1.446  -5.867
  134    HA   ALA  19           HA       ALA  19   9.977  -0.403  -4.688
  135    HB1  ALA  19           HB1      ALA  19   9.491  -1.996  -2.896
  136    HB2  ALA  19           HB2      ALA  19   8.209  -2.707  -3.878
  137    HB3  ALA  19           HB3      ALA  19   8.078  -1.035  -3.326
  138    H    GLY  20           HN       GLY  20   8.873  -3.407  -6.120
  139    HA2  GLY  20           HA2      GLY  20  10.140  -4.976  -7.304
  140    HA3  GLY  20           HA1      GLY  20  11.613  -4.283  -6.629
  141    H    ILE  21           HN       ILE  21   8.849  -5.042  -4.684
  142    HA   ILE  21           HA       ILE  21  10.398  -7.185  -3.386
  143    HB   ILE  21           HB       ILE  21   8.220  -5.419  -2.204
  144   HG12  ILE  21          HG12      ILE  21  10.251  -4.115  -2.559
  145   HG13  ILE  21          HG11      ILE  21  10.002  -4.386  -0.842
  146   HG21  ILE  21          HG21      ILE  21   9.967  -7.473  -0.850
  147   HG22  ILE  21          HG22      ILE  21   8.243  -7.618  -1.172
  148   HG23  ILE  21          HG23      ILE  21   8.826  -6.402  -0.036
  149   HD11  ILE  21          HD11      ILE  21  12.346  -4.602  -1.446
  150   HD12  ILE  21          HD12      ILE  21  11.942  -5.870  -2.608
  151   HD13  ILE  21          HD13      ILE  21  11.703  -6.146  -0.882
  152    HA   PRO  22           HA       PRO  22   7.579 -10.372  -4.902
  153    HB2  PRO  22           HB2      PRO  22   7.461 -11.310  -2.181
  154    HB3  PRO  22           HB1      PRO  22   8.255 -12.040  -3.578
  155    HG2  PRO  22           HG2      PRO  22   9.383 -10.334  -1.463
  156    HG3  PRO  22           HG1      PRO  22  10.205 -11.461  -2.557
  157    HD2  PRO  22           HD2      PRO  22  10.520  -8.820  -2.850
  158    HD3  PRO  22           HD1      PRO  22  10.330  -9.895  -4.268
  159    H    VAL  23           HN       VAL  23   5.628 -10.305  -5.299
  160    HA   VAL  23           HA       VAL  23   3.562  -8.748  -4.169
  161    HB   VAL  23           HB       VAL  23   3.309 -11.456  -5.538
  162   HG11  VAL  23          HG11      VAL  23   1.302  -9.231  -5.320
  163   HG12  VAL  23          HG12      VAL  23   1.239 -10.795  -4.509
  164   HG13  VAL  23          HG13      VAL  23   1.104 -10.705  -6.266
  165   HG21  VAL  23          HG21      VAL  23   3.006 -10.246  -7.634
  166   HG22  VAL  23          HG22      VAL  23   4.603  -9.969  -6.934
  167   HG23  VAL  23          HG23      VAL  23   3.355  -8.731  -6.803
  168    H    GLU  24           HN       GLU  24   4.767 -11.850  -3.658
  169    HA   GLU  24           HA       GLU  24   2.671 -12.670  -2.006
  170    HB2  GLU  24           HB2      GLU  24   5.217 -14.127  -2.618
  171    HB3  GLU  24           HB1      GLU  24   3.868 -14.812  -1.723
  172    HG2  GLU  24           HG2      GLU  24   3.820 -13.856  -4.570
  173    HG3  GLU  24           HG1      GLU  24   3.817 -15.531  -4.026
  174    H    ASP  25           HN       ASP  25   5.654 -11.081  -1.380
  175    HA   ASP  25           HA       ASP  25   5.641 -12.055   1.373
  176    HB2  ASP  25           HB2      ASP  25   7.874 -11.811   0.164
  177    HB3  ASP  25           HB1      ASP  25   7.605 -10.068   0.234
  178    H    VAL  26           HN       VAL  26   4.122  -9.882  -0.343
  179    HA   VAL  26           HA       VAL  26   3.947  -7.846   1.651
  180    HB   VAL  26           HB       VAL  26   2.552  -8.320  -1.007
  181   HG11  VAL  26          HG11      VAL  26   1.381  -6.237  -0.701
  182   HG12  VAL  26          HG12      VAL  26   1.999  -6.092   0.960
  183   HG13  VAL  26          HG13      VAL  26   0.890  -7.416   0.515
  184   HG21  VAL  26          HG21      VAL  26   4.289  -6.099   0.044
  185   HG22  VAL  26          HG22      VAL  26   3.621  -6.198  -1.581
  186   HG23  VAL  26          HG23      VAL  26   4.810  -7.391  -1.039
  187    H    LYS  27           HN       LYS  27   3.589  -9.134   3.246
  188    HA   LYS  27           HA       LYS  27   1.230 -10.775   3.746
  189    HB2  LYS  27           HB2      LYS  27   3.380  -9.710   5.597
  190    HB3  LYS  27           HB1      LYS  27   2.329 -11.091   5.882
  191    HG2  LYS  27           HG2      LYS  27   4.288 -11.015   3.606
  192    HG3  LYS  27           HG1      LYS  27   4.739 -11.584   5.219
  193    HD2  LYS  27           HD2      LYS  27   3.191 -13.375   5.086
  194    HD3  LYS  27           HD1      LYS  27   2.422 -12.689   3.654
  195    HE2  LYS  27           HE2      LYS  27   3.927 -14.638   3.222
  196    HE3  LYS  27           HE1      LYS  27   4.285 -13.183   2.300
  197    HZ1  LYS  27           HZ1      LYS  27   6.205 -12.766   3.693
  198    HZ2  LYS  27           HZ2      LYS  27   6.259 -14.350   3.190
  199    HZ3  LYS  27           HZ3      LYS  27   5.744 -13.995   4.772
  200    H    LEU  28           HN       LEU  28   1.086  -9.717   6.529
  201    HA   LEU  28           HA       LEU  28  -0.281  -7.211   5.826
  202    HB2  LEU  28           HB2      LEU  28  -1.744  -9.274   6.221
  203    HB3  LEU  28           HB1      LEU  28  -1.296  -9.105   7.907
  204    HG   LEU  28           HG       LEU  28  -2.375  -6.738   6.561
  205   HD11  LEU  28          HD11      LEU  28  -3.806  -8.496   5.749
  206   HD12  LEU  28          HD12      LEU  28  -4.688  -7.534   6.949
  207   HD13  LEU  28          HD13      LEU  28  -4.019  -9.120   7.384
  208   HD21  LEU  28          HD21      LEU  28  -3.495  -6.429   8.740
  209   HD22  LEU  28          HD22      LEU  28  -1.753  -6.639   8.920
  210   HD23  LEU  28          HD23      LEU  28  -2.845  -7.977   9.282
  211    H    ASP  29           HN       ASP  29   1.897  -8.721   7.878
  212    HA   ASP  29           HA       ASP  29   1.875  -6.623   9.905
  213    HB2  ASP  29           HB2      ASP  29   2.404  -8.828  10.709
  214    HB3  ASP  29           HB1      ASP  29   3.605  -9.068   9.448
  215    H    LYS  30           HN       LYS  30   2.983  -6.998   6.896
  216    HA   LYS  30           HA       LYS  30   5.682  -6.103   7.095
  217    HB2  LYS  30           HB2      LYS  30   3.848  -6.421   4.756
  218    HB3  LYS  30           HB1      LYS  30   5.501  -5.861   4.620
  219    HG2  LYS  30           HG2      LYS  30   4.732  -8.483   5.865
  220    HG3  LYS  30           HG1      LYS  30   5.150  -8.284   4.162
  221    HD2  LYS  30           HD2      LYS  30   7.344  -7.337   4.874
  222    HD3  LYS  30           HD1      LYS  30   6.899  -7.697   6.538
  223    HE2  LYS  30           HE2      LYS  30   6.845 -10.034   6.126
  224    HE3  LYS  30           HE1      LYS  30   6.974  -9.790   4.384
  225    HZ1  LYS  30           HZ1      LYS  30   9.184  -9.018   4.633
  226    HZ2  LYS  30           HZ2      LYS  30   9.087 -10.475   5.468
  227    HZ3  LYS  30           HZ3      LYS  30   9.070  -8.978   6.305
  228    H    SER  31           HN       SER  31   6.204  -4.066   7.684
  229    HA   SER  31           HA       SER  31   4.607  -1.900   6.877
  230    HB2  SER  31           HB2      SER  31   6.666  -0.745   7.880
  231    HB3  SER  31           HB1      SER  31   5.674  -1.700   8.976
  232    HG   SER  31           HG       SER  31   8.066  -2.078   9.023
  233    H    PHE  32           HN       PHE  32   4.617  -1.521   4.766
  234    HA   PHE  32           HA       PHE  32   6.046  -2.017   2.636
  235    HB2  PHE  32           HB2      PHE  32   5.046   0.683   3.418
  236    HB3  PHE  32           HB1      PHE  32   5.757   0.405   1.845
  237    HD1  PHE  32           HD1      PHE  32   4.696  -1.481   0.464
  238    HD2  PHE  32           HD2      PHE  32   2.826   0.367   3.784
  239    HE1  PHE  32           HE1      PHE  32   2.504  -2.182  -0.390
  240    HE2  PHE  32           HE2      PHE  32   0.629  -0.326   2.942
  241    HZ   PHE  32           HZ       PHE  32   0.469  -1.596   0.841
  242    H    THR  33           HN       THR  33   7.004   1.259   3.606
  243    HA   THR  33           HA       THR  33   9.635   0.840   2.781
  244    HB   THR  33           HB       THR  33   9.403   3.198   4.251
  245    HG1  THR  33           HG1      THR  33   7.345   3.965   3.492
  246   HG21  THR  33          HG21      THR  33   9.002   2.574   1.324
  247   HG22  THR  33          HG22      THR  33  10.541   2.836   2.117
  248   HG23  THR  33          HG23      THR  33   9.380   4.164   1.988
  249    H    ASP  34           HN       ASP  34   9.174  -0.986   4.935
  250    HA   ASP  34           HA       ASP  34  11.337  -0.121   6.637
  251    HB2  ASP  34           HB2      ASP  34   9.514   0.771   7.897
  252    HB3  ASP  34           HB1      ASP  34   8.626  -0.744   7.774
  253    H    ASP  35           HN       ASP  35   8.900  -2.744   6.788
  254    HA   ASP  35           HA       ASP  35  11.008  -4.634   7.399
  255    HB2  ASP  35           HB2      ASP  35   8.490  -4.741   8.223
  256    HB3  ASP  35           HB1      ASP  35   8.211  -5.461   6.648
  257    H    LEU  36           HN       LEU  36   8.807  -3.976   4.737
  258    HA   LEU  36           HA       LEU  36   9.872  -5.980   2.970
  259    HB2  LEU  36           HB2      LEU  36   8.288  -3.471   2.367
  260    HB3  LEU  36           HB1      LEU  36   8.668  -4.707   1.192
  261    HG   LEU  36           HG       LEU  36   6.954  -5.161   3.639
  262   HD11  LEU  36          HD11      LEU  36   5.901  -3.582   2.100
  263   HD12  LEU  36          HD12      LEU  36   5.078  -5.143   2.069
  264   HD13  LEU  36          HD13      LEU  36   6.171  -4.697   0.759
  265   HD21  LEU  36          HD21      LEU  36   7.429  -6.848   1.174
  266   HD22  LEU  36          HD22      LEU  36   6.328  -7.216   2.503
  267   HD23  LEU  36          HD23      LEU  36   8.066  -7.169   2.787
  268    H    ASP  37           HN       ASP  37  10.152  -2.519   3.291
  269    HA   ASP  37           HA       ASP  37  11.732  -1.035   2.977
  270    HB2  ASP  37           HB2      ASP  37  13.390  -2.624   3.910
  271    HB3  ASP  37           HB1      ASP  37  13.648  -3.287   2.299
  272    H    VAL  38           HN       VAL  38  10.656  -0.145   1.484
  273    HA   VAL  38           HA       VAL  38  10.831  -0.964  -1.291
  274    HB   VAL  38           HB       VAL  38   9.204   1.207   0.109
  275   HG11  VAL  38          HG11      VAL  38   7.907   1.445  -1.955
  276   HG12  VAL  38          HG12      VAL  38   9.005   0.336  -2.781
  277   HG13  VAL  38          HG13      VAL  38   9.595   1.895  -2.206
  278   HG21  VAL  38          HG21      VAL  38   8.388  -1.464  -1.019
  279   HG22  VAL  38          HG22      VAL  38   7.296  -0.263  -0.329
  280   HG23  VAL  38          HG23      VAL  38   8.512  -1.035   0.688
  281    H    ASP  39           HN       ASP  39  10.635   2.346  -0.241
  282    HA   ASP  39           HA       ASP  39  13.120   3.423  -0.460
  283    HB2  ASP  39           HB2      ASP  39  12.761   2.611  -3.043
  284    HB3  ASP  39           HB1      ASP  39  11.528   3.889  -2.860
  285    H    SER  40           HN       SER  40  12.620   5.734  -1.025
  286    HA   SER  40           HA       SER  40  10.269   6.376   0.620
  287    HB2  SER  40           HB2      SER  40  12.489   7.322   1.260
  288    HB3  SER  40           HB1      SER  40  12.528   8.200  -0.270
  289    H    LEU  41           HN       LEU  41  11.715   6.941  -2.475
  290    HA   LEU  41           HA       LEU  41   9.658   8.843  -3.191
  291    HB2  LEU  41           HB2      LEU  41  11.961   7.870  -4.869
  292    HB3  LEU  41           HB1      LEU  41  10.967   9.284  -5.160
  293    HG   LEU  41           HG       LEU  41  13.015   8.888  -2.993
  294   HD11  LEU  41          HD11      LEU  41  14.086  10.841  -3.979
  295   HD12  LEU  41          HD12      LEU  41  12.853  10.866  -5.239
  296   HD13  LEU  41          HD13      LEU  41  13.949   9.491  -5.104
  297   HD21  LEU  41          HD21      LEU  41  11.070  11.206  -3.269
  298   HD22  LEU  41          HD22      LEU  41  12.463  11.165  -2.185
  299   HD23  LEU  41          HD23      LEU  41  11.145  10.042  -1.941
  300    H    SER  42           HN       SER  42  10.638   5.553  -3.828
  301    HA   SER  42           HA       SER  42   8.849   5.091  -5.973
  302    HB2  SER  42           HB2      SER  42  10.089   3.144  -4.011
  303    HB3  SER  42           HB1      SER  42   9.391   2.740  -5.571
  304    HG   SER  42           HG       SER  42  10.989   3.703  -6.608
  305    H    MET  43           HN       MET  43   8.590   5.236  -2.540
  306    HA   MET  43           HA       MET  43   6.366   3.656  -2.011
  307    HB2  MET  43           HB2      MET  43   7.762   4.605  -0.291
  308    HB3  MET  43           HB1      MET  43   7.238   6.227  -0.729
  309    HG2  MET  43           HG2      MET  43   6.117   5.266   1.242
  310    HG3  MET  43           HG1      MET  43   5.040   5.803  -0.054
  311    HE1  MET  43           HE1      MET  43   6.785   2.685   1.544
  312    HE2  MET  43           HE2      MET  43   7.235   2.677  -0.150
  313    HE3  MET  43           HE3      MET  43   6.200   1.388   0.491
  314    H    VAL  44           HN       VAL  44   6.633   7.030  -3.009
  315    HA   VAL  44           HA       VAL  44   3.906   7.647  -2.729
  316    HB   VAL  44           HB       VAL  44   5.975   9.068  -4.432
  317   HG11  VAL  44          HG11      VAL  44   3.394  10.084  -3.243
  318   HG12  VAL  44          HG12      VAL  44   3.700   9.782  -4.954
  319   HG13  VAL  44          HG13      VAL  44   4.581  11.057  -4.109
  320   HG21  VAL  44          HG21      VAL  44   6.749   8.825  -2.145
  321   HG22  VAL  44          HG22      VAL  44   5.228   9.466  -1.538
  322   HG23  VAL  44          HG23      VAL  44   6.312  10.504  -2.461
  323    H    GLU  45           HN       GLU  45   5.678   6.043  -5.246
  324    HA   GLU  45           HA       GLU  45   3.770   6.517  -7.308
  325    HB2  GLU  45           HB2      GLU  45   5.863   4.361  -7.033
  326    HB3  GLU  45           HB1      GLU  45   5.006   4.794  -8.505
  327    HG2  GLU  45           HG2      GLU  45   6.067   6.972  -8.493
  328    HG3  GLU  45           HG1      GLU  45   6.890   6.567  -6.986
  329    H    VAL  46           HN       VAL  46   4.360   4.116  -4.852
  330    HA   VAL  46           HA       VAL  46   2.442   2.183  -5.660
  331    HB   VAL  46           HB       VAL  46   3.387   2.864  -2.843
  332   HG11  VAL  46          HG11      VAL  46   2.768   0.555  -2.277
  333   HG12  VAL  46          HG12      VAL  46   2.136   0.336  -3.912
  334   HG13  VAL  46          HG13      VAL  46   1.377   1.495  -2.823
  335   HG21  VAL  46          HG21      VAL  46   5.019   1.050  -3.122
  336   HG22  VAL  46          HG22      VAL  46   5.277   2.341  -4.298
  337   HG23  VAL  46          HG23      VAL  46   4.492   0.842  -4.793
  338    H    VAL  47           HN       VAL  47   2.332   4.899  -3.460
  339    HA   VAL  47           HA       VAL  47  -0.328   4.749  -2.650
  340    HB   VAL  47           HB       VAL  47   1.224   7.301  -3.102
  341   HG11  VAL  47          HG11      VAL  47  -1.015   6.647  -1.190
  342   HG12  VAL  47          HG12      VAL  47  -1.152   7.632  -2.634
  343   HG13  VAL  47          HG13      VAL  47  -0.161   8.185  -1.285
  344   HG21  VAL  47          HG21      VAL  47   1.227   5.481  -0.692
  345   HG22  VAL  47          HG22      VAL  47   1.995   7.065  -0.783
  346   HG23  VAL  47          HG23      VAL  47   2.577   5.745  -1.798
  347    H    VAL  48           HN       VAL  48   1.047   6.833  -5.197
  348    HA   VAL  48           HA       VAL  48  -1.330   7.897  -6.157
  349    HB   VAL  48           HB       VAL  48   1.156   8.403  -6.602
  350   HG11  VAL  48          HG11      VAL  48   1.974   7.938  -8.845
  351   HG12  VAL  48          HG12      VAL  48   0.641   6.777  -8.994
  352   HG13  VAL  48          HG13      VAL  48   1.869   6.551  -7.744
  353   HG21  VAL  48          HG21      VAL  48  -0.564   9.943  -7.215
  354   HG22  VAL  48          HG22      VAL  48  -0.954   8.998  -8.654
  355   HG23  VAL  48          HG23      VAL  48   0.592   9.839  -8.543
  356    H    ALA  49           HN       ALA  49   0.323   5.059  -7.152
  357    HA   ALA  49           HA       ALA  49  -1.492   4.329  -9.247
  358    HB1  ALA  49           HB1      ALA  49   0.783   3.408  -9.160
  359    HB2  ALA  49           HB2      ALA  49  -0.430   2.135  -9.264
  360    HB3  ALA  49           HB3      ALA  49   0.352   2.486  -7.721
  361    H    ALA  50           HN       ALA  50  -1.376   3.611  -5.829
  362    HA   ALA  50           HA       ALA  50  -3.236   1.553  -5.723
  363    HB1  ALA  50           HB1      ALA  50  -1.786   2.133  -3.841
  364    HB2  ALA  50           HB2      ALA  50  -3.478   2.079  -3.351
  365    HB3  ALA  50           HB3      ALA  50  -2.683   3.634  -3.608
  366    H    GLU  51           HN       GLU  51  -3.647   5.018  -5.842
  367    HA   GLU  51           HA       GLU  51  -6.297   5.282  -5.100
  368    HB2  GLU  51           HB2      GLU  51  -4.773   6.827  -7.200
  369    HB3  GLU  51           HB1      GLU  51  -6.235   7.360  -6.378
  370    HG2  GLU  51           HG2      GLU  51  -5.062   7.371  -4.249
  371    HG3  GLU  51           HG1      GLU  51  -3.605   6.785  -5.034
  372    H    GLU  52           HN       GLU  52  -4.913   4.514  -8.243
  373    HA   GLU  52           HA       GLU  52  -7.497   4.286  -9.496
  374    HB2  GLU  52           HB2      GLU  52  -5.662   5.132 -10.798
  375    HB3  GLU  52           HB1      GLU  52  -4.711   3.692 -10.462
  376    HG2  GLU  52           HG2      GLU  52  -6.227   2.345 -11.737
  377    HG3  GLU  52           HG1      GLU  52  -7.287   3.729 -12.020
  378    H    ARG  53           HN       ARG  53  -5.089   2.171  -8.136
  379    HA   ARG  53           HA       ARG  53  -5.891  -0.249  -9.364
  380    HB2  ARG  53           HB2      ARG  53  -3.673   0.043  -8.468
  381    HB3  ARG  53           HB1      ARG  53  -4.312   0.331  -6.864
  382    HG2  ARG  53           HG2      ARG  53  -3.347  -1.861  -6.935
  383    HG3  ARG  53           HG1      ARG  53  -5.092  -2.027  -6.804
  384    HD2  ARG  53           HD2      ARG  53  -3.587  -2.203  -9.407
  385    HD3  ARG  53           HD1      ARG  53  -3.944  -3.601  -8.397
  386    HE   ARG  53           HE       ARG  53  -6.313  -2.203  -8.907
  387   HH11  ARG  53          HH11      ARG  53  -4.017  -4.390 -10.521
  388   HH12  ARG  53          HH12      ARG  53  -5.126  -4.814 -11.755
  389   HH21  ARG  53          HH21      ARG  53  -7.816  -2.858 -10.550
  390   HH22  ARG  53          HH22      ARG  53  -7.308  -3.927 -11.765
  391    H    PHE  54           HN       PHE  54  -6.728   1.335  -6.387
  392    HA   PHE  54           HA       PHE  54  -8.429  -0.905  -5.608
  393    HB2  PHE  54           HB2      PHE  54  -7.448   1.523  -4.146
  394    HB3  PHE  54           HB1      PHE  54  -8.563   0.354  -3.472
  395    HD1  PHE  54           HD2      PHE  54  -5.140   0.789  -4.793
  396    HD2  PHE  54           HD1      PHE  54  -7.758  -1.617  -2.487
  397    HE1  PHE  54           HE2      PHE  54  -3.229  -0.520  -3.999
  398    HE2  PHE  54           HE1      PHE  54  -5.823  -2.909  -1.678
  399    HZ   PHE  54           HZ       PHE  54  -3.585  -2.365  -2.449
  400    H    ASP  55           HN       ASP  55  -8.622   2.037  -7.190
  401    HA   ASP  55           HA       ASP  55 -10.180   3.590  -7.617
  402    HB2  ASP  55           HB2      ASP  55 -12.087   1.306  -7.027
  403    HB3  ASP  55           HB1      ASP  55 -12.630   2.877  -7.593
  404    H    VAL  56           HN       VAL  56  -9.294   4.611  -5.803
  405    HA   VAL  56           HA       VAL  56 -11.263   5.500  -3.980
  406    HB   VAL  56           HB       VAL  56 -10.452   3.336  -2.947
  407   HG11  VAL  56          HG11      VAL  56  -8.241   3.243  -3.734
  408   HG12  VAL  56          HG12      VAL  56  -8.245   3.166  -1.972
  409   HG13  VAL  56          HG13      VAL  56  -7.789   4.666  -2.789
  410   HG21  VAL  56          HG21      VAL  56 -10.145   4.072  -0.701
  411   HG22  VAL  56          HG22      VAL  56 -11.275   5.196  -1.456
  412   HG23  VAL  56          HG23      VAL  56  -9.580   5.647  -1.205
  413    H    LYS  57           HN       LYS  57  -9.849   7.168  -2.444
  414    HA   LYS  57           HA       LYS  57  -7.702   8.240  -4.127
  415    HB2  LYS  57           HB2      LYS  57  -9.959   9.432  -4.326
  416    HB3  LYS  57           HB1      LYS  57  -9.764   9.878  -2.641
  417    HG2  LYS  57           HG2      LYS  57  -9.119  11.684  -4.130
  418    HG3  LYS  57           HG1      LYS  57  -7.735  11.103  -3.195
  419    HD2  LYS  57           HD2      LYS  57  -6.992   9.772  -5.073
  420    HD3  LYS  57           HD1      LYS  57  -8.401  10.274  -6.010
  421    HE2  LYS  57           HE2      LYS  57  -7.641  12.504  -6.119
  422    HE3  LYS  57           HE1      LYS  57  -6.393  12.211  -4.904
  423    HZ1  LYS  57           HZ1      LYS  57  -5.334  10.718  -6.380
  424    HZ2  LYS  57           HZ2      LYS  57  -5.426  12.255  -7.079
  425    HZ3  LYS  57           HZ3      LYS  57  -6.457  10.988  -7.622
  426    H    ILE  58           HN       ILE  58  -6.024   7.646  -2.953
  427    HA   ILE  58           HA       ILE  58  -6.034   8.312  -0.087
  428    HB   ILE  58           HB       ILE  58  -4.097   6.408  -1.435
  429   HG12  ILE  58          HG12      ILE  58  -6.629   5.633   0.032
  430   HG13  ILE  58          HG11      ILE  58  -6.442   5.582  -1.715
  431   HG21  ILE  58          HG21      ILE  58  -3.421   7.321   0.747
  432   HG22  ILE  58          HG22      ILE  58  -3.791   5.598   0.900
  433   HG23  ILE  58          HG23      ILE  58  -4.946   6.796   1.453
  434   HD11  ILE  58          HD11      ILE  58  -4.845   3.988   0.273
  435   HD12  ILE  58          HD12      ILE  58  -4.678   3.931  -1.487
  436   HD13  ILE  58          HD13      ILE  58  -6.171   3.384  -0.722
  437    HA   PRO  59           HA       PRO  59  -3.102  11.196  -1.912
  438    HB2  PRO  59           HB2      PRO  59  -3.212  13.031   0.046
  439    HB3  PRO  59           HB1      PRO  59  -4.477  12.888  -1.179
  440    HG2  PRO  59           HG2      PRO  59  -4.454  11.922   1.643
  441    HG3  PRO  59           HG1      PRO  59  -5.780  12.647   0.712
  442    HD2  PRO  59           HD2      PRO  59  -5.471   9.950   1.160
  443    HD3  PRO  59           HD1      PRO  59  -6.378  10.646  -0.197
  444    H    ASP  60           HN       ASP  60  -0.953  11.418  -1.597
  445    HA   ASP  60           HA       ASP  60   0.525   9.852   0.113
  446    HB2  ASP  60           HB2      ASP  60   1.632  10.700  -1.778
  447    HB3  ASP  60           HB1      ASP  60   1.190  12.362  -1.402
  448    H    ASP  61           HN       ASP  61  -0.767  12.954   0.636
  449    HA   ASP  61           HA       ASP  61   0.489  13.927   2.885
  450    HB2  ASP  61           HB2      ASP  61  -1.242  15.200   1.794
  451    HB3  ASP  61           HB1      ASP  61  -2.450  13.985   2.189
  452    H    ASP  62           HN       ASP  62  -2.404  11.823   2.948
  453    HA   ASP  62           HA       ASP  62  -1.956  11.362   5.789
  454    HB2  ASP  62           HB2      ASP  62  -4.249  11.860   4.958
  455    HB3  ASP  62           HB1      ASP  62  -4.191  10.353   4.044
  456    H    VAL  63           HN       VAL  63  -1.358   9.749   2.863
  457    HA   VAL  63           HA       VAL  63  -1.543   7.090   3.666
  458    HB   VAL  63           HB       VAL  63  -1.073   8.103   1.314
  459   HG11  VAL  63          HG11      VAL  63   1.750   7.577   2.193
  460   HG12  VAL  63          HG12      VAL  63   1.050   9.137   1.767
  461   HG13  VAL  63          HG13      VAL  63   1.230   7.884   0.535
  462   HG21  VAL  63          HG21      VAL  63  -1.522   5.784   1.699
  463   HG22  VAL  63          HG22      VAL  63   0.164   5.509   2.161
  464   HG23  VAL  63          HG23      VAL  63  -0.238   5.981   0.506
  465    H    LYS  64           HN       LYS  64   0.768   9.441   4.491
  466    HA   LYS  64           HA       LYS  64   2.952   7.814   5.063
  467    HB2  LYS  64           HB2      LYS  64   2.272  10.468   6.326
  468    HB3  LYS  64           HB1      LYS  64   3.861   9.720   6.262
  469    HG2  LYS  64           HG2      LYS  64   3.817   9.895   3.795
  470    HG3  LYS  64           HG1      LYS  64   2.264  10.714   3.898
  471    HD2  LYS  64           HD2      LYS  64   3.385  12.419   5.367
  472    HD3  LYS  64           HD1      LYS  64   4.918  11.655   4.948
  473    HE2  LYS  64           HE2      LYS  64   2.960  12.907   3.016
  474    HE3  LYS  64           HE1      LYS  64   4.483  13.612   3.538
  475    HZ1  LYS  64           HZ1      LYS  64   5.560  11.563   2.472
  476    HZ2  LYS  64           HZ2      LYS  64   4.908  12.740   1.514
  477    HZ3  LYS  64           HZ3      LYS  64   4.062  11.321   1.674
  478    H    ASN  65           HN       ASN  65  -0.008   8.095   6.608
  479    HA   ASN  65           HA       ASN  65   1.006   7.353   9.244
  480    HB2  ASN  65           HB2      ASN  65  -1.822   8.015   8.374
  481    HB3  ASN  65           HB1      ASN  65  -1.311   7.678  10.025
  482   HD21  ASN  65          HD21      ASN  65  -1.317   9.959   7.453
  483   HD22  ASN  65          HD22      ASN  65  -0.692  11.312   8.336
  484    H    LEU  66           HN       LEU  66   0.110   5.823   6.439
  485    HA   LEU  66           HA       LEU  66  -1.404   3.692   7.617
  486    HB2  LEU  66           HB2      LEU  66  -0.075   3.860   4.907
  487    HB3  LEU  66           HB1      LEU  66  -1.095   2.536   5.430
  488    HG   LEU  66           HG       LEU  66  -1.980   5.399   5.031
  489   HD11  LEU  66          HD11      LEU  66  -1.562   4.240   2.945
  490   HD12  LEU  66          HD12      LEU  66  -3.293   4.465   3.189
  491   HD13  LEU  66          HD13      LEU  66  -2.557   2.888   3.480
  492   HD21  LEU  66          HD21      LEU  66  -3.553   2.950   5.809
  493   HD22  LEU  66          HD22      LEU  66  -4.237   4.512   5.403
  494   HD23  LEU  66          HD23      LEU  66  -3.221   4.343   6.840
  495    H    LYS  67           HN       LYS  67   1.852   3.926   6.294
  496    HA   LYS  67           HA       LYS  67   3.687   2.890   6.533
  497    HB2  LYS  67           HB2      LYS  67   4.525   2.338   8.911
  498    HB3  LYS  67           HB1      LYS  67   4.148   3.989   8.488
  499    HG2  LYS  67           HG2      LYS  67   3.407   3.586  10.718
  500    HG3  LYS  67           HG1      LYS  67   1.984   3.731   9.695
  501    HD2  LYS  67           HD2      LYS  67   1.782   1.265   9.679
  502    HD3  LYS  67           HD1      LYS  67   3.193   1.160  10.741
  503    HE2  LYS  67           HE2      LYS  67   2.026   2.442  12.452
  504    HE3  LYS  67           HE1      LYS  67   0.636   2.626  11.392
  505    HZ1  LYS  67           HZ1      LYS  67   0.367   0.892  13.081
  506    HZ2  LYS  67           HZ2      LYS  67   1.603  -0.024  12.390
  507    HZ3  LYS  67           HZ3      LYS  67   0.205   0.276  11.537
  508    H    THR  68           HN       THR  68   1.205   0.795   7.361
  509    HA   THR  68           HA       THR  68   3.033  -1.357   6.510
  510    HB   THR  68           HB       THR  68   1.639  -3.002   7.686
  511    HG1  THR  68           HG1      THR  68   0.443  -1.276   9.469
  512   HG21  THR  68          HG21      THR  68   3.668  -2.265   8.699
  513   HG22  THR  68          HG22      THR  68   2.446  -2.591   9.933
  514   HG23  THR  68          HG23      THR  68   2.843  -0.912   9.488
  515    H    VAL  69           HN       VAL  69   1.886  -3.196   5.638
  516    HA   VAL  69           HA       VAL  69   0.071  -2.517   3.597
  517    HB   VAL  69           HB       VAL  69  -0.165  -5.101   3.527
  518   HG11  VAL  69          HG11      VAL  69   2.074  -5.317   2.478
  519   HG12  VAL  69          HG12      VAL  69   2.577  -3.817   3.261
  520   HG13  VAL  69          HG13      VAL  69   1.329  -3.787   2.017
  521   HG21  VAL  69          HG21      VAL  69   0.536  -5.519   5.772
  522   HG22  VAL  69          HG22      VAL  69   2.113  -4.803   5.436
  523   HG23  VAL  69          HG23      VAL  69   1.630  -6.295   4.631
  524    H    GLY  70           HN       GLY  70  -0.276  -4.024   6.779
  525    HA2  GLY  70           HA2      GLY  70  -3.000  -4.690   6.555
  526    HA3  GLY  70           HA1      GLY  70  -2.095  -4.520   8.051
  527    H    ASP  71           HN       ASP  71  -1.362  -1.825   7.825
  528    HA   ASP  71           HA       ASP  71  -3.885  -0.700   8.547
  529    HB2  ASP  71           HB2      ASP  71  -1.144   0.539   8.536
  530    HB3  ASP  71           HB1      ASP  71  -2.600   1.379   9.049
  531    H    ALA  72           HN       ALA  72  -1.829  -0.546   5.742
  532    HA   ALA  72           HA       ALA  72  -3.098   1.613   4.454
  533    HB1  ALA  72           HB1      ALA  72  -1.063   0.558   3.553
  534    HB2  ALA  72           HB2      ALA  72  -2.350   0.566   2.347
  535    HB3  ALA  72           HB3      ALA  72  -1.972  -0.917   3.224
  536    H    THR  73           HN       THR  73  -3.708  -1.890   4.162
  537    HA   THR  73           HA       THR  73  -6.080  -1.999   2.942
  538    HB   THR  73           HB       THR  73  -5.184  -3.583   5.350
  539    HG1  THR  73           HG1      THR  73  -3.646  -3.893   3.833
  540   HG21  THR  73          HG21      THR  73  -7.561  -3.932   4.833
  541   HG22  THR  73          HG22      THR  73  -6.627  -5.371   4.395
  542   HG23  THR  73          HG23      THR  73  -7.156  -4.232   3.150
  543    H    LYS  74           HN       LYS  74  -5.635  -1.363   6.487
  544    HA   LYS  74           HA       LYS  74  -8.256  -1.246   7.281
  545    HB2  LYS  74           HB2      LYS  74  -6.403  -1.075   8.825
  546    HB3  LYS  74           HB1      LYS  74  -5.940   0.477   8.150
  547    HG2  LYS  74           HG2      LYS  74  -8.023   1.455   8.965
  548    HG3  LYS  74           HG1      LYS  74  -8.489  -0.111   9.640
  549    HD2  LYS  74           HD2      LYS  74  -6.453  -0.082  10.996
  550    HD3  LYS  74           HD1      LYS  74  -6.082   1.524  10.384
  551    HE2  LYS  74           HE2      LYS  74  -8.596   0.828  11.915
  552    HE3  LYS  74           HE1      LYS  74  -7.178   1.601  12.615
  553    HZ1  LYS  74           HZ1      LYS  74  -7.515   3.478  11.119
  554    HZ2  LYS  74           HZ2      LYS  74  -8.901   3.204  12.045
  555    HZ3  LYS  74           HZ3      LYS  74  -8.874   2.736  10.441
  556    H    TYR  75           HN       TYR  75  -6.402   1.243   5.583
  557    HA   TYR  75           HA       TYR  75  -8.336   3.317   5.938
  558    HB2  TYR  75           HB2      TYR  75  -5.913   3.754   5.533
  559    HB3  TYR  75           HB1      TYR  75  -6.076   3.049   3.935
  560    HD1  TYR  75           HD2      TYR  75  -7.353   4.295   2.165
  561    HD2  TYR  75           HD1      TYR  75  -6.572   6.005   5.984
  562    HE1  TYR  75           HE2      TYR  75  -7.867   6.525   1.272
  563    HE2  TYR  75           HE1      TYR  75  -7.082   8.239   5.088
  564    HH   TYR  75           HH       TYR  75  -7.187   9.421   2.958
  565    H    ILE  76           HN       ILE  76  -7.290   1.246   3.322
  566    HA   ILE  76           HA       ILE  76  -9.142   2.085   1.381
  567    HB   ILE  76           HB       ILE  76  -7.696  -0.558   1.614
  568   HG12  ILE  76          HG12      ILE  76  -6.796   1.978   0.236
  569   HG13  ILE  76          HG11      ILE  76  -6.238   1.473   1.826
  570   HG21  ILE  76          HG21      ILE  76  -8.780   0.966  -0.771
  571   HG22  ILE  76          HG22      ILE  76  -9.492  -0.490  -0.074
  572   HG23  ILE  76          HG23      ILE  76  -7.906  -0.563  -0.838
  573   HD11  ILE  76          HD11      ILE  76  -5.284  -0.528   0.850
  574   HD12  ILE  76          HD12      ILE  76  -4.630   0.935   0.105
  575   HD13  ILE  76          HD13      ILE  76  -5.846  -0.027  -0.746
  576    H    LEU  77           HN       LEU  77  -9.169  -0.747   3.524
  577    HA   LEU  77           HA       LEU  77 -11.554  -1.887   2.621
  578    HB2  LEU  77           HB2      LEU  77 -10.000  -2.994   4.162
  579    HB3  LEU  77           HB1      LEU  77 -10.421  -1.854   5.419
  580    HG   LEU  77           HG       LEU  77 -12.733  -2.763   5.413
  581   HD11  LEU  77          HD11      LEU  77 -12.820  -3.614   3.152
  582   HD12  LEU  77          HD12      LEU  77 -13.175  -4.893   4.313
  583   HD13  LEU  77          HD13      LEU  77 -11.592  -4.818   3.540
  584   HD21  LEU  77          HD21      LEU  77 -10.538  -4.772   5.897
  585   HD22  LEU  77          HD22      LEU  77 -12.170  -4.856   6.557
  586   HD23  LEU  77          HD23      LEU  77 -11.092  -3.543   7.033
  587    H    ASP  78           HN       ASP  78 -11.025   0.725   4.809
  588    HA   ASP  78           HA       ASP  78 -13.859   0.850   5.547
  589    HB2  ASP  78           HB2      ASP  78 -12.108   1.224   7.262
  590    HB3  ASP  78           HB1      ASP  78 -11.610   2.673   6.404
  591    H    HIS  79           HN       HIS  79 -11.596   2.516   3.569
  592    HA   HIS  79           HA       HIS  79 -13.402   4.725   2.997
  593    HB2  HIS  79           HB2      HIS  79 -10.508   4.240   2.501
  594    HB3  HIS  79           HB1      HIS  79 -11.284   5.509   1.599
  595    HD1  HIS  79           HD1      HIS  79 -11.340   7.766   2.804
  596    HD2  HIS  79           HD2      HIS  79 -10.656   4.589   5.411
  597    HE1  HIS  79           HE1      HIS  79 -10.797   8.794   4.996
  598    HE2  HIS  79           HE2      HIS  79 -10.148   6.888   6.481
  599    H    GLN  80           HN       GLN  80 -13.161   1.748   1.820
  600    HA   GLN  80           HA       GLN  80 -13.055   1.567  -0.863
  601    HB2  GLN  80           HB2      GLN  80 -15.145   0.597   1.010
  602    HB3  GLN  80           HB1      GLN  80 -15.114   0.039  -0.674
  603    HG2  GLN  80           HG2      GLN  80 -13.026  -0.338   1.463
  604    HG3  GLN  80           HG1      GLN  80 -14.180  -1.550   0.936
  605   HE21  GLN  80          HE21      GLN  80 -11.335  -1.633   0.970
  606   HE22  GLN  80          HE22      GLN  80 -10.813  -1.904  -0.657
  607    H    ALA  81           HN       ALA  81 -14.134   2.317  -2.597
  608    HA   ALA  81           HA       ALA  81 -16.111   4.394  -2.155
  609    HB1  ALA  81           HB1      ALA  81 -15.773   4.928  -4.525
  610    HB2  ALA  81           HB2      ALA  81 -14.725   3.519  -4.695
  611    HB3  ALA  81           HB3      ALA  81 -14.235   4.864  -3.665
  612    H2   SHW 101           H2A      SHW 101   3.057   6.062   3.067
  613    H2A  SHW 101           H2B      SHW 101   3.951   4.930   2.075
  614    H3   SHW 101           H3A      SHW 101   3.334   4.522   5.015
  615    HO3  SHW 101           HO3      SHW 101   5.290   3.501   3.699
  616    H4   SHW 101           H4A      SHW 101   1.338   4.312   3.682
  617    H4A  SHW 101           H4B      SHW 101   1.881   2.696   4.108
  618    H5   SHW 101           H5A      SHW 101   2.776   2.351   1.911
  619    H5A  SHW 101           H5B      SHW 101   2.439   4.022   1.461
  620    H6   SHW 101           H6A      SHW 101   0.028   3.584   1.794
  621    H6A  SHW 101           H6B      SHW 101   0.415   1.888   2.102
  622    H7   SHW 101           H7A      SHW 101   1.323   1.648  -0.131
  623    H7A  SHW 101           H7B      SHW 101   1.089   3.379  -0.439
  624    H8   SHW 101           H8C      SHW 101  -1.320   3.079  -0.160
  625    H8A  SHW 101           H8A      SHW 101  -1.074   1.361   0.144
  626    H8B  SHW 101           H8B      SHW 101  -0.694   2.037  -1.439
  627    H28  SHW 101          H28A      SHW 101  10.802   8.884   4.470
  628   H28A  SHW 101          H28B      SHW 101  10.963   7.464   3.453
  629    H30  SHW 101          H30A      SHW 101  12.459   5.639   3.959
  630   H30A  SHW 101          H30B      SHW 101  13.637   5.746   5.268
  631   H30B  SHW 101          H30C      SHW 101  13.806   6.773   3.843
  632    H31  SHW 101          H31A      SHW 101  13.701   7.788   6.719
  633   H31A  SHW 101          H31B      SHW 101  12.586   9.117   6.404
  634   H31B  SHW 101          H31C      SHW 101  13.888   8.770   5.266
  635    H32  SHW 101          H32A      SHW 101  11.812   6.155   6.983
  636   HO33  SHW 101          H33A      SHW 101   9.638   7.663   6.652
  637   HN36  SHW 101          H36A      SHW 101   9.523   5.687   7.496
  638    H37  SHW 101          H37A      SHW 101   7.945   4.503   5.319
  639   H37A  SHW 101          H37B      SHW 101   8.596   3.385   6.519
  640    H38  SHW 101          H38A      SHW 101   6.261   3.999   6.978
  641   H38A  SHW 101          H38B      SHW 101   7.334   4.513   8.273
  642   HN41  SHW 101          H41A      SHW 101   7.292   6.209   5.293
  643    H42  SHW 101          H42A      SHW 101   5.475   8.352   6.008
  644   H42A  SHW 101          H42B      SHW 101   7.186   8.728   6.006
  645    H43  SHW 101          H43A      SHW 101   7.316   7.836   3.642
  646   H43A  SHW 101          H43B      SHW 101   6.538   9.371   3.963
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1 -18.324  -2.271   1.314
    2    H2   ALA   1           HT2      ALA   1 -18.459  -3.720   0.434
    3    H3   ALA   1           HT3      ALA   1 -17.679  -2.399  -0.254
    4    HA   ALA   1           HA       ALA   1 -15.908  -2.516   1.263
    5    HB1  ALA   1           HB1      ALA   1 -15.764  -4.370   2.860
    6    HB2  ALA   1           HB2      ALA   1 -17.384  -4.897   2.395
    7    HB3  ALA   1           HB3      ALA   1 -17.160  -3.345   3.201
    8    H    ALA   2           HN       ALA   2 -14.136  -4.014   0.857
    9    HA   ALA   2           HA       ALA   2 -14.711  -5.851  -1.366
   10    HB1  ALA   2           HB1      ALA   2 -12.413  -5.395  -2.138
   11    HB2  ALA   2           HB2      ALA   2 -12.202  -4.243  -0.821
   12    HB3  ALA   2           HB3      ALA   2 -13.377  -3.922  -2.092
   13    H    THR   3           HN       THR   3 -12.801  -7.569  -1.457
   14    HA   THR   3           HA       THR   3 -12.662  -8.746   1.117
   15    HB   THR   3           HB       THR   3 -11.120 -10.315  -0.354
   16    HG1  THR   3           HG1      THR   3 -11.324 -10.040  -2.529
   17   HG21  THR   3          HG21      THR   3 -13.108 -11.479  -1.195
   18   HG22  THR   3          HG22      THR   3 -14.083 -10.043  -0.870
   19   HG23  THR   3          HG23      THR   3 -13.346 -10.928   0.464
   20    H    GLN   4           HN       GLN   4 -11.082  -8.333   2.525
   21    HA   GLN   4           HA       GLN   4  -9.201  -6.292   2.235
   22    HB2  GLN   4           HB2      GLN   4  -9.010  -8.670   4.095
   23    HB3  GLN   4           HB1      GLN   4  -8.128  -7.157   4.246
   24    HG2  GLN   4           HG2      GLN   4 -10.218  -5.961   4.594
   25    HG3  GLN   4           HG1      GLN   4 -11.116  -7.464   4.410
   26   HE21  GLN   4          HE21      GLN   4  -8.053  -7.217   6.121
   27   HE22  GLN   4          HE22      GLN   4  -8.683  -7.534   7.673
   28    H    GLU   5           HN       GLU   5  -9.081  -9.586   1.526
   29    HA   GLU   5           HA       GLU   5  -6.314 -10.063   1.219
   30    HB2  GLU   5           HB2      GLU   5  -8.537 -11.463  -0.282
   31    HB3  GLU   5           HB1      GLU   5  -6.917 -12.063   0.004
   32    HG2  GLU   5           HG2      GLU   5  -8.318 -13.258   1.459
   33    HG3  GLU   5           HG1      GLU   5  -7.496 -12.074   2.469
   34    H    GLU   6           HN       GLU   6  -8.828  -8.968  -0.983
   35    HA   GLU   6           HA       GLU   6  -7.223  -9.048  -3.324
   36    HB2  GLU   6           HB2      GLU   6  -9.715  -9.118  -3.277
   37    HB3  GLU   6           HB1      GLU   6  -9.702  -7.446  -2.746
   38    HG2  GLU   6           HG2      GLU   6 -10.210  -7.521  -5.089
   39    HG3  GLU   6           HG1      GLU   6  -8.600  -6.834  -4.888
   40    H    ILE   7           HN       ILE   7  -7.939  -6.785  -0.823
   41    HA   ILE   7           HA       ILE   7  -6.903  -4.461  -2.039
   42    HB   ILE   7           HB       ILE   7  -7.048  -5.141   0.896
   43   HG12  ILE   7          HG12      ILE   7  -9.216  -4.029  -0.925
   44   HG13  ILE   7          HG11      ILE   7  -9.200  -5.561  -0.108
   45   HG21  ILE   7          HG21      ILE   7  -7.108  -2.506  -0.601
   46   HG22  ILE   7          HG22      ILE   7  -5.756  -3.128   0.344
   47   HG23  ILE   7          HG23      ILE   7  -7.263  -2.681   1.147
   48   HD11  ILE   7          HD11      ILE   7  -9.298  -2.901   1.283
   49   HD12  ILE   7          HD12      ILE   7  -9.331  -4.487   2.052
   50   HD13  ILE   7          HD13      ILE   7 -10.663  -3.984   1.013
   51    H    VAL   8           HN       VAL   8  -5.594  -6.588   0.503
   52    HA   VAL   8           HA       VAL   8  -3.009  -5.634   0.487
   53    HB   VAL   8           HB       VAL   8  -4.138  -8.336   1.237
   54   HG11  VAL   8          HG11      VAL   8  -1.315  -7.339   1.672
   55   HG12  VAL   8          HG12      VAL   8  -1.811  -8.646   0.588
   56   HG13  VAL   8          HG13      VAL   8  -2.011  -8.830   2.331
   57   HG21  VAL   8          HG21      VAL   8  -3.771  -7.477   3.508
   58   HG22  VAL   8          HG22      VAL   8  -4.784  -6.372   2.565
   59   HG23  VAL   8          HG23      VAL   8  -3.097  -6.000   2.823
   60    H    ALA   9           HN       ALA   9  -4.426  -8.226  -1.497
   61    HA   ALA   9           HA       ALA   9  -2.024  -8.929  -2.830
   62    HB1  ALA   9           HB1      ALA   9  -4.861  -9.213  -3.824
   63    HB2  ALA   9           HB2      ALA   9  -3.994 -10.398  -2.844
   64    HB3  ALA   9           HB3      ALA   9  -3.447 -10.034  -4.483
   65    H    GLY  10           HN       GLY  10  -4.486  -6.505  -3.439
   66    HA2  GLY  10           HA2      GLY  10  -3.613  -5.649  -5.978
   67    HA3  GLY  10           HA1      GLY  10  -4.557  -4.716  -4.810
   68    H    LEU  11           HN       LEU  11  -2.921  -4.620  -2.705
   69    HA   LEU  11           HA       LEU  11  -1.070  -2.611  -3.295
   70    HB2  LEU  11           HB2      LEU  11  -1.156  -4.507  -0.949
   71    HB3  LEU  11           HB1      LEU  11  -0.146  -3.082  -1.041
   72    HG   LEU  11           HG       LEU  11  -3.163  -3.074  -1.033
   73   HD11  LEU  11          HD11      LEU  11  -2.926  -2.157   1.221
   74   HD12  LEU  11          HD12      LEU  11  -1.177  -2.357   1.120
   75   HD13  LEU  11          HD13      LEU  11  -2.228  -3.772   1.107
   76   HD21  LEU  11          HD21      LEU  11  -2.916  -0.657  -0.735
   77   HD22  LEU  11          HD22      LEU  11  -2.208  -1.192  -2.260
   78   HD23  LEU  11          HD23      LEU  11  -1.166  -0.813  -0.889
   79    H    ALA  12           HN       ALA  12  -0.633  -6.051  -2.624
   80    HA   ALA  12           HA       ALA  12   2.093  -6.302  -2.813
   81    HB1  ALA  12           HB1      ALA  12   0.566  -8.094  -2.068
   82    HB2  ALA  12           HB2      ALA  12   1.720  -8.677  -3.253
   83    HB3  ALA  12           HB3      ALA  12   0.058  -8.343  -3.734
   84    H    GLU  13           HN       GLU  13  -0.261  -6.556  -5.458
   85    HA   GLU  13           HA       GLU  13   1.694  -7.133  -7.403
   86    HB2  GLU  13           HB2      GLU  13  -0.012  -6.649  -9.135
   87    HB3  GLU  13           HB1      GLU  13  -0.614  -7.719  -7.887
   88    HG2  GLU  13           HG2      GLU  13  -1.820  -5.870  -6.873
   89    HG3  GLU  13           HG1      GLU  13  -1.180  -4.773  -8.090
   90    H    ILE  14           HN       ILE  14   0.405  -4.139  -6.345
   91    HA   ILE  14           HA       ILE  14   1.668  -2.427  -8.200
   92    HB   ILE  14           HB       ILE  14   0.778  -2.032  -5.339
   93   HG12  ILE  14          HG12      ILE  14  -0.534  -1.134  -7.888
   94   HG13  ILE  14          HG11      ILE  14  -0.912  -2.653  -7.079
   95   HG21  ILE  14          HG21      ILE  14   2.446  -0.372  -5.919
   96   HG22  ILE  14          HG22      ILE  14   0.841   0.361  -5.814
   97   HG23  ILE  14          HG23      ILE  14   1.562   0.024  -7.390
   98   HD11  ILE  14          HD11      ILE  14  -1.188   0.079  -5.882
   99   HD12  ILE  14          HD12      ILE  14  -1.548  -1.483  -5.119
  100   HD13  ILE  14          HD13      ILE  14  -2.495  -0.948  -6.511
  101    H    VAL  15           HN       VAL  15   2.536  -3.460  -4.924
  102    HA   VAL  15           HA       VAL  15   4.983  -2.166  -4.678
  103    HB   VAL  15           HB       VAL  15   4.171  -4.850  -3.518
  104   HG11  VAL  15          HG11      VAL  15   6.587  -4.570  -3.369
  105   HG12  VAL  15          HG12      VAL  15   5.853  -4.447  -1.771
  106   HG13  VAL  15          HG13      VAL  15   6.367  -2.988  -2.622
  107   HG21  VAL  15          HG21      VAL  15   3.611  -3.592  -1.499
  108   HG22  VAL  15          HG22      VAL  15   2.649  -3.086  -2.888
  109   HG23  VAL  15          HG23      VAL  15   4.000  -2.091  -2.338
  110    H    ASN  16           HN       ASN  16   4.308  -5.437  -5.846
  111    HA   ASN  16           HA       ASN  16   6.951  -6.182  -6.299
  112    HB2  ASN  16           HB2      ASN  16   4.857  -7.634  -6.315
  113    HB3  ASN  16           HB1      ASN  16   4.642  -7.121  -7.983
  114   HD21  ASN  16          HD21      ASN  16   7.657  -7.916  -6.266
  115   HD22  ASN  16          HD22      ASN  16   8.105  -9.224  -7.269
  116    H    GLU  17           HN       GLU  17   4.726  -4.327  -8.201
  117    HA   GLU  17           HA       GLU  17   6.232  -4.405 -10.650
  118    HB2  GLU  17           HB2      GLU  17   3.766  -4.388 -10.533
  119    HB3  GLU  17           HB1      GLU  17   3.826  -2.781  -9.851
  120    HG2  GLU  17           HG2      GLU  17   4.704  -1.898 -11.903
  121    HG3  GLU  17           HG1      GLU  17   4.824  -3.526 -12.581
  122    H    ILE  18           HN       ILE  18   5.588  -1.966  -8.125
  123    HA   ILE  18           HA       ILE  18   7.295   0.009  -9.487
  124    HB   ILE  18           HB       ILE  18   5.658   0.240  -6.929
  125   HG12  ILE  18          HG12      ILE  18   5.226   1.534  -9.536
  126   HG13  ILE  18          HG11      ILE  18   4.429  -0.027  -9.188
  127   HG21  ILE  18          HG21      ILE  18   6.047   2.653  -7.150
  128   HG22  ILE  18          HG22      ILE  18   7.088   2.357  -8.543
  129   HG23  ILE  18          HG23      ILE  18   7.565   1.776  -6.949
  130   HD11  ILE  18          HD11      ILE  18   3.346   1.178  -7.284
  131   HD12  ILE  18          HD12      ILE  18   2.927   1.821  -8.873
  132   HD13  ILE  18          HD13      ILE  18   4.106   2.660  -7.865
  133    H    ALA  19           HN       ALA  19   7.082  -1.517  -6.300
  134    HA   ALA  19           HA       ALA  19   9.551  -0.382  -5.366
  135    HB1  ALA  19           HB1      ALA  19   7.690  -0.830  -3.849
  136    HB2  ALA  19           HB2      ALA  19   9.132  -1.720  -3.373
  137    HB3  ALA  19           HB3      ALA  19   7.812  -2.555  -4.195
  138    H    GLY  20           HN       GLY  20   8.459  -3.410  -6.732
  139    HA2  GLY  20           HA2      GLY  20   9.740  -5.023  -7.826
  140    HA3  GLY  20           HA1      GLY  20  11.196  -4.190  -7.293
  141    H    ILE  21           HN       ILE  21   9.058  -4.607  -4.831
  142    HA   ILE  21           HA       ILE  21  10.752  -6.596  -3.559
  143    HB   ILE  21           HB       ILE  21   8.345  -5.057  -2.513
  144   HG12  ILE  21          HG12      ILE  21  10.221  -3.568  -2.946
  145   HG13  ILE  21          HG11      ILE  21   9.984  -3.745  -1.213
  146   HG21  ILE  21          HG21      ILE  21   8.965  -5.805  -0.270
  147   HG22  ILE  21          HG22      ILE  21  10.275  -6.764  -0.949
  148   HG23  ILE  21          HG23      ILE  21   8.604  -7.172  -1.323
  149   HD11  ILE  21          HD11      ILE  21  12.342  -3.746  -1.790
  150   HD12  ILE  21          HD12      ILE  21  12.097  -5.128  -2.858
  151   HD13  ILE  21          HD13      ILE  21  11.863  -5.306  -1.119
  152    HA   PRO  22           HA       PRO  22   8.445 -10.353  -4.500
  153    HB2  PRO  22           HB2      PRO  22   8.289 -10.800  -1.638
  154    HB3  PRO  22           HB1      PRO  22   9.199 -11.691  -2.860
  155    HG2  PRO  22           HG2      PRO  22  10.105  -9.539  -1.070
  156    HG3  PRO  22           HG1      PRO  22  11.061 -10.726  -1.975
  157    HD2  PRO  22           HD2      PRO  22  11.060  -8.130  -2.676
  158    HD3  PRO  22           HD1      PRO  22  11.075  -9.434  -3.898
  159    H    VAL  23           HN       VAL  23   6.506 -10.332  -5.065
  160    HA   VAL  23           HA       VAL  23   4.410  -8.732  -3.986
  161    HB   VAL  23           HB       VAL  23   4.711  -9.488  -6.330
  162   HG11  VAL  23          HG11      VAL  23   3.729 -12.148  -5.388
  163   HG12  VAL  23          HG12      VAL  23   5.301 -11.757  -6.085
  164   HG13  VAL  23          HG13      VAL  23   3.846 -11.651  -7.077
  165   HG21  VAL  23          HG21      VAL  23   2.319  -9.841  -6.846
  166   HG22  VAL  23          HG22      VAL  23   2.662  -8.503  -5.753
  167   HG23  VAL  23          HG23      VAL  23   2.016 -10.019  -5.108
  168    H    GLU  24           HN       GLU  24   5.730 -11.531  -3.202
  169    HA   GLU  24           HA       GLU  24   3.410 -12.757  -2.024
  170    HB2  GLU  24           HB2      GLU  24   6.224 -13.772  -2.264
  171    HB3  GLU  24           HB1      GLU  24   4.875 -14.693  -1.620
  172    HG2  GLU  24           HG2      GLU  24   3.820 -14.804  -3.704
  173    HG3  GLU  24           HG1      GLU  24   4.862 -13.551  -4.387
  174    H    ASP  25           HN       ASP  25   6.102 -10.831  -1.145
  175    HA   ASP  25           HA       ASP  25   6.220 -11.854   1.588
  176    HB2  ASP  25           HB2      ASP  25   8.319 -11.237   0.250
  177    HB3  ASP  25           HB1      ASP  25   7.827  -9.561   0.449
  178    H    VAL  26           HN       VAL  26   4.434  -9.868  -0.130
  179    HA   VAL  26           HA       VAL  26   4.098  -7.669   1.685
  180    HB   VAL  26           HB       VAL  26   2.548  -8.546  -0.786
  181   HG11  VAL  26          HG11      VAL  26   2.336  -5.955   0.754
  182   HG12  VAL  26          HG12      VAL  26   1.113  -7.245   0.703
  183   HG13  VAL  26          HG13      VAL  26   1.535  -6.368  -0.774
  184   HG21  VAL  26          HG21      VAL  26   4.826  -7.838  -1.238
  185   HG22  VAL  26          HG22      VAL  26   4.547  -6.348  -0.334
  186   HG23  VAL  26          HG23      VAL  26   3.675  -6.638  -1.837
  187    H    LYS  27           HN       LYS  27   3.870  -9.158   3.422
  188    HA   LYS  27           HA       LYS  27   1.269 -10.423   3.902
  189    HB2  LYS  27           HB2      LYS  27   3.455  -9.973   5.919
  190    HB3  LYS  27           HB1      LYS  27   2.211 -11.180   5.919
  191    HG2  LYS  27           HG2      LYS  27   3.214 -12.416   4.143
  192    HG3  LYS  27           HG1      LYS  27   4.416 -11.144   3.899
  193    HD2  LYS  27           HD2      LYS  27   5.346 -11.553   6.101
  194    HD3  LYS  27           HD1      LYS  27   4.114 -12.779   6.416
  195    HE2  LYS  27           HE2      LYS  27   4.954 -14.149   4.667
  196    HE3  LYS  27           HE1      LYS  27   6.099 -12.900   4.171
  197    HZ1  LYS  27           HZ1      LYS  27   6.185 -14.412   6.766
  198    HZ2  LYS  27           HZ2      LYS  27   7.177 -13.132   6.356
  199    HZ3  LYS  27           HZ3      LYS  27   7.270 -14.550   5.481
  200    H    LEU  28           HN       LEU  28   0.727  -9.746   6.419
  201    HA   LEU  28           HA       LEU  28   0.104  -6.894   6.084
  202    HB2  LEU  28           HB2      LEU  28  -1.220  -9.012   7.658
  203    HB3  LEU  28           HB1      LEU  28  -1.369  -7.363   8.219
  204    HG   LEU  28           HG       LEU  28  -2.229  -6.764   5.942
  205   HD11  LEU  28          HD11      LEU  28  -3.145  -8.480   4.557
  206   HD12  LEU  28          HD12      LEU  28  -2.444  -9.739   5.586
  207   HD13  LEU  28          HD13      LEU  28  -1.396  -8.628   4.683
  208   HD21  LEU  28          HD21      LEU  28  -3.792  -8.734   7.573
  209   HD22  LEU  28          HD22      LEU  28  -4.472  -7.595   6.397
  210   HD23  LEU  28          HD23      LEU  28  -3.648  -6.999   7.847
  211    H    ASP  29           HN       ASP  29   2.543  -8.294   7.561
  212    HA   ASP  29           HA       ASP  29   2.524  -6.386   9.809
  213    HB2  ASP  29           HB2      ASP  29   3.001  -8.764  10.348
  214    HB3  ASP  29           HB1      ASP  29   4.382  -8.733   9.263
  215    H    LYS  30           HN       LYS  30   3.141  -6.264   6.811
  216    HA   LYS  30           HA       LYS  30   5.886  -5.370   6.761
  217    HB2  LYS  30           HB2      LYS  30   3.829  -5.480   4.609
  218    HB3  LYS  30           HB1      LYS  30   5.512  -5.091   4.358
  219    HG2  LYS  30           HG2      LYS  30   4.462  -7.682   5.484
  220    HG3  LYS  30           HG1      LYS  30   5.026  -7.438   3.831
  221    HD2  LYS  30           HD2      LYS  30   7.267  -6.928   4.656
  222    HD3  LYS  30           HD1      LYS  30   6.677  -7.032   6.304
  223    HE2  LYS  30           HE2      LYS  30   6.306  -9.337   6.184
  224    HE3  LYS  30           HE1      LYS  30   6.433  -9.348   4.427
  225    HZ1  LYS  30           HZ1      LYS  30   8.377 -10.200   5.763
  226    HZ2  LYS  30           HZ2      LYS  30   8.747  -8.537   6.061
  227    HZ3  LYS  30           HZ3      LYS  30   8.626  -9.152   4.477
  228    H    SER  31           HN       SER  31   6.365  -3.363   7.428
  229    HA   SER  31           HA       SER  31   4.553  -1.184   7.183
  230    HB2  SER  31           HB2      SER  31   7.367  -1.390   8.198
  231    HB3  SER  31           HB1      SER  31   6.180  -0.105   8.451
  232    HG   SER  31           HG       SER  31   6.522  -2.237   9.952
  233    H    PHE  32           HN       PHE  32   5.779  -2.375   4.685
  234    HA   PHE  32           HA       PHE  32   6.775  -1.833   2.794
  235    HB2  PHE  32           HB2      PHE  32   5.718   0.828   3.646
  236    HB3  PHE  32           HB1      PHE  32   6.576   0.656   2.119
  237    HD1  PHE  32           HD1      PHE  32   5.706  -0.762   0.401
  238    HD2  PHE  32           HD2      PHE  32   3.510  -0.044   3.954
  239    HE1  PHE  32           HE1      PHE  32   3.660  -1.627  -0.686
  240    HE2  PHE  32           HE2      PHE  32   1.449  -0.909   2.858
  241    HZ   PHE  32           HZ       PHE  32   1.543  -1.672   0.545
  242    H    THR  33           HN       THR  33   7.959   1.334   3.440
  243    HA   THR  33           HA       THR  33  10.622   0.457   3.038
  244    HB   THR  33           HB       THR  33  10.884   3.031   3.688
  245    HG1  THR  33           HG1      THR  33   8.975   3.819   4.103
  246   HG21  THR  33          HG21      THR  33  11.342   2.036   1.471
  247   HG22  THR  33          HG22      THR  33  10.440   3.539   1.296
  248   HG23  THR  33          HG23      THR  33   9.623   1.994   1.125
  249    H    ASP  34           HN       ASP  34  10.495  -0.969   4.895
  250    HA   ASP  34           HA       ASP  34  12.010  -0.095   7.113
  251    HB2  ASP  34           HB2      ASP  34   9.881   0.818   7.897
  252    HB3  ASP  34           HB1      ASP  34   9.078  -0.712   7.574
  253    H    ASP  35           HN       ASP  35   9.426  -2.362   6.366
  254    HA   ASP  35           HA       ASP  35  11.102  -4.591   7.260
  255    HB2  ASP  35           HB2      ASP  35   8.562  -4.293   7.825
  256    HB3  ASP  35           HB1      ASP  35   8.307  -4.913   6.192
  257    H    LEU  36           HN       LEU  36   9.167  -3.656   4.437
  258    HA   LEU  36           HA       LEU  36  10.195  -5.677   2.702
  259    HB2  LEU  36           HB2      LEU  36   8.893  -3.029   2.028
  260    HB3  LEU  36           HB1      LEU  36   9.127  -4.342   0.906
  261    HG   LEU  36           HG       LEU  36   7.281  -4.342   3.302
  262   HD11  LEU  36          HD11      LEU  36   6.703  -4.239   0.354
  263   HD12  LEU  36          HD12      LEU  36   6.500  -2.918   1.505
  264   HD13  LEU  36          HD13      LEU  36   5.499  -4.366   1.636
  265   HD21  LEU  36          HD21      LEU  36   7.613  -6.437   1.154
  266   HD22  LEU  36          HD22      LEU  36   6.448  -6.439   2.492
  267   HD23  LEU  36          HD23      LEU  36   8.171  -6.582   2.826
  268    H    ASP  37           HN       ASP  37  10.619  -2.172   2.916
  269    HA   ASP  37           HA       ASP  37  12.321  -0.773   2.652
  270    HB2  ASP  37           HB2      ASP  37  13.679  -2.142   4.112
  271    HB3  ASP  37           HB1      ASP  37  14.078  -3.230   2.784
  272    H    VAL  38           HN       VAL  38  11.826   0.069   0.805
  273    HA   VAL  38           HA       VAL  38  13.197  -1.089  -1.444
  274    HB   VAL  38           HB       VAL  38  10.939  -1.486  -1.817
  275   HG11  VAL  38          HG11      VAL  38   9.893   0.026  -0.249
  276   HG12  VAL  38          HG12      VAL  38   9.128   0.134  -1.826
  277   HG13  VAL  38          HG13      VAL  38  10.211   1.411  -1.300
  278   HG21  VAL  38          HG21      VAL  38  12.131  -0.785  -3.787
  279   HG22  VAL  38          HG22      VAL  38  11.755   0.905  -3.451
  280   HG23  VAL  38          HG23      VAL  38  10.466  -0.217  -3.884
  281    H    ASP  39           HN       ASP  39  11.622   2.119  -1.233
  282    HA   ASP  39           HA       ASP  39  14.049   3.578  -1.381
  283    HB2  ASP  39           HB2      ASP  39  13.719   2.415  -3.764
  284    HB3  ASP  39           HB1      ASP  39  12.389   3.569  -3.878
  285    H    SER  40           HN       SER  40  13.111   5.760  -2.521
  286    HA   SER  40           HA       SER  40  10.921   6.533  -0.757
  287    HB2  SER  40           HB2      SER  40  13.023   7.793  -0.673
  288    HB3  SER  40           HB1      SER  40  12.871   8.164  -2.392
  289    H    LEU  41           HN       LEU  41  11.926   6.336  -4.054
  290    HA   LEU  41           HA       LEU  41   9.803   7.975  -5.107
  291    HB2  LEU  41           HB2      LEU  41  11.668   6.109  -6.575
  292    HB3  LEU  41           HB1      LEU  41  10.619   7.293  -7.322
  293    HG   LEU  41           HG       LEU  41  13.010   7.854  -5.579
  294   HD11  LEU  41          HD11      LEU  41  13.574   7.142  -7.824
  295   HD12  LEU  41          HD12      LEU  41  13.925   8.858  -7.607
  296   HD13  LEU  41          HD13      LEU  41  12.490   8.359  -8.502
  297   HD21  LEU  41          HD21      LEU  41  11.266   9.503  -5.151
  298   HD22  LEU  41          HD22      LEU  41  11.092   9.794  -6.882
  299   HD23  LEU  41          HD23      LEU  41  12.594  10.222  -6.061
  300    H    SER  42           HN       SER  42  10.453   4.595  -4.766
  301    HA   SER  42           HA       SER  42   8.202   3.718  -6.247
  302    HB2  SER  42           HB2      SER  42   9.862   2.243  -4.204
  303    HB3  SER  42           HB1      SER  42   8.800   1.526  -5.420
  304    HG   SER  42           HG       SER  42  10.243   2.976  -6.860
  305    H    MET  43           HN       MET  43   8.640   5.011  -3.175
  306    HA   MET  43           HA       MET  43   6.438   3.662  -1.922
  307    HB2  MET  43           HB2      MET  43   8.372   4.432  -0.632
  308    HB3  MET  43           HB1      MET  43   7.994   6.093  -1.065
  309    HG2  MET  43           HG2      MET  43   7.297   5.443   1.181
  310    HG3  MET  43           HG1      MET  43   5.956   6.018   0.162
  311    HE1  MET  43           HE1      MET  43   7.760   2.745  -0.244
  312    HE2  MET  43           HE2      MET  43   6.827   1.556   0.679
  313    HE3  MET  43           HE3      MET  43   7.782   2.785   1.519
  314    H    VAL  44           HN       VAL  44   7.148   6.826  -3.282
  315    HA   VAL  44           HA       VAL  44   4.652   7.964  -2.741
  316    HB   VAL  44           HB       VAL  44   6.634   8.647  -4.941
  317   HG11  VAL  44          HG11      VAL  44   4.413  10.315  -3.746
  318   HG12  VAL  44          HG12      VAL  44   4.429   9.624  -5.368
  319   HG13  VAL  44          HG13      VAL  44   5.597  10.870  -4.929
  320   HG21  VAL  44          HG21      VAL  44   7.453  10.363  -3.372
  321   HG22  VAL  44          HG22      VAL  44   7.654   8.736  -2.723
  322   HG23  VAL  44          HG23      VAL  44   6.348   9.753  -2.139
  323    H    GLU  45           HN       GLU  45   5.933   6.099  -5.539
  324    HA   GLU  45           HA       GLU  45   3.549   6.453  -6.987
  325    HB2  GLU  45           HB2      GLU  45   5.842   4.551  -7.368
  326    HB3  GLU  45           HB1      GLU  45   4.497   4.736  -8.490
  327    HG2  GLU  45           HG2      GLU  45   5.107   7.109  -8.758
  328    HG3  GLU  45           HG1      GLU  45   6.503   6.836  -7.720
  329    H    VAL  46           HN       VAL  46   4.624   4.065  -4.617
  330    HA   VAL  46           HA       VAL  46   2.652   2.152  -5.374
  331    HB   VAL  46           HB       VAL  46   4.738   1.794  -3.920
  332   HG11  VAL  46          HG11      VAL  46   4.461   3.338  -2.185
  333   HG12  VAL  46          HG12      VAL  46   4.462   1.711  -1.503
  334   HG13  VAL  46          HG13      VAL  46   2.945   2.591  -1.687
  335   HG21  VAL  46          HG21      VAL  46   3.787  -0.166  -2.755
  336   HG22  VAL  46          HG22      VAL  46   3.288  -0.035  -4.441
  337   HG23  VAL  46          HG23      VAL  46   2.176   0.430  -3.154
  338    H    VAL  47           HN       VAL  47   2.773   4.735  -3.185
  339    HA   VAL  47           HA       VAL  47   0.180   4.566  -2.030
  340    HB   VAL  47           HB       VAL  47   1.762   7.088  -2.685
  341   HG11  VAL  47          HG11      VAL  47  -0.551   6.709  -0.780
  342   HG12  VAL  47          HG12      VAL  47  -0.599   7.592  -2.306
  343   HG13  VAL  47          HG13      VAL  47   0.391   8.188  -0.975
  344   HG21  VAL  47          HG21      VAL  47   2.436   7.026  -0.331
  345   HG22  VAL  47          HG22      VAL  47   2.971   5.588  -1.202
  346   HG23  VAL  47          HG23      VAL  47   1.574   5.502  -0.127
  347    H    VAL  48           HN       VAL  48   1.219   6.749  -4.637
  348    HA   VAL  48           HA       VAL  48  -1.220   7.506  -5.669
  349    HB   VAL  48           HB       VAL  48   1.347   7.002  -7.213
  350   HG11  VAL  48          HG11      VAL  48  -0.554   7.065  -8.752
  351   HG12  VAL  48          HG12      VAL  48   0.439   8.513  -8.919
  352   HG13  VAL  48          HG13      VAL  48  -1.090   8.587  -8.040
  353   HG21  VAL  48          HG21      VAL  48   1.563   8.639  -5.426
  354   HG22  VAL  48          HG22      VAL  48   0.164   9.520  -6.040
  355   HG23  VAL  48          HG23      VAL  48   1.641   9.430  -7.000
  356    H    ALA  49           HN       ALA  49   0.579   4.580  -6.669
  357    HA   ALA  49           HA       ALA  49  -1.313   3.772  -8.585
  358    HB1  ALA  49           HB1      ALA  49   0.974   2.932  -8.542
  359    HB2  ALA  49           HB2      ALA  49  -0.214   1.631  -8.568
  360    HB3  ALA  49           HB3      ALA  49   0.611   2.046  -7.064
  361    H    ALA  50           HN       ALA  50  -1.108   3.171  -5.115
  362    HA   ALA  50           HA       ALA  50  -3.062   1.136  -5.007
  363    HB1  ALA  50           HB1      ALA  50  -2.391   3.204  -2.911
  364    HB2  ALA  50           HB2      ALA  50  -1.583   1.650  -3.113
  365    HB3  ALA  50           HB3      ALA  50  -3.281   1.705  -2.640
  366    H    GLU  51           HN       GLU  51  -3.236   4.643  -4.973
  367    HA   GLU  51           HA       GLU  51  -5.934   5.036  -4.430
  368    HB2  GLU  51           HB2      GLU  51  -4.367   6.566  -6.478
  369    HB3  GLU  51           HB1      GLU  51  -5.722   7.107  -5.518
  370    HG2  GLU  51           HG2      GLU  51  -4.268   7.049  -3.515
  371    HG3  GLU  51           HG1      GLU  51  -2.939   6.547  -4.559
  372    H    GLU  52           HN       GLU  52  -4.200   4.536  -7.406
  373    HA   GLU  52           HA       GLU  52  -6.465   4.786  -9.110
  374    HB2  GLU  52           HB2      GLU  52  -4.189   5.480  -9.676
  375    HB3  GLU  52           HB1      GLU  52  -3.664   3.815  -9.618
  376    HG2  GLU  52           HG2      GLU  52  -4.931   3.278 -11.556
  377    HG3  GLU  52           HG1      GLU  52  -5.701   4.870 -11.551
  378    H    ARG  53           HN       ARG  53  -4.854   2.145  -7.542
  379    HA   ARG  53           HA       ARG  53  -5.829   0.002  -9.183
  380    HB2  ARG  53           HB2      ARG  53  -3.794  -0.211  -7.844
  381    HB3  ARG  53           HB1      ARG  53  -4.705   0.064  -6.376
  382    HG2  ARG  53           HG2      ARG  53  -4.323  -2.226  -6.381
  383    HG3  ARG  53           HG1      ARG  53  -5.971  -2.082  -6.976
  384    HD2  ARG  53           HD2      ARG  53  -3.499  -2.509  -8.667
  385    HD3  ARG  53           HD1      ARG  53  -4.662  -3.746  -8.222
  386    HE   ARG  53           HE       ARG  53  -5.110  -1.507 -10.063
  387   HH11  ARG  53          HH11      ARG  53  -6.162  -4.669  -8.740
  388   HH12  ARG  53          HH12      ARG  53  -7.181  -4.994 -10.051
  389   HH21  ARG  53          HH21      ARG  53  -6.557  -2.007 -11.828
  390   HH22  ARG  53          HH22      ARG  53  -7.496  -3.417 -11.803
  391    H    PHE  54           HN       PHE  54  -6.722   1.473  -6.119
  392    HA   PHE  54           HA       PHE  54  -9.021  -0.314  -5.964
  393    HB2  PHE  54           HB2      PHE  54  -7.838   1.511  -3.887
  394    HB3  PHE  54           HB1      PHE  54  -9.170   0.388  -3.645
  395    HD1  PHE  54           HD1      PHE  54  -8.494  -2.092  -4.616
  396    HD2  PHE  54           HD2      PHE  54  -5.852   0.830  -3.014
  397    HE1  PHE  54           HE1      PHE  54  -6.878  -3.857  -4.057
  398    HE2  PHE  54           HE2      PHE  54  -4.257  -0.941  -2.429
  399    HZ   PHE  54           HZ       PHE  54  -4.752  -3.269  -3.002
  400    H    ASP  55           HN       ASP  55  -8.296   2.629  -7.110
  401    HA   ASP  55           HA       ASP  55  -9.433   4.334  -7.964
  402    HB2  ASP  55           HB2      ASP  55 -11.176   2.499  -8.467
  403    HB3  ASP  55           HB1      ASP  55 -12.058   3.119  -7.077
  404    H    VAL  56           HN       VAL  56  -9.175   3.725  -4.873
  405    HA   VAL  56           HA       VAL  56 -10.635   6.061  -3.907
  406    HB   VAL  56           HB       VAL  56 -11.146   4.146  -2.578
  407   HG11  VAL  56          HG11      VAL  56  -9.263   2.695  -3.113
  408   HG12  VAL  56          HG12      VAL  56  -9.466   2.818  -1.364
  409   HG13  VAL  56          HG13      VAL  56  -8.185   3.722  -2.170
  410   HG21  VAL  56          HG21      VAL  56 -10.891   6.182  -1.309
  411   HG22  VAL  56          HG22      VAL  56  -9.168   5.851  -1.088
  412   HG23  VAL  56          HG23      VAL  56 -10.371   4.791  -0.353
  413    H    LYS  57           HN       LYS  57  -9.591   7.799  -3.845
  414    HA   LYS  57           HA       LYS  57  -6.792   8.049  -4.132
  415    HB2  LYS  57           HB2      LYS  57  -8.872  10.075  -3.330
  416    HB3  LYS  57           HB1      LYS  57  -7.176  10.474  -3.554
  417    HG2  LYS  57           HG2      LYS  57  -8.915   9.242  -5.681
  418    HG3  LYS  57           HG1      LYS  57  -8.624  10.971  -5.513
  419    HD2  LYS  57           HD2      LYS  57  -6.432   8.931  -5.871
  420    HD3  LYS  57           HD1      LYS  57  -7.179   9.810  -7.208
  421    HE2  LYS  57           HE2      LYS  57  -6.444  11.928  -6.223
  422    HE3  LYS  57           HE1      LYS  57  -5.734  11.059  -4.864
  423    HZ1  LYS  57           HZ1      LYS  57  -4.108  11.701  -6.597
  424    HZ2  LYS  57           HZ2      LYS  57  -4.882  10.662  -7.690
  425    HZ3  LYS  57           HZ3      LYS  57  -4.145  10.051  -6.305
  426    H    ILE  58           HN       ILE  58  -5.584   7.183  -2.700
  427    HA   ILE  58           HA       ILE  58  -5.877   7.773   0.143
  428    HB   ILE  58           HB       ILE  58  -3.831   6.023  -1.255
  429   HG12  ILE  58          HG12      ILE  58  -6.368   5.109   0.112
  430   HG13  ILE  58          HG11      ILE  58  -6.179   5.240  -1.635
  431   HG21  ILE  58          HG21      ILE  58  -4.716   6.170   1.633
  432   HG22  ILE  58          HG22      ILE  58  -3.188   6.769   0.979
  433   HG23  ILE  58          HG23      ILE  58  -3.528   5.039   0.983
  434   HD11  ILE  58          HD11      ILE  58  -4.393   3.589  -1.562
  435   HD12  ILE  58          HD12      ILE  58  -5.895   2.963  -0.878
  436   HD13  ILE  58          HD13      ILE  58  -4.583   3.467   0.187
  437    HA   PRO  59           HA       PRO  59  -3.039  11.021  -1.262
  438    HB2  PRO  59           HB2      PRO  59  -3.336  12.045   1.460
  439    HB3  PRO  59           HB1      PRO  59  -3.733  12.812  -0.075
  440    HG2  PRO  59           HG2      PRO  59  -5.565  11.941   1.687
  441    HG3  PRO  59           HG1      PRO  59  -5.874  12.010  -0.067
  442    HD2  PRO  59           HD2      PRO  59  -5.246   9.689   1.693
  443    HD3  PRO  59           HD1      PRO  59  -6.294   9.772   0.259
  444    H    ASP  60           HN       ASP  60  -0.904  11.292  -0.945
  445    HA   ASP  60           HA       ASP  60   0.664   9.532   0.518
  446    HB2  ASP  60           HB2      ASP  60   2.539  11.093   0.067
  447    HB3  ASP  60           HB1      ASP  60   1.571  10.787  -1.368
  448    H    ASP  61           HN       ASP  61  -0.970  12.335   1.500
  449    HA   ASP  61           HA       ASP  61   0.627  12.633   3.888
  450    HB2  ASP  61           HB2      ASP  61  -0.427  14.627   2.781
  451    HB3  ASP  61           HB1      ASP  61  -1.987  14.047   3.369
  452    H    ASP  62           HN       ASP  62  -2.513  11.211   3.067
  453    HA   ASP  62           HA       ASP  62  -3.080  10.559   5.814
  454    HB2  ASP  62           HB2      ASP  62  -4.387   9.841   3.220
  455    HB3  ASP  62           HB1      ASP  62  -4.755   8.918   4.669
  456    H    VAL  63           HN       VAL  63  -1.557   9.040   3.143
  457    HA   VAL  63           HA       VAL  63  -1.602   6.428   4.086
  458    HB   VAL  63           HB       VAL  63  -0.857   7.390   1.804
  459   HG11  VAL  63          HG11      VAL  63   0.974   8.742   2.482
  460   HG12  VAL  63          HG12      VAL  63   1.539   7.465   1.404
  461   HG13  VAL  63          HG13      VAL  63   1.817   7.340   3.142
  462   HG21  VAL  63          HG21      VAL  63   0.521   5.022   2.999
  463   HG22  VAL  63          HG22      VAL  63   0.384   5.393   1.270
  464   HG23  VAL  63          HG23      VAL  63  -1.069   5.068   2.223
  465    H    LYS  64           HN       LYS  64   0.146   9.108   5.136
  466    HA   LYS  64           HA       LYS  64   2.373   7.999   6.357
  467    HB2  LYS  64           HB2      LYS  64   0.828  10.481   7.082
  468    HB3  LYS  64           HB1      LYS  64   2.431  10.079   7.681
  469    HG2  LYS  64           HG2      LYS  64   3.352  10.244   5.445
  470    HG3  LYS  64           HG1      LYS  64   1.746  10.496   4.769
  471    HD2  LYS  64           HD2      LYS  64   1.539  12.577   6.064
  472    HD3  LYS  64           HD1      LYS  64   3.169  12.335   6.695
  473    HE2  LYS  64           HE2      LYS  64   4.114  12.532   4.505
  474    HE3  LYS  64           HE1      LYS  64   2.521  12.540   3.757
  475    HZ1  LYS  64           HZ1      LYS  64   3.410  14.751   3.857
  476    HZ2  LYS  64           HZ2      LYS  64   3.623  14.660   5.538
  477    HZ3  LYS  64           HZ3      LYS  64   2.069  14.656   4.880
  478    H    ASN  65           HN       ASN  65  -1.000   8.234   7.511
  479    HA   ASN  65           HA       ASN  65  -0.086   7.416  10.155
  480    HB2  ASN  65           HB2      ASN  65  -2.224   7.907  11.056
  481    HB3  ASN  65           HB1      ASN  65  -2.012   9.119   9.808
  482   HD21  ASN  65          HD21      ASN  65  -4.426   8.052  11.076
  483   HD22  ASN  65          HD22      ASN  65  -5.410   7.457   9.783
  484    H    LEU  66           HN       LEU  66  -0.879   6.008   7.337
  485    HA   LEU  66           HA       LEU  66  -2.089   3.602   8.371
  486    HB2  LEU  66           HB2      LEU  66  -0.776   3.993   5.666
  487    HB3  LEU  66           HB1      LEU  66  -1.906   2.742   6.121
  488    HG   LEU  66           HG       LEU  66  -2.536   5.670   5.751
  489   HD11  LEU  66          HD11      LEU  66  -2.140   4.525   3.667
  490   HD12  LEU  66          HD12      LEU  66  -3.853   4.901   3.847
  491   HD13  LEU  66          HD13      LEU  66  -3.274   3.255   4.124
  492   HD21  LEU  66          HD21      LEU  66  -4.349   3.371   6.489
  493   HD22  LEU  66          HD22      LEU  66  -4.897   4.930   5.951
  494   HD23  LEU  66          HD23      LEU  66  -3.995   4.803   7.475
  495    H    LYS  67           HN       LYS  67   0.916   4.327   6.672
  496    HA   LYS  67           HA       LYS  67   3.006   3.709   6.831
  497    HB2  LYS  67           HB2      LYS  67   2.203   3.684   9.535
  498    HB3  LYS  67           HB1      LYS  67   3.213   2.277   9.310
  499    HG2  LYS  67           HG2      LYS  67   4.028   5.103   8.626
  500    HG3  LYS  67           HG1      LYS  67   4.424   4.293  10.134
  501    HD2  LYS  67           HD2      LYS  67   6.385   4.042   8.853
  502    HD3  LYS  67           HD1      LYS  67   5.561   2.502   8.619
  503    HE2  LYS  67           HE2      LYS  67   4.681   3.330   6.476
  504    HE3  LYS  67           HE1      LYS  67   5.554   4.846   6.708
  505    HZ1  LYS  67           HZ1      LYS  67   7.612   3.481   6.652
  506    HZ2  LYS  67           HZ2      LYS  67   6.674   3.459   5.241
  507    HZ3  LYS  67           HZ3      LYS  67   6.643   2.128   6.272
  508    H    THR  68           HN       THR  68   0.766   1.150   7.645
  509    HA   THR  68           HA       THR  68   2.690  -0.763   6.533
  510    HB   THR  68           HB       THR  68   1.309  -2.512   7.656
  511    HG1  THR  68           HG1      THR  68   0.334  -0.709   9.490
  512   HG21  THR  68          HG21      THR  68   2.259  -2.127   9.885
  513   HG22  THR  68          HG22      THR  68   2.619  -0.453   9.439
  514   HG23  THR  68          HG23      THR  68   3.419  -1.790   8.604
  515    H    VAL  69           HN       VAL  69   1.758  -2.595   5.523
  516    HA   VAL  69           HA       VAL  69  -0.025  -2.180   3.415
  517    HB   VAL  69           HB       VAL  69  -0.155  -4.787   3.529
  518   HG11  VAL  69          HG11      VAL  69   2.572  -3.479   3.382
  519   HG12  VAL  69          HG12      VAL  69   1.427  -3.586   2.044
  520   HG13  VAL  69          HG13      VAL  69   2.140  -5.051   2.715
  521   HG21  VAL  69          HG21      VAL  69   1.575  -5.796   4.913
  522   HG22  VAL  69          HG22      VAL  69   0.324  -4.998   5.861
  523   HG23  VAL  69          HG23      VAL  69   1.893  -4.221   5.634
  524    H    GLY  70           HN       GLY  70  -0.426  -3.644   6.597
  525    HA2  GLY  70           HA2      GLY  70  -3.089  -4.425   6.394
  526    HA3  GLY  70           HA1      GLY  70  -2.240  -4.134   7.911
  527    H    ASP  71           HN       ASP  71  -1.727  -1.416   7.841
  528    HA   ASP  71           HA       ASP  71  -4.312  -0.395   8.322
  529    HB2  ASP  71           HB2      ASP  71  -1.585   0.759   8.459
  530    HB3  ASP  71           HB1      ASP  71  -2.945   1.865   8.385
  531    H    ALA  72           HN       ALA  72  -2.188  -0.232   5.559
  532    HA   ALA  72           HA       ALA  72  -3.550   1.773   4.157
  533    HB1  ALA  72           HB1      ALA  72  -2.637   0.753   2.112
  534    HB2  ALA  72           HB2      ALA  72  -2.201  -0.693   3.026
  535    HB3  ALA  72           HB3      ALA  72  -1.406   0.844   3.372
  536    H    THR  73           HN       THR  73  -3.914  -1.785   3.755
  537    HA   THR  73           HA       THR  73  -6.249  -2.000   2.475
  538    HB   THR  73           HB       THR  73  -5.303  -3.570   4.862
  539    HG1  THR  73           HG1      THR  73  -3.699  -3.741   3.457
  540   HG21  THR  73          HG21      THR  73  -7.609  -4.109   4.242
  541   HG22  THR  73          HG22      THR  73  -6.537  -5.444   3.787
  542   HG23  THR  73          HG23      THR  73  -7.126  -4.307   2.564
  543    H    LYS  74           HN       LYS  74  -5.927  -1.648   5.987
  544    HA   LYS  74           HA       LYS  74  -8.514  -1.664   6.902
  545    HB2  LYS  74           HB2      LYS  74  -6.556  -1.679   8.265
  546    HB3  LYS  74           HB1      LYS  74  -6.076  -0.110   7.680
  547    HG2  LYS  74           HG2      LYS  74  -7.932   0.896   8.932
  548    HG3  LYS  74           HG1      LYS  74  -8.367  -0.720   9.534
  549    HD2  LYS  74           HD2      LYS  74  -6.228  -1.017  10.509
  550    HD3  LYS  74           HD1      LYS  74  -5.618   0.461   9.788
  551    HE2  LYS  74           HE2      LYS  74  -7.214   1.735  11.199
  552    HE3  LYS  74           HE1      LYS  74  -7.681   0.213  11.971
  553    HZ1  LYS  74           HZ1      LYS  74  -5.438  -0.096  12.737
  554    HZ2  LYS  74           HZ2      LYS  74  -5.915   1.467  13.211
  555    HZ3  LYS  74           HZ3      LYS  74  -4.904   1.244  11.873
  556    H    TYR  75           HN       TYR  75  -6.684   1.052   5.560
  557    HA   TYR  75           HA       TYR  75  -8.681   3.072   5.947
  558    HB2  TYR  75           HB2      TYR  75  -6.305   3.641   5.690
  559    HB3  TYR  75           HB1      TYR  75  -6.291   2.942   4.083
  560    HD1  TYR  75           HD2      TYR  75  -7.321   4.166   2.196
  561    HD2  TYR  75           HD1      TYR  75  -7.217   5.883   6.105
  562    HE1  TYR  75           HE2      TYR  75  -7.879   6.376   1.255
  563    HE2  TYR  75           HE1      TYR  75  -7.773   8.067   5.161
  564    HH   TYR  75           HH       TYR  75  -8.745   8.510   1.890
  565    H    ILE  76           HN       ILE  76  -7.563   1.134   3.261
  566    HA   ILE  76           HA       ILE  76  -9.250   2.138   1.321
  567    HB   ILE  76           HB       ILE  76  -7.917  -0.581   1.472
  568   HG12  ILE  76          HG12      ILE  76  -6.970   1.925   0.093
  569   HG13  ILE  76          HG11      ILE  76  -6.466   1.460   1.712
  570   HG21  ILE  76          HG21      ILE  76  -8.090  -0.571  -0.979
  571   HG22  ILE  76          HG22      ILE  76  -8.944   0.968  -0.915
  572   HG23  ILE  76          HG23      ILE  76  -9.690  -0.480  -0.239
  573   HD11  ILE  76          HD11      ILE  76  -4.813   0.851   0.058
  574   HD12  ILE  76          HD12      ILE  76  -6.015  -0.125  -0.796
  575   HD13  ILE  76          HD13      ILE  76  -5.502  -0.577   0.833
  576    H    LEU  77           HN       LEU  77  -9.507  -0.693   3.407
  577    HA   LEU  77           HA       LEU  77 -11.869  -1.814   2.429
  578    HB2  LEU  77           HB2      LEU  77 -10.338  -2.879   4.042
  579    HB3  LEU  77           HB1      LEU  77 -10.857  -1.746   5.272
  580    HG   LEU  77           HG       LEU  77 -13.158  -2.695   5.069
  581   HD11  LEU  77          HD11      LEU  77 -13.010  -3.610   2.851
  582   HD12  LEU  77          HD12      LEU  77 -13.431  -4.867   4.016
  583   HD13  LEU  77          HD13      LEU  77 -11.787  -4.763   3.386
  584   HD21  LEU  77          HD21      LEU  77 -11.658  -3.351   6.863
  585   HD22  LEU  77          HD22      LEU  77 -10.960  -4.605   5.837
  586   HD23  LEU  77          HD23      LEU  77 -12.644  -4.717   6.342
  587    H    ASP  78           HN       ASP  78 -11.322   0.814   4.553
  588    HA   ASP  78           HA       ASP  78 -14.181   1.125   5.192
  589    HB2  ASP  78           HB2      ASP  78 -12.643   1.610   7.002
  590    HB3  ASP  78           HB1      ASP  78 -11.789   2.788   6.016
  591    H    HIS  79           HN       HIS  79 -11.788   2.644   3.228
  592    HA   HIS  79           HA       HIS  79 -13.549   4.822   2.445
  593    HB2  HIS  79           HB2      HIS  79 -10.656   4.307   2.268
  594    HB3  HIS  79           HB1      HIS  79 -11.298   5.441   1.110
  595    HD1  HIS  79           HD1      HIS  79 -11.579   7.806   1.978
  596    HD2  HIS  79           HD2      HIS  79 -11.118   5.027   5.037
  597    HE1  HIS  79           HE1      HIS  79 -11.382   9.144   4.086
  598    HE2  HIS  79           HE2      HIS  79 -11.343   7.448   5.929
  599    H    GLN  80           HN       GLN  80 -13.316   1.859   1.445
  600    HA   GLN  80           HA       GLN  80 -12.942   1.348  -1.114
  601    HB2  GLN  80           HB2      GLN  80 -15.265   0.736   0.579
  602    HB3  GLN  80           HB1      GLN  80 -15.208   0.082  -1.070
  603    HG2  GLN  80           HG2      GLN  80 -13.242  -0.331   1.167
  604    HG3  GLN  80           HG1      GLN  80 -14.444  -1.495   0.612
  605   HE21  GLN  80          HE21      GLN  80 -11.518  -1.531   0.732
  606   HE22  GLN  80          HE22      GLN  80 -10.978  -1.947  -0.854
  607    H    ALA  81           HN       ALA  81 -13.498   1.920  -3.052
  608    HA   ALA  81           HA       ALA  81 -15.532   3.968  -3.427
  609    HB1  ALA  81           HB1      ALA  81 -14.437   4.326  -5.605
  610    HB2  ALA  81           HB2      ALA  81 -13.301   3.025  -5.246
  611    HB3  ALA  81           HB3      ALA  81 -13.290   4.498  -4.277
  612    H2   SHW 101           H2A      SHW 101   2.546   5.589   4.258
  613    H2A  SHW 101           H2B      SHW 101   3.624   5.577   2.856
  614    H3   SHW 101           H3A      SHW 101   3.785   3.710   5.253
  615    HO3  SHW 101           HO3      SHW 101   5.131   3.544   2.738
  616    H4   SHW 101           H4A      SHW 101   1.769   3.257   4.016
  617    H4A  SHW 101           H4B      SHW 101   2.930   1.970   3.751
  618    H5   SHW 101           H5A      SHW 101   3.455   2.818   1.561
  619    H5A  SHW 101           H5B      SHW 101   2.385   4.202   1.812
  620    H6   SHW 101           H6A      SHW 101   0.487   2.649   2.075
  621    H6A  SHW 101           H6B      SHW 101   1.570   1.299   1.737
  622    H7   SHW 101           H7A      SHW 101   2.026   2.188  -0.484
  623    H7A  SHW 101           H7B      SHW 101   0.977   3.579  -0.145
  624    H8   SHW 101           H8C      SHW 101   0.145   0.682  -0.182
  625    H8A  SHW 101           H8A      SHW 101  -0.185   1.866  -1.445
  626    H8B  SHW 101           H8B      SHW 101  -0.910   2.053   0.152
  627    H28  SHW 101          H28A      SHW 101  10.075  12.232  -1.861
  628   H28A  SHW 101          H28B      SHW 101   9.438  10.706  -1.239
  629    H30  SHW 101          H30A      SHW 101   8.893  14.367   0.825
  630   H30A  SHW 101          H30B      SHW 101   9.613  14.295  -0.784
  631   H30B  SHW 101          H30C      SHW 101  10.515  13.709   0.611
  632    H31  SHW 101          H31A      SHW 101   7.162  11.556  -0.867
  633   H31A  SHW 101          H31B      SHW 101   7.650  13.074  -1.620
  634   H31B  SHW 101          H31C      SHW 101   6.903  13.083  -0.024
  635    H32  SHW 101          H32A      SHW 101   9.752  11.675   1.880
  636   HO33  SHW 101          H33A      SHW 101   7.156  11.633   2.244
  637   HN36  SHW 101          H36A      SHW 101  10.097   9.704   0.640
  638    H37  SHW 101          H37A      SHW 101   7.885   7.744   0.922
  639   H37A  SHW 101          H37B      SHW 101   9.067   7.707  -0.374
  640    H38  SHW 101          H38A      SHW 101   9.638   6.024   1.196
  641   H38A  SHW 101          H38B      SHW 101  10.866   7.297   1.306
  642   HN41  SHW 101          H41A      SHW 101   7.957   8.233   2.695
  643    H42  SHW 101          H42A      SHW 101   8.588   7.213   5.346
  644   H42A  SHW 101          H42B      SHW 101   8.373   8.954   5.067
  645    H43  SHW 101          H43A      SHW 101   6.116   8.582   4.352
  646   H43A  SHW 101          H43B      SHW 101   6.313   7.785   5.935
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1 -17.715  -2.315   0.170
    2    H2   ALA   1           HT2      ALA   1 -16.703  -1.521  -0.884
    3    H3   ALA   1           HT3      ALA   1 -17.066  -0.787   0.593
    4    HA   ALA   1           HA       ALA   1 -14.878  -1.695   0.697
    5    HB1  ALA   1           HB1      ALA   1 -16.234  -2.040   2.709
    6    HB2  ALA   1           HB2      ALA   1 -15.105  -3.373   2.462
    7    HB3  ALA   1           HB3      ALA   1 -16.811  -3.573   2.056
    8    H    ALA   2           HN       ALA   2 -13.671  -3.904   0.770
    9    HA   ALA   2           HA       ALA   2 -14.663  -5.717  -1.287
   10    HB1  ALA   2           HB1      ALA   2 -11.861  -4.578  -1.157
   11    HB2  ALA   2           HB2      ALA   2 -13.070  -4.209  -2.388
   12    HB3  ALA   2           HB3      ALA   2 -12.405  -5.839  -2.266
   13    H    THR   3           HN       THR   3 -12.641  -7.544  -1.239
   14    HA   THR   3           HA       THR   3 -12.766  -8.515   1.467
   15    HB   THR   3           HB       THR   3 -11.699 -10.549   0.321
   16    HG1  THR   3           HG1      THR   3 -11.239 -10.429  -1.720
   17   HG21  THR   3          HG21      THR   3 -14.101 -10.427   0.789
   18   HG22  THR   3          HG22      THR   3 -13.800 -11.243  -0.742
   19   HG23  THR   3          HG23      THR   3 -14.360  -9.567  -0.730
   20    H    GLN   4           HN       GLN   4 -11.127  -8.197   2.818
   21    HA   GLN   4           HA       GLN   4  -9.019  -6.527   2.495
   22    HB2  GLN   4           HB2      GLN   4  -9.083  -8.906   4.337
   23    HB3  GLN   4           HB1      GLN   4  -7.904  -7.610   4.429
   24    HG2  GLN   4           HG2      GLN   4  -9.742  -6.011   4.806
   25    HG3  GLN   4           HG1      GLN   4 -10.870  -7.361   4.793
   26   HE21  GLN   4          HE21      GLN   4  -8.321  -5.804   6.525
   27   HE22  GLN   4          HE22      GLN   4  -8.524  -6.605   8.024
   28    H    GLU   5           HN       GLU   5  -8.917  -9.946   1.718
   29    HA   GLU   5           HA       GLU   5  -6.078 -10.039   1.397
   30    HB2  GLU   5           HB2      GLU   5  -8.185 -11.923   0.358
   31    HB3  GLU   5           HB1      GLU   5  -6.466 -12.168   0.121
   32    HG2  GLU   5           HG2      GLU   5  -6.240 -12.141   2.624
   33    HG3  GLU   5           HG1      GLU   5  -8.004 -12.188   2.693
   34    H    GLU   6           HN       GLU   6  -8.688  -9.196  -0.695
   35    HA   GLU   6           HA       GLU   6  -7.208  -9.385  -3.127
   36    HB2  GLU   6           HB2      GLU   6  -9.728  -9.457  -2.893
   37    HB3  GLU   6           HB1      GLU   6  -9.672  -7.742  -2.542
   38    HG2  GLU   6           HG2      GLU   6 -10.289  -8.119  -4.838
   39    HG3  GLU   6           HG1      GLU   6  -8.713  -7.327  -4.748
   40    H    ILE   7           HN       ILE   7  -7.917  -7.019  -0.722
   41    HA   ILE   7           HA       ILE   7  -6.933  -4.718  -2.007
   42    HB   ILE   7           HB       ILE   7  -6.999  -5.331   0.939
   43   HG12  ILE   7          HG12      ILE   7  -9.264  -4.455  -0.889
   44   HG13  ILE   7          HG11      ILE   7  -9.138  -5.891   0.075
   45   HG21  ILE   7          HG21      ILE   7  -7.215  -2.741  -0.617
   46   HG22  ILE   7          HG22      ILE   7  -5.813  -3.279   0.308
   47   HG23  ILE   7          HG23      ILE   7  -7.317  -2.882   1.138
   48   HD11  ILE   7          HD11      ILE   7  -9.359  -3.124   1.212
   49   HD12  ILE   7          HD12      ILE   7  -9.294  -4.635   2.121
   50   HD13  ILE   7          HD13      ILE   7 -10.670  -4.297   1.071
   51    H    VAL   8           HN       VAL   8  -5.567  -6.752   0.571
   52    HA   VAL   8           HA       VAL   8  -3.000  -5.787   0.582
   53    HB   VAL   8           HB       VAL   8  -4.075  -8.545   1.214
   54   HG11  VAL   8          HG11      VAL   8  -1.964  -8.979   2.386
   55   HG12  VAL   8          HG12      VAL   8  -1.298  -7.463   1.759
   56   HG13  VAL   8          HG13      VAL   8  -1.720  -8.778   0.653
   57   HG21  VAL   8          HG21      VAL   8  -3.813  -7.750   3.523
   58   HG22  VAL   8          HG22      VAL   8  -4.847  -6.662   2.581
   59   HG23  VAL   8          HG23      VAL   8  -3.190  -6.221   2.905
   60    H    ALA   9           HN       ALA   9  -4.380  -8.316  -1.497
   61    HA   ALA   9           HA       ALA   9  -1.970  -8.996  -2.851
   62    HB1  ALA   9           HB1      ALA   9  -3.973 -10.432  -2.938
   63    HB2  ALA   9           HB2      ALA   9  -3.398 -10.019  -4.554
   64    HB3  ALA   9           HB3      ALA   9  -4.805  -9.198  -3.885
   65    H    GLY  10           HN       GLY  10  -4.366  -6.516  -3.340
   66    HA2  GLY  10           HA2      GLY  10  -3.477  -5.560  -5.850
   67    HA3  GLY  10           HA1      GLY  10  -4.415  -4.664  -4.652
   68    H    LEU  11           HN       LEU  11  -2.799  -4.682  -2.526
   69    HA   LEU  11           HA       LEU  11  -0.951  -2.625  -2.974
   70    HB2  LEU  11           HB2      LEU  11  -0.978  -4.679  -0.767
   71    HB3  LEU  11           HB1      LEU  11  -0.053  -3.196  -0.760
   72    HG   LEU  11           HG       LEU  11  -3.064  -3.373  -0.741
   73   HD11  LEU  11          HD11      LEU  11  -2.852  -2.617   1.568
   74   HD12  LEU  11          HD12      LEU  11  -1.094  -2.702   1.436
   75   HD13  LEU  11          HD13      LEU  11  -2.061  -4.173   1.327
   76   HD21  LEU  11          HD21      LEU  11  -2.218  -1.354  -1.829
   77   HD22  LEU  11          HD22      LEU  11  -1.210  -1.020  -0.418
   78   HD23  LEU  11          HD23      LEU  11  -2.965  -0.986  -0.275
   79    H    ALA  12           HN       ALA  12  -0.519  -6.068  -2.489
   80    HA   ALA  12           HA       ALA  12   2.203  -6.329  -2.684
   81    HB1  ALA  12           HB1      ALA  12   1.777  -8.642  -3.245
   82    HB2  ALA  12           HB2      ALA  12   0.106  -8.246  -3.654
   83    HB3  ALA  12           HB3      ALA  12   0.670  -8.085  -1.990
   84    H    GLU  13           HN       GLU  13  -0.168  -6.370  -5.319
   85    HA   GLU  13           HA       GLU  13   1.868  -6.816  -7.251
   86    HB2  GLU  13           HB2      GLU  13   0.241  -6.312  -9.033
   87    HB3  GLU  13           HB1      GLU  13  -0.368  -7.490  -7.888
   88    HG2  GLU  13           HG2      GLU  13  -1.803  -5.873  -6.898
   89    HG3  GLU  13           HG1      GLU  13  -1.064  -4.572  -7.829
   90    H    ILE  14           HN       ILE  14   0.437  -3.933  -6.062
   91    HA   ILE  14           HA       ILE  14   1.648  -2.105  -7.808
   92    HB   ILE  14           HB       ILE  14   0.816  -1.883  -4.907
   93   HG12  ILE  14          HG12      ILE  14  -0.523  -0.823  -7.381
   94   HG13  ILE  14          HG11      ILE  14  -0.879  -2.402  -6.681
   95   HG21  ILE  14          HG21      ILE  14   2.475  -0.164  -5.393
   96   HG22  ILE  14          HG22      ILE  14   0.871   0.541  -5.197
   97   HG23  ILE  14          HG23      ILE  14   1.555   0.337  -6.813
   98   HD11  ILE  14          HD11      ILE  14  -2.465  -0.736  -6.017
   99   HD12  ILE  14          HD12      ILE  14  -1.159   0.232  -5.288
  100   HD13  ILE  14          HD13      ILE  14  -1.542  -1.392  -4.659
  101    H    VAL  15           HN       VAL  15   2.629  -3.358  -4.647
  102    HA   VAL  15           HA       VAL  15   5.107  -2.104  -4.427
  103    HB   VAL  15           HB       VAL  15   4.232  -4.795  -3.343
  104   HG11  VAL  15          HG11      VAL  15   6.676  -4.643  -3.324
  105   HG12  VAL  15          HG12      VAL  15   6.033  -4.554  -1.683
  106   HG13  VAL  15          HG13      VAL  15   6.580  -3.086  -2.500
  107   HG21  VAL  15          HG21      VAL  15   2.865  -2.963  -2.581
  108   HG22  VAL  15          HG22      VAL  15   4.304  -2.076  -2.074
  109   HG23  VAL  15          HG23      VAL  15   3.862  -3.579  -1.264
  110    H    ASN  16           HN       ASN  16   4.333  -5.302  -5.767
  111    HA   ASN  16           HA       ASN  16   6.989  -5.942  -6.445
  112    HB2  ASN  16           HB2      ASN  16   5.090  -7.553  -6.324
  113    HB3  ASN  16           HB1      ASN  16   4.493  -6.895  -7.840
  114   HD21  ASN  16          HD21      ASN  16   7.061  -8.633  -6.319
  115   HD22  ASN  16          HD22      ASN  16   7.672  -9.420  -7.730
  116    H    GLU  17           HN       GLU  17   4.569  -4.113  -8.108
  117    HA   GLU  17           HA       GLU  17   5.833  -4.018 -10.668
  118    HB2  GLU  17           HB2      GLU  17   3.385  -3.679 -10.148
  119    HB3  GLU  17           HB1      GLU  17   3.811  -2.120  -9.474
  120    HG2  GLU  17           HG2      GLU  17   2.942  -1.821 -11.654
  121    HG3  GLU  17           HG1      GLU  17   4.669  -1.456 -11.696
  122    H    ILE  18           HN       ILE  18   5.674  -1.841  -7.881
  123    HA   ILE  18           HA       ILE  18   7.362   0.143  -9.223
  124    HB   ILE  18           HB       ILE  18   5.809   0.321  -6.623
  125   HG12  ILE  18          HG12      ILE  18   5.247   1.559  -9.269
  126   HG13  ILE  18          HG11      ILE  18   4.516   0.007  -8.812
  127   HG21  ILE  18          HG21      ILE  18   7.738   1.835  -6.765
  128   HG22  ILE  18          HG22      ILE  18   6.194   2.680  -6.818
  129   HG23  ILE  18          HG23      ILE  18   7.123   2.448  -8.304
  130   HD11  ILE  18          HD11      ILE  18   2.992   1.843  -8.494
  131   HD12  ILE  18          HD12      ILE  18   4.183   2.693  -7.507
  132   HD13  ILE  18          HD13      ILE  18   3.462   1.192  -6.926
  133    H    ALA  19           HN       ALA  19   7.262  -1.483  -6.044
  134    HA   ALA  19           HA       ALA  19   9.853  -0.547  -5.218
  135    HB1  ALA  19           HB1      ALA  19   8.127  -1.084  -3.597
  136    HB2  ALA  19           HB2      ALA  19   9.541  -2.110  -3.357
  137    HB3  ALA  19           HB3      ALA  19   8.105  -2.759  -4.148
  138    H    GLY  20           HN       GLY  20   8.424  -3.488  -6.519
  139    HA2  GLY  20           HA2      GLY  20   9.490  -5.041  -7.953
  140    HA3  GLY  20           HA1      GLY  20  11.053  -4.468  -7.382
  141    H    ILE  21           HN       ILE  21   9.044  -4.789  -4.847
  142    HA   ILE  21           HA       ILE  21  10.499  -7.051  -3.799
  143    HB   ILE  21           HB       ILE  21   8.327  -5.337  -2.549
  144   HG12  ILE  21          HG12      ILE  21  10.270  -3.987  -3.081
  145   HG13  ILE  21          HG11      ILE  21  10.170  -4.210  -1.342
  146   HG21  ILE  21          HG21      ILE  21   8.458  -7.465  -1.395
  147   HG22  ILE  21          HG22      ILE  21   9.089  -6.173  -0.374
  148   HG23  ILE  21          HG23      ILE  21  10.199  -7.272  -1.193
  149   HD11  ILE  21          HD11      ILE  21  11.925  -5.915  -1.471
  150   HD12  ILE  21          HD12      ILE  21  12.463  -4.369  -2.126
  151   HD13  ILE  21          HD13      ILE  21  12.018  -5.679  -3.218
  152    HA   PRO  22           HA       PRO  22   7.806 -10.563  -4.734
  153    HB2  PRO  22           HB2      PRO  22   7.870 -11.149  -1.936
  154    HB3  PRO  22           HB1      PRO  22   8.627 -12.025  -3.267
  155    HG2  PRO  22           HG2      PRO  22   9.801 -10.038  -1.440
  156    HG3  PRO  22           HG1      PRO  22  10.610 -11.232  -2.474
  157    HD2  PRO  22           HD2      PRO  22  10.739  -8.617  -3.053
  158    HD3  PRO  22           HD1      PRO  22  10.546  -9.854  -4.327
  159    H    VAL  23           HN       VAL  23   5.879 -10.676  -5.032
  160    HA   VAL  23           HA       VAL  23   3.832  -9.037  -4.028
  161    HB   VAL  23           HB       VAL  23   3.621 -11.842  -5.189
  162   HG11  VAL  23          HG11      VAL  23   1.551  -9.656  -5.072
  163   HG12  VAL  23          HG12      VAL  23   1.544 -11.158  -4.146
  164   HG13  VAL  23          HG13      VAL  23   1.371 -11.203  -5.901
  165   HG21  VAL  23          HG21      VAL  23   3.255 -10.747  -7.352
  166   HG22  VAL  23          HG22      VAL  23   4.851 -10.393  -6.688
  167   HG23  VAL  23          HG23      VAL  23   3.573  -9.184  -6.600
  168    H    GLU  24           HN       GLU  24   5.103 -12.120  -3.099
  169    HA   GLU  24           HA       GLU  24   3.114 -12.229  -1.108
  170    HB2  GLU  24           HB2      GLU  24   3.726 -14.630  -0.744
  171    HB3  GLU  24           HB1      GLU  24   3.015 -14.195  -2.288
  172    HG2  GLU  24           HG2      GLU  24   5.135 -14.339  -3.371
  173    HG3  GLU  24           HG1      GLU  24   5.953 -14.591  -1.825
  174    H    ASP  25           HN       ASP  25   5.941 -10.828  -0.999
  175    HA   ASP  25           HA       ASP  25   6.546 -11.838   1.697
  176    HB2  ASP  25           HB2      ASP  25   8.457 -11.011   0.141
  177    HB3  ASP  25           HB1      ASP  25   7.820  -9.392   0.387
  178    H    VAL  26           HN       VAL  26   4.600  -9.857   0.069
  179    HA   VAL  26           HA       VAL  26   4.137  -7.790   2.008
  180    HB   VAL  26           HB       VAL  26   2.889  -8.476  -0.685
  181   HG11  VAL  26          HG11      VAL  26   2.111  -6.153   1.095
  182   HG12  VAL  26          HG12      VAL  26   1.120  -7.587   0.745
  183   HG13  VAL  26          HG13      VAL  26   1.557  -6.489  -0.561
  184   HG21  VAL  26          HG21      VAL  26   5.084  -7.425  -0.719
  185   HG22  VAL  26          HG22      VAL  26   4.471  -6.113   0.296
  186   HG23  VAL  26          HG23      VAL  26   3.846  -6.323  -1.333
  187    H    LYS  27           HN       LYS  27   3.798  -9.242   3.642
  188    HA   LYS  27           HA       LYS  27   1.224 -10.635   3.908
  189    HB2  LYS  27           HB2      LYS  27   3.399 -10.163   5.969
  190    HB3  LYS  27           HB1      LYS  27   2.110 -11.341   6.037
  191    HG2  LYS  27           HG2      LYS  27   4.234 -11.407   3.918
  192    HG3  LYS  27           HG1      LYS  27   4.378 -12.287   5.453
  193    HD2  LYS  27           HD2      LYS  27   2.292 -13.489   4.877
  194    HD3  LYS  27           HD1      LYS  27   2.230 -12.606   3.349
  195    HE2  LYS  27           HE2      LYS  27   4.378 -13.560   2.703
  196    HE3  LYS  27           HE1      LYS  27   4.458 -14.424   4.236
  197    HZ1  LYS  27           HZ1      LYS  27   3.677 -15.747   2.275
  198    HZ2  LYS  27           HZ2      LYS  27   2.260 -14.828   2.281
  199    HZ3  LYS  27           HZ3      LYS  27   2.656 -15.781   3.614
  200    H    LEU  28           HN       LEU  28   0.766  -9.913   6.676
  201    HA   LEU  28           HA       LEU  28   0.116  -7.044   6.328
  202    HB2  LEU  28           HB2      LEU  28  -1.313  -9.229   7.738
  203    HB3  LEU  28           HB1      LEU  28  -1.462  -7.596   8.359
  204    HG   LEU  28           HG       LEU  28  -2.319  -6.918   6.102
  205   HD11  LEU  28          HD11      LEU  28  -3.146  -8.607   4.609
  206   HD12  LEU  28          HD12      LEU  28  -2.423  -9.877   5.606
  207   HD13  LEU  28          HD13      LEU  28  -1.395  -8.695   4.774
  208   HD21  LEU  28          HD21      LEU  28  -3.859  -9.036   7.568
  209   HD22  LEU  28          HD22      LEU  28  -4.542  -7.841   6.454
  210   HD23  LEU  28          HD23      LEU  28  -3.785  -7.320   7.965
  211    H    ASP  29           HN       ASP  29   2.464  -8.480   7.475
  212    HA   ASP  29           HA       ASP  29   2.604  -6.996  10.020
  213    HB2  ASP  29           HB2      ASP  29   4.297  -9.232   8.945
  214    HB3  ASP  29           HB1      ASP  29   4.456  -8.448  10.512
  215    H    LYS  30           HN       LYS  30   2.980  -6.318   7.102
  216    HA   LYS  30           HA       LYS  30   5.844  -5.767   7.026
  217    HB2  LYS  30           HB2      LYS  30   3.814  -6.073   4.880
  218    HB3  LYS  30           HB1      LYS  30   5.470  -5.566   4.612
  219    HG2  LYS  30           HG2      LYS  30   4.690  -8.145   5.960
  220    HG3  LYS  30           HG1      LYS  30   5.028  -8.009   4.235
  221    HD2  LYS  30           HD2      LYS  30   7.303  -7.256   4.731
  222    HD3  LYS  30           HD1      LYS  30   6.944  -7.307   6.451
  223    HE2  LYS  30           HE2      LYS  30   6.816  -9.642   6.499
  224    HE3  LYS  30           HE1      LYS  30   6.633  -9.757   4.750
  225    HZ1  LYS  30           HZ1      LYS  30   8.884 -10.357   5.701
  226    HZ2  LYS  30           HZ2      LYS  30   9.099  -8.686   5.971
  227    HZ3  LYS  30           HZ3      LYS  30   8.818  -9.276   4.405
  228    H    SER  31           HN       SER  31   6.388  -3.759   7.525
  229    HA   SER  31           HA       SER  31   4.748  -1.559   6.751
  230    HB2  SER  31           HB2      SER  31   7.527  -1.718   7.908
  231    HB3  SER  31           HB1      SER  31   6.415  -0.346   7.927
  232    HG   SER  31           HG       SER  31   6.263  -2.793   9.316
  233    H    PHE  32           HN       PHE  32   4.858  -1.136   4.601
  234    HA   PHE  32           HA       PHE  32   6.386  -1.835   2.575
  235    HB2  PHE  32           HB2      PHE  32   5.360   0.909   3.127
  236    HB3  PHE  32           HB1      PHE  32   6.011   0.471   1.565
  237    HD1  PHE  32           HD1      PHE  32   4.832  -1.359   0.290
  238    HD2  PHE  32           HD2      PHE  32   3.236   0.411   3.778
  239    HE1  PHE  32           HE1      PHE  32   2.609  -2.213  -0.321
  240    HE2  PHE  32           HE2      PHE  32   0.983  -0.436   3.175
  241    HZ   PHE  32           HZ       PHE  32   0.676  -1.716   1.112
  242    H    THR  33           HN       THR  33   7.257   1.482   3.545
  243    HA   THR  33           HA       THR  33   9.929   0.831   2.871
  244    HB   THR  33           HB       THR  33  10.180   3.349   3.731
  245    HG1  THR  33           HG1      THR  33   8.283   4.305   3.901
  246   HG21  THR  33          HG21      THR  33   9.759   3.938   1.366
  247   HG22  THR  33          HG22      THR  33   8.979   2.369   1.143
  248   HG23  THR  33          HG23      THR  33  10.675   2.443   1.528
  249    H    ASP  34           HN       ASP  34   9.693  -0.786   4.684
  250    HA   ASP  34           HA       ASP  34  11.671   0.002   6.620
  251    HB2  ASP  34           HB2      ASP  34   9.683   0.656   7.826
  252    HB3  ASP  34           HB1      ASP  34   8.953  -0.913   7.512
  253    H    ASP  35           HN       ASP  35   9.249  -2.580   6.236
  254    HA   ASP  35           HA       ASP  35  11.338  -4.545   6.789
  255    HB2  ASP  35           HB2      ASP  35   8.872  -4.564   7.750
  256    HB3  ASP  35           HB1      ASP  35   8.505  -5.298   6.198
  257    H    LEU  36           HN       LEU  36   8.965  -3.747   4.318
  258    HA   LEU  36           HA       LEU  36   9.770  -5.780   2.484
  259    HB2  LEU  36           HB2      LEU  36   8.335  -3.165   1.982
  260    HB3  LEU  36           HB1      LEU  36   8.500  -4.457   0.813
  261    HG   LEU  36           HG       LEU  36   6.996  -4.682   3.422
  262   HD11  LEU  36          HD11      LEU  36   6.000  -4.358   0.592
  263   HD12  LEU  36          HD12      LEU  36   5.898  -3.151   1.874
  264   HD13  LEU  36          HD13      LEU  36   5.000  -4.664   2.011
  265   HD21  LEU  36          HD21      LEU  36   6.167  -6.766   2.486
  266   HD22  LEU  36          HD22      LEU  36   7.925  -6.799   2.632
  267   HD23  LEU  36          HD23      LEU  36   7.173  -6.542   1.055
  268    H    ASP  37           HN       ASP  37  10.501  -2.425   2.957
  269    HA   ASP  37           HA       ASP  37  12.159  -1.068   2.416
  270    HB2  ASP  37           HB2      ASP  37  13.715  -2.936   3.090
  271    HB3  ASP  37           HB1      ASP  37  13.745  -3.455   1.408
  272    H    VAL  38           HN       VAL  38  10.917  -0.095   1.056
  273    HA   VAL  38           HA       VAL  38  10.818  -0.926  -1.716
  274    HB   VAL  38           HB       VAL  38   9.337   1.263  -0.196
  275   HG11  VAL  38          HG11      VAL  38   8.848   0.269  -2.999
  276   HG12  VAL  38          HG12      VAL  38   9.497   1.849  -2.560
  277   HG13  VAL  38          HG13      VAL  38   7.846   1.420  -2.115
  278   HG21  VAL  38          HG21      VAL  38   8.720  -0.962   0.527
  279   HG22  VAL  38          HG22      VAL  38   8.414  -1.443  -1.143
  280   HG23  VAL  38          HG23      VAL  38   7.399  -0.222  -0.380
  281    H    ASP  39           HN       ASP  39  10.758   2.404  -0.640
  282    HA   ASP  39           HA       ASP  39  13.219   3.472  -0.905
  283    HB2  ASP  39           HB2      ASP  39  12.984   2.545  -3.451
  284    HB3  ASP  39           HB1      ASP  39  11.743   3.815  -3.452
  285    H    SER  40           HN       SER  40  12.666   5.856  -1.836
  286    HA   SER  40           HA       SER  40  10.261   6.501  -0.294
  287    HB2  SER  40           HB2      SER  40  12.388   7.602   0.383
  288    HB3  SER  40           HB1      SER  40  12.446   8.391  -1.201
  289    H    LEU  41           HN       LEU  41  11.754   6.830  -3.370
  290    HA   LEU  41           HA       LEU  41   9.718   8.603  -4.450
  291    HB2  LEU  41           HB2      LEU  41  11.976   7.098  -5.773
  292    HB3  LEU  41           HB1      LEU  41  10.893   8.179  -6.621
  293    HG   LEU  41           HG       LEU  41  12.747   9.025  -4.392
  294   HD11  LEU  41          HD11      LEU  41  14.073  10.056  -6.169
  295   HD12  LEU  41          HD12      LEU  41  12.999   9.359  -7.381
  296   HD13  LEU  41          HD13      LEU  41  13.989   8.306  -6.371
  297   HD21  LEU  41          HD21      LEU  41  10.746  10.414  -4.613
  298   HD22  LEU  41          HD22      LEU  41  11.073  10.616  -6.335
  299   HD23  LEU  41          HD23      LEU  41  12.185  11.283  -5.140
  300    H    SER  42           HN       SER  42  10.564   5.316  -4.360
  301    HA   SER  42           HA       SER  42   8.701   4.339  -6.243
  302    HB2  SER  42           HB2      SER  42  10.795   3.150  -5.479
  303    HB3  SER  42           HB1      SER  42  10.031   2.943  -3.908
  304    HG   SER  42           HG       SER  42   9.808   1.448  -6.097
  305    H    MET  43           HN       MET  43   8.721   5.033  -2.790
  306    HA   MET  43           HA       MET  43   6.320   3.766  -2.075
  307    HB2  MET  43           HB2      MET  43   7.976   4.530  -0.469
  308    HB3  MET  43           HB1      MET  43   7.590   6.200  -0.866
  309    HG2  MET  43           HG2      MET  43   6.541   5.371   1.197
  310    HG3  MET  43           HG1      MET  43   5.404   5.987  -0.015
  311    HE1  MET  43           HE1      MET  43   6.268   1.497   0.206
  312    HE2  MET  43           HE2      MET  43   7.097   2.637   1.278
  313    HE3  MET  43           HE3      MET  43   7.291   2.781  -0.461
  314    H    VAL  44           HN       VAL  44   7.061   7.078  -3.132
  315    HA   VAL  44           HA       VAL  44   4.508   8.156  -2.912
  316    HB   VAL  44           HB       VAL  44   6.667   8.870  -4.935
  317   HG11  VAL  44          HG11      VAL  44   4.314  10.500  -3.961
  318   HG12  VAL  44          HG12      VAL  44   4.500   9.798  -5.568
  319   HG13  VAL  44          HG13      VAL  44   5.594  11.071  -5.035
  320   HG21  VAL  44          HG21      VAL  44   7.484   9.002  -2.649
  321   HG22  VAL  44          HG22      VAL  44   6.105   9.991  -2.190
  322   HG23  VAL  44          HG23      VAL  44   7.301  10.620  -3.328
  323    H    GLU  45           HN       GLU  45   6.038   6.238  -5.502
  324    HA   GLU  45           HA       GLU  45   3.908   6.540  -7.324
  325    HB2  GLU  45           HB2      GLU  45   5.954   4.352  -7.063
  326    HB3  GLU  45           HB1      GLU  45   4.887   4.576  -8.438
  327    HG2  GLU  45           HG2      GLU  45   6.001   6.733  -8.876
  328    HG3  GLU  45           HG1      GLU  45   7.100   6.396  -7.536
  329    H    VAL  46           HN       VAL  46   4.745   4.126  -4.880
  330    HA   VAL  46           HA       VAL  46   2.644   2.324  -5.287
  331    HB   VAL  46           HB       VAL  46   4.017   3.065  -2.656
  332   HG11  VAL  46          HG11      VAL  46   2.360   0.629  -3.317
  333   HG12  VAL  46          HG12      VAL  46   1.892   1.933  -2.228
  334   HG13  VAL  46          HG13      VAL  46   3.257   0.892  -1.821
  335   HG21  VAL  46          HG21      VAL  46   4.541   0.802  -4.582
  336   HG22  VAL  46          HG22      VAL  46   5.349   1.046  -3.033
  337   HG23  VAL  46          HG23      VAL  46   5.565   2.217  -4.332
  338    H    VAL  47           HN       VAL  47   2.787   5.121  -3.129
  339    HA   VAL  47           HA       VAL  47   0.226   5.129  -2.105
  340    HB   VAL  47           HB       VAL  47   1.959   7.503  -2.901
  341   HG11  VAL  47          HG11      VAL  47  -0.445   7.472  -1.078
  342   HG12  VAL  47          HG12      VAL  47  -0.388   8.198  -2.676
  343   HG13  VAL  47          HG13      VAL  47   0.611   8.853  -1.375
  344   HG21  VAL  47          HG21      VAL  47   2.983   6.046  -1.258
  345   HG22  VAL  47          HG22      VAL  47   1.541   6.152  -0.245
  346   HG23  VAL  47          HG23      VAL  47   2.526   7.585  -0.531
  347    H    VAL  48           HN       VAL  48   1.249   7.097  -4.882
  348    HA   VAL  48           HA       VAL  48  -1.262   7.807  -5.842
  349    HB   VAL  48           HB       VAL  48   1.251   7.329  -7.489
  350   HG11  VAL  48          HG11      VAL  48  -0.726   7.395  -8.934
  351   HG12  VAL  48          HG12      VAL  48   0.255   8.843  -9.148
  352   HG13  VAL  48          HG13      VAL  48  -1.226   8.914  -8.195
  353   HG21  VAL  48          HG21      VAL  48   0.129   9.841  -6.246
  354   HG22  VAL  48          HG22      VAL  48   1.551   9.758  -7.289
  355   HG23  VAL  48          HG23      VAL  48   1.564   8.961  -5.714
  356    H    ALA  49           HN       ALA  49   0.571   4.873  -6.747
  357    HA   ALA  49           HA       ALA  49  -1.269   3.986  -8.696
  358    HB1  ALA  49           HB1      ALA  49   1.041   3.170  -8.588
  359    HB2  ALA  49           HB2      ALA  49  -0.129   1.847  -8.614
  360    HB3  ALA  49           HB3      ALA  49   0.654   2.306  -7.100
  361    H    ALA  50           HN       ALA  50  -1.164   3.511  -5.214
  362    HA   ALA  50           HA       ALA  50  -2.999   1.421  -5.016
  363    HB1  ALA  50           HB1      ALA  50  -2.576   3.703  -3.091
  364    HB2  ALA  50           HB2      ALA  50  -1.655   2.198  -3.125
  365    HB3  ALA  50           HB3      ALA  50  -3.370   2.175  -2.715
  366    H    GLU  51           HN       GLU  51  -3.442   4.899  -5.260
  367    HA   GLU  51           HA       GLU  51  -6.195   5.053  -4.795
  368    HB2  GLU  51           HB2      GLU  51  -4.646   6.779  -6.686
  369    HB3  GLU  51           HB1      GLU  51  -6.103   7.160  -5.793
  370    HG2  GLU  51           HG2      GLU  51  -4.837   7.108  -3.723
  371    HG3  GLU  51           HG1      GLU  51  -3.364   6.775  -4.626
  372    H    GLU  52           HN       GLU  52  -4.306   4.270  -7.567
  373    HA   GLU  52           HA       GLU  52  -6.492   4.561  -9.421
  374    HB2  GLU  52           HB2      GLU  52  -4.040   4.990  -9.860
  375    HB3  GLU  52           HB1      GLU  52  -3.837   3.245  -9.837
  376    HG2  GLU  52           HG2      GLU  52  -4.008   3.966 -12.096
  377    HG3  GLU  52           HG1      GLU  52  -5.490   3.101 -11.684
  378    H    ARG  53           HN       ARG  53  -4.714   2.030  -7.782
  379    HA   ARG  53           HA       ARG  53  -5.692  -0.213  -9.200
  380    HB2  ARG  53           HB2      ARG  53  -3.589  -0.203  -7.976
  381    HB3  ARG  53           HB1      ARG  53  -4.434   0.093  -6.476
  382    HG2  ARG  53           HG2      ARG  53  -3.730  -2.189  -6.522
  383    HG3  ARG  53           HG1      ARG  53  -5.480  -2.160  -6.685
  384    HD2  ARG  53           HD2      ARG  53  -3.654  -2.319  -9.056
  385    HD3  ARG  53           HD1      ARG  53  -4.135  -3.761  -8.176
  386    HE   ARG  53           HE       ARG  53  -6.403  -2.239  -8.887
  387   HH11  ARG  53          HH11      ARG  53  -3.965  -4.428 -10.309
  388   HH12  ARG  53          HH12      ARG  53  -4.953  -4.941 -11.569
  389   HH21  ARG  53          HH21      ARG  53  -7.780  -2.957 -10.654
  390   HH22  ARG  53          HH22      ARG  53  -7.174  -4.081 -11.786
  391    H    PHE  54           HN       PHE  54  -6.599   1.465  -6.267
  392    HA   PHE  54           HA       PHE  54  -8.798  -0.422  -5.889
  393    HB2  PHE  54           HB2      PHE  54  -7.515   1.494  -3.970
  394    HB3  PHE  54           HB1      PHE  54  -8.846   0.409  -3.603
  395    HD1  PHE  54           HD1      PHE  54  -8.252  -2.139  -4.452
  396    HD2  PHE  54           HD2      PHE  54  -5.491   0.831  -3.167
  397    HE1  PHE  54           HE1      PHE  54  -6.641  -3.885  -3.850
  398    HE2  PHE  54           HE2      PHE  54  -3.893  -0.944  -2.534
  399    HZ   PHE  54           HZ       PHE  54  -4.468  -3.277  -2.912
  400    H    ASP  55           HN       ASP  55  -8.251   2.553  -7.213
  401    HA   ASP  55           HA       ASP  55  -9.563   4.172  -8.010
  402    HB2  ASP  55           HB2      ASP  55 -11.253   2.562  -8.572
  403    HB3  ASP  55           HB1      ASP  55 -11.808   2.472  -6.909
  404    H    VAL  56           HN       VAL  56  -9.313   3.593  -4.765
  405    HA   VAL  56           HA       VAL  56 -10.746   6.003  -3.993
  406    HB   VAL  56           HB       VAL  56 -11.221   4.025  -2.672
  407   HG11  VAL  56          HG11      VAL  56  -9.161   2.787  -2.867
  408   HG12  VAL  56          HG12      VAL  56  -9.589   2.991  -1.168
  409   HG13  VAL  56          HG13      VAL  56  -8.316   3.984  -1.882
  410   HG21  VAL  56          HG21      VAL  56 -11.426   6.127  -1.565
  411   HG22  VAL  56          HG22      VAL  56  -9.717   6.115  -1.112
  412   HG23  VAL  56          HG23      VAL  56 -10.832   4.933  -0.414
  413    H    LYS  57           HN       LYS  57  -9.793   7.790  -3.614
  414    HA   LYS  57           HA       LYS  57  -6.990   8.116  -4.106
  415    HB2  LYS  57           HB2      LYS  57  -9.044  10.121  -3.137
  416    HB3  LYS  57           HB1      LYS  57  -7.429  10.506  -3.714
  417    HG2  LYS  57           HG2      LYS  57  -9.566   9.189  -5.383
  418    HG3  LYS  57           HG1      LYS  57  -9.221  10.917  -5.376
  419    HD2  LYS  57           HD2      LYS  57  -7.152   8.831  -6.023
  420    HD3  LYS  57           HD1      LYS  57  -8.177   9.569  -7.253
  421    HE2  LYS  57           HE2      LYS  57  -7.303  11.765  -6.705
  422    HE3  LYS  57           HE1      LYS  57  -6.354  11.086  -5.385
  423    HZ1  LYS  57           HZ1      LYS  57  -5.970  10.221  -8.205
  424    HZ2  LYS  57           HZ2      LYS  57  -4.930  10.011  -6.878
  425    HZ3  LYS  57           HZ3      LYS  57  -5.157  11.543  -7.534
  426    H    ILE  58           HN       ILE  58  -5.408   8.160  -2.730
  427    HA   ILE  58           HA       ILE  58  -5.888   8.546   0.108
  428    HB   ILE  58           HB       ILE  58  -4.060   6.353  -0.934
  429   HG12  ILE  58          HG12      ILE  58  -6.834   5.980   0.235
  430   HG13  ILE  58          HG11      ILE  58  -6.429   5.777  -1.462
  431   HG21  ILE  58          HG21      ILE  58  -5.142   6.983   1.817
  432   HG22  ILE  58          HG22      ILE  58  -3.491   7.256   1.260
  433   HG23  ILE  58          HG23      ILE  58  -4.105   5.612   1.427
  434   HD11  ILE  58          HD11      ILE  58  -6.591   3.637  -0.343
  435   HD12  ILE  58          HD12      ILE  58  -5.362   4.129   0.819
  436   HD13  ILE  58          HD13      ILE  58  -4.937   3.928  -0.883
  437    HA   PRO  59           HA       PRO  59  -2.422  10.968  -1.565
  438    HB2  PRO  59           HB2      PRO  59  -2.683  13.048   0.148
  439    HB3  PRO  59           HB1      PRO  59  -3.667  12.890  -1.311
  440    HG2  PRO  59           HG2      PRO  59  -4.371  12.254   1.524
  441    HG3  PRO  59           HG1      PRO  59  -5.359  13.021   0.268
  442    HD2  PRO  59           HD2      PRO  59  -5.574  10.398   0.975
  443    HD3  PRO  59           HD1      PRO  59  -5.969  11.011  -0.642
  444    H    ASP  60           HN       ASP  60  -0.351  11.388  -0.718
  445    HA   ASP  60           HA       ASP  60   0.932   9.881   1.098
  446    HB2  ASP  60           HB2      ASP  60   2.266  11.282  -0.212
  447    HB3  ASP  60           HB1      ASP  60   1.384  12.728   0.262
  448    H    ASP  61           HN       ASP  61  -0.825  12.774   1.778
  449    HA   ASP  61           HA       ASP  61  -0.046  13.269   4.425
  450    HB2  ASP  61           HB2      ASP  61  -2.697  13.985   3.177
  451    HB3  ASP  61           HB1      ASP  61  -1.864  14.825   4.484
  452    H    ASP  62           HN       ASP  62  -2.704  11.335   3.133
  453    HA   ASP  62           HA       ASP  62  -3.610  10.542   5.812
  454    HB2  ASP  62           HB2      ASP  62  -4.577   9.891   3.024
  455    HB3  ASP  62           HB1      ASP  62  -5.094   8.927   4.393
  456    H    VAL  63           HN       VAL  63  -1.857   9.349   3.155
  457    HA   VAL  63           HA       VAL  63  -1.507   6.703   3.858
  458    HB   VAL  63           HB       VAL  63  -0.210   8.683   2.139
  459   HG11  VAL  63          HG11      VAL  63   1.300   6.188   2.915
  460   HG12  VAL  63          HG12      VAL  63   1.813   7.848   3.242
  461   HG13  VAL  63          HG13      VAL  63   1.728   7.257   1.580
  462   HG21  VAL  63          HG21      VAL  63  -0.368   6.869   0.507
  463   HG22  VAL  63          HG22      VAL  63  -1.896   7.217   1.318
  464   HG23  VAL  63          HG23      VAL  63  -0.948   5.803   1.786
  465    H    LYS  64           HN       LYS  64  -0.070   9.557   5.194
  466    HA   LYS  64           HA       LYS  64   2.119   8.543   6.516
  467    HB2  LYS  64           HB2      LYS  64   0.265  10.696   7.520
  468    HB3  LYS  64           HB1      LYS  64   1.870  10.374   8.135
  469    HG2  LYS  64           HG2      LYS  64   1.157  11.396   5.397
  470    HG3  LYS  64           HG1      LYS  64   1.869  12.321   6.714
  471    HD2  LYS  64           HD2      LYS  64   3.817  10.657   6.565
  472    HD3  LYS  64           HD1      LYS  64   3.108  10.171   5.018
  473    HE2  LYS  64           HE2      LYS  64   3.074  12.675   4.481
  474    HE3  LYS  64           HE1      LYS  64   4.185  12.845   5.833
  475    HZ1  LYS  64           HZ1      LYS  64   4.550  11.353   3.327
  476    HZ2  LYS  64           HZ2      LYS  64   5.694  11.229   4.585
  477    HZ3  LYS  64           HZ3      LYS  64   5.379  12.709   3.816
  478    H    ASN  65           HN       ASN  65  -1.250   8.211   7.254
  479    HA   ASN  65           HA       ASN  65  -0.852   7.477  10.034
  480    HB2  ASN  65           HB2      ASN  65  -2.844   8.777   8.997
  481    HB3  ASN  65           HB1      ASN  65  -3.399   7.210   8.442
  482   HD21  ASN  65          HD21      ASN  65  -4.703   9.014  10.194
  483   HD22  ASN  65          HD22      ASN  65  -4.930   8.226  11.716
  484    H    LEU  66           HN       LEU  66  -0.650   5.943   7.042
  485    HA   LEU  66           HA       LEU  66  -1.921   3.488   7.785
  486    HB2  LEU  66           HB2      LEU  66  -0.067   3.939   5.475
  487    HB3  LEU  66           HB1      LEU  66  -1.137   2.576   5.808
  488    HG   LEU  66           HG       LEU  66  -2.003   5.407   5.168
  489   HD11  LEU  66          HD11      LEU  66  -2.144   2.922   3.491
  490   HD12  LEU  66          HD12      LEU  66  -1.097   4.318   3.223
  491   HD13  LEU  66          HD13      LEU  66  -2.845   4.487   3.075
  492   HD21  LEU  66          HD21      LEU  66  -3.662   2.924   5.586
  493   HD22  LEU  66          HD22      LEU  66  -4.275   4.486   5.054
  494   HD23  LEU  66          HD23      LEU  66  -3.582   4.315   6.666
  495    H    LYS  67           HN       LYS  67   1.429   4.272   6.971
  496    HA   LYS  67           HA       LYS  67   3.337   3.351   7.360
  497    HB2  LYS  67           HB2      LYS  67   4.020   2.850   9.765
  498    HB3  LYS  67           HB1      LYS  67   3.396   4.449   9.432
  499    HG2  LYS  67           HG2      LYS  67   2.582   3.679  11.559
  500    HG3  LYS  67           HG1      LYS  67   1.234   3.760  10.427
  501    HD2  LYS  67           HD2      LYS  67   1.586   1.294  10.030
  502    HD3  LYS  67           HD1      LYS  67   2.706   1.317  11.393
  503    HE2  LYS  67           HE2      LYS  67   0.372   0.605  11.871
  504    HE3  LYS  67           HE1      LYS  67   0.958   1.936  12.911
  505    HZ1  LYS  67           HZ1      LYS  67  -0.392   3.439  11.548
  506    HZ2  LYS  67           HZ2      LYS  67  -1.344   2.161  12.077
  507    HZ3  LYS  67           HZ3      LYS  67  -0.741   2.161  10.498
  508    H    THR  68           HN       THR  68   0.898   1.068   7.573
  509    HA   THR  68           HA       THR  68   2.886  -0.923   6.834
  510    HB   THR  68           HB       THR  68   1.435  -2.677   7.945
  511    HG1  THR  68           HG1      THR  68   0.090  -2.122   9.521
  512   HG21  THR  68          HG21      THR  68   2.490  -2.459  10.148
  513   HG22  THR  68          HG22      THR  68   2.969  -0.801   9.745
  514   HG23  THR  68          HG23      THR  68   3.616  -2.170   8.828
  515    H    VAL  69           HN       VAL  69   1.874  -2.810   5.859
  516    HA   VAL  69           HA       VAL  69   0.157  -2.312   3.698
  517    HB   VAL  69           HB       VAL  69  -0.059  -4.896   3.739
  518   HG11  VAL  69          HG11      VAL  69   2.714  -3.666   3.732
  519   HG12  VAL  69          HG12      VAL  69   1.614  -3.711   2.350
  520   HG13  VAL  69          HG13      VAL  69   2.268  -5.210   3.006
  521   HG21  VAL  69          HG21      VAL  69   1.555  -6.021   5.175
  522   HG22  VAL  69          HG22      VAL  69   0.313  -5.173   6.096
  523   HG23  VAL  69          HG23      VAL  69   1.929  -4.479   5.944
  524    H    GLY  70           HN       GLY  70  -0.420  -3.797   6.831
  525    HA2  GLY  70           HA2      GLY  70  -3.073  -4.522   6.491
  526    HA3  GLY  70           HA1      GLY  70  -2.333  -4.204   8.060
  527    H    ASP  71           HN       ASP  71  -1.783  -1.483   7.849
  528    HA   ASP  71           HA       ASP  71  -4.383  -0.397   8.200
  529    HB2  ASP  71           HB2      ASP  71  -1.664   0.813   8.302
  530    HB3  ASP  71           HB1      ASP  71  -3.074   1.857   8.215
  531    H    ALA  72           HN       ALA  72  -2.053  -0.250   5.581
  532    HA   ALA  72           HA       ALA  72  -3.305   1.653   3.981
  533    HB1  ALA  72           HB1      ALA  72  -2.317   0.463   2.055
  534    HB2  ALA  72           HB2      ALA  72  -1.979  -0.922   3.088
  535    HB3  ALA  72           HB3      ALA  72  -1.157   0.614   3.375
  536    H    THR  73           HN       THR  73  -3.735  -1.907   3.722
  537    HA   THR  73           HA       THR  73  -6.026  -2.167   2.410
  538    HB   THR  73           HB       THR  73  -5.235  -3.604   4.934
  539    HG1  THR  73           HG1      THR  73  -3.531  -3.850   3.626
  540   HG21  THR  73          HG21      THR  73  -7.506  -4.117   4.189
  541   HG22  THR  73          HG22      THR  73  -6.449  -5.508   3.879
  542   HG23  THR  73          HG23      THR  73  -6.916  -4.412   2.564
  543    H    LYS  74           HN       LYS  74  -5.841  -1.653   5.982
  544    HA   LYS  74           HA       LYS  74  -8.527  -1.647   6.608
  545    HB2  LYS  74           HB2      LYS  74  -6.919  -1.613   8.373
  546    HB3  LYS  74           HB1      LYS  74  -6.213  -0.117   7.793
  547    HG2  LYS  74           HG2      LYS  74  -7.476   0.265   9.822
  548    HG3  LYS  74           HG1      LYS  74  -8.227   1.097   8.467
  549    HD2  LYS  74           HD2      LYS  74  -9.842  -0.779   8.282
  550    HD3  LYS  74           HD1      LYS  74  -9.129  -1.484   9.740
  551    HE2  LYS  74           HE2      LYS  74  -9.675   0.545  10.984
  552    HE3  LYS  74           HE1      LYS  74 -10.383   1.251   9.537
  553    HZ1  LYS  74           HZ1      LYS  74 -11.345  -1.161  10.973
  554    HZ2  LYS  74           HZ2      LYS  74 -12.045  -0.547   9.552
  555    HZ3  LYS  74           HZ3      LYS  74 -12.054   0.371  10.974
  556    H    TYR  75           HN       TYR  75  -6.612   1.010   5.345
  557    HA   TYR  75           HA       TYR  75  -8.615   3.013   5.651
  558    HB2  TYR  75           HB2      TYR  75  -6.130   3.447   5.384
  559    HB3  TYR  75           HB1      TYR  75  -6.302   2.991   3.694
  560    HD1  TYR  75           HD2      TYR  75  -7.518   4.425   2.148
  561    HD2  TYR  75           HD1      TYR  75  -6.917   5.619   6.185
  562    HE1  TYR  75           HE2      TYR  75  -8.103   6.728   1.553
  563    HE2  TYR  75           HE1      TYR  75  -7.505   7.933   5.586
  564    HH   TYR  75           HH       TYR  75  -8.815   8.741   2.475
  565    H    ILE  76           HN       ILE  76  -7.325   1.244   2.938
  566    HA   ILE  76           HA       ILE  76  -9.029   2.006   0.927
  567    HB   ILE  76           HB       ILE  76  -7.714  -0.677   1.369
  568   HG12  ILE  76          HG12      ILE  76  -6.765   1.666  -0.272
  569   HG13  ILE  76          HG11      ILE  76  -6.307   1.429   1.410
  570   HG21  ILE  76          HG21      ILE  76  -8.761   0.630  -1.163
  571   HG22  ILE  76          HG22      ILE  76  -9.480  -0.765  -0.359
  572   HG23  ILE  76          HG23      ILE  76  -7.879  -0.898  -1.088
  573   HD11  ILE  76          HD11      ILE  76  -4.594   0.641  -0.101
  574   HD12  ILE  76          HD12      ILE  76  -5.758  -0.461  -0.850
  575   HD13  ILE  76          HD13      ILE  76  -5.288  -0.685   0.837
  576    H    LEU  77           HN       LEU  77  -9.274  -0.842   3.011
  577    HA   LEU  77           HA       LEU  77 -11.603  -2.038   2.125
  578    HB2  LEU  77           HB2      LEU  77 -10.147  -3.001   3.810
  579    HB3  LEU  77           HB1      LEU  77 -10.573  -1.740   4.944
  580    HG   LEU  77           HG       LEU  77 -12.908  -2.625   4.943
  581   HD11  LEU  77          HD11      LEU  77 -11.683  -4.893   3.405
  582   HD12  LEU  77          HD12      LEU  77 -12.895  -3.755   2.816
  583   HD13  LEU  77          HD13      LEU  77 -13.298  -4.876   4.117
  584   HD21  LEU  77          HD21      LEU  77 -12.389  -4.539   6.375
  585   HD22  LEU  77          HD22      LEU  77 -11.338  -3.165   6.717
  586   HD23  LEU  77          HD23      LEU  77 -10.730  -4.529   5.780
  587    H    ASP  78           HN       ASP  78 -11.267   0.494   4.490
  588    HA   ASP  78           HA       ASP  78 -14.135   0.608   4.980
  589    HB2  ASP  78           HB2      ASP  78 -12.615   0.828   6.863
  590    HB3  ASP  78           HB1      ASP  78 -11.875   2.245   6.133
  591    H    HIS  79           HN       HIS  79 -11.763   2.486   3.284
  592    HA   HIS  79           HA       HIS  79 -13.567   4.773   3.004
  593    HB2  HIS  79           HB2      HIS  79 -10.683   4.323   2.631
  594    HB3  HIS  79           HB1      HIS  79 -11.348   5.725   1.870
  595    HD1  HIS  79           HD1      HIS  79 -11.834   7.693   3.431
  596    HD2  HIS  79           HD2      HIS  79 -10.700   4.264   5.464
  597    HE1  HIS  79           HE1      HIS  79 -11.233   8.448   5.747
  598    HE2  HIS  79           HE2      HIS  79 -10.295   6.417   6.845
  599    H    GLN  80           HN       GLN  80 -12.915   2.054   1.131
  600    HA   GLN  80           HA       GLN  80 -12.568   3.348  -1.374
  601    HB2  GLN  80           HB2      GLN  80 -12.906   1.149  -2.397
  602    HB3  GLN  80           HB1      GLN  80 -11.681   1.174  -1.138
  603    HG2  GLN  80           HG2      GLN  80 -13.295   0.209   0.422
  604    HG3  GLN  80           HG1      GLN  80 -14.492   0.147  -0.878
  605   HE21  GLN  80          HE21      GLN  80 -11.493  -1.056   0.272
  606   HE22  GLN  80          HE22      GLN  80 -11.385  -2.398  -0.822
  607    H    ALA  81           HN       ALA  81 -13.945   2.542  -3.253
  608    HA   ALA  81           HA       ALA  81 -16.623   3.488  -2.645
  609    HB1  ALA  81           HB1      ALA  81 -15.340   5.139  -3.876
  610    HB2  ALA  81           HB2      ALA  81 -16.662   4.520  -4.861
  611    HB3  ALA  81           HB3      ALA  81 -15.012   3.959  -5.146
  612    H2   SHW 101           H2A      SHW 101   3.179   5.518   3.107
  613    H2A  SHW 101           H2B      SHW 101   4.412   4.300   3.362
  614    H3   SHW 101           H3A      SHW 101   1.538   4.108   4.324
  615    HO3  SHW 101           HO3      SHW 101   3.327   3.072   5.551
  616    H4   SHW 101           H4A      SHW 101   1.370   2.247   2.726
  617    H4A  SHW 101           H4B      SHW 101   3.001   2.575   2.171
  618    H5   SHW 101           H5A      SHW 101   2.326   4.706   1.293
  619    H5A  SHW 101           H5B      SHW 101   0.698   4.486   1.933
  620    H6   SHW 101           H6A      SHW 101   2.003   2.719  -0.130
  621    H6A  SHW 101           H6B      SHW 101   0.830   3.993  -0.468
  622    H7   SHW 101           H7A      SHW 101  -0.840   2.825   0.897
  623    H7A  SHW 101           H7B      SHW 101   0.342   1.542   1.230
  624    H8   SHW 101           H8C      SHW 101  -1.176   0.922  -0.580
  625    H8A  SHW 101           H8A      SHW 101   0.482   1.077  -1.163
  626    H8B  SHW 101           H8B      SHW 101  -0.689   2.359  -1.477
  627    H28  SHW 101          H28A      SHW 101  10.343  12.334  -0.557
  628   H28A  SHW 101          H28B      SHW 101   9.356  10.883  -0.699
  629    H30  SHW 101          H30A      SHW 101   9.456  13.550   1.858
  630   H30A  SHW 101          H30B      SHW 101   8.015  14.382   1.269
  631   H30B  SHW 101          H30C      SHW 101   9.475  14.337   0.280
  632    H31  SHW 101          H31A      SHW 101   7.290  11.919  -1.404
  633   H31A  SHW 101          H31B      SHW 101   8.210  13.410  -1.601
  634   H31B  SHW 101          H31C      SHW 101   6.720  13.412  -0.657
  635    H32  SHW 101          H32A      SHW 101   7.904  11.731   2.345
  636   HO33  SHW 101          H33A      SHW 101   5.534  11.716   1.153
  637   HN36  SHW 101          H36A      SHW 101   8.932   9.784   1.612
  638    H37  SHW 101          H37A      SHW 101   7.025   7.683   0.800
  639   H37A  SHW 101          H37B      SHW 101   8.520   7.864  -0.085
  640    H38  SHW 101          H38A      SHW 101   8.837   6.112   1.438
  641   H38A  SHW 101          H38B      SHW 101   9.792   7.477   2.076
  642   HN41  SHW 101          H41A      SHW 101   6.536   7.951   2.508
  643    H42  SHW 101          H42A      SHW 101   6.042   6.315   4.742
  644   H42A  SHW 101          H42B      SHW 101   6.366   8.006   5.180
  645    H43  SHW 101          H43A      SHW 101   4.320   7.098   3.155
  646   H43A  SHW 101          H43B      SHW 101   4.432   8.719   3.898
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1 -14.562  -1.061  -3.313
    2    H2   ALA   1           HT2      ALA   1 -16.201  -0.872  -2.916
    3    H3   ALA   1           HT3      ALA   1 -15.701  -2.066  -3.967
    4    HA   ALA   1           HA       ALA   1 -14.867  -2.049  -1.133
    5    HB1  ALA   1           HB1      ALA   1 -17.273  -2.518  -1.338
    6    HB2  ALA   1           HB2      ALA   1 -16.379  -3.973  -0.892
    7    HB3  ALA   1           HB3      ALA   1 -16.931  -3.751  -2.552
    8    H    ALA   2           HN       ALA   2 -13.481  -3.956  -0.599
    9    HA   ALA   2           HA       ALA   2 -12.837  -5.611  -2.850
   10    HB1  ALA   2           HB1      ALA   2 -10.444  -5.146  -2.753
   11    HB2  ALA   2           HB2      ALA   2 -10.720  -3.905  -1.534
   12    HB3  ALA   2           HB3      ALA   2 -11.338  -3.682  -3.171
   13    H    THR   3           HN       THR   3 -11.918  -7.492  -2.220
   14    HA   THR   3           HA       THR   3 -12.441  -8.297   0.445
   15    HB   THR   3           HB       THR   3 -10.758  -9.787  -1.587
   16    HG1  THR   3           HG1      THR   3 -12.553  -9.169  -2.785
   17   HG21  THR   3          HG21      THR   3 -11.909 -11.720  -0.593
   18   HG22  THR   3          HG22      THR   3 -12.841 -10.624   0.435
   19   HG23  THR   3          HG23      THR   3 -11.096 -10.763   0.651
   20    H    GLN   4           HN       GLN   4 -11.042  -8.174   2.086
   21    HA   GLN   4           HA       GLN   4  -9.006  -6.399   2.213
   22    HB2  GLN   4           HB2      GLN   4  -9.203  -8.838   3.928
   23    HB3  GLN   4           HB1      GLN   4  -8.383  -7.333   4.321
   24    HG2  GLN   4           HG2      GLN   4 -10.478  -6.148   4.211
   25    HG3  GLN   4           HG1      GLN   4 -11.337  -7.599   3.811
   26   HE21  GLN   4          HE21      GLN   4  -9.420  -9.149   5.691
   27   HE22  GLN   4          HE22      GLN   4 -10.057  -8.808   7.245
   28    H    GLU   5           HN       GLU   5  -8.600  -9.860   1.672
   29    HA   GLU   5           HA       GLU   5  -5.731  -9.824   1.710
   30    HB2  GLU   5           HB2      GLU   5  -7.539 -11.773   0.294
   31    HB3  GLU   5           HB1      GLU   5  -5.810 -11.961   0.502
   32    HG2  GLU   5           HG2      GLU   5  -6.179 -12.020   2.949
   33    HG3  GLU   5           HG1      GLU   5  -7.920 -11.994   2.634
   34    H    GLU   6           HN       GLU   6  -8.076  -9.527  -0.849
   35    HA   GLU   6           HA       GLU   6  -6.203  -9.341  -2.944
   36    HB2  GLU   6           HB2      GLU   6  -8.595  -9.941  -3.205
   37    HB3  GLU   6           HB1      GLU   6  -9.027  -8.286  -2.811
   38    HG2  GLU   6           HG2      GLU   6  -7.865  -7.514  -4.797
   39    HG3  GLU   6           HG1      GLU   6  -7.421  -9.177  -5.191
   40    H    ILE   7           HN       ILE   7  -7.361  -7.104  -0.609
   41    HA   ILE   7           HA       ILE   7  -6.566  -4.696  -1.910
   42    HB   ILE   7           HB       ILE   7  -6.664  -5.324   1.047
   43   HG12  ILE   7          HG12      ILE   7  -8.855  -4.309  -0.792
   44   HG13  ILE   7          HG11      ILE   7  -8.797  -5.792   0.108
   45   HG21  ILE   7          HG21      ILE   7  -6.756  -2.666  -0.410
   46   HG22  ILE   7          HG22      ILE   7  -5.414  -3.281   0.557
   47   HG23  ILE   7          HG23      ILE   7  -6.945  -2.871   1.331
   48   HD11  ILE   7          HD11      ILE   7  -8.947  -3.074   1.377
   49   HD12  ILE   7          HD12      ILE   7  -8.961  -4.628   2.210
   50   HD13  ILE   7          HD13      ILE   7 -10.300  -4.187   1.150
   51    H    VAL   8           HN       VAL   8  -5.127  -6.579   0.708
   52    HA   VAL   8           HA       VAL   8  -2.571  -5.467   0.691
   53    HB   VAL   8           HB       VAL   8  -3.394  -8.304   1.405
   54   HG11  VAL   8          HG11      VAL   8  -0.956  -6.731   2.223
   55   HG12  VAL   8          HG12      VAL   8  -0.994  -8.111   1.123
   56   HG13  VAL   8          HG13      VAL   8  -1.412  -8.331   2.824
   57   HG21  VAL   8          HG21      VAL   8  -4.676  -6.631   2.624
   58   HG22  VAL   8          HG22      VAL   8  -3.209  -5.810   3.093
   59   HG23  VAL   8          HG23      VAL   8  -3.540  -7.432   3.709
   60    H    ALA   9           HN       ALA   9  -3.843  -8.232  -1.150
   61    HA   ALA   9           HA       ALA   9  -1.477  -8.919  -2.487
   62    HB1  ALA   9           HB1      ALA   9  -2.913 -10.093  -4.078
   63    HB2  ALA   9           HB2      ALA   9  -4.321  -9.239  -3.448
   64    HB3  ALA   9           HB3      ALA   9  -3.447 -10.374  -2.421
   65    H    GLY  10           HN       GLY  10  -4.045  -6.631  -3.295
   66    HA2  GLY  10           HA2      GLY  10  -3.144  -5.784  -5.805
   67    HA3  GLY  10           HA1      GLY  10  -4.087  -4.828  -4.670
   68    H    LEU  11           HN       LEU  11  -2.536  -4.538  -2.551
   69    HA   LEU  11           HA       LEU  11  -0.723  -2.536  -3.112
   70    HB2  LEU  11           HB2      LEU  11  -0.974  -4.448  -0.810
   71    HB3  LEU  11           HB1      LEU  11   0.060  -3.056  -0.759
   72    HG   LEU  11           HG       LEU  11  -2.938  -2.986  -1.067
   73   HD11  LEU  11          HD11      LEU  11  -1.189  -2.414   1.322
   74   HD12  LEU  11          HD12      LEU  11  -2.258  -3.799   1.121
   75   HD13  LEU  11          HD13      LEU  11  -2.934  -2.174   1.238
   76   HD21  LEU  11          HD21      LEU  11  -2.693  -0.591  -0.635
   77   HD22  LEU  11          HD22      LEU  11  -1.833  -1.070  -2.099
   78   HD23  LEU  11          HD23      LEU  11  -0.939  -0.770  -0.608
   79    H    ALA  12           HN       ALA  12  -0.238  -5.953  -2.454
   80    HA   ALA  12           HA       ALA  12   2.517  -6.088  -2.534
   81    HB1  ALA  12           HB1      ALA  12   1.047  -7.853  -1.690
   82    HB2  ALA  12           HB2      ALA  12   2.216  -8.471  -2.847
   83    HB3  ALA  12           HB3      ALA  12   0.543  -8.213  -3.337
   84    H    GLU  13           HN       GLU  13   0.198  -6.450  -5.184
   85    HA   GLU  13           HA       GLU  13   2.319  -6.949  -6.998
   86    HB2  GLU  13           HB2      GLU  13   0.602  -6.825  -8.817
   87    HB3  GLU  13           HB1      GLU  13   0.299  -8.030  -7.582
   88    HG2  GLU  13           HG2      GLU  13  -1.318  -6.439  -6.554
   89    HG3  GLU  13           HG1      GLU  13  -1.066  -5.377  -7.941
   90    H    ILE  14           HN       ILE  14   0.728  -4.117  -6.046
   91    HA   ILE  14           HA       ILE  14   1.810  -2.350  -7.977
   92    HB   ILE  14           HB       ILE  14   0.991  -1.974  -5.087
   93   HG12  ILE  14          HG12      ILE  14  -0.421  -1.094  -7.593
   94   HG13  ILE  14          HG11      ILE  14  -0.702  -2.655  -6.830
   95   HG21  ILE  14          HG21      ILE  14   1.643   0.154  -7.129
   96   HG22  ILE  14          HG22      ILE  14   2.579  -0.220  -5.681
   97   HG23  ILE  14          HG23      ILE  14   0.950   0.438  -5.531
   98   HD11  ILE  14          HD11      ILE  14  -2.372  -1.028  -6.211
   99   HD12  ILE  14          HD12      ILE  14  -1.104   0.016  -5.524
  100   HD13  ILE  14          HD13      ILE  14  -1.416  -1.594  -4.842
  101    H    VAL  15           HN       VAL  15   2.826  -3.288  -4.712
  102    HA   VAL  15           HA       VAL  15   5.294  -1.982  -4.645
  103    HB   VAL  15           HB       VAL  15   4.346  -4.446  -3.159
  104   HG11  VAL  15          HG11      VAL  15   6.758  -2.717  -2.574
  105   HG12  VAL  15          HG12      VAL  15   6.802  -4.384  -3.148
  106   HG13  VAL  15          HG13      VAL  15   6.148  -4.018  -1.551
  107   HG21  VAL  15          HG21      VAL  15   3.063  -2.455  -2.725
  108   HG22  VAL  15          HG22      VAL  15   4.539  -1.557  -2.367
  109   HG23  VAL  15          HG23      VAL  15   4.032  -2.881  -1.315
  110    H    ASN  16           HN       ASN  16   4.399  -5.149  -5.848
  111    HA   ASN  16           HA       ASN  16   6.921  -6.219  -6.335
  112    HB2  ASN  16           HB2      ASN  16   4.654  -7.351  -6.600
  113    HB3  ASN  16           HB1      ASN  16   4.558  -6.579  -8.176
  114   HD21  ASN  16          HD21      ASN  16   7.320  -8.052  -6.527
  115   HD22  ASN  16          HD22      ASN  16   7.642  -9.235  -7.737
  116    H    GLU  17           HN       GLU  17   4.976  -4.020  -8.198
  117    HA   GLU  17           HA       GLU  17   6.680  -4.059 -10.494
  118    HB2  GLU  17           HB2      GLU  17   4.259  -3.773 -10.648
  119    HB3  GLU  17           HB1      GLU  17   4.370  -2.273  -9.746
  120    HG2  GLU  17           HG2      GLU  17   5.587  -1.241 -11.544
  121    HG3  GLU  17           HG1      GLU  17   5.627  -2.773 -12.428
  122    H    ILE  18           HN       ILE  18   5.896  -1.643  -8.001
  123    HA   ILE  18           HA       ILE  18   7.797   0.235  -9.107
  124    HB   ILE  18           HB       ILE  18   6.144   0.409  -6.562
  125   HG12  ILE  18          HG12      ILE  18   5.666   1.769  -9.185
  126   HG13  ILE  18          HG11      ILE  18   4.943   0.186  -8.838
  127   HG21  ILE  18          HG21      ILE  18   8.093   1.899  -6.560
  128   HG22  ILE  18          HG22      ILE  18   6.594   2.810  -6.737
  129   HG23  ILE  18          HG23      ILE  18   7.622   2.520  -8.141
  130   HD11  ILE  18          HD11      ILE  18   4.542   2.776  -7.362
  131   HD12  ILE  18          HD12      ILE  18   3.813   1.230  -6.925
  132   HD13  ILE  18          HD13      ILE  18   3.399   1.999  -8.458
  133    H    ALA  19           HN       ALA  19   7.538  -1.475  -5.977
  134    HA   ALA  19           HA       ALA  19  10.109  -0.542  -5.058
  135    HB1  ALA  19           HB1      ALA  19   8.309  -0.986  -3.494
  136    HB2  ALA  19           HB2      ALA  19   9.702  -2.018  -3.161
  137    HB3  ALA  19           HB3      ALA  19   8.288  -2.682  -3.980
  138    H    GLY  20           HN       GLY  20   8.705  -3.460  -6.396
  139    HA2  GLY  20           HA2      GLY  20   9.812  -5.079  -7.691
  140    HA3  GLY  20           HA1      GLY  20  11.356  -4.541  -7.048
  141    H    ILE  21           HN       ILE  21   8.565  -5.147  -5.070
  142    HA   ILE  21           HA       ILE  21  10.030  -7.353  -3.772
  143    HB   ILE  21           HB       ILE  21   7.883  -5.547  -2.649
  144   HG12  ILE  21          HG12      ILE  21   9.955  -4.300  -2.921
  145   HG13  ILE  21          HG11      ILE  21   9.660  -4.595  -1.212
  146   HG21  ILE  21          HG21      ILE  21   9.505  -7.667  -1.255
  147   HG22  ILE  21          HG22      ILE  21   7.781  -7.729  -1.621
  148   HG23  ILE  21          HG23      ILE  21   8.393  -6.547  -0.465
  149   HD11  ILE  21          HD11      ILE  21  12.011  -4.874  -1.774
  150   HD12  ILE  21          HD12      ILE  21  11.592  -6.110  -2.961
  151   HD13  ILE  21          HD13      ILE  21  11.307  -6.403  -1.248
  152    HA   PRO  22           HA       PRO  22   7.191 -10.456  -5.359
  153    HB2  PRO  22           HB2      PRO  22   7.312 -11.550  -2.707
  154    HB3  PRO  22           HB1      PRO  22   8.027 -12.167  -4.199
  155    HG2  PRO  22           HG2      PRO  22   9.258 -10.540  -2.067
  156    HG3  PRO  22           HG1      PRO  22  10.026 -11.588  -3.270
  157    HD2  PRO  22           HD2      PRO  22  10.252  -8.936  -3.448
  158    HD3  PRO  22           HD1      PRO  22   9.980  -9.953  -4.897
  159    H    VAL  23           HN       VAL  23   5.218 -10.560  -5.508
  160    HA   VAL  23           HA       VAL  23   3.292  -9.073  -4.024
  161    HB   VAL  23           HB       VAL  23   2.729 -11.499  -5.782
  162   HG11  VAL  23          HG11      VAL  23   0.776 -10.797  -4.551
  163   HG12  VAL  23          HG12      VAL  23   0.576 -10.449  -6.267
  164   HG13  VAL  23          HG13      VAL  23   0.967  -9.147  -5.143
  165   HG21  VAL  23          HG21      VAL  23   2.461  -9.965  -7.666
  166   HG22  VAL  23          HG22      VAL  23   4.108  -9.963  -7.031
  167   HG23  VAL  23          HG23      VAL  23   3.014  -8.634  -6.649
  168    H    GLU  24           HN       GLU  24   4.953 -11.691  -3.247
  169    HA   GLU  24           HA       GLU  24   2.859 -12.867  -1.684
  170    HB2  GLU  24           HB2      GLU  24   4.383 -14.846  -1.374
  171    HB3  GLU  24           HB1      GLU  24   3.885 -14.518  -3.027
  172    HG2  GLU  24           HG2      GLU  24   6.001 -13.559  -3.550
  173    HG3  GLU  24           HG1      GLU  24   6.494 -13.610  -1.861
  174    H    ASP  25           HN       ASP  25   5.663 -11.006  -1.448
  175    HA   ASP  25           HA       ASP  25   6.442 -11.830   1.226
  176    HB2  ASP  25           HB2      ASP  25   8.071 -11.130  -0.580
  177    HB3  ASP  25           HB1      ASP  25   7.451  -9.493  -0.401
  178    H    VAL  26           HN       VAL  26   4.638  -9.532  -0.403
  179    HA   VAL  26           HA       VAL  26   4.340  -7.627   1.747
  180    HB   VAL  26           HB       VAL  26   3.117  -7.749  -1.034
  181   HG11  VAL  26          HG11      VAL  26   2.462  -5.455  -0.687
  182   HG12  VAL  26          HG12      VAL  26   3.045  -5.514   0.989
  183   HG13  VAL  26          HG13      VAL  26   1.684  -6.531   0.470
  184   HG21  VAL  26          HG21      VAL  26   5.308  -6.021   0.072
  185   HG22  VAL  26          HG22      VAL  26   4.656  -5.932  -1.559
  186   HG23  VAL  26          HG23      VAL  26   5.541  -7.376  -1.035
  187    H    LYS  27           HN       LYS  27   3.455  -9.124   3.198
  188    HA   LYS  27           HA       LYS  27   0.614  -9.691   2.846
  189    HB2  LYS  27           HB2      LYS  27   1.272 -11.178   4.878
  190    HB3  LYS  27           HB1      LYS  27   1.538 -11.794   3.234
  191    HG2  LYS  27           HG2      LYS  27   3.858 -11.044   3.416
  192    HG3  LYS  27           HG1      LYS  27   3.550 -10.500   5.065
  193    HD2  LYS  27           HD2      LYS  27   3.045 -12.764   5.749
  194    HD3  LYS  27           HD1      LYS  27   3.240 -13.332   4.086
  195    HE2  LYS  27           HE2      LYS  27   5.347 -11.960   5.686
  196    HE3  LYS  27           HE1      LYS  27   5.225 -13.725   5.531
  197    HZ1  LYS  27           HZ1      LYS  27   6.838 -12.743   3.956
  198    HZ2  LYS  27           HZ2      LYS  27   5.625 -11.809   3.276
  199    HZ3  LYS  27           HZ3      LYS  27   5.557 -13.496   3.163
  200    H    LEU  28           HN       LEU  28  -0.396  -9.726   5.107
  201    HA   LEU  28           HA       LEU  28  -0.431  -6.916   5.730
  202    HB2  LEU  28           HB2      LEU  28  -2.400  -8.536   5.454
  203    HB3  LEU  28           HB1      LEU  28  -2.051  -9.050   7.080
  204    HG   LEU  28           HG       LEU  28  -2.549  -6.157   6.613
  205   HD11  LEU  28          HD11      LEU  28  -4.677  -8.298   6.685
  206   HD12  LEU  28          HD12      LEU  28  -4.255  -7.282   5.302
  207   HD13  LEU  28          HD13      LEU  28  -4.977  -6.554   6.747
  208   HD21  LEU  28          HD21      LEU  28  -3.687  -6.326   8.767
  209   HD22  LEU  28          HD22      LEU  28  -2.053  -6.985   8.883
  210   HD23  LEU  28          HD23      LEU  28  -3.445  -8.072   8.776
  211    H    ASP  29           HN       ASP  29   1.777  -8.768   6.844
  212    HA   ASP  29           HA       ASP  29   1.700  -7.562   9.513
  213    HB2  ASP  29           HB2      ASP  29   3.325  -9.899   8.521
  214    HB3  ASP  29           HB1      ASP  29   3.310  -9.187  10.130
  215    H    LYS  30           HN       LYS  30   2.571  -6.651   6.709
  216    HA   LYS  30           HA       LYS  30   5.424  -6.183   7.234
  217    HB2  LYS  30           HB2      LYS  30   3.863  -6.500   4.735
  218    HB3  LYS  30           HB1      LYS  30   5.461  -5.799   4.744
  219    HG2  LYS  30           HG2      LYS  30   4.832  -8.523   5.862
  220    HG3  LYS  30           HG1      LYS  30   5.351  -8.245   4.196
  221    HD2  LYS  30           HD2      LYS  30   7.406  -7.215   5.001
  222    HD3  LYS  30           HD1      LYS  30   6.883  -7.475   6.668
  223    HE2  LYS  30           HE2      LYS  30   6.947  -9.846   6.371
  224    HE3  LYS  30           HE1      LYS  30   7.282  -9.666   4.650
  225    HZ1  LYS  30           HZ1      LYS  30   9.085  -8.610   6.743
  226    HZ2  LYS  30           HZ2      LYS  30   9.428  -8.852   5.103
  227    HZ3  LYS  30           HZ3      LYS  30   9.237 -10.174   6.126
  228    H    SER  31           HN       SER  31   6.154  -4.167   7.422
  229    HA   SER  31           HA       SER  31   4.518  -1.919   6.753
  230    HB2  SER  31           HB2      SER  31   7.313  -2.158   7.877
  231    HB3  SER  31           HB1      SER  31   6.251  -0.757   7.915
  232    HG   SER  31           HG       SER  31   5.778  -3.247   9.214
  233    H    PHE  32           HN       PHE  32   4.664  -1.301   4.653
  234    HA   PHE  32           HA       PHE  32   6.216  -2.009   2.582
  235    HB2  PHE  32           HB2      PHE  32   5.275   0.795   3.126
  236    HB3  PHE  32           HB1      PHE  32   5.904   0.262   1.581
  237    HD1  PHE  32           HD1      PHE  32   4.645  -1.486   0.326
  238    HD2  PHE  32           HD2      PHE  32   3.067   0.444   3.753
  239    HE1  PHE  32           HE1      PHE  32   2.378  -2.142  -0.356
  240    HE2  PHE  32           HE2      PHE  32   0.796  -0.200   3.081
  241    HZ   PHE  32           HZ       PHE  32   0.450  -1.490   1.014
  242    H    THR  33           HN       THR  33   7.110   1.299   3.530
  243    HA   THR  33           HA       THR  33   9.841   0.760   2.895
  244    HB   THR  33           HB       THR  33   9.814   3.282   3.896
  245    HG1  THR  33           HG1      THR  33   7.487   3.015   4.287
  246   HG21  THR  33          HG21      THR  33   9.009   2.377   1.111
  247   HG22  THR  33          HG22      THR  33  10.644   2.681   1.690
  248   HG23  THR  33          HG23      THR  33   9.491   4.015   1.550
  249    H    ASP  34           HN       ASP  34   9.632  -0.870   4.779
  250    HA   ASP  34           HA       ASP  34  11.386   0.054   6.826
  251    HB2  ASP  34           HB2      ASP  34   9.415   0.869   7.911
  252    HB3  ASP  34           HB1      ASP  34   8.540  -0.618   7.575
  253    H    ASP  35           HN       ASP  35   8.930  -2.474   6.484
  254    HA   ASP  35           HA       ASP  35  10.931  -4.416   7.353
  255    HB2  ASP  35           HB2      ASP  35   8.352  -4.261   8.102
  256    HB3  ASP  35           HB1      ASP  35   8.162  -5.234   6.661
  257    H    LEU  36           HN       LEU  36   8.613  -3.958   4.728
  258    HA   LEU  36           HA       LEU  36   9.481  -6.094   3.065
  259    HB2  LEU  36           HB2      LEU  36   8.122  -3.485   2.411
  260    HB3  LEU  36           HB1      LEU  36   8.390  -4.763   1.247
  261    HG   LEU  36           HG       LEU  36   6.773  -5.122   3.748
  262   HD11  LEU  36          HD11      LEU  36   4.819  -4.902   2.285
  263   HD12  LEU  36          HD12      LEU  36   5.872  -4.519   0.927
  264   HD13  LEU  36          HD13      LEU  36   5.756  -3.411   2.296
  265   HD21  LEU  36          HD21      LEU  36   7.036  -6.709   1.206
  266   HD22  LEU  36          HD22      LEU  36   5.951  -7.075   2.548
  267   HD23  LEU  36          HD23      LEU  36   7.697  -7.148   2.780
  268    H    ASP  37           HN       ASP  37  10.174  -2.739   3.271
  269    HA   ASP  37           HA       ASP  37  11.732  -1.370   2.601
  270    HB2  ASP  37           HB2      ASP  37  13.523  -2.868   3.287
  271    HB3  ASP  37           HB1      ASP  37  13.367  -3.794   1.795
  272    H    VAL  38           HN       VAL  38  10.676  -0.348   1.272
  273    HA   VAL  38           HA       VAL  38  10.339  -1.229  -1.484
  274    HB   VAL  38           HB       VAL  38   9.310   1.227   0.015
  275   HG11  VAL  38          HG11      VAL  38   9.657   1.792  -2.353
  276   HG12  VAL  38          HG12      VAL  38   7.940   1.717  -1.960
  277   HG13  VAL  38          HG13      VAL  38   8.704   0.387  -2.829
  278   HG21  VAL  38          HG21      VAL  38   7.891  -1.218  -1.029
  279   HG22  VAL  38          HG22      VAL  38   7.121   0.165  -0.250
  280   HG23  VAL  38          HG23      VAL  38   8.236  -0.853   0.660
  281    H    ASP  39           HN       ASP  39  11.082   1.837  -0.160
  282    HA   ASP  39           HA       ASP  39  13.708   2.137  -0.846
  283    HB2  ASP  39           HB2      ASP  39  13.196   1.977  -3.206
  284    HB3  ASP  39           HB1      ASP  39  11.841   3.087  -3.048
  285    H    SER  40           HN       SER  40  11.450   4.550  -1.865
  286    HA   SER  40           HA       SER  40  10.967   5.959   0.487
  287    HB2  SER  40           HB2      SER  40  13.500   6.120   0.431
  288    HB3  SER  40           HB1      SER  40  13.348   6.984  -1.101
  289    H    LEU  41           HN       LEU  41  12.193   6.478  -2.773
  290    HA   LEU  41           HA       LEU  41  10.271   8.612  -3.268
  291    HB2  LEU  41           HB2      LEU  41  12.263   7.336  -5.155
  292    HB3  LEU  41           HB1      LEU  41  11.295   8.746  -5.515
  293    HG   LEU  41           HG       LEU  41  13.487   8.563  -3.451
  294   HD11  LEU  41          HD11      LEU  41  14.305   8.628  -5.736
  295   HD12  LEU  41          HD12      LEU  41  14.647  10.145  -4.906
  296   HD13  LEU  41          HD13      LEU  41  13.315  10.051  -6.063
  297   HD21  LEU  41          HD21      LEU  41  11.702  10.053  -2.687
  298   HD22  LEU  41          HD22      LEU  41  11.752  10.912  -4.225
  299   HD23  LEU  41          HD23      LEU  41  13.140  10.972  -3.136
  300    H    SER  42           HN       SER  42  10.810   5.334  -4.048
  301    HA   SER  42           HA       SER  42   8.820   4.965  -6.004
  302    HB2  SER  42           HB2      SER  42  10.085   3.036  -4.075
  303    HB3  SER  42           HB1      SER  42   9.200   2.603  -5.537
  304    HG   SER  42           HG       SER  42  10.772   3.577  -6.764
  305    H    MET  43           HN       MET  43   8.662   5.509  -2.672
  306    HA   MET  43           HA       MET  43   6.499   3.845  -1.970
  307    HB2  MET  43           HB2      MET  43   7.944   4.675  -0.299
  308    HB3  MET  43           HB1      MET  43   7.595   6.344  -0.744
  309    HG2  MET  43           HG2      MET  43   6.468   5.539   1.265
  310    HG3  MET  43           HG1      MET  43   5.408   6.180  -0.018
  311    HE1  MET  43           HE1      MET  43   6.102   1.696   0.630
  312    HE2  MET  43           HE2      MET  43   6.830   3.000   1.601
  313    HE3  MET  43           HE3      MET  43   7.227   2.870  -0.100
  314    H    VAL  44           HN       VAL  44   6.727   7.246  -2.934
  315    HA   VAL  44           HA       VAL  44   4.008   7.800  -2.570
  316    HB   VAL  44           HB       VAL  44   6.087   9.255  -4.242
  317   HG11  VAL  44          HG11      VAL  44   4.652  11.225  -4.030
  318   HG12  VAL  44          HG12      VAL  44   3.435  10.249  -3.204
  319   HG13  VAL  44          HG13      VAL  44   3.835   9.922  -4.891
  320   HG21  VAL  44          HG21      VAL  44   6.312  10.727  -2.272
  321   HG22  VAL  44          HG22      VAL  44   6.750   9.061  -1.901
  322   HG23  VAL  44          HG23      VAL  44   5.199   9.691  -1.383
  323    H    GLU  45           HN       GLU  45   5.776   6.252  -5.116
  324    HA   GLU  45           HA       GLU  45   3.885   6.665  -7.190
  325    HB2  GLU  45           HB2      GLU  45   5.853   4.391  -6.877
  326    HB3  GLU  45           HB1      GLU  45   5.150   4.990  -8.369
  327    HG2  GLU  45           HG2      GLU  45   7.109   6.467  -6.624
  328    HG3  GLU  45           HG1      GLU  45   7.491   5.629  -8.123
  329    H    VAL  46           HN       VAL  46   4.508   4.287  -4.691
  330    HA   VAL  46           HA       VAL  46   2.585   2.340  -5.404
  331    HB   VAL  46           HB       VAL  46   3.733   3.000  -2.655
  332   HG11  VAL  46          HG11      VAL  46   1.678   1.699  -2.449
  333   HG12  VAL  46          HG12      VAL  46   3.080   0.722  -2.011
  334   HG13  VAL  46          HG13      VAL  46   2.308   0.504  -3.582
  335   HG21  VAL  46          HG21      VAL  46   5.244   1.108  -3.055
  336   HG22  VAL  46          HG22      VAL  46   5.466   2.384  -4.252
  337   HG23  VAL  46          HG23      VAL  46   4.572   0.923  -4.676
  338    H    VAL  47           HN       VAL  47   2.537   5.065  -3.167
  339    HA   VAL  47           HA       VAL  47  -0.045   4.926  -2.171
  340    HB   VAL  47           HB       VAL  47   1.453   7.454  -2.963
  341   HG11  VAL  47          HG11      VAL  47   0.145   8.542  -1.204
  342   HG12  VAL  47          HG12      VAL  47  -0.722   7.033  -0.918
  343   HG13  VAL  47          HG13      VAL  47  -0.894   7.871  -2.461
  344   HG21  VAL  47          HG21      VAL  47   1.497   5.919  -0.366
  345   HG22  VAL  47          HG22      VAL  47   2.277   7.477  -0.652
  346   HG23  VAL  47          HG23      VAL  47   2.821   6.045  -1.525
  347    H    VAL  48           HN       VAL  48   0.945   7.063  -4.831
  348    HA   VAL  48           HA       VAL  48  -1.467   7.641  -6.005
  349    HB   VAL  48           HB       VAL  48   1.148   7.096  -7.456
  350   HG11  VAL  48          HG11      VAL  48  -0.715   7.079  -9.036
  351   HG12  VAL  48          HG12      VAL  48   0.275   8.523  -9.248
  352   HG13  VAL  48          HG13      VAL  48  -1.272   8.627  -8.404
  353   HG21  VAL  48          HG21      VAL  48  -0.059   9.658  -6.427
  354   HG22  VAL  48          HG22      VAL  48   1.431   9.529  -7.360
  355   HG23  VAL  48          HG23      VAL  48   1.334   8.814  -5.748
  356    H    ALA  49           HN       ALA  49   0.448   4.701  -6.707
  357    HA   ALA  49           HA       ALA  49  -1.278   3.706  -8.720
  358    HB1  ALA  49           HB1      ALA  49   1.053   2.990  -8.486
  359    HB2  ALA  49           HB2      ALA  49  -0.062   1.623  -8.537
  360    HB3  ALA  49           HB3      ALA  49   0.630   2.140  -7.000
  361    H    ALA  50           HN       ALA  50  -1.294   3.291  -5.242
  362    HA   ALA  50           HA       ALA  50  -3.142   1.148  -5.102
  363    HB1  ALA  50           HB1      ALA  50  -1.738   1.845  -3.204
  364    HB2  ALA  50           HB2      ALA  50  -3.451   1.812  -2.779
  365    HB3  ALA  50           HB3      ALA  50  -2.650   3.351  -3.096
  366    H    GLU  51           HN       GLU  51  -3.527   4.621  -5.375
  367    HA   GLU  51           HA       GLU  51  -6.246   4.851  -4.838
  368    HB2  GLU  51           HB2      GLU  51  -4.695   6.403  -6.898
  369    HB3  GLU  51           HB1      GLU  51  -6.151   6.902  -6.051
  370    HG2  GLU  51           HG2      GLU  51  -4.883   6.881  -3.945
  371    HG3  GLU  51           HG1      GLU  51  -3.427   6.500  -4.864
  372    H    GLU  52           HN       GLU  52  -4.511   4.168  -7.781
  373    HA   GLU  52           HA       GLU  52  -6.779   4.097  -9.496
  374    HB2  GLU  52           HB2      GLU  52  -4.542   4.632 -10.296
  375    HB3  GLU  52           HB1      GLU  52  -3.982   3.030  -9.843
  376    HG2  GLU  52           HG2      GLU  52  -5.541   2.061 -11.454
  377    HG3  GLU  52           HG1      GLU  52  -6.008   3.685 -11.964
  378    H    ARG  53           HN       ARG  53  -5.051   1.730  -7.590
  379    HA   ARG  53           HA       ARG  53  -6.081  -0.537  -9.013
  380    HB2  ARG  53           HB2      ARG  53  -3.897  -0.657  -7.931
  381    HB3  ARG  53           HB1      ARG  53  -4.628  -0.340  -6.368
  382    HG2  ARG  53           HG2      ARG  53  -4.092  -2.679  -6.559
  383    HG3  ARG  53           HG1      ARG  53  -5.842  -2.477  -6.526
  384    HD2  ARG  53           HD2      ARG  53  -5.819  -2.630  -9.030
  385    HD3  ARG  53           HD1      ARG  53  -4.100  -3.015  -8.922
  386    HE   ARG  53           HE       ARG  53  -5.520  -4.739  -7.224
  387   HH11  ARG  53          HH11      ARG  53  -5.069  -4.270 -10.753
  388   HH12  ARG  53          HH12      ARG  53  -5.408  -5.919 -11.072
  389   HH21  ARG  53          HH21      ARG  53  -5.860  -6.937  -7.765
  390   HH22  ARG  53          HH22      ARG  53  -5.806  -7.445  -9.396
  391    H    PHE  54           HN       PHE  54  -6.934   1.235  -6.136
  392    HA   PHE  54           HA       PHE  54  -9.042  -0.735  -5.621
  393    HB2  PHE  54           HB2      PHE  54  -7.853   1.311  -3.772
  394    HB3  PHE  54           HB1      PHE  54  -9.071   0.117  -3.349
  395    HD1  PHE  54           HD1      PHE  54  -8.223  -2.380  -4.298
  396    HD2  PHE  54           HD2      PHE  54  -5.786   0.829  -2.910
  397    HE1  PHE  54           HE1      PHE  54  -6.452  -3.960  -3.712
  398    HE2  PHE  54           HE2      PHE  54  -4.031  -0.786  -2.296
  399    HZ   PHE  54           HZ       PHE  54  -4.360  -3.154  -2.727
  400    H    ASP  55           HN       ASP  55  -8.640   2.221  -7.002
  401    HA   ASP  55           HA       ASP  55  -9.999   3.767  -7.861
  402    HB2  ASP  55           HB2      ASP  55 -11.622   1.835  -8.172
  403    HB3  ASP  55           HB1      ASP  55 -12.375   2.310  -6.658
  404    H    VAL  56           HN       VAL  56  -9.381   3.421  -4.807
  405    HA   VAL  56           HA       VAL  56 -10.944   5.712  -3.865
  406    HB   VAL  56           HB       VAL  56 -11.241   3.853  -2.391
  407   HG11  VAL  56          HG11      VAL  56  -9.389   2.704  -1.233
  408   HG12  VAL  56          HG12      VAL  56  -8.234   3.637  -2.185
  409   HG13  VAL  56          HG13      VAL  56  -9.307   2.488  -2.983
  410   HG21  VAL  56          HG21      VAL  56 -10.346   4.680  -0.264
  411   HG22  VAL  56          HG22      VAL  56 -11.019   5.975  -1.259
  412   HG23  VAL  56          HG23      VAL  56  -9.267   5.760  -1.149
  413    H    LYS  57           HN       LYS  57  -9.990   7.562  -3.757
  414    HA   LYS  57           HA       LYS  57  -7.230   7.877  -4.410
  415    HB2  LYS  57           HB2      LYS  57  -9.138   9.954  -3.296
  416    HB3  LYS  57           HB1      LYS  57  -7.574  10.276  -4.027
  417    HG2  LYS  57           HG2      LYS  57  -9.997   9.147  -5.427
  418    HG3  LYS  57           HG1      LYS  57  -9.391  10.794  -5.555
  419    HD2  LYS  57           HD2      LYS  57  -7.893   8.308  -6.411
  420    HD3  LYS  57           HD1      LYS  57  -8.783   9.373  -7.492
  421    HE2  LYS  57           HE2      LYS  57  -6.385  10.147  -5.821
  422    HE3  LYS  57           HE1      LYS  57  -6.361   9.795  -7.545
  423    HZ1  LYS  57           HZ1      LYS  57  -7.639  12.109  -6.181
  424    HZ2  LYS  57           HZ2      LYS  57  -7.976  11.724  -7.770
  425    HZ3  LYS  57           HZ3      LYS  57  -6.402  12.131  -7.332
  426    H    ILE  58           HN       ILE  58  -5.549   8.122  -3.148
  427    HA   ILE  58           HA       ILE  58  -5.915   8.194  -0.243
  428    HB   ILE  58           HB       ILE  58  -3.802   6.515  -1.656
  429   HG12  ILE  58          HG12      ILE  58  -6.362   5.535  -0.357
  430   HG13  ILE  58          HG11      ILE  58  -6.072   5.586  -2.089
  431   HG21  ILE  58          HG21      ILE  58  -3.484   5.528   0.581
  432   HG22  ILE  58          HG22      ILE  58  -4.729   6.593   1.223
  433   HG23  ILE  58          HG23      ILE  58  -3.222   7.273   0.601
  434   HD11  ILE  58          HD11      ILE  58  -5.805   3.351  -1.197
  435   HD12  ILE  58          HD12      ILE  58  -4.565   3.924  -0.085
  436   HD13  ILE  58          HD13      ILE  58  -4.274   3.956  -1.827
  437    HA   PRO  59           HA       PRO  59  -3.162  11.472  -1.643
  438    HB2  PRO  59           HB2      PRO  59  -3.610  13.164   0.416
  439    HB3  PRO  59           HB1      PRO  59  -4.704  13.010  -0.963
  440    HG2  PRO  59           HG2      PRO  59  -4.960  11.924   1.791
  441    HG3  PRO  59           HG1      PRO  59  -6.217  12.506   0.688
  442    HD2  PRO  59           HD2      PRO  59  -5.607   9.843   1.159
  443    HD3  PRO  59           HD1      PRO  59  -6.473  10.456  -0.262
  444    H    ASP  60           HN       ASP  60  -1.092  11.753  -1.275
  445    HA   ASP  60           HA       ASP  60   0.701  10.601   0.266
  446    HB2  ASP  60           HB2      ASP  60   1.402  12.151  -1.373
  447    HB3  ASP  60           HB1      ASP  60   0.580  13.484  -0.582
  448    H    ASP  61           HN       ASP  61  -1.295  13.243   1.499
  449    HA   ASP  61           HA       ASP  61   0.220  13.358   3.945
  450    HB2  ASP  61           HB2      ASP  61  -2.273  14.806   3.117
  451    HB3  ASP  61           HB1      ASP  61  -1.562  14.959   4.716
  452    H    ASP  62           HN       ASP  62  -2.684  11.786   2.934
  453    HA   ASP  62           HA       ASP  62  -3.463  11.197   5.698
  454    HB2  ASP  62           HB2      ASP  62  -5.114  11.669   3.753
  455    HB3  ASP  62           HB1      ASP  62  -4.683  10.073   3.165
  456    H    VAL  63           HN       VAL  63  -1.976   9.813   2.926
  457    HA   VAL  63           HA       VAL  63  -1.940   7.155   3.726
  458    HB   VAL  63           HB       VAL  63  -1.306   8.271   1.447
  459   HG11  VAL  63          HG11      VAL  63   1.068   8.310   0.942
  460   HG12  VAL  63          HG12      VAL  63   1.420   8.073   2.655
  461   HG13  VAL  63          HG13      VAL  63   0.593   9.535   2.119
  462   HG21  VAL  63          HG21      VAL  63   0.061   5.812   2.442
  463   HG22  VAL  63          HG22      VAL  63  -0.119   6.293   0.747
  464   HG23  VAL  63          HG23      VAL  63  -1.552   5.937   1.722
  465    H    LYS  64           HN       LYS  64  -0.198   9.834   4.832
  466    HA   LYS  64           HA       LYS  64   2.071   8.660   5.922
  467    HB2  LYS  64           HB2      LYS  64   0.583  11.144   6.762
  468    HB3  LYS  64           HB1      LYS  64   2.176  10.697   7.365
  469    HG2  LYS  64           HG2      LYS  64   3.124  10.861   5.167
  470    HG3  LYS  64           HG1      LYS  64   1.535  11.091   4.456
  471    HD2  LYS  64           HD2      LYS  64   1.317  13.231   5.618
  472    HD3  LYS  64           HD1      LYS  64   2.911  12.995   6.346
  473    HE2  LYS  64           HE2      LYS  64   3.970  13.002   4.185
  474    HE3  LYS  64           HE1      LYS  64   2.408  13.043   3.376
  475    HZ1  LYS  64           HZ1      LYS  64   3.600  15.180   3.465
  476    HZ2  LYS  64           HZ2      LYS  64   3.333  15.241   5.159
  477    HZ3  LYS  64           HZ3      LYS  64   2.040  15.240   4.080
  478    H    ASN  65           HN       ASN  65  -1.100   8.177   6.825
  479    HA   ASN  65           HA       ASN  65  -0.660   7.665   9.653
  480    HB2  ASN  65           HB2      ASN  65  -2.798   8.641   8.884
  481    HB3  ASN  65           HB1      ASN  65  -3.061   7.251   7.845
  482   HD21  ASN  65          HD21      ASN  65  -3.122   8.472  11.045
  483   HD22  ASN  65          HD22      ASN  65  -3.917   7.117  11.797
  484    H    LEU  66           HN       LEU  66  -0.555   6.138   6.600
  485    HA   LEU  66           HA       LEU  66  -1.078   3.493   7.661
  486    HB2  LEU  66           HB2      LEU  66  -0.511   4.181   4.799
  487    HB3  LEU  66           HB1      LEU  66  -1.407   2.839   5.486
  488    HG   LEU  66           HG       LEU  66  -2.379   5.700   5.356
  489   HD11  LEU  66          HD11      LEU  66  -2.251   4.732   3.157
  490   HD12  LEU  66          HD12      LEU  66  -3.935   4.893   3.662
  491   HD13  LEU  66          HD13      LEU  66  -3.149   3.314   3.700
  492   HD21  LEU  66          HD21      LEU  66  -4.553   4.795   5.992
  493   HD22  LEU  66          HD22      LEU  66  -3.362   4.455   7.258
  494   HD23  LEU  66          HD23      LEU  66  -3.865   3.189   6.127
  495    H    LYS  67           HN       LYS  67   0.747   2.642   8.430
  496    HA   LYS  67           HA       LYS  67   3.112   3.055   6.811
  497    HB2  LYS  67           HB2      LYS  67   4.262   2.161   9.148
  498    HB3  LYS  67           HB1      LYS  67   4.133   3.836   8.645
  499    HG2  LYS  67           HG2      LYS  67   3.427   3.690  10.912
  500    HG3  LYS  67           HG1      LYS  67   2.000   3.978   9.911
  501    HD2  LYS  67           HD2      LYS  67   1.573   1.517   9.984
  502    HD3  LYS  67           HD1      LYS  67   2.887   1.382  11.155
  503    HE2  LYS  67           HE2      LYS  67   1.714   2.826  12.700
  504    HE3  LYS  67           HE1      LYS  67   0.478   3.136  11.475
  505    HZ1  LYS  67           HZ1      LYS  67   0.996   0.466  12.696
  506    HZ2  LYS  67           HZ2      LYS  67  -0.188   0.850  11.565
  507    HZ3  LYS  67           HZ3      LYS  67  -0.279   1.505  13.106
  508    H    THR  68           HN       THR  68   1.139   0.543   8.134
  509    HA   THR  68           HA       THR  68   2.937  -1.310   6.764
  510    HB   THR  68           HB       THR  68   1.554  -3.139   7.671
  511    HG1  THR  68           HG1      THR  68   0.273  -1.107   9.195
  512   HG21  THR  68          HG21      THR  68   3.544  -2.515   8.801
  513   HG22  THR  68          HG22      THR  68   2.310  -3.044   9.948
  514   HG23  THR  68          HG23      THR  68   2.678  -1.307   9.771
  515    H    VAL  69           HN       VAL  69   1.727  -3.117   5.725
  516    HA   VAL  69           HA       VAL  69   0.037  -2.193   3.656
  517    HB   VAL  69           HB       VAL  69  -0.312  -4.676   3.284
  518   HG11  VAL  69          HG11      VAL  69   1.551  -3.444   2.192
  519   HG12  VAL  69          HG12      VAL  69   2.033  -5.091   2.603
  520   HG13  VAL  69          HG13      VAL  69   2.554  -3.740   3.610
  521   HG21  VAL  69          HG21      VAL  69   1.601  -4.842   5.558
  522   HG22  VAL  69          HG22      VAL  69   1.105  -6.179   4.522
  523   HG23  VAL  69          HG23      VAL  69  -0.079  -5.366   5.549
  524    H    GLY  70           HN       GLY  70  -0.439  -3.729   6.764
  525    HA2  GLY  70           HA2      GLY  70  -3.194  -4.220   6.555
  526    HA3  GLY  70           HA1      GLY  70  -2.292  -4.068   8.065
  527    H    ASP  71           HN       ASP  71  -1.340  -1.446   7.655
  528    HA   ASP  71           HA       ASP  71  -3.561   0.130   8.465
  529    HB2  ASP  71           HB2      ASP  71  -0.893   1.077   7.427
  530    HB3  ASP  71           HB1      ASP  71  -2.137   2.119   8.094
  531    H    ALA  72           HN       ALA  72  -1.758  -0.056   5.436
  532    HA   ALA  72           HA       ALA  72  -3.172   1.806   3.954
  533    HB1  ALA  72           HB1      ALA  72  -1.188   0.648   3.103
  534    HB2  ALA  72           HB2      ALA  72  -2.535   0.500   1.972
  535    HB3  ALA  72           HB3      ALA  72  -2.101  -0.859   3.009
  536    H    THR  73           HN       THR  73  -3.780  -1.696   3.950
  537    HA   THR  73           HA       THR  73  -6.262  -1.851   2.941
  538    HB   THR  73           HB       THR  73  -5.218  -3.389   5.326
  539    HG1  THR  73           HG1      THR  73  -3.729  -3.710   3.789
  540   HG21  THR  73          HG21      THR  73  -7.612  -3.784   4.867
  541   HG22  THR  73          HG22      THR  73  -6.650  -5.206   4.450
  542   HG23  THR  73          HG23      THR  73  -7.227  -4.119   3.182
  543    H    LYS  74           HN       LYS  74  -5.554  -1.079   6.403
  544    HA   LYS  74           HA       LYS  74  -8.115  -0.916   7.439
  545    HB2  LYS  74           HB2      LYS  74  -6.150  -0.691   8.812
  546    HB3  LYS  74           HB1      LYS  74  -5.687   0.783   7.983
  547    HG2  LYS  74           HG2      LYS  74  -7.651   1.911   8.941
  548    HG3  LYS  74           HG1      LYS  74  -8.069   0.418   9.791
  549    HD2  LYS  74           HD2      LYS  74  -6.879   1.832  11.323
  550    HD3  LYS  74           HD1      LYS  74  -5.856   0.469  10.852
  551    HE2  LYS  74           HE2      LYS  74  -4.479   2.426  10.859
  552    HE3  LYS  74           HE1      LYS  74  -4.750   1.965   9.182
  553    HZ1  LYS  74           HZ1      LYS  74  -4.946   4.372   9.564
  554    HZ2  LYS  74           HZ2      LYS  74  -6.185   4.114  10.644
  555    HZ3  LYS  74           HZ3      LYS  74  -6.428   3.776   9.017
  556    H    TYR  75           HN       TYR  75  -6.384   1.462   5.521
  557    HA   TYR  75           HA       TYR  75  -8.393   3.505   5.791
  558    HB2  TYR  75           HB2      TYR  75  -6.073   4.155   5.422
  559    HB3  TYR  75           HB1      TYR  75  -6.012   3.219   3.940
  560    HD1  TYR  75           HD1      TYR  75  -7.167   6.337   5.490
  561    HD2  TYR  75           HD2      TYR  75  -7.018   4.094   1.883
  562    HE1  TYR  75           HE1      TYR  75  -7.766   8.350   4.203
  563    HE2  TYR  75           HE2      TYR  75  -7.634   6.103   0.604
  564    HH   TYR  75           HH       TYR  75  -8.575   8.219   0.829
  565    H    ILE  76           HN       ILE  76  -7.157   1.483   3.243
  566    HA   ILE  76           HA       ILE  76  -8.901   2.184   1.241
  567    HB   ILE  76           HB       ILE  76  -7.424  -0.428   1.643
  568   HG12  ILE  76          HG12      ILE  76  -6.596   2.008   0.067
  569   HG13  ILE  76          HG11      ILE  76  -6.082   1.703   1.722
  570   HG21  ILE  76          HG21      ILE  76  -9.189  -0.522  -0.066
  571   HG22  ILE  76          HG22      ILE  76  -7.577  -0.646  -0.777
  572   HG23  ILE  76          HG23      ILE  76  -8.475   0.872  -0.876
  573   HD11  ILE  76          HD11      ILE  76  -5.529  -0.053  -0.651
  574   HD12  ILE  76          HD12      ILE  76  -5.022  -0.356   1.011
  575   HD13  ILE  76          HD13      ILE  76  -4.381   1.037   0.135
  576    H    LEU  77           HN       LEU  77  -9.094  -0.601   3.448
  577    HA   LEU  77           HA       LEU  77 -11.441  -1.751   2.390
  578    HB2  LEU  77           HB2      LEU  77 -10.003  -2.929   3.928
  579    HB3  LEU  77           HB1      LEU  77 -10.368  -1.783   5.199
  580    HG   LEU  77           HG       LEU  77 -12.773  -2.537   4.966
  581   HD11  LEU  77          HD11      LEU  77 -11.499  -4.782   3.455
  582   HD12  LEU  77          HD12      LEU  77 -12.692  -3.627   2.863
  583   HD13  LEU  77          HD13      LEU  77 -13.134  -4.790   4.113
  584   HD21  LEU  77          HD21      LEU  77 -11.393  -3.086   6.861
  585   HD22  LEU  77          HD22      LEU  77 -10.692  -4.448   5.986
  586   HD23  LEU  77          HD23      LEU  77 -12.400  -4.465   6.427
  587    H    ASP  78           HN       ASP  78 -10.986   0.815   4.636
  588    HA   ASP  78           HA       ASP  78 -13.834   0.877   5.379
  589    HB2  ASP  78           HB2      ASP  78 -12.234   1.290   7.162
  590    HB3  ASP  78           HB1      ASP  78 -11.517   2.613   6.256
  591    H    HIS  79           HN       HIS  79 -11.592   2.534   3.438
  592    HA   HIS  79           HA       HIS  79 -13.444   4.679   2.797
  593    HB2  HIS  79           HB2      HIS  79 -10.507   4.309   2.434
  594    HB3  HIS  79           HB1      HIS  79 -11.312   5.583   1.553
  595    HD1  HIS  79           HD1      HIS  79 -11.328   7.748   2.772
  596    HD2  HIS  79           HD2      HIS  79 -10.969   4.545   5.390
  597    HE1  HIS  79           HE1      HIS  79 -11.024   8.764   5.054
  598    HE2  HIS  79           HE2      HIS  79 -10.460   6.810   6.520
  599    H    GLN  80           HN       GLN  80 -13.044   1.683   1.685
  600    HA   GLN  80           HA       GLN  80 -12.696   1.473  -0.944
  601    HB2  GLN  80           HB2      GLN  80 -14.832   0.425   0.791
  602    HB3  GLN  80           HB1      GLN  80 -14.736  -0.075  -0.905
  603    HG2  GLN  80           HG2      GLN  80 -12.733  -0.474   1.297
  604    HG3  GLN  80           HG1      GLN  80 -13.791  -1.698   0.603
  605   HE21  GLN  80          HE21      GLN  80 -11.025  -1.723   0.817
  606   HE22  GLN  80          HE22      GLN  80 -10.356  -1.856  -0.772
  607    H    ALA  81           HN       ALA  81 -13.651   1.953  -2.779
  608    HA   ALA  81           HA       ALA  81 -15.605   3.992  -2.937
  609    HB1  ALA  81           HB1      ALA  81 -13.841   3.742  -4.619
  610    HB2  ALA  81           HB2      ALA  81 -15.439   3.594  -5.354
  611    HB3  ALA  81           HB3      ALA  81 -14.471   2.152  -5.049
  612    H2   SHW 101           H2A      SHW 101   2.330   6.034   2.820
  613    H2A  SHW 101           H2B      SHW 101   3.559   5.547   1.650
  614    H3   SHW 101           H3A      SHW 101   3.193   4.621   4.528
  615    HO3  SHW 101           HO3      SHW 101   5.337   4.323   2.753
  616    H4   SHW 101           H4A      SHW 101   2.828   2.427   3.415
  617    H4A  SHW 101           H4B      SHW 101   2.970   3.225   1.854
  618    H5   SHW 101           H5A      SHW 101   1.038   4.675   2.563
  619    H5A  SHW 101           H5B      SHW 101   0.824   3.572   3.919
  620    H6   SHW 101           H6A      SHW 101  -0.674   2.943   2.143
  621    H6A  SHW 101           H6B      SHW 101   0.574   1.704   2.320
  622    H7   SHW 101           H7A      SHW 101   1.775   2.591   0.401
  623    H7A  SHW 101           H7B      SHW 101   0.602   3.915   0.258
  624    H8   SHW 101           H8C      SHW 101   0.137   2.115  -1.335
  625    H8A  SHW 101           H8A      SHW 101  -1.165   2.281  -0.157
  626    H8B  SHW 101           H8B      SHW 101   0.006   0.972   0.001
  627    H28  SHW 101          H28A      SHW 101  12.129  10.696   2.615
  628   H28A  SHW 101          H28B      SHW 101  11.347  10.252   1.098
  629    H30  SHW 101          H30A      SHW 101   9.812   9.517   4.353
  630   H30A  SHW 101          H30B      SHW 101   8.921  11.030   4.515
  631   H30B  SHW 101          H30C      SHW 101  10.677  11.020   4.676
  632    H31  SHW 101          H31A      SHW 101  10.197  12.529   1.384
  633   H31A  SHW 101          H31B      SHW 101  10.901  12.724   2.988
  634   H31B  SHW 101          H31C      SHW 101   9.152  12.800   2.779
  635    H32  SHW 101          H32A      SHW 101   7.805  10.555   2.427
  636   HO33  SHW 101          H33A      SHW 101   8.411  10.009   0.045
  637   HN36  SHW 101          H36A      SHW 101   8.985   8.671   3.536
  638    H37  SHW 101          H37A      SHW 101   7.611   6.360   2.607
  639   H37A  SHW 101          H37B      SHW 101   9.334   6.168   2.267
  640    H38  SHW 101          H38A      SHW 101   8.643   5.109   4.405
  641   H38A  SHW 101          H38B      SHW 101   9.851   6.355   4.619
  642   HN41  SHW 101          H41A      SHW 101   6.685   7.412   3.905
  643    H42  SHW 101          H42A      SHW 101   5.385   7.680   6.382
  644   H42A  SHW 101          H42B      SHW 101   6.416   9.054   6.066
  645    H43  SHW 101          H43A      SHW 101   5.442   9.189   3.773
  646   H43A  SHW 101          H43B      SHW 101   4.559   9.855   5.155
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1 -18.415  -2.289   1.280
    2    H2   ALA   1           HT2      ALA   1 -18.365  -3.664   0.280
    3    H3   ALA   1           HT3      ALA   1 -17.699  -2.206  -0.259
    4    HA   ALA   1           HA       ALA   1 -15.987  -2.311   1.358
    5    HB1  ALA   1           HB1      ALA   1 -15.743  -4.312   2.749
    6    HB2  ALA   1           HB2      ALA   1 -17.274  -4.934   2.131
    7    HB3  ALA   1           HB3      ALA   1 -17.250  -3.470   3.114
    8    H    ALA   2           HN       ALA   2 -14.176  -4.184   1.223
    9    HA   ALA   2           HA       ALA   2 -14.513  -5.852  -1.091
   10    HB1  ALA   2           HB1      ALA   2 -12.236  -3.870  -0.785
   11    HB2  ALA   2           HB2      ALA   2 -13.483  -3.822  -2.032
   12    HB3  ALA   2           HB3      ALA   2 -12.321  -5.146  -2.000
   13    H    THR   3           HN       THR   3 -12.872  -7.542  -1.017
   14    HA   THR   3           HA       THR   3 -12.518  -8.447   1.625
   15    HB   THR   3           HB       THR   3 -11.162  -9.501  -0.868
   16    HG1  THR   3           HG1      THR   3 -13.125  -9.876  -1.613
   17   HG21  THR   3          HG21      THR   3 -11.497 -11.635   0.279
   18   HG22  THR   3          HG22      THR   3 -12.304 -10.775   1.601
   19   HG23  THR   3          HG23      THR   3 -10.591 -10.503   1.292
   20    H    GLN   4           HN       GLN   4 -10.800  -8.109   2.951
   21    HA   GLN   4           HA       GLN   4  -8.905  -6.107   2.580
   22    HB2  GLN   4           HB2      GLN   4  -8.785  -8.482   4.430
   23    HB3  GLN   4           HB1      GLN   4  -7.756  -7.065   4.547
   24    HG2  GLN   4           HG2      GLN   4  -9.694  -5.667   4.979
   25    HG3  GLN   4           HG1      GLN   4 -10.742  -7.052   4.750
   26   HE21  GLN   4          HE21      GLN   4  -8.355  -5.636   6.895
   27   HE22  GLN   4          HE22      GLN   4  -8.720  -6.669   8.227
   28    H    GLU   5           HN       GLU   5  -8.664  -9.493   1.982
   29    HA   GLU   5           HA       GLU   5  -5.838  -9.553   1.527
   30    HB2  GLU   5           HB2      GLU   5  -6.231 -11.843   0.697
   31    HB3  GLU   5           HB1      GLU   5  -6.966 -11.547   2.268
   32    HG2  GLU   5           HG2      GLU   5  -9.090 -11.085   1.051
   33    HG3  GLU   5           HG1      GLU   5  -8.307 -11.711  -0.397
   34    H    GLU   6           HN       GLU   6  -8.609  -8.921  -0.403
   35    HA   GLU   6           HA       GLU   6  -7.411  -9.238  -2.970
   36    HB2  GLU   6           HB2      GLU   6  -9.833  -9.324  -2.605
   37    HB3  GLU   6           HB1      GLU   6  -9.815  -7.674  -2.014
   38    HG2  GLU   6           HG2      GLU   6  -9.097  -6.951  -4.271
   39    HG3  GLU   6           HG1      GLU   6  -9.291  -8.620  -4.814
   40    H    ILE   7           HN       ILE   7  -7.901  -6.757  -0.623
   41    HA   ILE   7           HA       ILE   7  -6.956  -4.536  -2.065
   42    HB   ILE   7           HB       ILE   7  -6.859  -5.034   0.912
   43   HG12  ILE   7          HG12      ILE   7  -9.174  -4.112  -0.827
   44   HG13  ILE   7          HG11      ILE   7  -9.065  -5.516   0.180
   45   HG21  ILE   7          HG21      ILE   7  -7.054  -2.576   1.048
   46   HG22  ILE   7          HG22      ILE   7  -7.034  -2.489  -0.713
   47   HG23  ILE   7          HG23      ILE   7  -5.614  -3.068   0.156
   48   HD11  ILE   7          HD11      ILE   7  -9.072  -4.191   2.188
   49   HD12  ILE   7          HD12      ILE   7 -10.473  -3.812   1.188
   50   HD13  ILE   7          HD13      ILE   7  -9.098  -2.708   1.236
   51    H    VAL   8           HN       VAL   8  -5.456  -6.595   0.410
   52    HA   VAL   8           HA       VAL   8  -2.882  -5.618   0.151
   53    HB   VAL   8           HB       VAL   8  -3.892  -8.303   1.115
   54   HG11  VAL   8          HG11      VAL   8  -1.609  -8.600   0.319
   55   HG12  VAL   8          HG12      VAL   8  -1.676  -8.676   2.082
   56   HG13  VAL   8          HG13      VAL   8  -1.073  -7.217   1.278
   57   HG21  VAL   8          HG21      VAL   8  -3.378  -7.328   3.299
   58   HG22  VAL   8          HG22      VAL   8  -4.504  -6.308   2.391
   59   HG23  VAL   8          HG23      VAL   8  -2.816  -5.862   2.499
   60    H    ALA   9           HN       ALA   9  -4.452  -8.176  -1.712
   61    HA   ALA   9           HA       ALA   9  -2.210  -8.992  -3.206
   62    HB1  ALA   9           HB1      ALA   9  -3.810  -9.829  -4.850
   63    HB2  ALA   9           HB2      ALA   9  -5.096  -8.896  -4.088
   64    HB3  ALA   9           HB3      ALA   9  -4.337 -10.230  -3.213
   65    H    GLY  10           HN       GLY  10  -4.513  -6.391  -3.630
   66    HA2  GLY  10           HA2      GLY  10  -3.600  -5.470  -6.149
   67    HA3  GLY  10           HA1      GLY  10  -4.543  -4.554  -4.970
   68    H    LEU  11           HN       LEU  11  -2.917  -4.565  -2.836
   69    HA   LEU  11           HA       LEU  11  -1.063  -2.540  -3.364
   70    HB2  LEU  11           HB2      LEU  11  -1.214  -4.476  -1.062
   71    HB3  LEU  11           HB1      LEU  11  -0.151  -3.086  -1.115
   72    HG   LEU  11           HG       LEU  11  -3.164  -2.947  -1.181
   73   HD11  LEU  11          HD11      LEU  11  -2.958  -2.125   1.108
   74   HD12  LEU  11          HD12      LEU  11  -1.215  -2.409   1.051
   75   HD13  LEU  11          HD13      LEU  11  -2.333  -3.769   0.956
   76   HD21  LEU  11          HD21      LEU  11  -2.808  -0.558  -0.790
   77   HD22  LEU  11          HD22      LEU  11  -2.070  -1.075  -2.308
   78   HD23  LEU  11          HD23      LEU  11  -1.063  -0.800  -0.885
   79    H    ALA  12           HN       ALA  12  -0.590  -5.995  -2.808
   80    HA   ALA  12           HA       ALA  12   2.161  -6.155  -2.941
   81    HB1  ALA  12           HB1      ALA  12   1.843  -8.504  -3.430
   82    HB2  ALA  12           HB2      ALA  12   0.162  -8.199  -3.866
   83    HB3  ALA  12           HB3      ALA  12   0.698  -7.961  -2.205
   84    H    GLU  13           HN       GLU  13  -0.175  -6.348  -5.559
   85    HA   GLU  13           HA       GLU  13   1.802  -6.885  -7.525
   86    HB2  GLU  13           HB2      GLU  13   0.122  -6.306  -9.279
   87    HB3  GLU  13           HB1      GLU  13  -0.472  -7.471  -8.109
   88    HG2  GLU  13           HG2      GLU  13  -1.721  -5.721  -6.994
   89    HG3  GLU  13           HG1      GLU  13  -1.097  -4.531  -8.125
   90    H    ILE  14           HN       ILE  14   0.484  -3.925  -6.394
   91    HA   ILE  14           HA       ILE  14   1.740  -2.164  -8.158
   92    HB   ILE  14           HB       ILE  14   0.909  -1.891  -5.269
   93   HG12  ILE  14          HG12      ILE  14  -0.393  -0.819  -7.750
   94   HG13  ILE  14          HG11      ILE  14  -0.768  -2.394  -7.049
   95   HG21  ILE  14          HG21      ILE  14   1.714   0.287  -7.189
   96   HG22  ILE  14          HG22      ILE  14   2.603  -0.218  -5.751
   97   HG23  ILE  14          HG23      ILE  14   1.015   0.536  -5.585
   98   HD11  ILE  14          HD11      ILE  14  -1.052   0.263  -5.671
   99   HD12  ILE  14          HD12      ILE  14  -1.418  -1.344  -5.008
  100   HD13  ILE  14          HD13      ILE  14  -2.361  -0.720  -6.363
  101    H    VAL  15           HN       VAL  15   2.579  -3.301  -4.919
  102    HA   VAL  15           HA       VAL  15   5.032  -2.077  -4.539
  103    HB   VAL  15           HB       VAL  15   4.057  -4.733  -3.459
  104   HG11  VAL  15          HG11      VAL  15   6.496  -4.598  -3.248
  105   HG12  VAL  15          HG12      VAL  15   5.724  -4.451  -1.669
  106   HG13  VAL  15          HG13      VAL  15   6.347  -3.017  -2.482
  107   HG21  VAL  15          HG21      VAL  15   2.649  -2.865  -2.865
  108   HG22  VAL  15          HG22      VAL  15   4.051  -1.970  -2.276
  109   HG23  VAL  15          HG23      VAL  15   3.534  -3.443  -1.454
  110    H    ASN  16           HN       ASN  16   4.396  -5.293  -5.914
  111    HA   ASN  16           HA       ASN  16   7.117  -5.922  -6.282
  112    HB2  ASN  16           HB2      ASN  16   5.208  -7.545  -6.391
  113    HB3  ASN  16           HB1      ASN  16   4.859  -6.919  -8.000
  114   HD21  ASN  16          HD21      ASN  16   7.212  -8.567  -6.065
  115   HD22  ASN  16          HD22      ASN  16   8.074  -9.333  -7.338
  116    H    GLU  17           HN       GLU  17   4.915  -4.070  -8.189
  117    HA   GLU  17           HA       GLU  17   6.535  -4.007 -10.550
  118    HB2  GLU  17           HB2      GLU  17   4.074  -3.692 -10.542
  119    HB3  GLU  17           HB1      GLU  17   4.296  -2.173  -9.691
  120    HG2  GLU  17           HG2      GLU  17   3.911  -1.737 -12.000
  121    HG3  GLU  17           HG1      GLU  17   5.582  -1.325 -11.615
  122    H    ILE  18           HN       ILE  18   5.894  -1.757  -7.891
  123    HA   ILE  18           HA       ILE  18   7.794   0.177  -8.993
  124    HB   ILE  18           HB       ILE  18   5.983   0.371  -6.574
  125   HG12  ILE  18          HG12      ILE  18   5.683   1.668  -9.242
  126   HG13  ILE  18          HG11      ILE  18   4.913   0.105  -8.904
  127   HG21  ILE  18          HG21      ILE  18   7.533   2.473  -8.107
  128   HG22  ILE  18          HG22      ILE  18   7.920   1.888  -6.489
  129   HG23  ILE  18          HG23      ILE  18   6.427   2.784  -6.769
  130   HD11  ILE  18          HD11      ILE  18   3.674   1.254  -7.098
  131   HD12  ILE  18          HD12      ILE  18   3.362   1.936  -8.694
  132   HD13  ILE  18          HD13      ILE  18   4.446   2.763  -7.575
  133    H    ALA  19           HN       ALA  19   7.306  -1.460  -5.852
  134    HA   ALA  19           HA       ALA  19   9.772  -0.477  -4.721
  135    HB1  ALA  19           HB1      ALA  19   7.820  -0.935  -3.344
  136    HB2  ALA  19           HB2      ALA  19   9.201  -1.912  -2.846
  137    HB3  ALA  19           HB3      ALA  19   7.897  -2.639  -3.790
  138    H    GLY  20           HN       GLY  20   8.635  -3.333  -6.332
  139    HA2  GLY  20           HA2      GLY  20   9.854  -4.982  -7.420
  140    HA3  GLY  20           HA1      GLY  20  11.335  -4.296  -6.776
  141    H    ILE  21           HN       ILE  21   8.717  -4.982  -4.678
  142    HA   ILE  21           HA       ILE  21  10.378  -7.016  -3.396
  143    HB   ILE  21           HB       ILE  21   8.085  -5.371  -2.276
  144   HG12  ILE  21          HG12      ILE  21  10.058  -4.008  -2.645
  145   HG13  ILE  21          HG11      ILE  21   9.832  -4.265  -0.920
  146   HG21  ILE  21          HG21      ILE  21   8.163  -7.531  -1.177
  147   HG22  ILE  21          HG22      ILE  21   8.701  -6.260  -0.078
  148   HG23  ILE  21          HG23      ILE  21   9.882  -7.320  -0.846
  149   HD11  ILE  21          HD11      ILE  21  11.588  -5.973  -0.953
  150   HD12  ILE  21          HD12      ILE  21  12.177  -4.416  -1.535
  151   HD13  ILE  21          HD13      ILE  21  11.810  -5.704  -2.682
  152    HA   PRO  22           HA       PRO  22   7.917 -10.672  -4.458
  153    HB2  PRO  22           HB2      PRO  22   7.898 -11.213  -1.637
  154    HB3  PRO  22           HB1      PRO  22   8.779 -12.046  -2.921
  155    HG2  PRO  22           HG2      PRO  22   9.705  -9.934  -1.084
  156    HG3  PRO  22           HG1      PRO  22  10.654 -11.114  -2.008
  157    HD2  PRO  22           HD2      PRO  22  10.688  -8.539  -2.699
  158    HD3  PRO  22           HD1      PRO  22  10.598  -9.830  -3.934
  159    H    VAL  23           HN       VAL  23   6.003 -10.717  -4.920
  160    HA   VAL  23           HA       VAL  23   3.940  -9.114  -3.972
  161    HB   VAL  23           HB       VAL  23   3.749 -11.852  -5.266
  162   HG11  VAL  23          HG11      VAL  23   1.555 -11.133  -6.069
  163   HG12  VAL  23          HG12      VAL  23   1.717  -9.635  -5.151
  164   HG13  VAL  23          HG13      VAL  23   1.626 -11.182  -4.306
  165   HG21  VAL  23          HG21      VAL  23   3.529 -10.642  -7.385
  166   HG22  VAL  23          HG22      VAL  23   5.089 -10.353  -6.614
  167   HG23  VAL  23          HG23      VAL  23   3.828  -9.124  -6.539
  168    H    GLU  24           HN       GLU  24   5.066 -12.307  -3.008
  169    HA   GLU  24           HA       GLU  24   2.928 -12.282  -1.189
  170    HB2  GLU  24           HB2      GLU  24   4.462 -14.634  -2.194
  171    HB3  GLU  24           HB1      GLU  24   3.387 -14.775  -0.803
  172    HG2  GLU  24           HG2      GLU  24   1.536 -13.902  -2.145
  173    HG3  GLU  24           HG1      GLU  24   2.604 -13.790  -3.535
  174    H    ASP  25           HN       ASP  25   5.907 -11.265  -0.987
  175    HA   ASP  25           HA       ASP  25   6.263 -12.097   1.777
  176    HB2  ASP  25           HB2      ASP  25   8.287 -11.560   0.360
  177    HB3  ASP  25           HB1      ASP  25   7.738  -9.880   0.339
  178    H    VAL  26           HN       VAL  26   4.819  -9.755  -0.119
  179    HA   VAL  26           HA       VAL  26   4.304  -7.760   1.830
  180    HB   VAL  26           HB       VAL  26   3.178  -8.340  -0.942
  181   HG11  VAL  26          HG11      VAL  26   1.949  -6.277  -0.905
  182   HG12  VAL  26          HG12      VAL  26   2.406  -5.969   0.781
  183   HG13  VAL  26          HG13      VAL  26   1.348  -7.333   0.369
  184   HG21  VAL  26          HG21      VAL  26   4.307  -6.260  -1.503
  185   HG22  VAL  26          HG22      VAL  26   5.433  -7.413  -0.771
  186   HG23  VAL  26          HG23      VAL  26   4.791  -6.069   0.178
  187    H    LYS  27           HN       LYS  27   3.788  -9.281   3.438
  188    HA   LYS  27           HA       LYS  27   1.001 -10.225   3.540
  189    HB2  LYS  27           HB2      LYS  27   3.018 -10.477   5.743
  190    HB3  LYS  27           HB1      LYS  27   1.617 -11.456   5.418
  191    HG2  LYS  27           HG2      LYS  27   2.653 -12.404   3.422
  192    HG3  LYS  27           HG1      LYS  27   4.093 -11.432   3.755
  193    HD2  LYS  27           HD2      LYS  27   4.485 -12.589   5.808
  194    HD3  LYS  27           HD1      LYS  27   2.962 -13.470   5.660
  195    HE2  LYS  27           HE2      LYS  27   4.774 -14.900   5.021
  196    HE3  LYS  27           HE1      LYS  27   3.764 -14.481   3.627
  197    HZ1  LYS  27           HZ1      LYS  27   6.336 -13.133   4.277
  198    HZ2  LYS  27           HZ2      LYS  27   5.423 -12.965   2.843
  199    HZ3  LYS  27           HZ3      LYS  27   6.222 -14.385   3.156
  200    H    LEU  28           HN       LEU  28   0.332  -9.791   6.019
  201    HA   LEU  28           HA       LEU  28   0.066  -6.875   5.876
  202    HB2  LEU  28           HB2      LEU  28  -1.487  -8.876   7.413
  203    HB3  LEU  28           HB1      LEU  28  -1.589  -7.181   7.839
  204    HG   LEU  28           HG       LEU  28  -2.333  -6.758   5.469
  205   HD11  LEU  28          HD11      LEU  28  -3.254  -8.571   4.224
  206   HD12  LEU  28          HD12      LEU  28  -2.645  -9.749   5.400
  207   HD13  LEU  28          HD13      LEU  28  -1.519  -8.772   4.435
  208   HD21  LEU  28          HD21      LEU  28  -3.841  -6.771   7.323
  209   HD22  LEU  28          HD22      LEU  28  -4.015  -8.525   7.208
  210   HD23  LEU  28          HD23      LEU  28  -4.617  -7.485   5.905
  211    H    ASP  29           HN       ASP  29   2.271  -8.489   7.291
  212    HA   ASP  29           HA       ASP  29   2.373  -6.749   9.668
  213    HB2  ASP  29           HB2      ASP  29   3.981  -9.156   8.920
  214    HB3  ASP  29           HB1      ASP  29   4.153  -8.186  10.378
  215    H    LYS  30           HN       LYS  30   3.036  -6.469   6.698
  216    HA   LYS  30           HA       LYS  30   5.877  -5.945   6.882
  217    HB2  LYS  30           HB2      LYS  30   4.029  -6.167   4.560
  218    HB3  LYS  30           HB1      LYS  30   5.707  -5.686   4.403
  219    HG2  LYS  30           HG2      LYS  30   4.686  -8.288   5.536
  220    HG3  LYS  30           HG1      LYS  30   5.385  -8.063   3.933
  221    HD2  LYS  30           HD2      LYS  30   7.491  -7.435   4.901
  222    HD3  LYS  30           HD1      LYS  30   6.863  -7.556   6.533
  223    HE2  LYS  30           HE2      LYS  30   6.374  -9.988   6.035
  224    HE3  LYS  30           HE1      LYS  30   7.208  -9.773   4.501
  225    HZ1  LYS  30           HZ1      LYS  30   8.775 -10.671   6.032
  226    HZ2  LYS  30           HZ2      LYS  30   8.321  -9.583   7.222
  227    HZ3  LYS  30           HZ3      LYS  30   9.176  -9.026   5.894
  228    H    SER  31           HN       SER  31   6.309  -3.872   7.623
  229    HA   SER  31           HA       SER  31   4.728  -1.726   6.652
  230    HB2  SER  31           HB2      SER  31   7.302  -1.897   8.222
  231    HB3  SER  31           HB1      SER  31   6.324  -0.451   7.976
  232    HG   SER  31           HG       SER  31   5.377  -1.041   9.712
  233    H    PHE  32           HN       PHE  32   5.043  -1.173   4.596
  234    HA   PHE  32           HA       PHE  32   6.720  -1.831   2.682
  235    HB2  PHE  32           HB2      PHE  32   5.807   0.981   3.182
  236    HB3  PHE  32           HB1      PHE  32   6.511   0.423   1.677
  237    HD1  PHE  32           HD1      PHE  32   5.292  -1.431   0.439
  238    HD2  PHE  32           HD2      PHE  32   3.558   0.781   3.616
  239    HE1  PHE  32           HE1      PHE  32   3.052  -2.115  -0.303
  240    HE2  PHE  32           HE2      PHE  32   1.322   0.102   2.869
  241    HZ   PHE  32           HZ       PHE  32   1.068  -1.305   0.874
  242    H    THR  33           HN       THR  33   7.622   1.432   3.842
  243    HA   THR  33           HA       THR  33  10.338   0.640   3.448
  244    HB   THR  33           HB       THR  33  10.654   3.145   4.243
  245    HG1  THR  33           HG1      THR  33   8.871   4.340   4.020
  246   HG21  THR  33          HG21      THR  33  10.385   3.780   1.873
  247   HG22  THR  33          HG22      THR  33   9.509   2.275   1.587
  248   HG23  THR  33          HG23      THR  33  11.196   2.227   2.051
  249    H    ASP  34           HN       ASP  34  10.015  -0.948   5.149
  250    HA   ASP  34           HA       ASP  34  11.555  -0.183   7.432
  251    HB2  ASP  34           HB2      ASP  34   9.457   0.390   8.416
  252    HB3  ASP  34           HB1      ASP  34   8.687  -1.047   7.755
  253    H    ASP  35           HN       ASP  35   9.307  -2.743   6.435
  254    HA   ASP  35           HA       ASP  35  11.312  -4.764   7.127
  255    HB2  ASP  35           HB2      ASP  35   8.756  -4.971   7.709
  256    HB3  ASP  35           HB1      ASP  35   8.549  -5.308   6.022
  257    H    LEU  36           HN       LEU  36   9.123  -4.013   4.459
  258    HA   LEU  36           HA       LEU  36  10.253  -5.756   2.552
  259    HB2  LEU  36           HB2      LEU  36   8.721  -3.200   2.062
  260    HB3  LEU  36           HB1      LEU  36   8.962  -4.496   0.912
  261    HG   LEU  36           HG       LEU  36   7.358  -4.695   3.460
  262   HD11  LEU  36          HD11      LEU  36   6.305  -3.250   1.817
  263   HD12  LEU  36          HD12      LEU  36   5.423  -4.769   1.977
  264   HD13  LEU  36          HD13      LEU  36   6.478  -4.503   0.587
  265   HD21  LEU  36          HD21      LEU  36   7.708  -6.669   1.192
  266   HD22  LEU  36          HD22      LEU  36   6.620  -6.856   2.561
  267   HD23  LEU  36          HD23      LEU  36   8.363  -6.833   2.818
  268    H    ASP  37           HN       ASP  37  10.593  -2.338   3.158
  269    HA   ASP  37           HA       ASP  37  12.164  -0.811   2.826
  270    HB2  ASP  37           HB2      ASP  37  13.776  -2.722   3.478
  271    HB3  ASP  37           HB1      ASP  37  14.059  -2.915   1.753
  272    H    VAL  38           HN       VAL  38  10.876   0.044   1.378
  273    HA   VAL  38           HA       VAL  38  10.891  -0.761  -1.391
  274    HB   VAL  38           HB       VAL  38   9.393   1.476   0.040
  275   HG11  VAL  38          HG11      VAL  38   9.631   2.014  -2.336
  276   HG12  VAL  38          HG12      VAL  38   7.959   1.610  -1.937
  277   HG13  VAL  38          HG13      VAL  38   8.979   0.433  -2.763
  278   HG21  VAL  38          HG21      VAL  38   7.451   0.008  -0.170
  279   HG22  VAL  38          HG22      VAL  38   8.735  -0.734   0.785
  280   HG23  VAL  38          HG23      VAL  38   8.475  -1.237  -0.886
  281    H    ASP  39           HN       ASP  39  10.868   2.522  -0.408
  282    HA   ASP  39           HA       ASP  39  13.372   3.487  -0.908
  283    HB2  ASP  39           HB2      ASP  39  12.886   2.585  -3.344
  284    HB3  ASP  39           HB1      ASP  39  11.577   3.776  -3.291
  285    H    SER  40           HN       SER  40  12.699   5.874  -1.960
  286    HA   SER  40           HA       SER  40  10.722   6.715   0.018
  287    HB2  SER  40           HB2      SER  40  13.133   7.489   0.163
  288    HB3  SER  40           HB1      SER  40  12.818   8.426  -1.303
  289    H    LEU  41           HN       LEU  41  11.775   7.008  -3.317
  290    HA   LEU  41           HA       LEU  41   9.567   8.772  -3.973
  291    HB2  LEU  41           HB2      LEU  41  11.658   7.491  -5.734
  292    HB3  LEU  41           HB1      LEU  41  10.458   8.646  -6.275
  293    HG   LEU  41           HG       LEU  41  12.683   9.204  -4.313
  294   HD11  LEU  41          HD11      LEU  41  13.488   8.899  -6.583
  295   HD12  LEU  41          HD12      LEU  41  13.597  10.593  -6.101
  296   HD13  LEU  41          HD13      LEU  41  12.303  10.064  -7.175
  297   HD21  LEU  41          HD21      LEU  41  10.621  11.057  -5.520
  298   HD22  LEU  41          HD22      LEU  41  11.976  11.545  -4.502
  299   HD23  LEU  41          HD23      LEU  41  10.689  10.542  -3.834
  300    H    SER  42           HN       SER  42  10.586   5.466  -4.303
  301    HA   SER  42           HA       SER  42   8.571   4.626  -6.079
  302    HB2  SER  42           HB2      SER  42  10.074   2.996  -4.019
  303    HB3  SER  42           HB1      SER  42   9.254   2.375  -5.455
  304    HG   SER  42           HG       SER  42  11.571   2.663  -5.673
  305    H    MET  43           HN       MET  43   8.697   5.234  -2.709
  306    HA   MET  43           HA       MET  43   6.539   3.740  -1.731
  307    HB2  MET  43           HB2      MET  43   8.125   4.878  -0.311
  308    HB3  MET  43           HB1      MET  43   7.559   6.433  -0.903
  309    HG2  MET  43           HG2      MET  43   6.658   5.787   1.297
  310    HG3  MET  43           HG1      MET  43   5.432   6.127   0.061
  311    HE1  MET  43           HE1      MET  43   7.404   3.189   1.876
  312    HE2  MET  43           HE2      MET  43   7.693   3.174   0.142
  313    HE3  MET  43           HE3      MET  43   6.769   1.862   0.870
  314    H    VAL  44           HN       VAL  44   6.785   7.020  -3.022
  315    HA   VAL  44           HA       VAL  44   4.084   7.654  -2.553
  316    HB   VAL  44           HB       VAL  44   6.116   9.065  -4.302
  317   HG11  VAL  44          HG11      VAL  44   3.547  10.076  -3.086
  318   HG12  VAL  44          HG12      VAL  44   3.830   9.760  -4.799
  319   HG13  VAL  44          HG13      VAL  44   4.717  11.046  -3.981
  320   HG21  VAL  44          HG21      VAL  44   6.913   8.828  -2.003
  321   HG22  VAL  44          HG22      VAL  44   5.410   9.479  -1.387
  322   HG23  VAL  44          HG23      VAL  44   6.491  10.506  -2.328
  323    H    GLU  45           HN       GLU  45   5.826   6.191  -5.194
  324    HA   GLU  45           HA       GLU  45   3.784   6.561  -7.106
  325    HB2  GLU  45           HB2      GLU  45   5.961   4.469  -6.967
  326    HB3  GLU  45           HB1      GLU  45   4.987   4.842  -8.384
  327    HG2  GLU  45           HG2      GLU  45   5.896   7.135  -8.361
  328    HG3  GLU  45           HG1      GLU  45   6.935   6.677  -7.016
  329    H    VAL  46           HN       VAL  46   4.589   4.081  -4.737
  330    HA   VAL  46           HA       VAL  46   2.603   2.187  -5.345
  331    HB   VAL  46           HB       VAL  46   3.830   2.911  -2.641
  332   HG11  VAL  46          HG11      VAL  46   2.286   0.421  -3.383
  333   HG12  VAL  46          HG12      VAL  46   1.726   1.708  -2.309
  334   HG13  VAL  46          HG13      VAL  46   3.117   0.724  -1.853
  335   HG21  VAL  46          HG21      VAL  46   5.463   2.145  -4.267
  336   HG22  VAL  46          HG22      VAL  46   4.492   0.711  -4.593
  337   HG23  VAL  46          HG23      VAL  46   5.233   0.933  -3.007
  338    H    VAL  47           HN       VAL  47   2.571   4.964  -3.188
  339    HA   VAL  47           HA       VAL  47  -0.028   4.955  -2.201
  340    HB   VAL  47           HB       VAL  47   1.605   7.360  -3.087
  341   HG11  VAL  47          HG11      VAL  47  -0.642   7.194  -1.088
  342   HG12  VAL  47          HG12      VAL  47  -0.708   7.964  -2.674
  343   HG13  VAL  47          HG13      VAL  47   0.339   8.621  -1.418
  344   HG21  VAL  47          HG21      VAL  47   2.381   7.460  -0.765
  345   HG22  VAL  47          HG22      VAL  47   2.854   5.956  -1.554
  346   HG23  VAL  47          HG23      VAL  47   1.506   5.969  -0.416
  347    H    VAL  48           HN       VAL  48   1.061   6.935  -4.950
  348    HA   VAL  48           HA       VAL  48  -1.398   7.656  -6.001
  349    HB   VAL  48           HB       VAL  48   1.178   7.190  -7.546
  350   HG11  VAL  48          HG11      VAL  48  -0.720   7.331  -9.073
  351   HG12  VAL  48          HG12      VAL  48   0.285   8.776  -9.188
  352   HG13  VAL  48          HG13      VAL  48  -1.240   8.832  -8.305
  353   HG21  VAL  48          HG21      VAL  48   0.058   9.686  -6.275
  354   HG22  VAL  48          HG22      VAL  48   1.520   9.602  -7.258
  355   HG23  VAL  48          HG23      VAL  48   1.448   8.759  -5.708
  356    H    ALA  49           HN       ALA  49   0.427   4.688  -6.743
  357    HA   ALA  49           HA       ALA  49  -1.360   3.834  -8.773
  358    HB1  ALA  49           HB1      ALA  49  -0.205   1.706  -8.692
  359    HB2  ALA  49           HB2      ALA  49   0.554   2.158  -7.165
  360    HB3  ALA  49           HB3      ALA  49   0.956   3.034  -8.643
  361    H    ALA  50           HN       ALA  50  -1.354   3.415  -5.291
  362    HA   ALA  50           HA       ALA  50  -3.210   1.291  -5.156
  363    HB1  ALA  50           HB1      ALA  50  -2.756   3.505  -3.148
  364    HB2  ALA  50           HB2      ALA  50  -1.850   1.997  -3.232
  365    HB3  ALA  50           HB3      ALA  50  -3.567   1.970  -2.834
  366    H    GLU  51           HN       GLU  51  -3.587   4.744  -5.389
  367    HA   GLU  51           HA       GLU  51  -6.348   4.979  -4.964
  368    HB2  GLU  51           HB2      GLU  51  -4.657   6.633  -6.816
  369    HB3  GLU  51           HB1      GLU  51  -6.111   7.125  -5.963
  370    HG2  GLU  51           HG2      GLU  51  -4.914   6.885  -3.835
  371    HG3  GLU  51           HG1      GLU  51  -3.453   6.467  -4.735
  372    H    GLU  52           HN       GLU  52  -4.438   4.094  -7.663
  373    HA   GLU  52           HA       GLU  52  -6.519   4.258  -9.655
  374    HB2  GLU  52           HB2      GLU  52  -4.183   4.729 -10.145
  375    HB3  GLU  52           HB1      GLU  52  -3.738   3.109  -9.659
  376    HG2  GLU  52           HG2      GLU  52  -4.972   2.199 -11.536
  377    HG3  GLU  52           HG1      GLU  52  -5.448   3.831 -12.018
  378    H    ARG  53           HN       ARG  53  -4.966   1.893  -7.653
  379    HA   ARG  53           HA       ARG  53  -5.895  -0.412  -9.047
  380    HB2  ARG  53           HB2      ARG  53  -3.761  -0.248  -7.791
  381    HB3  ARG  53           HB1      ARG  53  -4.675  -0.120  -6.307
  382    HG2  ARG  53           HG2      ARG  53  -3.802  -2.345  -6.522
  383    HG3  ARG  53           HG1      ARG  53  -5.554  -2.403  -6.699
  384    HD2  ARG  53           HD2      ARG  53  -3.714  -2.229  -9.045
  385    HD3  ARG  53           HD1      ARG  53  -4.106  -3.790  -8.350
  386    HE   ARG  53           HE       ARG  53  -6.442  -2.262  -8.906
  387   HH11  ARG  53          HH11      ARG  53  -4.060  -4.388 -10.486
  388   HH12  ARG  53          HH12      ARG  53  -5.010  -4.582 -11.888
  389   HH21  ARG  53          HH21      ARG  53  -7.709  -2.547 -10.824
  390   HH22  ARG  53          HH22      ARG  53  -7.134  -3.549 -12.082
  391    H    PHE  54           HN       PHE  54  -6.927   1.502  -6.305
  392    HA   PHE  54           HA       PHE  54  -9.115  -0.424  -5.864
  393    HB2  PHE  54           HB2      PHE  54  -7.900   1.468  -3.873
  394    HB3  PHE  54           HB1      PHE  54  -9.155   0.279  -3.565
  395    HD1  PHE  54           HD1      PHE  54  -8.379  -2.154  -4.574
  396    HD2  PHE  54           HD2      PHE  54  -5.861   0.902  -3.038
  397    HE1  PHE  54           HE1      PHE  54  -6.660  -3.833  -4.052
  398    HE2  PHE  54           HE2      PHE  54  -4.157  -0.780  -2.503
  399    HZ   PHE  54           HZ       PHE  54  -4.507  -3.092  -3.061
  400    H    ASP  55           HN       ASP  55  -8.580   2.566  -7.159
  401    HA   ASP  55           HA       ASP  55  -9.927   4.213  -7.909
  402    HB2  ASP  55           HB2      ASP  55 -11.667   2.428  -8.223
  403    HB3  ASP  55           HB1      ASP  55 -12.226   2.728  -6.594
  404    H    VAL  56           HN       VAL  56  -9.478   3.574  -4.710
  405    HA   VAL  56           HA       VAL  56 -10.848   5.943  -3.740
  406    HB   VAL  56           HB       VAL  56 -11.193   3.967  -2.412
  407   HG11  VAL  56          HG11      VAL  56  -8.206   3.824  -2.028
  408   HG12  VAL  56          HG12      VAL  56  -9.203   2.684  -2.931
  409   HG13  VAL  56          HG13      VAL  56  -9.388   2.824  -1.182
  410   HG21  VAL  56          HG21      VAL  56 -10.480   4.744  -0.188
  411   HG22  VAL  56          HG22      VAL  56 -11.137   6.045  -1.185
  412   HG23  VAL  56          HG23      VAL  56  -9.392   5.899  -0.960
  413    H    LYS  57           HN       LYS  57  -9.892   7.725  -3.580
  414    HA   LYS  57           HA       LYS  57  -7.114   8.074  -4.165
  415    HB2  LYS  57           HB2      LYS  57  -9.208  10.042  -3.231
  416    HB3  LYS  57           HB1      LYS  57  -7.563  10.491  -3.653
  417    HG2  LYS  57           HG2      LYS  57  -9.522   9.186  -5.531
  418    HG3  LYS  57           HG1      LYS  57  -9.205  10.916  -5.445
  419    HD2  LYS  57           HD2      LYS  57  -7.001   8.929  -5.963
  420    HD3  LYS  57           HD1      LYS  57  -8.006   9.544  -7.270
  421    HE2  LYS  57           HE2      LYS  57  -5.943  10.826  -7.158
  422    HE3  LYS  57           HE1      LYS  57  -7.289  11.851  -6.691
  423    HZ1  LYS  57           HZ1      LYS  57  -5.402  10.541  -4.802
  424    HZ2  LYS  57           HZ2      LYS  57  -6.576  11.695  -4.380
  425    HZ3  LYS  57           HZ3      LYS  57  -5.284  12.116  -5.354
  426    H    ILE  58           HN       ILE  58  -5.501   8.066  -2.851
  427    HA   ILE  58           HA       ILE  58  -5.902   8.490   0.011
  428    HB   ILE  58           HB       ILE  58  -4.030   6.398  -1.167
  429   HG12  ILE  58          HG12      ILE  58  -6.659   5.913   0.263
  430   HG13  ILE  58          HG11      ILE  58  -6.412   5.730  -1.469
  431   HG21  ILE  58          HG21      ILE  58  -3.800   5.663   1.173
  432   HG22  ILE  58          HG22      ILE  58  -4.867   6.970   1.682
  433   HG23  ILE  58          HG23      ILE  58  -3.299   7.341   0.958
  434   HD11  ILE  58          HD11      ILE  58  -5.041   4.134   0.684
  435   HD12  ILE  58          HD12      ILE  58  -4.808   3.942  -1.053
  436   HD13  ILE  58          HD13      ILE  58  -6.376   3.589  -0.329
  437    HA   PRO  59           HA       PRO  59  -2.736  11.204  -1.751
  438    HB2  PRO  59           HB2      PRO  59  -2.923  13.114   0.128
  439    HB3  PRO  59           HB1      PRO  59  -4.022  13.040  -1.261
  440    HG2  PRO  59           HG2      PRO  59  -4.469  12.185   1.572
  441    HG3  PRO  59           HG1      PRO  59  -5.602  12.954   0.444
  442    HD2  PRO  59           HD2      PRO  59  -5.607  10.283   1.008
  443    HD3  PRO  59           HD1      PRO  59  -6.165  10.957  -0.536
  444    H    ASP  60           HN       ASP  60  -0.651  11.550  -1.187
  445    HA   ASP  60           HA       ASP  60   0.842  10.146   0.542
  446    HB2  ASP  60           HB2      ASP  60   1.869  11.494  -1.137
  447    HB3  ASP  60           HB1      ASP  60   1.222  12.969  -0.443
  448    H    ASP  61           HN       ASP  61  -0.890  13.058   1.309
  449    HA   ASP  61           HA       ASP  61   0.148  13.558   3.878
  450    HB2  ASP  61           HB2      ASP  61  -1.261  15.176   2.670
  451    HB3  ASP  61           HB1      ASP  61  -2.657  14.131   2.904
  452    H    ASP  62           HN       ASP  62  -2.748  11.620   3.007
  453    HA   ASP  62           HA       ASP  62  -3.078  10.792   5.781
  454    HB2  ASP  62           HB2      ASP  62  -4.647  10.193   3.283
  455    HB3  ASP  62           HB1      ASP  62  -4.902   9.283   4.762
  456    H    VAL  63           HN       VAL  63  -1.589   9.623   2.976
  457    HA   VAL  63           HA       VAL  63  -1.664   6.902   3.611
  458    HB   VAL  63           HB       VAL  63  -0.951   8.141   1.413
  459   HG11  VAL  63          HG11      VAL  63   0.997   9.250   2.160
  460   HG12  VAL  63          HG12      VAL  63   1.445   8.049   0.946
  461   HG13  VAL  63          HG13      VAL  63   1.734   7.731   2.658
  462   HG21  VAL  63          HG21      VAL  63  -1.344   5.805   1.550
  463   HG22  VAL  63          HG22      VAL  63   0.264   5.540   2.245
  464   HG23  VAL  63          HG23      VAL  63   0.095   6.134   0.587
  465    H    LYS  64           HN       LYS  64   0.158   9.454   4.891
  466    HA   LYS  64           HA       LYS  64   2.375   8.113   5.967
  467    HB2  LYS  64           HB2      LYS  64   0.978  10.547   7.095
  468    HB3  LYS  64           HB1      LYS  64   2.628  10.044   7.429
  469    HG2  LYS  64           HG2      LYS  64   1.563  10.939   4.756
  470    HG3  LYS  64           HG1      LYS  64   2.574  11.890   5.844
  471    HD2  LYS  64           HD2      LYS  64   4.395  10.357   5.555
  472    HD3  LYS  64           HD1      LYS  64   3.369   9.247   4.639
  473    HE2  LYS  64           HE2      LYS  64   3.031  11.005   2.962
  474    HE3  LYS  64           HE1      LYS  64   4.140  12.037   3.850
  475    HZ1  LYS  64           HZ1      LYS  64   4.907   9.370   2.810
  476    HZ2  LYS  64           HZ2      LYS  64   5.927  10.586   3.401
  477    HZ3  LYS  64           HZ3      LYS  64   5.061  10.804   1.942
  478    H    ASN  65           HN       ASN  65  -0.926   8.222   6.874
  479    HA   ASN  65           HA       ASN  65  -0.403   7.309   9.583
  480    HB2  ASN  65           HB2      ASN  65  -2.979   8.018   8.166
  481    HB3  ASN  65           HB1      ASN  65  -2.879   7.496   9.842
  482   HD21  ASN  65          HD21      ASN  65  -3.880   9.983   8.751
  483   HD22  ASN  65          HD22      ASN  65  -2.962  11.247   9.479
  484    H    LEU  66           HN       LEU  66  -0.333   5.887   6.743
  485    HA   LEU  66           HA       LEU  66  -1.910   3.555   7.515
  486    HB2  LEU  66           HB2      LEU  66  -0.475   4.096   4.915
  487    HB3  LEU  66           HB1      LEU  66  -1.517   2.726   5.254
  488    HG   LEU  66           HG       LEU  66  -2.333   5.612   5.010
  489   HD11  LEU  66          HD11      LEU  66  -1.943   4.510   2.896
  490   HD12  LEU  66          HD12      LEU  66  -3.666   4.802   3.137
  491   HD13  LEU  66          HD13      LEU  66  -3.002   3.184   3.372
  492   HD21  LEU  66          HD21      LEU  66  -4.624   4.827   5.384
  493   HD22  LEU  66          HD22      LEU  66  -3.607   4.561   6.802
  494   HD23  LEU  66          HD23      LEU  66  -4.011   3.216   5.732
  495    H    LYS  67           HN       LYS  67   1.299   4.247   6.213
  496    HA   LYS  67           HA       LYS  67   3.229   3.355   6.339
  497    HB2  LYS  67           HB2      LYS  67   4.183   2.748   8.655
  498    HB3  LYS  67           HB1      LYS  67   3.641   4.382   8.355
  499    HG2  LYS  67           HG2      LYS  67   3.004   3.761  10.571
  500    HG3  LYS  67           HG1      LYS  67   1.539   3.832   9.598
  501    HD2  LYS  67           HD2      LYS  67   1.598   1.375   9.389
  502    HD3  LYS  67           HD1      LYS  67   3.041   1.339  10.407
  503    HE2  LYS  67           HE2      LYS  67   1.782   2.343  12.244
  504    HE3  LYS  67           HE1      LYS  67   0.346   2.424  11.221
  505    HZ1  LYS  67           HZ1      LYS  67   0.337   0.032  11.083
  506    HZ2  LYS  67           HZ2      LYS  67   0.224   0.490  12.659
  507    HZ3  LYS  67           HZ3      LYS  67   1.707  -0.103  12.058
  508    H    THR  68           HN       THR  68   0.950   1.006   7.096
  509    HA   THR  68           HA       THR  68   2.938  -0.985   6.168
  510    HB   THR  68           HB       THR  68   1.621  -2.760   7.183
  511    HG1  THR  68           HG1      THR  68   0.095  -1.183   8.855
  512   HG21  THR  68          HG21      THR  68   2.361  -0.651   9.201
  513   HG22  THR  68          HG22      THR  68   3.429  -1.869   8.465
  514   HG23  THR  68          HG23      THR  68   2.111  -2.382   9.508
  515    H    VAL  69           HN       VAL  69   1.764  -2.900   5.303
  516    HA   VAL  69           HA       VAL  69   0.045  -2.273   3.132
  517    HB   VAL  69           HB       VAL  69  -0.113  -4.869   3.110
  518   HG11  VAL  69          HG11      VAL  69   2.627  -3.561   3.011
  519   HG12  VAL  69          HG12      VAL  69   1.474  -3.574   1.678
  520   HG13  VAL  69          HG13      VAL  69   2.193  -5.083   2.238
  521   HG21  VAL  69          HG21      VAL  69   0.421  -5.173   5.425
  522   HG22  VAL  69          HG22      VAL  69   2.026  -4.482   5.158
  523   HG23  VAL  69          HG23      VAL  69   1.576  -6.001   4.385
  524    H    GLY  70           HN       GLY  70  -0.318  -3.788   6.304
  525    HA2  GLY  70           HA2      GLY  70  -2.999  -4.618   6.058
  526    HA3  GLY  70           HA1      GLY  70  -2.113  -4.419   7.562
  527    H    ASP  71           HN       ASP  71  -1.537  -1.710   7.425
  528    HA   ASP  71           HA       ASP  71  -4.106  -0.689   8.169
  529    HB2  ASP  71           HB2      ASP  71  -1.443   0.743   8.111
  530    HB3  ASP  71           HB1      ASP  71  -2.925   1.386   8.797
  531    H    ALA  72           HN       ALA  72  -2.012  -0.416   5.393
  532    HA   ALA  72           HA       ALA  72  -3.332   1.730   4.137
  533    HB1  ALA  72           HB1      ALA  72  -1.240   0.789   3.231
  534    HB2  ALA  72           HB2      ALA  72  -2.510   0.777   2.009
  535    HB3  ALA  72           HB3      ALA  72  -2.081  -0.713   2.850
  536    H    THR  73           HN       THR  73  -3.787  -1.798   3.652
  537    HA   THR  73           HA       THR  73  -6.186  -1.937   2.480
  538    HB   THR  73           HB       THR  73  -5.119  -3.557   4.782
  539    HG1  THR  73           HG1      THR  73  -3.642  -3.750   3.259
  540   HG21  THR  73          HG21      THR  73  -7.106  -4.270   2.621
  541   HG22  THR  73          HG22      THR  73  -7.493  -4.025   4.320
  542   HG23  THR  73          HG23      THR  73  -6.470  -5.383   3.835
  543    H    LYS  74           HN       LYS  74  -5.612  -1.435   5.964
  544    HA   LYS  74           HA       LYS  74  -8.218  -1.514   6.923
  545    HB2  LYS  74           HB2      LYS  74  -6.270  -1.538   8.357
  546    HB3  LYS  74           HB1      LYS  74  -5.823   0.074   7.840
  547    HG2  LYS  74           HG2      LYS  74  -6.739   0.122  10.059
  548    HG3  LYS  74           HG1      LYS  74  -7.820   0.959   8.946
  549    HD2  LYS  74           HD2      LYS  74  -9.320  -0.897   8.904
  550    HD3  LYS  74           HD1      LYS  74  -8.178  -1.903   9.803
  551    HE2  LYS  74           HE2      LYS  74  -9.500   0.600  10.835
  552    HE3  LYS  74           HE1      LYS  74  -9.974  -1.052  11.241
  553    HZ1  LYS  74           HZ1      LYS  74  -7.354   0.213  11.834
  554    HZ2  LYS  74           HZ2      LYS  74  -7.744  -1.382  12.196
  555    HZ3  LYS  74           HZ3      LYS  74  -8.566  -0.105  12.954
  556    H    TYR  75           HN       TYR  75  -6.500   1.049   5.310
  557    HA   TYR  75           HA       TYR  75  -8.432   3.099   5.867
  558    HB2  TYR  75           HB2      TYR  75  -6.026   3.538   5.315
  559    HB3  TYR  75           HB1      TYR  75  -6.339   2.962   3.689
  560    HD1  TYR  75           HD2      TYR  75  -7.642   4.353   2.115
  561    HD2  TYR  75           HD1      TYR  75  -6.767   5.694   6.050
  562    HE1  TYR  75           HE2      TYR  75  -8.242   6.648   1.465
  563    HE2  TYR  75           HE1      TYR  75  -7.354   7.987   5.403
  564    HH   TYR  75           HH       TYR  75  -7.561   9.354   3.453
  565    H    ILE  76           HN       ILE  76  -7.441   1.261   3.089
  566    HA   ILE  76           HA       ILE  76  -9.344   2.050   1.238
  567    HB   ILE  76           HB       ILE  76  -7.875  -0.593   1.453
  568   HG12  ILE  76          HG12      ILE  76  -7.059   1.920  -0.007
  569   HG13  ILE  76          HG11      ILE  76  -6.507   1.520   1.613
  570   HG21  ILE  76          HG21      ILE  76  -9.705  -0.588  -0.208
  571   HG22  ILE  76          HG22      ILE  76  -8.127  -0.641  -0.994
  572   HG23  ILE  76          HG23      ILE  76  -9.032   0.872  -0.936
  573   HD11  ILE  76          HD11      ILE  76  -6.005  -0.091  -0.873
  574   HD12  ILE  76          HD12      ILE  76  -5.458  -0.496   0.751
  575   HD13  ILE  76          HD13      ILE  76  -4.848   0.954  -0.048
  576    H    LEU  77           HN       LEU  77  -9.344  -0.851   3.302
  577    HA   LEU  77           HA       LEU  77 -11.734  -2.055   2.565
  578    HB2  LEU  77           HB2      LEU  77 -10.203  -3.093   4.103
  579    HB3  LEU  77           HB1      LEU  77 -10.424  -1.812   5.270
  580    HG   LEU  77           HG       LEU  77 -12.811  -2.561   5.493
  581   HD11  LEU  77          HD11      LEU  77 -11.838  -4.938   3.952
  582   HD12  LEU  77          HD12      LEU  77 -13.056  -3.768   3.440
  583   HD13  LEU  77          HD13      LEU  77 -13.373  -4.824   4.815
  584   HD21  LEU  77          HD21      LEU  77 -10.652  -4.522   6.244
  585   HD22  LEU  77          HD22      LEU  77 -12.261  -4.441   6.963
  586   HD23  LEU  77          HD23      LEU  77 -11.137  -3.097   7.164
  587    H    ASP  78           HN       ASP  78 -11.190   0.541   4.753
  588    HA   ASP  78           HA       ASP  78 -14.007   0.654   5.574
  589    HB2  ASP  78           HB2      ASP  78 -12.277   0.863   7.294
  590    HB3  ASP  78           HB1      ASP  78 -11.643   2.296   6.501
  591    H    HIS  79           HN       HIS  79 -11.832   2.351   3.548
  592    HA   HIS  79           HA       HIS  79 -13.652   4.614   3.244
  593    HB2  HIS  79           HB2      HIS  79 -10.733   4.286   2.797
  594    HB3  HIS  79           HB1      HIS  79 -11.541   5.622   2.022
  595    HD1  HIS  79           HD1      HIS  79 -11.949   7.681   3.513
  596    HD2  HIS  79           HD2      HIS  79 -10.808   4.317   5.688
  597    HE1  HIS  79           HE1      HIS  79 -11.526   8.482   5.828
  598    HE2  HIS  79           HE2      HIS  79 -10.746   6.494   7.111
  599    H    GLN  80           HN       GLN  80 -13.351   1.787   1.787
  600    HA   GLN  80           HA       GLN  80 -13.036   1.704  -0.816
  601    HB2  GLN  80           HB2      GLN  80 -15.418   0.859   0.738
  602    HB3  GLN  80           HB1      GLN  80 -15.254   0.433  -0.972
  603    HG2  GLN  80           HG2      GLN  80 -13.392  -0.302   1.277
  604    HG3  GLN  80           HG1      GLN  80 -14.592  -1.359   0.537
  605   HE21  GLN  80          HE21      GLN  80 -11.715  -1.581   0.740
  606   HE22  GLN  80          HE22      GLN  80 -11.136  -1.786  -0.879
  607    H    ALA  81           HN       ALA  81 -13.429   2.933  -2.486
  608    HA   ALA  81           HA       ALA  81 -15.540   4.902  -2.410
  609    HB1  ALA  81           HB1      ALA  81 -13.304   5.599  -3.146
  610    HB2  ALA  81           HB2      ALA  81 -14.479   5.770  -4.450
  611    HB3  ALA  81           HB3      ALA  81 -13.357   4.409  -4.447
  612    H2   SHW 101           H2A      SHW 101   2.618   6.352   3.783
  613    H2A  SHW 101           H2B      SHW 101   3.543   5.946   2.322
  614    H3   SHW 101           H3A      SHW 101   3.599   4.538   5.031
  615    HO3  SHW 101           HO3      SHW 101   4.821   3.818   2.558
  616    H4   SHW 101           H4A      SHW 101   1.490   4.178   3.875
  617    H4A  SHW 101           H4B      SHW 101   2.447   2.705   3.856
  618    H5   SHW 101           H5A      SHW 101   3.083   3.106   1.552
  619    H5A  SHW 101           H5B      SHW 101   2.195   4.632   1.555
  620    H6   SHW 101           H6A      SHW 101   0.117   3.400   2.016
  621    H6A  SHW 101           H6B      SHW 101   1.020   1.885   1.933
  622    H7   SHW 101           H7A      SHW 101   1.597   2.320  -0.388
  623    H7A  SHW 101           H7B      SHW 101   0.764   3.886  -0.314
  624    H8   SHW 101           H8C      SHW 101  -0.491   1.168   0.090
  625    H8A  SHW 101           H8A      SHW 101  -0.631   2.165  -1.357
  626    H8B  SHW 101           H8B      SHW 101  -1.332   2.718   0.163
  627    H28  SHW 101          H28A      SHW 101  11.095  11.765  -1.423
  628   H28A  SHW 101          H28B      SHW 101  10.062  10.519  -0.711
  629    H30  SHW 101          H30A      SHW 101  10.833  13.852   0.591
  630   H30A  SHW 101          H30B      SHW 101   9.380  14.628  -0.039
  631   H30B  SHW 101          H30C      SHW 101  10.632  14.063  -1.147
  632    H31  SHW 101          H31A      SHW 101   7.687  13.253  -1.301
  633   H31A  SHW 101          H31B      SHW 101   8.003  11.541  -1.567
  634   H31B  SHW 101          H31C      SHW 101   8.986  12.758  -2.386
  635    H32  SHW 101          H32A      SHW 101   9.346  12.199   1.882
  636   HO33  SHW 101          H33A      SHW 101   6.846  12.702   0.995
  637   HN36  SHW 101          H36A      SHW 101   9.570   9.892   1.409
  638    H37  SHW 101          H37A      SHW 101   7.081   8.407   1.800
  639   H37A  SHW 101          H37B      SHW 101   7.738   8.235   0.210
  640    H38  SHW 101          H38A      SHW 101   8.549   6.398   1.150
  641   H38A  SHW 101          H38B      SHW 101   9.970   7.478   1.321
  642   HN41  SHW 101          H41A      SHW 101   7.165   7.802   3.359
  643    H42  SHW 101          H42A      SHW 101   7.665   5.883   5.345
  644   H42A  SHW 101          H42B      SHW 101   8.513   7.368   5.691
  645    H43  SHW 101          H43A      SHW 101   6.319   8.625   5.396
  646   H43A  SHW 101          H43B      SHW 101   6.643   7.708   6.848
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1 -17.136  -0.729   1.084
    2    H2   ALA   1           HT2      ALA   1 -17.648  -2.263   0.585
    3    H3   ALA   1           HT3      ALA   1 -16.572  -1.423  -0.374
    4    HA   ALA   1           HA       ALA   1 -14.937  -1.608   1.455
    5    HB1  ALA   1           HB1      ALA   1 -16.555  -2.000   3.263
    6    HB2  ALA   1           HB2      ALA   1 -15.397  -3.324   3.154
    7    HB3  ALA   1           HB3      ALA   1 -17.027  -3.525   2.510
    8    H    ALA   2           HN       ALA   2 -13.567  -3.710   1.482
    9    HA   ALA   2           HA       ALA   2 -14.263  -5.431  -0.717
   10    HB1  ALA   2           HB1      ALA   2 -12.948  -3.619  -1.719
   11    HB2  ALA   2           HB2      ALA   2 -12.017  -5.117  -1.682
   12    HB3  ALA   2           HB3      ALA   2 -11.694  -3.846  -0.499
   13    H    THR   3           HN       THR   3 -12.381  -7.154  -0.755
   14    HA   THR   3           HA       THR   3 -12.365  -8.197   1.925
   15    HB   THR   3           HB       THR   3 -11.228  -9.358  -0.625
   16    HG1  THR   3           HG1      THR   3 -13.912  -9.031   0.262
   17   HG21  THR   3          HG21      THR   3 -10.729 -10.478   1.467
   18   HG22  THR   3          HG22      THR   3 -11.846 -11.455   0.489
   19   HG23  THR   3          HG23      THR   3 -12.446 -10.500   1.858
   20    H    GLN   4           HN       GLN   4 -10.565  -7.968   3.207
   21    HA   GLN   4           HA       GLN   4  -8.548  -6.162   2.640
   22    HB2  GLN   4           HB2      GLN   4  -8.454  -8.416   4.614
   23    HB3  GLN   4           HB1      GLN   4  -7.297  -7.100   4.540
   24    HG2  GLN   4           HG2      GLN   4  -9.235  -5.547   4.862
   25    HG3  GLN   4           HG1      GLN   4 -10.201  -6.972   5.242
   26   HE21  GLN   4          HE21      GLN   4  -7.881  -8.310   6.479
   27   HE22  GLN   4          HE22      GLN   4  -7.628  -7.527   7.998
   28    H    GLU   5           HN       GLU   5  -8.503  -9.562   2.241
   29    HA   GLU   5           HA       GLU   5  -5.729  -9.831   1.733
   30    HB2  GLU   5           HB2      GLU   5  -7.832 -11.683   0.619
   31    HB3  GLU   5           HB1      GLU   5  -6.161 -12.058   1.004
   32    HG2  GLU   5           HG2      GLU   5  -7.272 -13.035   2.762
   33    HG3  GLU   5           HG1      GLU   5  -6.897 -11.451   3.442
   34    H    GLU   6           HN       GLU   6  -8.408  -8.992  -0.241
   35    HA   GLU   6           HA       GLU   6  -7.070  -9.359  -2.741
   36    HB2  GLU   6           HB2      GLU   6  -9.561  -9.488  -2.414
   37    HB3  GLU   6           HB1      GLU   6  -9.559  -7.762  -2.108
   38    HG2  GLU   6           HG2      GLU   6 -10.281  -8.146  -4.351
   39    HG3  GLU   6           HG1      GLU   6  -8.675  -7.417  -4.406
   40    H    ILE   7           HN       ILE   7  -7.604  -6.883  -0.397
   41    HA   ILE   7           HA       ILE   7  -6.751  -4.666  -1.968
   42    HB   ILE   7           HB       ILE   7  -6.798  -4.944   1.035
   43   HG12  ILE   7          HG12      ILE   7  -9.081  -4.346  -0.877
   44   HG13  ILE   7          HG11      ILE   7  -8.926  -5.611   0.287
   45   HG21  ILE   7          HG21      ILE   7  -5.638  -2.954   0.193
   46   HG22  ILE   7          HG22      ILE   7  -7.148  -2.489   0.974
   47   HG23  ILE   7          HG23      ILE   7  -7.043  -2.533  -0.789
   48   HD11  ILE   7          HD11      ILE   7  -9.171  -2.720   1.047
   49   HD12  ILE   7          HD12      ILE   7  -9.135  -4.107   2.136
   50   HD13  ILE   7          HD13      ILE   7 -10.488  -3.891   1.029
   51    H    VAL   8           HN       VAL   8  -5.332  -6.564   0.665
   52    HA   VAL   8           HA       VAL   8  -2.773  -5.510   0.599
   53    HB   VAL   8           HB       VAL   8  -3.766  -8.261   1.416
   54   HG11  VAL   8          HG11      VAL   8  -1.434  -8.425   0.843
   55   HG12  VAL   8          HG12      VAL   8  -1.656  -8.564   2.591
   56   HG13  VAL   8          HG13      VAL   8  -1.040  -7.055   1.889
   57   HG21  VAL   8          HG21      VAL   8  -2.980  -5.825   3.020
   58   HG22  VAL   8          HG22      VAL   8  -3.560  -7.353   3.686
   59   HG23  VAL   8          HG23      VAL   8  -4.619  -6.352   2.699
   60    H    ALA   9           HN       ALA   9  -4.140  -8.188  -1.297
   61    HA   ALA   9           HA       ALA   9  -1.800  -8.883  -2.709
   62    HB1  ALA   9           HB1      ALA   9  -3.812 -10.286  -2.700
   63    HB2  ALA   9           HB2      ALA   9  -3.304  -9.886  -4.348
   64    HB3  ALA   9           HB3      ALA   9  -4.669  -9.045  -3.620
   65    H    GLY  10           HN       GLY  10  -4.266  -6.460  -3.233
   66    HA2  GLY  10           HA2      GLY  10  -3.461  -5.593  -5.799
   67    HA3  GLY  10           HA1      GLY  10  -4.399  -4.662  -4.625
   68    H    LEU  11           HN       LEU  11  -2.645  -4.607  -2.543
   69    HA   LEU  11           HA       LEU  11  -0.858  -2.556  -3.262
   70    HB2  LEU  11           HB2      LEU  11  -0.942  -4.320  -0.822
   71    HB3  LEU  11           HB1      LEU  11   0.064  -2.899  -0.990
   72    HG   LEU  11           HG       LEU  11  -2.954  -2.879  -1.041
   73   HD11  LEU  11          HD11      LEU  11  -1.026  -2.104   1.136
   74   HD12  LEU  11          HD12      LEU  11  -2.097  -3.503   1.146
   75   HD13  LEU  11          HD13      LEU  11  -2.773  -1.873   1.175
   76   HD21  LEU  11          HD21      LEU  11  -2.694  -0.453  -0.835
   77   HD22  LEU  11          HD22      LEU  11  -1.947  -1.053  -2.315
   78   HD23  LEU  11          HD23      LEU  11  -0.940  -0.633  -0.927
   79    H    ALA  12           HN       ALA  12  -0.408  -5.985  -2.585
   80    HA   ALA  12           HA       ALA  12   2.346  -6.168  -2.752
   81    HB1  ALA  12           HB1      ALA  12   0.862  -7.960  -1.928
   82    HB2  ALA  12           HB2      ALA  12   2.012  -8.569  -3.096
   83    HB3  ALA  12           HB3      ALA  12   0.339  -8.276  -3.575
   84    H    GLU  13           HN       GLU  13  -0.032  -6.406  -5.367
   85    HA   GLU  13           HA       GLU  13   1.928  -6.936  -7.363
   86    HB2  GLU  13           HB2      GLU  13   0.246  -6.329  -9.083
   87    HB3  GLU  13           HB1      GLU  13  -0.377  -7.481  -7.913
   88    HG2  GLU  13           HG2      GLU  13  -1.672  -5.821  -6.852
   89    HG3  GLU  13           HG1      GLU  13  -0.873  -4.529  -7.736
   90    H    ILE  14           HN       ILE  14   0.701  -4.001  -6.147
   91    HA   ILE  14           HA       ILE  14   1.919  -2.213  -7.967
   92    HB   ILE  14           HB       ILE  14   0.996  -1.951  -5.102
   93   HG12  ILE  14          HG12      ILE  14  -0.252  -0.934  -7.646
   94   HG13  ILE  14          HG11      ILE  14  -0.649  -2.480  -6.905
   95   HG21  ILE  14          HG21      ILE  14   1.821   0.236  -6.997
   96   HG22  ILE  14          HG22      ILE  14   2.685  -0.257  -5.541
   97   HG23  ILE  14          HG23      ILE  14   1.077   0.468  -5.412
   98   HD11  ILE  14          HD11      ILE  14  -0.990   0.216  -5.630
   99   HD12  ILE  14          HD12      ILE  14  -1.371  -1.373  -4.929
  100   HD13  ILE  14          HD13      ILE  14  -2.263  -0.802  -6.340
  101    H    VAL  15           HN       VAL  15   2.827  -3.405  -4.768
  102    HA   VAL  15           HA       VAL  15   5.300  -2.148  -4.519
  103    HB   VAL  15           HB       VAL  15   4.398  -4.806  -3.374
  104   HG11  VAL  15          HG11      VAL  15   6.835  -4.630  -3.295
  105   HG12  VAL  15          HG12      VAL  15   6.141  -4.498  -1.680
  106   HG13  VAL  15          HG13      VAL  15   6.701  -3.051  -2.521
  107   HG21  VAL  15          HG21      VAL  15   4.420  -2.041  -2.193
  108   HG22  VAL  15          HG22      VAL  15   3.953  -3.518  -1.350
  109   HG23  VAL  15          HG23      VAL  15   2.997  -2.943  -2.717
  110    H    ASN  16           HN       ASN  16   4.506  -5.276  -5.992
  111    HA   ASN  16           HA       ASN  16   7.185  -6.002  -6.475
  112    HB2  ASN  16           HB2      ASN  16   5.268  -7.578  -6.544
  113    HB3  ASN  16           HB1      ASN  16   4.788  -6.872  -8.081
  114   HD21  ASN  16          HD21      ASN  16   7.316  -8.576  -6.447
  115   HD22  ASN  16          HD22      ASN  16   8.073  -9.288  -7.819
  116    H    GLU  17           HN       GLU  17   4.985  -4.062  -8.261
  117    HA   GLU  17           HA       GLU  17   6.527  -3.939 -10.679
  118    HB2  GLU  17           HB2      GLU  17   3.982  -3.477 -10.240
  119    HB3  GLU  17           HB1      GLU  17   4.526  -1.878  -9.787
  120    HG2  GLU  17           HG2      GLU  17   4.770  -3.197 -12.482
  121    HG3  GLU  17           HG1      GLU  17   3.748  -1.838 -12.042
  122    H    ILE  18           HN       ILE  18   5.824  -1.674  -8.060
  123    HA   ILE  18           HA       ILE  18   7.641   0.305  -9.066
  124    HB   ILE  18           HB       ILE  18   5.939   0.299  -6.540
  125   HG12  ILE  18          HG12      ILE  18   5.528   1.725  -9.129
  126   HG13  ILE  18          HG11      ILE  18   4.789   0.139  -8.833
  127   HG21  ILE  18          HG21      ILE  18   6.300   2.689  -6.572
  128   HG22  ILE  18          HG22      ILE  18   7.382   2.518  -7.958
  129   HG23  ILE  18          HG23      ILE  18   7.819   1.810  -6.399
  130   HD11  ILE  18          HD11      ILE  18   4.339   2.728  -7.370
  131   HD12  ILE  18          HD12      ILE  18   3.608   1.184  -6.931
  132   HD13  ILE  18          HD13      ILE  18   3.227   1.932  -8.482
  133    H    ALA  19           HN       ALA  19   7.546  -1.609  -6.049
  134    HA   ALA  19           HA       ALA  19  10.085  -0.539  -5.144
  135    HB1  ALA  19           HB1      ALA  19   8.336  -1.087  -3.544
  136    HB2  ALA  19           HB2      ALA  19   9.782  -2.067  -3.271
  137    HB3  ALA  19           HB3      ALA  19   8.378  -2.771  -4.069
  138    H    GLY  20           HN       GLY  20   8.810  -3.448  -6.588
  139    HA2  GLY  20           HA2      GLY  20   9.991  -5.080  -7.790
  140    HA3  GLY  20           HA1      GLY  20  11.502  -4.394  -7.196
  141    H    ILE  21           HN       ILE  21   8.788  -5.173  -5.184
  142    HA   ILE  21           HA       ILE  21  10.417  -7.212  -3.843
  143    HB   ILE  21           HB       ILE  21   8.259  -5.389  -2.748
  144   HG12  ILE  21          HG12      ILE  21  10.380  -4.268  -3.020
  145   HG13  ILE  21          HG11      ILE  21  10.060  -4.510  -1.309
  146   HG21  ILE  21          HG21      ILE  21   8.663  -6.366  -0.536
  147   HG22  ILE  21          HG22      ILE  21   9.736  -7.560  -1.264
  148   HG23  ILE  21          HG23      ILE  21   8.021  -7.551  -1.676
  149   HD11  ILE  21          HD11      ILE  21  11.916  -6.154  -3.019
  150   HD12  ILE  21          HD12      ILE  21  11.593  -6.420  -1.305
  151   HD13  ILE  21          HD13      ILE  21  12.390  -4.936  -1.833
  152    HA   PRO  22           HA       PRO  22   7.709 -10.583  -5.095
  153    HB2  PRO  22           HB2      PRO  22   7.819 -11.375  -2.316
  154    HB3  PRO  22           HB1      PRO  22   8.531 -12.159  -3.726
  155    HG2  PRO  22           HG2      PRO  22   9.765 -10.319  -1.795
  156    HG3  PRO  22           HG1      PRO  22  10.535 -11.448  -2.926
  157    HD2  PRO  22           HD2      PRO  22  10.680  -8.790  -3.312
  158    HD3  PRO  22           HD1      PRO  22  10.470  -9.937  -4.667
  159    H    VAL  23           HN       VAL  23   5.664 -10.574  -5.310
  160    HA   VAL  23           HA       VAL  23   3.776  -8.997  -3.934
  161    HB   VAL  23           HB       VAL  23   3.445 -11.516  -5.629
  162   HG11  VAL  23          HG11      VAL  23   1.106 -10.903  -5.958
  163   HG12  VAL  23          HG12      VAL  23   1.290  -9.570  -4.821
  164   HG13  VAL  23          HG13      VAL  23   1.446 -11.234  -4.260
  165   HG21  VAL  23          HG21      VAL  23   4.432  -9.674  -6.842
  166   HG22  VAL  23          HG22      VAL  23   3.120  -8.612  -6.334
  167   HG23  VAL  23          HG23      VAL  23   2.788  -9.972  -7.407
  168    H    GLU  24           HN       GLU  24   5.206 -11.993  -3.378
  169    HA   GLU  24           HA       GLU  24   3.243 -12.831  -1.558
  170    HB2  GLU  24           HB2      GLU  24   4.663 -14.873  -1.228
  171    HB3  GLU  24           HB1      GLU  24   4.177 -14.558  -2.890
  172    HG2  GLU  24           HG2      GLU  24   6.359 -13.600  -3.366
  173    HG3  GLU  24           HG1      GLU  24   6.847 -13.858  -1.693
  174    H    ASP  25           HN       ASP  25   6.154 -11.005  -1.296
  175    HA   ASP  25           HA       ASP  25   6.747 -11.834   1.442
  176    HB2  ASP  25           HB2      ASP  25   8.596 -11.155  -0.135
  177    HB3  ASP  25           HB1      ASP  25   7.955  -9.518  -0.116
  178    H    VAL  26           HN       VAL  26   4.789  -9.852  -0.160
  179    HA   VAL  26           HA       VAL  26   4.428  -7.735   1.752
  180    HB   VAL  26           HB       VAL  26   2.987  -8.479  -0.826
  181   HG11  VAL  26          HG11      VAL  26   1.391  -7.439   0.731
  182   HG12  VAL  26          HG12      VAL  26   1.757  -6.439  -0.671
  183   HG13  VAL  26          HG13      VAL  26   2.482  -6.047   0.902
  184   HG21  VAL  26          HG21      VAL  26   3.991  -6.421  -1.646
  185   HG22  VAL  26          HG22      VAL  26   5.232  -7.530  -1.041
  186   HG23  VAL  26          HG23      VAL  26   4.718  -6.149  -0.066
  187    H    LYS  27           HN       LYS  27   4.205  -9.340   3.432
  188    HA   LYS  27           HA       LYS  27   1.664 -10.662   3.846
  189    HB2  LYS  27           HB2      LYS  27   4.019 -10.054   5.621
  190    HB3  LYS  27           HB1      LYS  27   2.718 -11.174   5.946
  191    HG2  LYS  27           HG2      LYS  27   4.668 -11.482   3.689
  192    HG3  LYS  27           HG1      LYS  27   4.902 -12.237   5.279
  193    HD2  LYS  27           HD2      LYS  27   2.550 -13.240   4.827
  194    HD3  LYS  27           HD1      LYS  27   2.857 -12.780   3.152
  195    HE2  LYS  27           HE2      LYS  27   4.536 -14.622   4.856
  196    HE3  LYS  27           HE1      LYS  27   3.509 -15.087   3.507
  197    HZ1  LYS  27           HZ1      LYS  27   5.812 -15.021   2.837
  198    HZ2  LYS  27           HZ2      LYS  27   5.991 -13.429   3.324
  199    HZ3  LYS  27           HZ3      LYS  27   4.981 -13.801   2.030
  200    H    LEU  28           HN       LEU  28   0.465 -10.040   5.779
  201    HA   LEU  28           HA       LEU  28  -0.191  -7.253   5.395
  202    HB2  LEU  28           HB2      LEU  28  -1.829  -9.173   5.569
  203    HB3  LEU  28           HB1      LEU  28  -1.453  -9.220   7.276
  204    HG   LEU  28           HG       LEU  28  -2.394  -6.687   6.086
  205   HD11  LEU  28          HD11      LEU  28  -4.126  -9.037   6.844
  206   HD12  LEU  28          HD12      LEU  28  -3.887  -8.380   5.214
  207   HD13  LEU  28          HD13      LEU  28  -4.729  -7.417   6.443
  208   HD21  LEU  28          HD21      LEU  28  -3.504  -6.439   8.286
  209   HD22  LEU  28          HD22      LEU  28  -1.772  -6.719   8.452
  210   HD23  LEU  28          HD23      LEU  28  -2.909  -8.036   8.750
  211    H    ASP  29           HN       ASP  29   1.916  -8.675   7.355
  212    HA   ASP  29           HA       ASP  29   1.535  -6.789   9.558
  213    HB2  ASP  29           HB2      ASP  29   2.918  -8.135  10.790
  214    HB3  ASP  29           HB1      ASP  29   1.967  -9.291   9.873
  215    H    LYS  30           HN       LYS  30   2.878  -6.774   6.644
  216    HA   LYS  30           HA       LYS  30   5.559  -5.939   7.375
  217    HB2  LYS  30           HB2      LYS  30   4.267  -6.494   4.731
  218    HB3  LYS  30           HB1      LYS  30   5.916  -5.923   4.908
  219    HG2  LYS  30           HG2      LYS  30   4.879  -8.470   6.142
  220    HG3  LYS  30           HG1      LYS  30   5.669  -8.390   4.567
  221    HD2  LYS  30           HD2      LYS  30   7.684  -7.499   5.617
  222    HD3  LYS  30           HD1      LYS  30   6.886  -7.533   7.189
  223    HE2  LYS  30           HE2      LYS  30   7.255  -9.986   5.489
  224    HE3  LYS  30           HE1      LYS  30   8.450  -9.455   6.670
  225    HZ1  LYS  30           HZ1      LYS  30   6.953  -9.806   8.418
  226    HZ2  LYS  30           HZ2      LYS  30   6.785 -11.177   7.439
  227    HZ3  LYS  30           HZ3      LYS  30   5.613  -9.977   7.430
  228    H    SER  31           HN       SER  31   6.143  -3.901   7.593
  229    HA   SER  31           HA       SER  31   4.467  -1.795   6.615
  230    HB2  SER  31           HB2      SER  31   7.129  -1.643   8.000
  231    HB3  SER  31           HB1      SER  31   5.784  -0.499   8.019
  232    HG   SER  31           HG       SER  31   6.072  -2.950   9.293
  233    H    PHE  32           HN       PHE  32   4.815  -1.407   4.500
  234    HA   PHE  32           HA       PHE  32   6.520  -2.056   2.646
  235    HB2  PHE  32           HB2      PHE  32   5.815   0.867   2.925
  236    HB3  PHE  32           HB1      PHE  32   6.340   0.005   1.495
  237    HD1  PHE  32           HD1      PHE  32   4.934  -1.525   0.307
  238    HD2  PHE  32           HD2      PHE  32   3.546   0.544   3.738
  239    HE1  PHE  32           HE1      PHE  32   2.633  -2.137  -0.264
  240    HE2  PHE  32           HE2      PHE  32   1.245  -0.045   3.177
  241    HZ   PHE  32           HZ       PHE  32   0.788  -1.362   1.096
  242    H    THR  33           HN       THR  33   7.547   1.204   3.753
  243    HA   THR  33           HA       THR  33  10.222   0.303   3.208
  244    HB   THR  33           HB       THR  33  10.652   2.831   3.951
  245    HG1  THR  33           HG1      THR  33   8.362   3.094   4.456
  246   HG21  THR  33          HG21      THR  33  10.427   3.391   1.560
  247   HG22  THR  33          HG22      THR  33   9.517   1.907   1.301
  248   HG23  THR  33          HG23      THR  33  11.201   1.829   1.787
  249    H    ASP  34           HN       ASP  34   9.954  -1.196   5.053
  250    HA   ASP  34           HA       ASP  34  11.793  -0.427   7.092
  251    HB2  ASP  34           HB2      ASP  34   9.603   0.568   7.991
  252    HB3  ASP  34           HB1      ASP  34   8.995  -1.075   8.036
  253    H    ASP  35           HN       ASP  35   9.082  -2.533   6.402
  254    HA   ASP  35           HA       ASP  35  10.593  -4.893   7.192
  255    HB2  ASP  35           HB2      ASP  35   7.692  -4.416   6.543
  256    HB3  ASP  35           HB1      ASP  35   8.303  -6.037   6.688
  257    H    LEU  36           HN       LEU  36   8.653  -3.791   4.435
  258    HA   LEU  36           HA       LEU  36   9.449  -5.971   2.758
  259    HB2  LEU  36           HB2      LEU  36   8.109  -3.360   2.088
  260    HB3  LEU  36           HB1      LEU  36   8.332  -4.682   0.958
  261    HG   LEU  36           HG       LEU  36   6.703  -4.843   3.490
  262   HD11  LEU  36          HD11      LEU  36   5.688  -3.342   1.846
  263   HD12  LEU  36          HD12      LEU  36   4.778  -4.846   1.992
  264   HD13  LEU  36          HD13      LEU  36   5.844  -4.591   0.611
  265   HD21  LEU  36          HD21      LEU  36   7.676  -6.960   2.800
  266   HD22  LEU  36          HD22      LEU  36   7.028  -6.733   1.174
  267   HD23  LEU  36          HD23      LEU  36   5.932  -6.947   2.540
  268    H    ASP  37           HN       ASP  37  10.320  -2.596   2.972
  269    HA   ASP  37           HA       ASP  37  12.003  -1.355   2.289
  270    HB2  ASP  37           HB2      ASP  37  13.699  -3.002   2.833
  271    HB3  ASP  37           HB1      ASP  37  13.339  -3.921   1.372
  272    H    VAL  38           HN       VAL  38  10.939  -0.207   1.020
  273    HA   VAL  38           HA       VAL  38  10.422  -1.118  -1.711
  274    HB   VAL  38           HB       VAL  38   9.230   1.218  -0.147
  275   HG11  VAL  38          HG11      VAL  38   8.515   0.304  -2.946
  276   HG12  VAL  38          HG12      VAL  38   9.337   1.805  -2.530
  277   HG13  VAL  38          HG13      VAL  38   7.672   1.542  -2.011
  278   HG21  VAL  38          HG21      VAL  38   8.054  -1.401  -1.053
  279   HG22  VAL  38          HG22      VAL  38   7.147  -0.085  -0.317
  280   HG23  VAL  38          HG23      VAL  38   8.404  -0.913   0.608
  281    H    ASP  39           HN       ASP  39  10.762   2.142  -0.724
  282    HA   ASP  39           HA       ASP  39  13.335   2.809  -1.452
  283    HB2  ASP  39           HB2      ASP  39  12.323   2.130  -3.839
  284    HB3  ASP  39           HB1      ASP  39  11.339   3.571  -3.523
  285    H    SER  40           HN       SER  40  12.973   5.285  -2.144
  286    HA   SER  40           HA       SER  40  11.248   6.209   0.025
  287    HB2  SER  40           HB2      SER  40  13.783   6.643   0.022
  288    HB3  SER  40           HB1      SER  40  13.458   7.812  -1.263
  289    H    LEU  41           HN       LEU  41  12.023   6.555  -3.333
  290    HA   LEU  41           HA       LEU  41  10.141   8.756  -3.763
  291    HB2  LEU  41           HB2      LEU  41  11.782   7.162  -5.725
  292    HB3  LEU  41           HB1      LEU  41  10.835   8.584  -6.106
  293    HG   LEU  41           HG       LEU  41  13.246   8.514  -4.307
  294   HD11  LEU  41          HD11      LEU  41  12.881   9.546  -7.110
  295   HD12  LEU  41          HD12      LEU  41  13.806   8.121  -6.630
  296   HD13  LEU  41          HD13      LEU  41  14.332   9.726  -6.124
  297   HD21  LEU  41          HD21      LEU  41  11.594  10.833  -5.315
  298   HD22  LEU  41          HD22      LEU  41  13.083  10.959  -4.376
  299   HD23  LEU  41          HD23      LEU  41  11.644  10.241  -3.655
  300    H    SER  42           HN       SER  42  10.574   5.399  -4.356
  301    HA   SER  42           HA       SER  42   8.345   4.995  -6.036
  302    HB2  SER  42           HB2      SER  42   9.998   3.064  -4.416
  303    HB3  SER  42           HB1      SER  42   8.896   2.623  -5.722
  304    HG   SER  42           HG       SER  42  10.126   3.909  -7.109
  305    H    MET  43           HN       MET  43   8.688   5.428  -2.725
  306    HA   MET  43           HA       MET  43   6.637   3.857  -1.642
  307    HB2  MET  43           HB2      MET  43   8.274   4.908  -0.252
  308    HB3  MET  43           HB1      MET  43   7.785   6.505  -0.799
  309    HG2  MET  43           HG2      MET  43   7.006   5.814   1.467
  310    HG3  MET  43           HG1      MET  43   5.761   6.392   0.345
  311    HE1  MET  43           HE1      MET  43   7.489   3.003   0.007
  312    HE2  MET  43           HE2      MET  43   6.439   1.896   0.890
  313    HE3  MET  43           HE3      MET  43   7.448   3.056   1.776
  314    H    VAL  44           HN       VAL  44   6.657   7.162  -2.909
  315    HA   VAL  44           HA       VAL  44   3.930   7.571  -2.322
  316    HB   VAL  44           HB       VAL  44   5.789   9.218  -4.072
  317   HG11  VAL  44          HG11      VAL  44   3.437   9.738  -4.515
  318   HG12  VAL  44          HG12      VAL  44   4.228  11.069  -3.671
  319   HG13  VAL  44          HG13      VAL  44   3.159   9.979  -2.791
  320   HG21  VAL  44          HG21      VAL  44   6.646   8.993  -1.809
  321   HG22  VAL  44          HG22      VAL  44   5.095   9.475  -1.143
  322   HG23  VAL  44          HG23      VAL  44   6.051  10.635  -2.062
  323    H    GLU  45           HN       GLU  45   5.646   6.119  -4.955
  324    HA   GLU  45           HA       GLU  45   3.665   6.469  -6.936
  325    HB2  GLU  45           HB2      GLU  45   5.794   4.349  -6.603
  326    HB3  GLU  45           HB1      GLU  45   4.863   4.638  -8.064
  327    HG2  GLU  45           HG2      GLU  45   6.769   6.580  -6.791
  328    HG3  GLU  45           HG1      GLU  45   7.111   5.567  -8.193
  329    H    VAL  46           HN       VAL  46   4.367   4.138  -4.402
  330    HA   VAL  46           HA       VAL  46   2.450   2.177  -5.048
  331    HB   VAL  46           HB       VAL  46   3.537   2.961  -2.304
  332   HG11  VAL  46          HG11      VAL  46   2.918   0.706  -1.591
  333   HG12  VAL  46          HG12      VAL  46   2.185   0.401  -3.166
  334   HG13  VAL  46          HG13      VAL  46   1.502   1.628  -2.095
  335   HG21  VAL  46          HG21      VAL  46   5.305   2.328  -3.846
  336   HG22  VAL  46          HG22      VAL  46   4.457   0.829  -4.229
  337   HG23  VAL  46          HG23      VAL  46   5.097   1.095  -2.604
  338    H    VAL  47           HN       VAL  47   2.356   5.000  -2.960
  339    HA   VAL  47           HA       VAL  47  -0.262   4.959  -1.996
  340    HB   VAL  47           HB       VAL  47   1.289   7.402  -2.914
  341   HG11  VAL  47          HG11      VAL  47  -1.043   7.886  -2.422
  342   HG12  VAL  47          HG12      VAL  47   0.012   8.602  -1.206
  343   HG13  VAL  47          HG13      VAL  47  -0.881   7.129  -0.841
  344   HG21  VAL  47          HG21      VAL  47   2.657   6.049  -1.426
  345   HG22  VAL  47          HG22      VAL  47   1.351   6.002  -0.240
  346   HG23  VAL  47          HG23      VAL  47   2.146   7.530  -0.616
  347    H    VAL  48           HN       VAL  48   0.877   6.928  -4.720
  348    HA   VAL  48           HA       VAL  48  -1.408   7.667  -6.010
  349    HB   VAL  48           HB       VAL  48   1.167   6.732  -7.317
  350   HG11  VAL  48          HG11      VAL  48   0.508   8.084  -9.251
  351   HG12  VAL  48          HG12      VAL  48  -1.045   8.419  -8.487
  352   HG13  VAL  48          HG13      VAL  48  -0.633   6.771  -8.963
  353   HG21  VAL  48          HG21      VAL  48   1.476   8.562  -5.744
  354   HG22  VAL  48          HG22      VAL  48   0.205   9.486  -6.548
  355   HG23  VAL  48          HG23      VAL  48   1.707   9.120  -7.400
  356    H    ALA  49           HN       ALA  49   0.320   4.611  -6.739
  357    HA   ALA  49           HA       ALA  49  -1.537   3.698  -8.633
  358    HB1  ALA  49           HB1      ALA  49  -0.402   1.563  -8.513
  359    HB2  ALA  49           HB2      ALA  49   0.374   2.042  -7.000
  360    HB3  ALA  49           HB3      ALA  49   0.770   2.882  -8.500
  361    H    ALA  50           HN       ALA  50  -1.404   3.217  -5.135
  362    HA   ALA  50           HA       ALA  50  -3.342   1.190  -4.941
  363    HB1  ALA  50           HB1      ALA  50  -2.752   3.382  -2.947
  364    HB2  ALA  50           HB2      ALA  50  -1.888   1.849  -3.070
  365    HB3  ALA  50           HB3      ALA  50  -3.591   1.866  -2.615
  366    H    GLU  51           HN       GLU  51  -3.644   4.698  -5.157
  367    HA   GLU  51           HA       GLU  51  -6.361   4.936  -4.616
  368    HB2  GLU  51           HB2      GLU  51  -4.750   6.561  -6.578
  369    HB3  GLU  51           HB1      GLU  51  -6.263   7.020  -5.815
  370    HG2  GLU  51           HG2      GLU  51  -5.124   7.007  -3.632
  371    HG3  GLU  51           HG1      GLU  51  -3.609   6.648  -4.466
  372    H    GLU  52           HN       GLU  52  -4.655   4.292  -7.619
  373    HA   GLU  52           HA       GLU  52  -7.035   4.284  -9.210
  374    HB2  GLU  52           HB2      GLU  52  -4.894   4.825 -10.221
  375    HB3  GLU  52           HB1      GLU  52  -4.273   3.238  -9.786
  376    HG2  GLU  52           HG2      GLU  52  -5.990   2.213 -11.236
  377    HG3  GLU  52           HG1      GLU  52  -6.499   3.822 -11.732
  378    H    ARG  53           HN       ARG  53  -5.136   1.845  -7.534
  379    HA   ARG  53           HA       ARG  53  -5.987  -0.379  -9.046
  380    HB2  ARG  53           HB2      ARG  53  -3.913  -0.345  -7.687
  381    HB3  ARG  53           HB1      ARG  53  -4.895  -0.336  -6.230
  382    HG2  ARG  53           HG2      ARG  53  -4.219  -2.569  -6.489
  383    HG3  ARG  53           HG1      ARG  53  -5.885  -2.535  -7.061
  384    HD2  ARG  53           HD2      ARG  53  -3.381  -2.549  -8.743
  385    HD3  ARG  53           HD1      ARG  53  -4.515  -3.877  -8.549
  386    HE   ARG  53           HE       ARG  53  -6.070  -1.940  -9.587
  387   HH11  ARG  53          HH11      ARG  53  -3.054  -3.446 -10.667
  388   HH12  ARG  53          HH12      ARG  53  -3.211  -2.875 -12.273
  389   HH21  ARG  53          HH21      ARG  53  -6.275  -1.205 -11.744
  390   HH22  ARG  53          HH22      ARG  53  -5.074  -1.593 -12.913
  391    H    PHE  54           HN       PHE  54  -7.175   1.185  -6.206
  392    HA   PHE  54           HA       PHE  54  -9.222  -0.905  -5.963
  393    HB2  PHE  54           HB2      PHE  54  -8.259   1.089  -3.925
  394    HB3  PHE  54           HB1      PHE  54  -9.406  -0.215  -3.663
  395    HD1  PHE  54           HD1      PHE  54  -8.377  -2.591  -4.603
  396    HD2  PHE  54           HD2      PHE  54  -6.177   0.709  -3.051
  397    HE1  PHE  54           HE1      PHE  54  -6.521  -4.098  -4.026
  398    HE2  PHE  54           HE2      PHE  54  -4.340  -0.807  -2.460
  399    HZ   PHE  54           HZ       PHE  54  -4.484  -3.179  -3.006
  400    H    ASP  55           HN       ASP  55  -8.803   1.946  -7.316
  401    HA   ASP  55           HA       ASP  55  -9.835   3.868  -7.732
  402    HB2  ASP  55           HB2      ASP  55 -11.443   2.179  -8.826
  403    HB3  ASP  55           HB1      ASP  55 -12.457   2.414  -7.420
  404    H    VAL  56           HN       VAL  56  -9.015   4.407  -5.685
  405    HA   VAL  56           HA       VAL  56 -11.117   5.451  -3.970
  406    HB   VAL  56           HB       VAL  56  -9.700   4.980  -1.928
  407   HG11  VAL  56          HG11      VAL  56 -11.560   3.523  -2.435
  408   HG12  VAL  56          HG12      VAL  56 -10.227   2.626  -1.705
  409   HG13  VAL  56          HG13      VAL  56 -10.516   2.518  -3.445
  410   HG21  VAL  56          HG21      VAL  56  -8.104   3.242  -3.815
  411   HG22  VAL  56          HG22      VAL  56  -7.913   3.305  -2.062
  412   HG23  VAL  56          HG23      VAL  56  -7.533   4.722  -3.041
  413    H    LYS  57           HN       LYS  57  -9.440   6.820  -2.213
  414    HA   LYS  57           HA       LYS  57  -7.584   8.283  -3.872
  415    HB2  LYS  57           HB2      LYS  57  -9.926   9.338  -3.940
  416    HB3  LYS  57           HB1      LYS  57  -9.723   9.645  -2.221
  417    HG2  LYS  57           HG2      LYS  57  -9.179  11.614  -3.435
  418    HG3  LYS  57           HG1      LYS  57  -7.697  10.946  -2.744
  419    HD2  LYS  57           HD2      LYS  57  -7.273   9.845  -4.950
  420    HD3  LYS  57           HD1      LYS  57  -8.647  10.747  -5.594
  421    HE2  LYS  57           HE2      LYS  57  -6.556  11.880  -6.107
  422    HE3  LYS  57           HE1      LYS  57  -7.530  12.849  -5.002
  423    HZ1  LYS  57           HZ1      LYS  57  -6.185  12.143  -3.176
  424    HZ2  LYS  57           HZ2      LYS  57  -5.139  12.718  -4.354
  425    HZ3  LYS  57           HZ3      LYS  57  -5.353  11.040  -4.143
  426    H    ILE  58           HN       ILE  58  -5.797   8.415  -2.746
  427    HA   ILE  58           HA       ILE  58  -5.871   8.575   0.158
  428    HB   ILE  58           HB       ILE  58  -3.999   6.620  -1.230
  429   HG12  ILE  58          HG12      ILE  58  -6.541   5.871   0.240
  430   HG13  ILE  58          HG11      ILE  58  -6.353   5.826  -1.509
  431   HG21  ILE  58          HG21      ILE  58  -3.686   5.753   1.061
  432   HG22  ILE  58          HG22      ILE  58  -4.824   6.944   1.663
  433   HG23  ILE  58          HG23      ILE  58  -3.292   7.471   0.960
  434   HD11  ILE  58          HD11      ILE  58  -4.804   4.195   0.484
  435   HD12  ILE  58          HD12      ILE  58  -4.595   4.148  -1.266
  436   HD13  ILE  58          HD13      ILE  58  -6.115   3.621  -0.543
  437    HA   PRO  59           HA       PRO  59  -2.921  11.328  -1.886
  438    HB2  PRO  59           HB2      PRO  59  -3.031  13.322  -0.096
  439    HB3  PRO  59           HB1      PRO  59  -4.283  13.098  -1.323
  440    HG2  PRO  59           HG2      PRO  59  -4.303  12.343   1.565
  441    HG3  PRO  59           HG1      PRO  59  -5.602  13.040   0.580
  442    HD2  PRO  59           HD2      PRO  59  -5.409  10.378   1.203
  443    HD3  PRO  59           HD1      PRO  59  -6.228  10.999  -0.245
  444    H    ASP  60           HN       ASP  60  -0.859  11.906  -1.410
  445    HA   ASP  60           HA       ASP  60   0.857  10.499   0.138
  446    HB2  ASP  60           HB2      ASP  60   1.666  11.933  -1.569
  447    HB3  ASP  60           HB1      ASP  60   0.976  13.354  -0.803
  448    H    ASP  61           HN       ASP  61  -1.177  13.064   1.263
  449    HA   ASP  61           HA       ASP  61   0.244  13.443   3.747
  450    HB2  ASP  61           HB2      ASP  61  -2.428  14.483   2.832
  451    HB3  ASP  61           HB1      ASP  61  -1.683  14.877   4.373
  452    H    ASP  62           HN       ASP  62  -2.852  11.944   2.802
  453    HA   ASP  62           HA       ASP  62  -3.364  11.145   5.547
  454    HB2  ASP  62           HB2      ASP  62  -4.846  10.553   2.989
  455    HB3  ASP  62           HB1      ASP  62  -5.274   9.803   4.517
  456    H    VAL  63           HN       VAL  63  -1.762   9.855   2.900
  457    HA   VAL  63           HA       VAL  63  -2.044   7.151   3.613
  458    HB   VAL  63           HB       VAL  63  -1.247   8.169   1.374
  459   HG11  VAL  63          HG11      VAL  63   0.634   9.455   2.142
  460   HG12  VAL  63          HG12      VAL  63   1.178   8.206   1.022
  461   HG13  VAL  63          HG13      VAL  63   1.420   8.001   2.753
  462   HG21  VAL  63          HG21      VAL  63  -1.510   5.828   1.730
  463   HG22  VAL  63          HG22      VAL  63   0.066   5.734   2.524
  464   HG23  VAL  63          HG23      VAL  63  -0.041   6.138   0.806
  465    H    LYS  64           HN       LYS  64  -0.201   9.726   4.843
  466    HA   LYS  64           HA       LYS  64   2.115   8.472   5.742
  467    HB2  LYS  64           HB2      LYS  64   0.729  10.935   6.766
  468    HB3  LYS  64           HB1      LYS  64   2.335  10.432   7.269
  469    HG2  LYS  64           HG2      LYS  64   3.175  10.710   5.025
  470    HG3  LYS  64           HG1      LYS  64   1.554  11.045   4.423
  471    HD2  LYS  64           HD2      LYS  64   1.437  13.062   5.762
  472    HD3  LYS  64           HD1      LYS  64   3.025  12.721   6.454
  473    HE2  LYS  64           HE2      LYS  64   2.511  13.133   3.515
  474    HE3  LYS  64           HE1      LYS  64   3.026  14.411   4.612
  475    HZ1  LYS  64           HZ1      LYS  64   5.026  13.246   5.059
  476    HZ2  LYS  64           HZ2      LYS  64   4.877  13.370   3.373
  477    HZ3  LYS  64           HZ3      LYS  64   4.569  11.902   4.152
  478    H    ASN  65           HN       ASN  65  -0.844   7.757   6.735
  479    HA   ASN  65           HA       ASN  65  -0.146   7.239   9.547
  480    HB2  ASN  65           HB2      ASN  65  -1.934   8.899   9.135
  481    HB3  ASN  65           HB1      ASN  65  -2.810   7.713   8.194
  482   HD21  ASN  65          HD21      ASN  65  -4.545   7.910   9.424
  483   HD22  ASN  65          HD22      ASN  65  -4.722   7.297  11.031
  484    H    LEU  66           HN       LEU  66   0.017   5.692   6.720
  485    HA   LEU  66           HA       LEU  66  -1.489   3.293   7.569
  486    HB2  LEU  66           HB2      LEU  66  -0.859   4.060   4.743
  487    HB3  LEU  66           HB1      LEU  66  -1.879   2.780   5.375
  488    HG   LEU  66           HG       LEU  66  -2.478   5.733   5.464
  489   HD11  LEU  66          HD11      LEU  66  -2.612   4.802   3.243
  490   HD12  LEU  66          HD12      LEU  66  -4.244   5.116   3.861
  491   HD13  LEU  66          HD13      LEU  66  -3.591   3.472   3.855
  492   HD21  LEU  66          HD21      LEU  66  -3.444   4.541   7.399
  493   HD22  LEU  66          HD22      LEU  66  -4.171   3.374   6.276
  494   HD23  LEU  66          HD23      LEU  66  -4.689   5.042   6.247
  495    H    LYS  67           HN       LYS  67   1.207   3.767   8.247
  496    HA   LYS  67           HA       LYS  67   3.175   2.995   6.560
  497    HB2  LYS  67           HB2      LYS  67   4.420   2.118   8.686
  498    HB3  LYS  67           HB1      LYS  67   4.061   3.819   8.456
  499    HG2  LYS  67           HG2      LYS  67   3.600   3.201  10.724
  500    HG3  LYS  67           HG1      LYS  67   2.090   3.575   9.906
  501    HD2  LYS  67           HD2      LYS  67   1.798   1.096   9.574
  502    HD3  LYS  67           HD1      LYS  67   3.190   0.871  10.639
  503    HE2  LYS  67           HE2      LYS  67   0.626   2.281  11.300
  504    HE3  LYS  67           HE1      LYS  67   1.089   0.683  11.867
  505    HZ1  LYS  67           HZ1      LYS  67   1.535   2.300  13.603
  506    HZ2  LYS  67           HZ2      LYS  67   2.376   3.273  12.565
  507    HZ3  LYS  67           HZ3      LYS  67   3.032   1.781  13.019
  508    H    THR  68           HN       THR  68   0.919   0.592   7.637
  509    HA   THR  68           HA       THR  68   2.769  -1.404   6.535
  510    HB   THR  68           HB       THR  68   1.343  -3.166   7.519
  511    HG1  THR  68           HG1      THR  68   0.105  -1.187   9.155
  512   HG21  THR  68          HG21      THR  68   2.462  -1.228   9.519
  513   HG22  THR  68          HG22      THR  68   3.323  -2.512   8.644
  514   HG23  THR  68          HG23      THR  68   2.065  -2.932   9.811
  515    H    VAL  69           HN       VAL  69   1.744  -3.137   5.353
  516    HA   VAL  69           HA       VAL  69   0.008  -2.341   3.308
  517    HB   VAL  69           HB       VAL  69  -0.369  -4.933   3.173
  518   HG11  VAL  69          HG11      VAL  69   1.237  -3.664   1.743
  519   HG12  VAL  69          HG12      VAL  69   1.887  -5.238   2.210
  520   HG13  VAL  69          HG13      VAL  69   2.431  -3.775   3.034
  521   HG21  VAL  69          HG21      VAL  69   1.841  -4.742   5.150
  522   HG22  VAL  69          HG22      VAL  69   1.309  -6.204   4.313
  523   HG23  VAL  69          HG23      VAL  69   0.223  -5.375   5.429
  524    H    GLY  70           HN       GLY  70  -0.570  -4.079   6.344
  525    HA2  GLY  70           HA2      GLY  70  -3.308  -4.434   6.165
  526    HA3  GLY  70           HA1      GLY  70  -2.400  -4.272   7.662
  527    H    ASP  71           HN       ASP  71  -1.483  -1.656   7.464
  528    HA   ASP  71           HA       ASP  71  -3.791  -0.251   8.332
  529    HB2  ASP  71           HB2      ASP  71  -0.973   0.710   7.834
  530    HB3  ASP  71           HB1      ASP  71  -2.258   1.822   8.258
  531    H    ALA  72           HN       ALA  72  -1.928  -0.158   5.364
  532    HA   ALA  72           HA       ALA  72  -3.319   1.911   4.112
  533    HB1  ALA  72           HB1      ALA  72  -2.569   0.910   1.999
  534    HB2  ALA  72           HB2      ALA  72  -2.132  -0.570   2.853
  535    HB3  ALA  72           HB3      ALA  72  -1.264   0.931   3.187
  536    H    THR  73           HN       THR  73  -3.835  -1.589   3.700
  537    HA   THR  73           HA       THR  73  -6.238  -1.736   2.469
  538    HB   THR  73           HB       THR  73  -5.190  -3.375   4.771
  539    HG1  THR  73           HG1      THR  73  -3.720  -3.597   3.255
  540   HG21  THR  73          HG21      THR  73  -6.558  -5.193   3.832
  541   HG22  THR  73          HG22      THR  73  -7.195  -4.067   2.625
  542   HG23  THR  73          HG23      THR  73  -7.563  -3.827   4.329
  543    H    LYS  74           HN       LYS  74  -5.747  -1.405   5.940
  544    HA   LYS  74           HA       LYS  74  -8.275  -1.415   7.018
  545    HB2  LYS  74           HB2      LYS  74  -6.250  -1.565   8.230
  546    HB3  LYS  74           HB1      LYS  74  -5.704  -0.027   7.636
  547    HG2  LYS  74           HG2      LYS  74  -7.321   1.084   9.086
  548    HG3  LYS  74           HG1      LYS  74  -7.851  -0.510   9.683
  549    HD2  LYS  74           HD2      LYS  74  -5.667  -1.053  10.432
  550    HD3  LYS  74           HD1      LYS  74  -4.980   0.368   9.665
  551    HE2  LYS  74           HE2      LYS  74  -6.200   1.777  11.262
  552    HE3  LYS  74           HE1      LYS  74  -6.819   0.315  12.043
  553    HZ1  LYS  74           HZ1      LYS  74  -3.934   0.895  11.695
  554    HZ2  LYS  74           HZ2      LYS  74  -4.609  -0.352  12.596
  555    HZ3  LYS  74           HZ3      LYS  74  -4.779   1.252  13.116
  556    H    TYR  75           HN       TYR  75  -6.559   1.172   5.362
  557    HA   TYR  75           HA       TYR  75  -8.523   3.205   5.968
  558    HB2  TYR  75           HB2      TYR  75  -6.107   3.701   5.796
  559    HB3  TYR  75           HB1      TYR  75  -6.121   3.155   4.134
  560    HD1  TYR  75           HD1      TYR  75  -6.984   5.878   6.427
  561    HD2  TYR  75           HD2      TYR  75  -7.079   4.564   2.383
  562    HE1  TYR  75           HE1      TYR  75  -7.491   8.167   5.701
  563    HE2  TYR  75           HE2      TYR  75  -7.582   6.851   1.647
  564    HH   TYR  75           HH       TYR  75  -8.462   8.903   2.493
  565    H    ILE  76           HN       ILE  76  -7.293   1.365   3.238
  566    HA   ILE  76           HA       ILE  76  -8.892   2.402   1.227
  567    HB   ILE  76           HB       ILE  76  -7.610  -0.336   1.406
  568   HG12  ILE  76          HG12      ILE  76  -6.559   2.198   0.136
  569   HG13  ILE  76          HG11      ILE  76  -6.074   1.606   1.717
  570   HG21  ILE  76          HG21      ILE  76  -7.688  -0.295  -1.051
  571   HG22  ILE  76          HG22      ILE  76  -8.504   1.271  -0.995
  572   HG23  ILE  76          HG23      ILE  76  -9.309  -0.165  -0.362
  573   HD11  ILE  76          HD11      ILE  76  -5.649   0.196  -0.908
  574   HD12  ILE  76          HD12      ILE  76  -5.171  -0.411   0.675
  575   HD13  ILE  76          HD13      ILE  76  -4.424   1.051   0.031
  576    H    LEU  77           HN       LEU  77  -9.339  -0.574   3.138
  577    HA   LEU  77           HA       LEU  77 -11.724  -1.466   1.966
  578    HB2  LEU  77           HB2      LEU  77 -10.400  -2.793   3.575
  579    HB3  LEU  77           HB1      LEU  77 -10.824  -1.691   4.857
  580    HG   LEU  77           HG       LEU  77 -12.933  -3.363   3.457
  581   HD11  LEU  77          HD11      LEU  77 -11.196  -4.856   4.296
  582   HD12  LEU  77          HD12      LEU  77 -12.664  -4.983   5.266
  583   HD13  LEU  77          HD13      LEU  77 -11.280  -4.071   5.872
  584   HD21  LEU  77          HD21      LEU  77 -13.732  -1.520   4.891
  585   HD22  LEU  77          HD22      LEU  77 -12.784  -2.163   6.232
  586   HD23  LEU  77          HD23      LEU  77 -14.132  -3.096   5.582
  587    H    ASP  78           HN       ASP  78 -11.137   0.926   4.297
  588    HA   ASP  78           HA       ASP  78 -13.951   1.410   4.922
  589    HB2  ASP  78           HB2      ASP  78 -12.397   1.700   6.727
  590    HB3  ASP  78           HB1      ASP  78 -11.419   2.812   5.780
  591    H    HIS  79           HN       HIS  79 -11.451   2.925   3.071
  592    HA   HIS  79           HA       HIS  79 -13.132   5.173   2.364
  593    HB2  HIS  79           HB2      HIS  79 -10.247   4.635   2.229
  594    HB3  HIS  79           HB1      HIS  79 -10.844   5.850   1.131
  595    HD1  HIS  79           HD1      HIS  79 -11.736   8.080   2.270
  596    HD2  HIS  79           HD2      HIS  79 -10.303   5.232   4.935
  597    HE1  HIS  79           HE1      HIS  79 -11.399   9.285   4.430
  598    HE2  HIS  79           HE2      HIS  79 -10.439   7.577   6.005
  599    H    GLN  80           HN       GLN  80 -12.934   2.254   1.143
  600    HA   GLN  80           HA       GLN  80 -12.752   2.205  -1.578
  601    HB2  GLN  80           HB2      GLN  80 -14.923   1.195   0.174
  602    HB3  GLN  80           HB1      GLN  80 -14.860   0.752  -1.543
  603    HG2  GLN  80           HG2      GLN  80 -12.935   0.104   0.677
  604    HG3  GLN  80           HG1      GLN  80 -14.060  -0.999  -0.107
  605   HE21  GLN  80          HE21      GLN  80 -11.279  -1.184   0.228
  606   HE22  GLN  80          HE22      GLN  80 -10.556  -1.301  -1.338
  607    H    ALA  81           HN       ALA  81 -13.991   2.903  -3.367
  608    HA   ALA  81           HA       ALA  81 -15.610   5.197  -2.957
  609    HB1  ALA  81           HB1      ALA  81 -15.162   3.551  -5.449
  610    HB2  ALA  81           HB2      ALA  81 -14.207   4.949  -4.953
  611    HB3  ALA  81           HB3      ALA  81 -15.906   5.149  -5.391
  612    H2   SHW 101           H2A      SHW 101   3.191   6.985   3.519
  613    H2A  SHW 101           H2B      SHW 101   3.486   5.648   2.420
  614    H3   SHW 101           H3A      SHW 101   1.419   5.308   3.813
  615    HO3  SHW 101           HO3      SHW 101   3.313   5.076   5.906
  616    H4   SHW 101           H4A      SHW 101   1.969   2.974   4.485
  617    H4A  SHW 101           H4B      SHW 101   3.665   3.320   4.198
  618    H5   SHW 101           H5A      SHW 101   2.873   2.151   2.309
  619    H5A  SHW 101           H5B      SHW 101   3.076   3.830   1.819
  620    H6   SHW 101           H6A      SHW 101   0.686   4.216   2.102
  621    H6A  SHW 101           H6B      SHW 101   0.470   2.534   2.598
  622    H7   SHW 101           H7A      SHW 101   1.273   1.784   0.401
  623    H7A  SHW 101           H7B      SHW 101   1.474   3.477  -0.093
  624    H8   SHW 101           H8C      SHW 101  -0.635   2.537  -0.916
  625    H8A  SHW 101           H8A      SHW 101  -0.921   3.840   0.238
  626    H8B  SHW 101           H8B      SHW 101  -1.109   2.161   0.741
  627    H28  SHW 101          H28A      SHW 101  11.436  11.127  -1.000
  628   H28A  SHW 101          H28B      SHW 101  10.730   9.671  -0.304
  629    H30  SHW 101          H30A      SHW 101  10.711  13.322  -0.282
  630   H30A  SHW 101          H30B      SHW 101  11.090  12.900   1.390
  631   H30B  SHW 101          H30C      SHW 101   9.489  13.513   0.975
  632    H31  SHW 101          H31A      SHW 101   7.920  12.072  -0.374
  633   H31A  SHW 101          H31B      SHW 101   8.465  10.486  -0.913
  634   H31B  SHW 101          H31C      SHW 101   9.177  11.946  -1.606
  635    H32  SHW 101          H32A      SHW 101   9.929  11.031   2.534
  636   HO33  SHW 101          H33A      SHW 101   7.303  10.980   1.874
  637   HN36  SHW 101          H36A      SHW 101  10.722   8.928   1.886
  638    H37  SHW 101          H37A      SHW 101   8.590   6.872   1.765
  639   H37A  SHW 101          H37B      SHW 101  10.003   6.763   0.730
  640    H38  SHW 101          H38A      SHW 101  10.263   5.297   2.586
  641   H38A  SHW 101          H38B      SHW 101  11.451   6.609   2.755
  642   HN41  SHW 101          H41A      SHW 101   8.318   7.571   3.397
  643    H42  SHW 101          H42A      SHW 101   8.580   7.325   6.298
  644   H42A  SHW 101          H42B      SHW 101   7.792   8.662   5.447
  645    H43  SHW 101          H43A      SHW 101   6.122   7.100   6.321
  646   H43A  SHW 101          H43B      SHW 101   6.878   5.792   5.379
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1 -17.790  -3.094   1.854
    2    H2   ALA   1           HT2      ALA   1 -17.095  -2.067   0.722
    3    H3   ALA   1           HT3      ALA   1 -17.281  -1.529   2.324
    4    HA   ALA   1           HA       ALA   1 -15.017  -2.089   1.923
    5    HB1  ALA   1           HB1      ALA   1 -14.680  -3.814   3.624
    6    HB2  ALA   1           HB2      ALA   1 -16.387  -4.249   3.529
    7    HB3  ALA   1           HB3      ALA   1 -15.916  -2.660   4.132
    8    H    ALA   2           HN       ALA   2 -13.498  -4.087   1.623
    9    HA   ALA   2           HA       ALA   2 -14.546  -5.824  -0.450
   10    HB1  ALA   2           HB1      ALA   2 -13.272  -4.032  -1.581
   11    HB2  ALA   2           HB2      ALA   2 -12.373  -5.541  -1.646
   12    HB3  ALA   2           HB3      ALA   2 -11.911  -4.295  -0.495
   13    H    THR   3           HN       THR   3 -12.744  -7.618  -0.675
   14    HA   THR   3           HA       THR   3 -12.389  -8.672   1.945
   15    HB   THR   3           HB       THR   3 -10.989  -9.673  -0.515
   16    HG1  THR   3           HG1      THR   3 -12.848 -10.074  -1.473
   17   HG21  THR   3          HG21      THR   3 -11.641 -11.820   0.466
   18   HG22  THR   3          HG22      THR   3 -12.513 -10.934   1.732
   19   HG23  THR   3          HG23      THR   3 -10.760 -10.812   1.626
   20    H    GLN   4           HN       GLN   4 -10.580  -8.344   3.222
   21    HA   GLN   4           HA       GLN   4  -8.780  -6.279   2.685
   22    HB2  GLN   4           HB2      GLN   4  -8.421  -8.558   4.620
   23    HB3  GLN   4           HB1      GLN   4  -7.386  -7.142   4.554
   24    HG2  GLN   4           HG2      GLN   4  -9.405  -5.756   5.026
   25    HG3  GLN   4           HG1      GLN   4 -10.292  -7.260   5.285
   26   HE21  GLN   4          HE21      GLN   4  -7.942  -8.600   6.488
   27   HE22  GLN   4          HE22      GLN   4  -7.769  -7.904   8.054
   28    H    GLU   5           HN       GLU   5  -8.451  -9.653   2.150
   29    HA   GLU   5           HA       GLU   5  -5.669  -9.704   1.544
   30    HB2  GLU   5           HB2      GLU   5  -7.688 -11.661   0.449
   31    HB3  GLU   5           HB1      GLU   5  -5.971 -11.917   0.694
   32    HG2  GLU   5           HG2      GLU   5  -6.936 -13.103   2.416
   33    HG3  GLU   5           HG1      GLU   5  -6.531 -11.572   3.197
   34    H    GLU   6           HN       GLU   6  -8.500  -8.984  -0.266
   35    HA   GLU   6           HA       GLU   6  -7.383  -9.280  -2.868
   36    HB2  GLU   6           HB2      GLU   6  -9.815  -9.315  -2.262
   37    HB3  GLU   6           HB1      GLU   6  -9.729  -7.574  -1.990
   38    HG2  GLU   6           HG2      GLU   6 -10.658  -7.964  -4.118
   39    HG3  GLU   6           HG1      GLU   6  -9.005  -7.384  -4.367
   40    H    ILE   7           HN       ILE   7  -7.701  -6.822  -0.462
   41    HA   ILE   7           HA       ILE   7  -6.861  -4.592  -2.007
   42    HB   ILE   7           HB       ILE   7  -6.692  -4.981   0.968
   43   HG12  ILE   7          HG12      ILE   7  -9.156  -4.300  -0.687
   44   HG13  ILE   7          HG11      ILE   7  -8.880  -5.677   0.320
   45   HG21  ILE   7          HG21      ILE   7  -7.099  -2.530   0.996
   46   HG22  ILE   7          HG22      ILE   7  -7.144  -2.538  -0.766
   47   HG23  ILE   7          HG23      ILE   7  -5.651  -2.947   0.078
   48   HD11  ILE   7          HD11      ILE   7  -9.088  -2.876   1.372
   49   HD12  ILE   7          HD12      ILE   7  -8.894  -4.351   2.322
   50   HD13  ILE   7          HD13      ILE   7 -10.370  -4.090   1.393
   51    H    VAL   8           HN       VAL   8  -5.381  -6.580   0.539
   52    HA   VAL   8           HA       VAL   8  -2.792  -5.683   0.431
   53    HB   VAL   8           HB       VAL   8  -3.911  -8.429   1.083
   54   HG11  VAL   8          HG11      VAL   8  -1.761  -8.937   2.151
   55   HG12  VAL   8          HG12      VAL   8  -1.097  -7.418   1.536
   56   HG13  VAL   8          HG13      VAL   8  -1.580  -8.694   0.413
   57   HG21  VAL   8          HG21      VAL   8  -4.580  -6.586   2.559
   58   HG22  VAL   8          HG22      VAL   8  -2.907  -6.155   2.798
   59   HG23  VAL   8          HG23      VAL   8  -3.510  -7.702   3.410
   60    H    ALA   9           HN       ALA   9  -4.300  -8.194  -1.557
   61    HA   ALA   9           HA       ALA   9  -2.014  -8.918  -3.051
   62    HB1  ALA   9           HB1      ALA   9  -3.557  -9.880  -4.660
   63    HB2  ALA   9           HB2      ALA   9  -4.895  -9.002  -3.915
   64    HB3  ALA   9           HB3      ALA   9  -4.056 -10.265  -3.012
   65    H    GLY  10           HN       GLY  10  -4.472  -6.447  -3.552
   66    HA2  GLY  10           HA2      GLY  10  -3.635  -5.592  -6.106
   67    HA3  GLY  10           HA1      GLY  10  -4.552  -4.637  -4.939
   68    H    LEU  11           HN       LEU  11  -2.843  -4.596  -2.851
   69    HA   LEU  11           HA       LEU  11  -1.006  -2.572  -3.547
   70    HB2  LEU  11           HB2      LEU  11  -1.251  -4.279  -1.081
   71    HB3  LEU  11           HB1      LEU  11  -0.112  -2.963  -1.238
   72    HG   LEU  11           HG       LEU  11  -3.116  -2.676  -1.361
   73   HD11  LEU  11          HD11      LEU  11  -1.158  -2.002   0.830
   74   HD12  LEU  11          HD12      LEU  11  -2.335  -3.315   0.860
   75   HD13  LEU  11          HD13      LEU  11  -2.883  -1.639   0.836
   76   HD21  LEU  11          HD21      LEU  11  -2.653  -0.284  -1.209
   77   HD22  LEU  11          HD22      LEU  11  -1.925  -0.979  -2.658
   78   HD23  LEU  11          HD23      LEU  11  -0.919  -0.608  -1.257
   79    H    ALA  12           HN       ALA  12  -0.653  -5.991  -2.822
   80    HA   ALA  12           HA       ALA  12   2.083  -6.249  -2.840
   81    HB1  ALA  12           HB1      ALA  12   0.072  -8.271  -3.819
   82    HB2  ALA  12           HB2      ALA  12   0.522  -8.004  -2.137
   83    HB3  ALA  12           HB3      ALA  12   1.714  -8.615  -3.272
   84    H    GLU  13           HN       GLU  13  -0.141  -6.397  -5.585
   85    HA   GLU  13           HA       GLU  13   2.006  -6.904  -7.375
   86    HB2  GLU  13           HB2      GLU  13   0.442  -6.346  -9.241
   87    HB3  GLU  13           HB1      GLU  13  -0.086  -7.632  -8.174
   88    HG2  GLU  13           HG2      GLU  13  -1.668  -6.208  -7.130
   89    HG3  GLU  13           HG1      GLU  13  -1.008  -4.795  -7.950
   90    H    ILE  14           HN       ILE  14   0.566  -3.981  -6.336
   91    HA   ILE  14           HA       ILE  14   1.849  -2.161  -8.075
   92    HB   ILE  14           HB       ILE  14   0.992  -1.941  -5.182
   93   HG12  ILE  14          HG12      ILE  14  -0.344  -0.868  -7.647
   94   HG13  ILE  14          HG11      ILE  14  -0.707  -2.442  -6.945
   95   HG21  ILE  14          HG21      ILE  14   1.063   0.492  -5.471
   96   HG22  ILE  14          HG22      ILE  14   1.760   0.276  -7.079
   97   HG23  ILE  14          HG23      ILE  14   2.663  -0.235  -5.651
   98   HD11  ILE  14          HD11      ILE  14  -1.355  -1.409  -4.909
   99   HD12  ILE  14          HD12      ILE  14  -2.299  -0.776  -6.268
  100   HD13  ILE  14          HD13      ILE  14  -0.994   0.201  -5.553
  101    H    VAL  15           HN       VAL  15   2.668  -3.360  -4.874
  102    HA   VAL  15           HA       VAL  15   5.161  -2.143  -4.623
  103    HB   VAL  15           HB       VAL  15   4.109  -4.670  -3.327
  104   HG11  VAL  15          HG11      VAL  15   6.424  -2.920  -2.490
  105   HG12  VAL  15          HG12      VAL  15   6.547  -4.557  -3.134
  106   HG13  VAL  15          HG13      VAL  15   5.776  -4.281  -1.572
  107   HG21  VAL  15          HG21      VAL  15   2.742  -2.737  -2.905
  108   HG22  VAL  15          HG22      VAL  15   4.158  -1.823  -2.389
  109   HG23  VAL  15          HG23      VAL  15   3.608  -3.208  -1.444
  110    H    ASN  16           HN       ASN  16   4.286  -5.358  -5.843
  111    HA   ASN  16           HA       ASN  16   6.884  -6.328  -6.241
  112    HB2  ASN  16           HB2      ASN  16   4.656  -7.573  -6.503
  113    HB3  ASN  16           HB1      ASN  16   4.613  -6.909  -8.132
  114   HD21  ASN  16          HD21      ASN  16   7.252  -8.208  -6.159
  115   HD22  ASN  16          HD22      ASN  16   7.804  -9.367  -7.295
  116    H    GLU  17           HN       GLU  17   4.918  -4.198  -8.148
  117    HA   GLU  17           HA       GLU  17   6.609  -4.176 -10.463
  118    HB2  GLU  17           HB2      GLU  17   4.232  -3.847 -10.708
  119    HB3  GLU  17           HB1      GLU  17   4.254  -2.503  -9.584
  120    HG2  GLU  17           HG2      GLU  17   4.006  -1.786 -11.897
  121    HG3  GLU  17           HG1      GLU  17   5.478  -1.156 -11.165
  122    H    ILE  18           HN       ILE  18   5.684  -1.645  -8.167
  123    HA   ILE  18           HA       ILE  18   7.644   0.205  -9.123
  124    HB   ILE  18           HB       ILE  18   5.846   0.325  -6.677
  125   HG12  ILE  18          HG12      ILE  18   5.549   1.651  -9.334
  126   HG13  ILE  18          HG11      ILE  18   4.763   0.101  -8.986
  127   HG21  ILE  18          HG21      ILE  18   6.256   2.738  -6.767
  128   HG22  ILE  18          HG22      ILE  18   7.385   2.499  -8.102
  129   HG23  ILE  18          HG23      ILE  18   7.756   1.849  -6.507
  130   HD11  ILE  18          HD11      ILE  18   3.227   1.950  -8.763
  131   HD12  ILE  18          HD12      ILE  18   4.322   2.762  -7.644
  132   HD13  ILE  18          HD13      ILE  18   3.542   1.251  -7.178
  133    H    ALA  19           HN       ALA  19   7.216  -1.540  -6.086
  134    HA   ALA  19           HA       ALA  19   9.651  -0.505  -4.958
  135    HB1  ALA  19           HB1      ALA  19   7.798  -2.665  -3.972
  136    HB2  ALA  19           HB2      ALA  19   7.696  -0.948  -3.578
  137    HB3  ALA  19           HB3      ALA  19   9.088  -1.890  -3.050
  138    H    GLY  20           HN       GLY  20   8.550  -3.503  -6.396
  139    HA2  GLY  20           HA2      GLY  20   9.801  -5.195  -7.392
  140    HA3  GLY  20           HA1      GLY  20  11.285  -4.443  -6.824
  141    H    ILE  21           HN       ILE  21   8.512  -5.158  -4.862
  142    HA   ILE  21           HA       ILE  21  10.130  -7.096  -3.366
  143    HB   ILE  21           HB       ILE  21   7.832  -5.371  -2.365
  144   HG12  ILE  21          HG12      ILE  21   9.846  -4.014  -2.759
  145   HG13  ILE  21          HG11      ILE  21   9.498  -4.147  -1.041
  146   HG21  ILE  21          HG21      ILE  21   7.917  -7.480  -1.180
  147   HG22  ILE  21          HG22      ILE  21   8.434  -6.163  -0.124
  148   HG23  ILE  21          HG23      ILE  21   9.631  -7.238  -0.838
  149   HD11  ILE  21          HD11      ILE  21  11.881  -4.313  -1.479
  150   HD12  ILE  21          HD12      ILE  21  11.601  -5.688  -2.550
  151   HD13  ILE  21          HD13      ILE  21  11.264  -5.831  -0.826
  152    HA   PRO  22           HA       PRO  22   7.533 -10.551  -4.661
  153    HB2  PRO  22           HB2      PRO  22   7.490 -11.295  -1.887
  154    HB3  PRO  22           HB1      PRO  22   8.358 -12.049  -3.226
  155    HG2  PRO  22           HG2      PRO  22   9.305 -10.088  -1.239
  156    HG3  PRO  22           HG1      PRO  22  10.234 -11.236  -2.222
  157    HD2  PRO  22           HD2      PRO  22  10.351  -8.631  -2.750
  158    HD3  PRO  22           HD1      PRO  22  10.240  -9.840  -4.061
  159    H    VAL  23           HN       VAL  23   5.544 -10.587  -5.056
  160    HA   VAL  23           HA       VAL  23   3.450  -9.116  -3.910
  161    HB   VAL  23           HB       VAL  23   3.355 -11.791  -5.374
  162   HG11  VAL  23          HG11      VAL  23   1.120  -9.818  -4.921
  163   HG12  VAL  23          HG12      VAL  23   1.263 -11.419  -4.194
  164   HG13  VAL  23          HG13      VAL  23   1.034 -11.259  -5.937
  165   HG21  VAL  23          HG21      VAL  23   2.804 -10.468  -7.357
  166   HG22  VAL  23          HG22      VAL  23   4.394 -10.063  -6.706
  167   HG23  VAL  23          HG23      VAL  23   3.023  -8.991  -6.421
  168    H    GLU  24           HN       GLU  24   4.895 -12.136  -3.163
  169    HA   GLU  24           HA       GLU  24   2.791 -12.674  -1.390
  170    HB2  GLU  24           HB2      GLU  24   3.923 -14.883  -0.810
  171    HB3  GLU  24           HB1      GLU  24   3.362 -14.662  -2.454
  172    HG2  GLU  24           HG2      GLU  24   6.218 -14.229  -1.634
  173    HG3  GLU  24           HG1      GLU  24   5.594 -15.796  -2.141
  174    H    ASP  25           HN       ASP  25   5.898 -11.319  -1.082
  175    HA   ASP  25           HA       ASP  25   6.044 -11.868   1.767
  176    HB2  ASP  25           HB2      ASP  25   8.144 -11.593   0.403
  177    HB3  ASP  25           HB1      ASP  25   7.716  -9.894   0.198
  178    H    VAL  26           HN       VAL  26   4.638  -9.699  -0.277
  179    HA   VAL  26           HA       VAL  26   4.153  -7.623   1.644
  180    HB   VAL  26           HB       VAL  26   2.994  -8.176  -1.123
  181   HG11  VAL  26          HG11      VAL  26   1.863  -6.030  -0.976
  182   HG12  VAL  26          HG12      VAL  26   2.386  -5.840   0.708
  183   HG13  VAL  26          HG13      VAL  26   1.258  -7.133   0.259
  184   HG21  VAL  26          HG21      VAL  26   4.724  -5.974  -0.032
  185   HG22  VAL  26          HG22      VAL  26   4.182  -6.124  -1.697
  186   HG23  VAL  26          HG23      VAL  26   5.287  -7.327  -1.013
  187    H    LYS  27           HN       LYS  27   3.616  -8.958   3.205
  188    HA   LYS  27           HA       LYS  27   1.109 -10.470   3.359
  189    HB2  LYS  27           HB2      LYS  27   3.193  -9.716   5.421
  190    HB3  LYS  27           HB1      LYS  27   1.930 -10.923   5.607
  191    HG2  LYS  27           HG2      LYS  27   2.970 -12.365   4.007
  192    HG3  LYS  27           HG1      LYS  27   4.156 -11.121   3.588
  193    HD2  LYS  27           HD2      LYS  27   5.086 -11.203   5.804
  194    HD3  LYS  27           HD1      LYS  27   3.829 -12.318   6.328
  195    HE2  LYS  27           HE2      LYS  27   5.879 -13.548   5.948
  196    HE3  LYS  27           HE1      LYS  27   4.672 -13.971   4.736
  197    HZ1  LYS  27           HZ1      LYS  27   6.690 -11.924   3.964
  198    HZ2  LYS  27           HZ2      LYS  27   5.956 -13.212   3.078
  199    HZ3  LYS  27           HZ3      LYS  27   7.117 -13.509   4.208
  200    H    LEU  28           HN       LEU  28   0.967  -9.437   6.255
  201    HA   LEU  28           HA       LEU  28  -0.388  -6.959   5.490
  202    HB2  LEU  28           HB2      LEU  28  -1.793  -9.016   5.970
  203    HB3  LEU  28           HB1      LEU  28  -1.238  -8.861   7.625
  204    HG   LEU  28           HG       LEU  28  -2.533  -6.562   6.336
  205   HD11  LEU  28          HD11      LEU  28  -4.743  -7.455   7.022
  206   HD12  LEU  28          HD12      LEU  28  -3.939  -8.980   7.459
  207   HD13  LEU  28          HD13      LEU  28  -3.949  -8.427   5.776
  208   HD21  LEU  28          HD21      LEU  28  -3.422  -6.198   8.619
  209   HD22  LEU  28          HD22      LEU  28  -1.661  -6.312   8.607
  210   HD23  LEU  28          HD23      LEU  28  -2.630  -7.683   9.147
  211    H    ASP  29           HN       ASP  29   1.851  -8.450   7.524
  212    HA   ASP  29           HA       ASP  29   1.851  -6.451   9.659
  213    HB2  ASP  29           HB2      ASP  29   2.115  -8.796  10.252
  214    HB3  ASP  29           HB1      ASP  29   3.440  -8.979   9.119
  215    H    LYS  30           HN       LYS  30   2.888  -6.568   6.689
  216    HA   LYS  30           HA       LYS  30   5.680  -5.854   7.040
  217    HB2  LYS  30           HB2      LYS  30   4.018  -6.298   4.610
  218    HB3  LYS  30           HB1      LYS  30   5.676  -5.727   4.540
  219    HG2  LYS  30           HG2      LYS  30   4.831  -8.276   5.878
  220    HG3  LYS  30           HG1      LYS  30   5.453  -8.165   4.227
  221    HD2  LYS  30           HD2      LYS  30   7.517  -7.087   5.158
  222    HD3  LYS  30           HD1      LYS  30   6.866  -7.378   6.757
  223    HE2  LYS  30           HE2      LYS  30   6.909  -9.738   6.468
  224    HE3  LYS  30           HE1      LYS  30   7.329  -9.572   4.763
  225    HZ1  LYS  30           HZ1      LYS  30   9.182 -10.124   6.343
  226    HZ2  LYS  30           HZ2      LYS  30   9.085  -8.476   6.868
  227    HZ3  LYS  30           HZ3      LYS  30   9.442  -8.837   5.282
  228    H    SER  31           HN       SER  31   6.071  -3.808   7.721
  229    HA   SER  31           HA       SER  31   4.753  -1.560   6.727
  230    HB2  SER  31           HB2      SER  31   7.546  -1.743   7.816
  231    HB3  SER  31           HB1      SER  31   6.339  -0.464   8.003
  232    HG   SER  31           HG       SER  31   5.634  -1.436   9.697
  233    H    PHE  32           HN       PHE  32   4.897  -1.237   4.530
  234    HA   PHE  32           HA       PHE  32   6.522  -2.003   2.574
  235    HB2  PHE  32           HB2      PHE  32   5.712   0.896   2.820
  236    HB3  PHE  32           HB1      PHE  32   6.264   0.038   1.399
  237    HD1  PHE  32           HD1      PHE  32   4.931  -1.356   0.169
  238    HD2  PHE  32           HD2      PHE  32   3.456   0.369   3.723
  239    HE1  PHE  32           HE1      PHE  32   2.608  -1.988  -0.490
  240    HE2  PHE  32           HE2      PHE  32   1.143  -0.242   3.089
  241    HZ   PHE  32           HZ       PHE  32   0.729  -1.409   0.978
  242    H    THR  33           HN       THR  33   7.381   1.338   3.574
  243    HA   THR  33           HA       THR  33  10.081   0.853   2.862
  244    HB   THR  33           HB       THR  33   9.988   3.332   3.952
  245    HG1  THR  33           HG1      THR  33   7.832   3.434   4.387
  246   HG21  THR  33          HG21      THR  33  10.800   2.694   1.749
  247   HG22  THR  33          HG22      THR  33   9.664   4.043   1.613
  248   HG23  THR  33          HG23      THR  33   9.157   2.405   1.205
  249    H    ASP  34           HN       ASP  34   9.471  -0.752   5.135
  250    HA   ASP  34           HA       ASP  34  11.569   0.217   6.843
  251    HB2  ASP  34           HB2      ASP  34   9.720   1.404   7.813
  252    HB3  ASP  34           HB1      ASP  34   8.787  -0.077   7.958
  253    H    ASP  35           HN       ASP  35   9.032  -2.258   6.526
  254    HA   ASP  35           HA       ASP  35  10.875  -4.212   7.717
  255    HB2  ASP  35           HB2      ASP  35   8.272  -4.082   8.237
  256    HB3  ASP  35           HB1      ASP  35   8.126  -4.881   6.675
  257    H    LEU  36           HN       LEU  36   8.884  -3.716   4.819
  258    HA   LEU  36           HA       LEU  36  10.064  -5.820   3.282
  259    HB2  LEU  36           HB2      LEU  36   8.556  -3.350   2.403
  260    HB3  LEU  36           HB1      LEU  36   9.022  -4.646   1.325
  261    HG   LEU  36           HG       LEU  36   7.128  -4.964   3.659
  262   HD11  LEU  36          HD11      LEU  36   5.381  -5.068   1.953
  263   HD12  LEU  36          HD12      LEU  36   6.570  -4.700   0.705
  264   HD13  LEU  36          HD13      LEU  36   6.188  -3.501   1.943
  265   HD21  LEU  36          HD21      LEU  36   8.305  -7.017   3.035
  266   HD22  LEU  36          HD22      LEU  36   7.809  -6.802   1.358
  267   HD23  LEU  36          HD23      LEU  36   6.601  -7.099   2.602
  268    H    ASP  37           HN       ASP  37  10.380  -2.326   3.243
  269    HA   ASP  37           HA       ASP  37  12.062  -0.924   2.955
  270    HB2  ASP  37           HB2      ASP  37  13.463  -2.247   4.414
  271    HB3  ASP  37           HB1      ASP  37  13.844  -3.352   3.097
  272    H    VAL  38           HN       VAL  38  11.103  -0.452   1.007
  273    HA   VAL  38           HA       VAL  38  12.591  -1.398  -1.272
  274    HB   VAL  38           HB       VAL  38  10.303  -1.359  -1.802
  275   HG11  VAL  38          HG11      VAL  38   9.483  -0.105   0.111
  276   HG12  VAL  38          HG12      VAL  38   8.723   0.436  -1.379
  277   HG13  VAL  38          HG13      VAL  38   9.966   1.421  -0.628
  278   HG21  VAL  38          HG21      VAL  38  11.598  -0.354  -3.588
  279   HG22  VAL  38          HG22      VAL  38  11.414   1.244  -2.868
  280   HG23  VAL  38          HG23      VAL  38  10.006   0.401  -3.514
  281    H    ASP  39           HN       ASP  39  11.470   1.940  -0.848
  282    HA   ASP  39           HA       ASP  39  13.872   3.087  -0.126
  283    HB2  ASP  39           HB2      ASP  39  14.255   2.454  -2.700
  284    HB3  ASP  39           HB1      ASP  39  13.025   3.729  -2.883
  285    H    SER  40           HN       SER  40  13.477   5.444  -0.812
  286    HA   SER  40           HA       SER  40  11.000   6.048   0.551
  287    HB2  SER  40           HB2      SER  40  13.137   6.867   1.385
  288    HB3  SER  40           HB1      SER  40  13.432   7.697  -0.138
  289    H    LEU  41           HN       LEU  41  12.427   6.299  -2.574
  290    HA   LEU  41           HA       LEU  41  10.743   8.496  -3.433
  291    HB2  LEU  41           HB2      LEU  41  12.577   6.760  -5.071
  292    HB3  LEU  41           HB1      LEU  41  11.761   8.199  -5.644
  293    HG   LEU  41           HG       LEU  41  13.948   8.041  -3.583
  294   HD11  LEU  41          HD11      LEU  41  15.165   9.430  -5.175
  295   HD12  LEU  41          HD12      LEU  41  13.803   9.337  -6.292
  296   HD13  LEU  41          HD13      LEU  41  14.703   7.879  -5.874
  297   HD21  LEU  41          HD21      LEU  41  12.313   9.694  -2.888
  298   HD22  LEU  41          HD22      LEU  41  12.361  10.432  -4.487
  299   HD23  LEU  41          HD23      LEU  41  13.789  10.476  -3.451
  300    H    SER  42           HN       SER  42  10.913   5.016  -4.018
  301    HA   SER  42           HA       SER  42   9.012   4.831  -6.043
  302    HB2  SER  42           HB2      SER  42   9.467   2.648  -4.103
  303    HB3  SER  42           HB1      SER  42   9.570   2.636  -5.869
  304    HG   SER  42           HG       SER  42  11.650   2.981  -5.701
  305    H    MET  43           HN       MET  43   8.833   5.227  -2.670
  306    HA   MET  43           HA       MET  43   6.532   3.910  -1.896
  307    HB2  MET  43           HB2      MET  43   8.146   4.784  -0.360
  308    HB3  MET  43           HB1      MET  43   7.762   6.430  -0.836
  309    HG2  MET  43           HG2      MET  43   6.828   5.601   1.305
  310    HG3  MET  43           HG1      MET  43   5.675   6.357   0.183
  311    HE1  MET  43           HE1      MET  43   7.047   2.845   1.517
  312    HE2  MET  43           HE2      MET  43   7.274   2.912  -0.222
  313    HE3  MET  43           HE3      MET  43   6.095   1.785   0.463
  314    H    VAL  44           HN       VAL  44   6.866   7.183  -3.288
  315    HA   VAL  44           HA       VAL  44   4.176   7.899  -2.739
  316    HB   VAL  44           HB       VAL  44   6.060   9.141  -4.772
  317   HG11  VAL  44          HG11      VAL  44   3.546  10.243  -3.506
  318   HG12  VAL  44          HG12      VAL  44   3.720   9.741  -5.187
  319   HG13  VAL  44          HG13      VAL  44   4.630  11.126  -4.582
  320   HG21  VAL  44          HG21      VAL  44   5.476   9.888  -1.921
  321   HG22  VAL  44          HG22      VAL  44   6.495  10.797  -3.037
  322   HG23  VAL  44          HG23      VAL  44   6.968   9.174  -2.527
  323    H    GLU  45           HN       GLU  45   5.735   6.190  -5.328
  324    HA   GLU  45           HA       GLU  45   3.600   6.493  -7.156
  325    HB2  GLU  45           HB2      GLU  45   5.881   4.532  -7.016
  326    HB3  GLU  45           HB1      GLU  45   4.777   4.690  -8.376
  327    HG2  GLU  45           HG2      GLU  45   6.593   6.848  -7.343
  328    HG3  GLU  45           HG1      GLU  45   6.885   5.848  -8.769
  329    H    VAL  46           HN       VAL  46   4.532   4.253  -4.655
  330    HA   VAL  46           HA       VAL  46   2.617   2.231  -5.149
  331    HB   VAL  46           HB       VAL  46   3.773   3.119  -2.469
  332   HG11  VAL  46          HG11      VAL  46   2.476   0.507  -3.251
  333   HG12  VAL  46          HG12      VAL  46   1.786   1.729  -2.184
  334   HG13  VAL  46          HG13      VAL  46   3.235   0.850  -1.697
  335   HG21  VAL  46          HG21      VAL  46   5.388   1.296  -2.771
  336   HG22  VAL  46          HG22      VAL  46   5.531   2.510  -4.040
  337   HG23  VAL  46          HG23      VAL  46   4.722   0.978  -4.373
  338    H    VAL  47           HN       VAL  47   2.558   5.108  -3.118
  339    HA   VAL  47           HA       VAL  47  -0.041   5.035  -2.103
  340    HB   VAL  47           HB       VAL  47   1.580   7.438  -3.014
  341   HG11  VAL  47          HG11      VAL  47  -0.741   7.322  -1.094
  342   HG12  VAL  47          HG12      VAL  47  -0.754   8.047  -2.700
  343   HG13  VAL  47          HG13      VAL  47   0.247   8.743  -1.427
  344   HG21  VAL  47          HG21      VAL  47   2.779   6.084  -1.404
  345   HG22  VAL  47          HG22      VAL  47   1.392   6.117  -0.317
  346   HG23  VAL  47          HG23      VAL  47   2.270   7.606  -0.671
  347    H    VAL  48           HN       VAL  48   1.022   7.016  -4.846
  348    HA   VAL  48           HA       VAL  48  -1.410   7.668  -5.942
  349    HB   VAL  48           HB       VAL  48   1.219   7.254  -7.403
  350   HG11  VAL  48          HG11      VAL  48  -0.633   7.276  -9.008
  351   HG12  VAL  48          HG12      VAL  48   0.328   8.750  -9.129
  352   HG13  VAL  48          HG13      VAL  48  -1.230   8.779  -8.303
  353   HG21  VAL  48          HG21      VAL  48   1.332   8.872  -5.594
  354   HG22  VAL  48          HG22      VAL  48  -0.075   9.717  -6.240
  355   HG23  VAL  48          HG23      VAL  48   1.431   9.685  -7.156
  356    H    ALA  49           HN       ALA  49   0.449   4.722  -6.721
  357    HA   ALA  49           HA       ALA  49  -1.373   3.831  -8.691
  358    HB1  ALA  49           HB1      ALA  49   0.934   2.997  -8.562
  359    HB2  ALA  49           HB2      ALA  49  -0.246   1.685  -8.555
  360    HB3  ALA  49           HB3      ALA  49   0.539   2.172  -7.054
  361    H    ALA  50           HN       ALA  50  -1.159   3.263  -5.204
  362    HA   ALA  50           HA       ALA  50  -3.156   1.288  -5.018
  363    HB1  ALA  50           HB1      ALA  50  -1.629   1.814  -3.168
  364    HB2  ALA  50           HB2      ALA  50  -3.314   1.907  -2.656
  365    HB3  ALA  50           HB3      ALA  50  -2.409   3.384  -2.976
  366    H    GLU  51           HN       GLU  51  -3.274   4.791  -5.091
  367    HA   GLU  51           HA       GLU  51  -5.910   5.313  -4.487
  368    HB2  GLU  51           HB2      GLU  51  -4.184   6.575  -6.597
  369    HB3  GLU  51           HB1      GLU  51  -5.640   7.293  -5.967
  370    HG2  GLU  51           HG2      GLU  51  -4.498   7.346  -3.716
  371    HG3  GLU  51           HG1      GLU  51  -3.049   6.788  -4.524
  372    H    GLU  52           HN       GLU  52  -4.505   4.711  -7.669
  373    HA   GLU  52           HA       GLU  52  -6.989   4.646  -9.067
  374    HB2  GLU  52           HB2      GLU  52  -4.981   5.266 -10.213
  375    HB3  GLU  52           HB1      GLU  52  -4.206   3.752  -9.796
  376    HG2  GLU  52           HG2      GLU  52  -4.791   3.665 -12.093
  377    HG3  GLU  52           HG1      GLU  52  -5.867   2.579 -11.220
  378    H    ARG  53           HN       ARG  53  -5.020   2.199  -7.523
  379    HA   ARG  53           HA       ARG  53  -5.789  -0.016  -9.092
  380    HB2  ARG  53           HB2      ARG  53  -3.763   0.286  -7.579
  381    HB3  ARG  53           HB1      ARG  53  -4.836  -0.105  -6.249
  382    HG2  ARG  53           HG2      ARG  53  -3.571  -2.040  -6.933
  383    HG3  ARG  53           HG1      ARG  53  -5.288  -2.284  -7.274
  384    HD2  ARG  53           HD2      ARG  53  -3.730  -3.011  -9.066
  385    HD3  ARG  53           HD1      ARG  53  -4.981  -1.888  -9.590
  386    HE   ARG  53           HE       ARG  53  -3.302  -0.102  -9.514
  387   HH11  ARG  53          HH11      ARG  53  -1.995  -3.432  -9.820
  388   HH12  ARG  53          HH12      ARG  53  -0.526  -2.859 -10.457
  389   HH21  ARG  53          HH21      ARG  53  -1.307   0.549 -10.430
  390   HH22  ARG  53          HH22      ARG  53  -0.105  -0.636 -10.791
  391    H    PHE  54           HN       PHE  54  -6.991   1.438  -6.210
  392    HA   PHE  54           HA       PHE  54  -9.140  -0.571  -6.104
  393    HB2  PHE  54           HB2      PHE  54  -8.107   1.226  -3.924
  394    HB3  PHE  54           HB1      PHE  54  -9.330  -0.022  -3.774
  395    HD1  PHE  54           HD1      PHE  54  -8.482  -2.414  -4.644
  396    HD2  PHE  54           HD2      PHE  54  -5.981   0.715  -3.184
  397    HE1  PHE  54           HE1      PHE  54  -6.717  -4.053  -4.140
  398    HE2  PHE  54           HE2      PHE  54  -4.253  -0.934  -2.658
  399    HZ   PHE  54           HZ       PHE  54  -4.595  -3.256  -3.088
  400    H    ASP  55           HN       ASP  55  -8.445   2.429  -7.146
  401    HA   ASP  55           HA       ASP  55  -9.426   4.406  -7.538
  402    HB2  ASP  55           HB2      ASP  55 -11.035   2.746  -8.683
  403    HB3  ASP  55           HB1      ASP  55 -12.073   2.982  -7.295
  404    H    VAL  56           HN       VAL  56  -8.966   3.609  -4.870
  405    HA   VAL  56           HA       VAL  56 -11.121   4.553  -3.204
  406    HB   VAL  56           HB       VAL  56  -9.860   2.622  -2.468
  407   HG11  VAL  56          HG11      VAL  56  -7.428   4.386  -2.432
  408   HG12  VAL  56          HG12      VAL  56  -7.750   3.043  -3.531
  409   HG13  VAL  56          HG13      VAL  56  -7.516   2.737  -1.811
  410   HG21  VAL  56          HG21      VAL  56  -9.216   3.295  -0.202
  411   HG22  VAL  56          HG22      VAL  56 -10.742   4.027  -0.705
  412   HG23  VAL  56          HG23      VAL  56  -9.261   4.985  -0.700
  413    H    LYS  57           HN       LYS  57  -8.226   5.749  -4.517
  414    HA   LYS  57           HA       LYS  57  -7.007   7.620  -4.393
  415    HB2  LYS  57           HB2      LYS  57  -9.275   8.491  -5.197
  416    HB3  LYS  57           HB1      LYS  57  -9.518   9.062  -3.554
  417    HG2  LYS  57           HG2      LYS  57  -8.732  10.884  -4.892
  418    HG3  LYS  57           HG1      LYS  57  -7.446  10.418  -3.776
  419    HD2  LYS  57           HD2      LYS  57  -6.361   9.134  -5.550
  420    HD3  LYS  57           HD1      LYS  57  -7.651   9.568  -6.668
  421    HE2  LYS  57           HE2      LYS  57  -5.683  10.949  -7.043
  422    HE3  LYS  57           HE1      LYS  57  -7.021  11.933  -6.456
  423    HZ1  LYS  57           HZ1      LYS  57  -4.801  12.392  -5.414
  424    HZ2  LYS  57           HZ2      LYS  57  -4.848  10.890  -4.709
  425    HZ3  LYS  57           HZ3      LYS  57  -6.012  12.061  -4.306
  426    H    ILE  58           HN       ILE  58  -5.677   7.044  -2.770
  427    HA   ILE  58           HA       ILE  58  -6.208   8.032  -0.054
  428    HB   ILE  58           HB       ILE  58  -3.880   6.359  -0.987
  429   HG12  ILE  58          HG12      ILE  58  -6.417   5.298   0.247
  430   HG13  ILE  58          HG11      ILE  58  -6.034   5.195  -1.467
  431   HG21  ILE  58          HG21      ILE  58  -3.524   7.443   1.147
  432   HG22  ILE  58          HG22      ILE  58  -3.789   5.723   1.420
  433   HG23  ILE  58          HG23      ILE  58  -5.087   6.866   1.734
  434   HD11  ILE  58          HD11      ILE  58  -4.426   3.983   0.760
  435   HD12  ILE  58          HD12      ILE  58  -4.065   3.890  -0.969
  436   HD13  ILE  58          HD13      ILE  58  -5.521   3.123  -0.327
  437    HA   PRO  59           HA       PRO  59  -3.326  11.149  -1.741
  438    HB2  PRO  59           HB2      PRO  59  -3.694  12.938   0.293
  439    HB3  PRO  59           HB1      PRO  59  -4.778  12.833  -1.099
  440    HG2  PRO  59           HG2      PRO  59  -5.107  11.708   1.649
  441    HG3  PRO  59           HG1      PRO  59  -6.306  12.499   0.607
  442    HD2  PRO  59           HD2      PRO  59  -6.160   9.813   0.894
  443    HD3  PRO  59           HD1      PRO  59  -6.687  10.588  -0.615
  444    H    ASP  60           HN       ASP  60  -1.173  11.540  -1.140
  445    HA   ASP  60           HA       ASP  60   0.161   9.948   0.565
  446    HB2  ASP  60           HB2      ASP  60   2.085  11.460   0.446
  447    HB3  ASP  60           HB1      ASP  60   1.308  11.322  -1.116
  448    H    ASP  61           HN       ASP  61  -1.560  12.836   1.370
  449    HA   ASP  61           HA       ASP  61  -0.670  13.458   3.918
  450    HB2  ASP  61           HB2      ASP  61  -2.253  14.866   2.742
  451    HB3  ASP  61           HB1      ASP  61  -3.470  13.597   2.791
  452    H    ASP  62           HN       ASP  62  -3.329  11.162   3.111
  453    HA   ASP  62           HA       ASP  62  -3.571  10.367   5.897
  454    HB2  ASP  62           HB2      ASP  62  -4.834   9.245   3.396
  455    HB3  ASP  62           HB1      ASP  62  -5.006   8.453   4.954
  456    H    VAL  63           HN       VAL  63  -1.890   9.351   3.187
  457    HA   VAL  63           HA       VAL  63  -1.102   6.820   4.020
  458    HB   VAL  63           HB       VAL  63  -0.125   8.809   2.078
  459   HG11  VAL  63          HG11      VAL  63   2.006   7.904   3.035
  460   HG12  VAL  63          HG12      VAL  63   1.756   7.370   1.370
  461   HG13  VAL  63          HG13      VAL  63   1.406   6.273   2.709
  462   HG21  VAL  63          HG21      VAL  63  -0.453   6.954   0.525
  463   HG22  VAL  63          HG22      VAL  63  -1.882   7.346   1.482
  464   HG23  VAL  63          HG23      VAL  63  -0.906   5.935   1.891
  465    H    LYS  64           HN       LYS  64  -0.155   9.909   5.176
  466    HA   LYS  64           HA       LYS  64   2.344   9.198   6.323
  467    HB2  LYS  64           HB2      LYS  64   0.419  11.340   7.194
  468    HB3  LYS  64           HB1      LYS  64   2.102  11.227   7.677
  469    HG2  LYS  64           HG2      LYS  64   2.748  11.571   5.297
  470    HG3  LYS  64           HG1      LYS  64   1.051  11.794   4.899
  471    HD2  LYS  64           HD2      LYS  64   2.643  13.483   6.842
  472    HD3  LYS  64           HD1      LYS  64   2.169  13.949   5.209
  473    HE2  LYS  64           HE2      LYS  64  -0.199  13.781   5.868
  474    HE3  LYS  64           HE1      LYS  64   0.298  13.337   7.498
  475    HZ1  LYS  64           HZ1      LYS  64  -0.263  15.615   7.438
  476    HZ2  LYS  64           HZ2      LYS  64   0.745  15.926   6.134
  477    HZ3  LYS  64           HZ3      LYS  64   1.416  15.532   7.652
  478    H    ASN  65           HN       ASN  65  -0.757   8.178   7.099
  479    HA   ASN  65           HA       ASN  65  -0.108   7.822   9.938
  480    HB2  ASN  65           HB2      ASN  65  -2.227   9.087   9.303
  481    HB3  ASN  65           HB1      ASN  65  -2.823   7.586   8.612
  482   HD21  ASN  65          HD21      ASN  65  -4.511   7.464  10.008
  483   HD22  ASN  65          HD22      ASN  65  -4.370   7.110  11.688
  484    H    LEU  66           HN       LEU  66  -0.356   6.375   6.912
  485    HA   LEU  66           HA       LEU  66  -0.888   3.655   7.864
  486    HB2  LEU  66           HB2      LEU  66  -0.182   4.595   5.079
  487    HB3  LEU  66           HB1      LEU  66  -0.857   3.067   5.617
  488    HG   LEU  66           HG       LEU  66  -2.380   5.685   5.645
  489   HD11  LEU  66          HD11      LEU  66  -3.542   4.816   3.681
  490   HD12  LEU  66          HD12      LEU  66  -2.465   3.417   3.673
  491   HD13  LEU  66          HD13      LEU  66  -1.816   5.030   3.367
  492   HD21  LEU  66          HD21      LEU  66  -3.261   4.040   7.235
  493   HD22  LEU  66          HD22      LEU  66  -3.278   2.825   5.950
  494   HD23  LEU  66          HD23      LEU  66  -4.343   4.204   5.844
  495    H    LYS  67           HN       LYS  67   0.629   2.322   7.955
  496    HA   LYS  67           HA       LYS  67   3.290   2.985   6.961
  497    HB2  LYS  67           HB2      LYS  67   4.145   1.893   9.301
  498    HB3  LYS  67           HB1      LYS  67   4.004   3.613   8.997
  499    HG2  LYS  67           HG2      LYS  67   3.074   3.008  11.170
  500    HG3  LYS  67           HG1      LYS  67   1.831   3.644  10.095
  501    HD2  LYS  67           HD2      LYS  67   1.148   1.304   9.601
  502    HD3  LYS  67           HD1      LYS  67   2.335   0.755  10.783
  503    HE2  LYS  67           HE2      LYS  67   0.038   0.882  11.646
  504    HE3  LYS  67           HE1      LYS  67   1.184   1.884  12.558
  505    HZ1  LYS  67           HZ1      LYS  67  -0.733   2.873  10.474
  506    HZ2  LYS  67           HZ2      LYS  67   0.270   3.841  11.428
  507    HZ3  LYS  67           HZ3      LYS  67  -0.965   2.955  12.129
  508    H    THR  68           HN       THR  68   1.036   0.535   7.637
  509    HA   THR  68           HA       THR  68   2.988  -1.365   6.595
  510    HB   THR  68           HB       THR  68   1.472  -3.149   7.599
  511    HG1  THR  68           HG1      THR  68   0.604  -1.765   9.684
  512   HG21  THR  68          HG21      THR  68   2.983  -1.335   9.478
  513   HG22  THR  68          HG22      THR  68   3.656  -2.654   8.511
  514   HG23  THR  68          HG23      THR  68   2.514  -3.009   9.808
  515    H    VAL  69           HN       VAL  69   2.083  -3.093   5.377
  516    HA   VAL  69           HA       VAL  69   0.434  -2.389   3.264
  517    HB   VAL  69           HB       VAL  69   0.165  -5.019   3.128
  518   HG11  VAL  69          HG11      VAL  69   2.903  -3.703   3.070
  519   HG12  VAL  69          HG12      VAL  69   1.743  -3.654   1.742
  520   HG13  VAL  69          HG13      VAL  69   2.462  -5.189   2.233
  521   HG21  VAL  69          HG21      VAL  69   2.325  -4.694   5.166
  522   HG22  VAL  69          HG22      VAL  69   1.890  -6.188   4.332
  523   HG23  VAL  69          HG23      VAL  69   0.739  -5.414   5.422
  524    H    GLY  70           HN       GLY  70  -0.336  -4.116   6.275
  525    HA2  GLY  70           HA2      GLY  70  -3.051  -4.538   5.633
  526    HA3  GLY  70           HA1      GLY  70  -2.314  -4.679   7.223
  527    H    ASP  71           HN       ASP  71  -1.296  -1.940   7.204
  528    HA   ASP  71           HA       ASP  71  -3.580  -0.659   8.316
  529    HB2  ASP  71           HB2      ASP  71  -1.042  -0.199   8.885
  530    HB3  ASP  71           HB1      ASP  71  -1.096   0.755   7.431
  531    H    ALA  72           HN       ALA  72  -1.695  -0.242   5.350
  532    HA   ALA  72           HA       ALA  72  -3.159   1.810   4.164
  533    HB1  ALA  72           HB1      ALA  72  -2.284   0.966   2.026
  534    HB2  ALA  72           HB2      ALA  72  -1.794  -0.532   2.819
  535    HB3  ALA  72           HB3      ALA  72  -1.026   0.994   3.263
  536    H    THR  73           HN       THR  73  -3.463  -1.710   3.563
  537    HA   THR  73           HA       THR  73  -5.761  -1.933   2.262
  538    HB   THR  73           HB       THR  73  -4.685  -3.553   4.549
  539    HG1  THR  73           HG1      THR  73  -3.260  -3.709   2.964
  540   HG21  THR  73          HG21      THR  73  -6.063  -5.415   3.639
  541   HG22  THR  73          HG22      THR  73  -6.803  -4.253   2.515
  542   HG23  THR  73          HG23      THR  73  -7.052  -4.074   4.236
  543    H    LYS  74           HN       LYS  74  -5.509  -1.587   5.838
  544    HA   LYS  74           HA       LYS  74  -8.221  -1.891   6.390
  545    HB2  LYS  74           HB2      LYS  74  -6.289  -1.987   8.003
  546    HB3  LYS  74           HB1      LYS  74  -6.243  -0.234   7.956
  547    HG2  LYS  74           HG2      LYS  74  -7.412  -1.102   9.921
  548    HG3  LYS  74           HG1      LYS  74  -8.466  -0.120   8.894
  549    HD2  LYS  74           HD2      LYS  74  -9.528  -2.041   7.997
  550    HD3  LYS  74           HD1      LYS  74  -8.316  -3.116   8.688
  551    HE2  LYS  74           HE2      LYS  74 -10.243  -1.437  10.281
  552    HE3  LYS  74           HE1      LYS  74 -10.463  -3.150   9.905
  553    HZ1  LYS  74           HZ1      LYS  74  -8.275  -1.955  11.531
  554    HZ2  LYS  74           HZ2      LYS  74  -8.318  -3.552  10.983
  555    HZ3  LYS  74           HZ3      LYS  74  -9.485  -3.028  12.060
  556    H    TYR  75           HN       TYR  75  -6.353   0.945   5.509
  557    HA   TYR  75           HA       TYR  75  -8.422   2.845   6.000
  558    HB2  TYR  75           HB2      TYR  75  -6.084   3.558   5.900
  559    HB3  TYR  75           HB1      TYR  75  -5.945   2.969   4.255
  560    HD1  TYR  75           HD1      TYR  75  -7.268   5.625   6.399
  561    HD2  TYR  75           HD2      TYR  75  -6.844   4.263   2.394
  562    HE1  TYR  75           HE1      TYR  75  -7.898   7.846   5.591
  563    HE2  TYR  75           HE2      TYR  75  -7.477   6.495   1.572
  564    HH   TYR  75           HH       TYR  75  -8.783   8.457   2.435
  565    H    ILE  76           HN       ILE  76  -7.282   1.036   3.227
  566    HA   ILE  76           HA       ILE  76  -9.001   2.150   1.330
  567    HB   ILE  76           HB       ILE  76  -7.652  -0.565   1.327
  568   HG12  ILE  76          HG12      ILE  76  -6.710   2.028   0.108
  569   HG13  ILE  76          HG11      ILE  76  -6.170   1.425   1.667
  570   HG21  ILE  76          HG21      ILE  76  -9.449  -0.332  -0.360
  571   HG22  ILE  76          HG22      ILE  76  -7.858  -0.417  -1.117
  572   HG23  ILE  76          HG23      ILE  76  -8.681   1.137  -0.962
  573   HD11  ILE  76          HD11      ILE  76  -5.248  -0.542   0.578
  574   HD12  ILE  76          HD12      ILE  76  -4.560   0.952  -0.066
  575   HD13  ILE  76          HD13      ILE  76  -5.785   0.073  -0.986
  576    H    LEU  77           HN       LEU  77  -9.121  -0.760   3.294
  577    HA   LEU  77           HA       LEU  77 -11.470  -1.993   2.573
  578    HB2  LEU  77           HB2      LEU  77  -9.889  -2.794   4.274
  579    HB3  LEU  77           HB1      LEU  77 -10.375  -1.501   5.345
  580    HG   LEU  77           HG       LEU  77 -12.678  -2.520   5.338
  581   HD11  LEU  77          HD11      LEU  77 -12.860  -4.853   4.727
  582   HD12  LEU  77          HD12      LEU  77 -11.217  -4.811   4.091
  583   HD13  LEU  77          HD13      LEU  77 -12.477  -3.833   3.340
  584   HD21  LEU  77          HD21      LEU  77 -12.081  -4.245   6.958
  585   HD22  LEU  77          HD22      LEU  77 -11.153  -2.764   7.205
  586   HD23  LEU  77          HD23      LEU  77 -10.403  -4.156   6.425
  587    H    ASP  78           HN       ASP  78 -10.949   0.751   4.577
  588    HA   ASP  78           HA       ASP  78 -13.738   1.070   5.337
  589    HB2  ASP  78           HB2      ASP  78 -11.967   1.588   6.942
  590    HB3  ASP  78           HB1      ASP  78 -11.345   2.836   5.871
  591    H    HIS  79           HN       HIS  79 -11.480   2.581   3.188
  592    HA   HIS  79           HA       HIS  79 -13.328   4.707   2.447
  593    HB2  HIS  79           HB2      HIS  79 -10.447   4.314   2.356
  594    HB3  HIS  79           HB1      HIS  79 -11.056   5.274   1.033
  595    HD1  HIS  79           HD1      HIS  79 -11.085   7.716   1.606
  596    HD2  HIS  79           HD2      HIS  79 -11.511   5.319   4.974
  597    HE1  HIS  79           HE1      HIS  79 -11.207   9.282   3.532
  598    HE2  HIS  79           HE2      HIS  79 -11.151   7.809   5.549
  599    H    GLN  80           HN       GLN  80 -13.034   1.733   1.391
  600    HA   GLN  80           HA       GLN  80 -12.663   1.380  -1.239
  601    HB2  GLN  80           HB2      GLN  80 -14.942   0.523   0.431
  602    HB3  GLN  80           HB1      GLN  80 -14.803  -0.058  -1.238
  603    HG2  GLN  80           HG2      GLN  80 -12.926  -0.483   1.076
  604    HG3  GLN  80           HG1      GLN  80 -14.019  -1.671   0.372
  605   HE21  GLN  80          HE21      GLN  80 -11.195  -1.743   0.727
  606   HE22  GLN  80          HE22      GLN  80 -10.486  -1.989  -0.827
  607    H    ALA  81           HN       ALA  81 -13.424   2.033  -3.178
  608    HA   ALA  81           HA       ALA  81 -15.631   3.923  -3.217
  609    HB1  ALA  81           HB1      ALA  81 -14.820   4.461  -5.472
  610    HB2  ALA  81           HB2      ALA  81 -13.577   3.221  -5.316
  611    HB3  ALA  81           HB3      ALA  81 -13.543   4.640  -4.269
  612    H2   SHW 101           H2A      SHW 101   3.124   5.720   3.587
  613    H2A  SHW 101           H2B      SHW 101   4.422   5.240   2.495
  614    H3   SHW 101           H3A      SHW 101   3.512   3.738   4.994
  615    HO3  SHW 101           HO3      SHW 101   5.658   3.445   3.243
  616    H4   SHW 101           H4A      SHW 101   2.685   2.080   3.370
  617    H4A  SHW 101           H4B      SHW 101   3.159   3.137   2.052
  618    H5   SHW 101           H5A      SHW 101   1.558   4.822   2.858
  619    H5A  SHW 101           H5B      SHW 101   1.044   3.695   4.112
  620    H6   SHW 101           H6A      SHW 101  -0.500   3.606   2.255
  621    H6A  SHW 101           H6B      SHW 101   0.379   2.084   2.377
  622    H7   SHW 101           H7A      SHW 101   1.865   2.768   0.559
  623    H7A  SHW 101           H7B      SHW 101   1.011   4.319   0.444
  624    H8   SHW 101           H8C      SHW 101   0.228   2.730  -1.247
  625    H8A  SHW 101           H8A      SHW 101  -1.053   3.120  -0.100
  626    H8B  SHW 101           H8B      SHW 101  -0.194   1.585   0.026
  627    H28  SHW 101          H28A      SHW 101  11.496  11.019  -1.274
  628   H28A  SHW 101          H28B      SHW 101  10.521   9.731  -0.571
  629    H30  SHW 101          H30A      SHW 101   9.268  13.767  -0.365
  630   H30A  SHW 101          H30B      SHW 101  10.778  13.325  -1.162
  631   H30B  SHW 101          H30C      SHW 101  10.635  13.195   0.591
  632    H31  SHW 101          H31A      SHW 101   8.624  10.488  -1.982
  633   H31A  SHW 101          H31B      SHW 101   9.610  11.796  -2.635
  634   H31B  SHW 101          H31C      SHW 101   8.058  12.156  -1.876
  635    H32  SHW 101          H32A      SHW 101   8.985  11.683   1.631
  636   HO33  SHW 101          H33A      SHW 101   6.797  11.222   0.180
  637   HN36  SHW 101          H36A      SHW 101   9.881   9.516   1.806
  638    H37  SHW 101          H37A      SHW 101   7.790   7.428   1.665
  639   H37A  SHW 101          H37B      SHW 101   9.323   7.105   0.881
  640    H38  SHW 101          H38A      SHW 101   9.306   6.039   3.002
  641   H38A  SHW 101          H38B      SHW 101  10.483   7.366   3.074
  642   HN41  SHW 101          H41A      SHW 101   7.219   8.237   3.122
  643    H42  SHW 101          H42A      SHW 101   6.802   8.267   6.028
  644   H42A  SHW 101          H42B      SHW 101   6.939   9.771   5.178
  645    H43  SHW 101          H43A      SHW 101   5.109   8.919   3.566
  646   H43A  SHW 101          H43B      SHW 101   4.797   9.636   5.120
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1 -15.816  -1.866  -4.289
    2    H2   ALA   1           HT2      ALA   1 -14.378  -1.076  -3.941
    3    H3   ALA   1           HT3      ALA   1 -15.845  -0.431  -3.400
    4    HA   ALA   1           HA       ALA   1 -14.545  -1.625  -1.657
    5    HB1  ALA   1           HB1      ALA   1 -16.982  -1.438  -1.465
    6    HB2  ALA   1           HB2      ALA   1 -16.405  -2.973  -0.818
    7    HB3  ALA   1           HB3      ALA   1 -17.171  -2.918  -2.406
    8    H    ALA   2           HN       ALA   2 -13.459  -3.644  -0.935
    9    HA   ALA   2           HA       ALA   2 -13.595  -5.811  -2.788
   10    HB1  ALA   2           HB1      ALA   2 -11.024  -4.285  -2.335
   11    HB2  ALA   2           HB2      ALA   2 -11.914  -4.388  -3.856
   12    HB3  ALA   2           HB3      ALA   2 -11.171  -5.834  -3.168
   13    H    THR   3           HN       THR   3 -12.443  -7.624  -1.901
   14    HA   THR   3           HA       THR   3 -12.697  -7.770   0.922
   15    HB   THR   3           HB       THR   3 -11.237  -9.688  -0.903
   16    HG1  THR   3           HG1      THR   3 -13.001  -9.975  -1.874
   17   HG21  THR   3          HG21      THR   3 -12.888 -10.042   1.586
   18   HG22  THR   3          HG22      THR   3 -11.124 -10.083   1.497
   19   HG23  THR   3          HG23      THR   3 -12.078 -11.344   0.698
   20    H    GLN   4           HN       GLN   4 -11.064  -7.515   2.364
   21    HA   GLN   4           HA       GLN   4  -8.851  -5.973   1.800
   22    HB2  GLN   4           HB2      GLN   4  -9.181  -7.864   4.103
   23    HB3  GLN   4           HB1      GLN   4  -7.998  -6.565   4.005
   24    HG2  GLN   4           HG2      GLN   4  -9.844  -4.944   3.778
   25    HG3  GLN   4           HG1      GLN   4 -10.984  -6.237   3.966
   26   HE21  GLN   4          HE21      GLN   4  -9.235  -7.664   5.947
   27   HE22  GLN   4          HE22      GLN   4  -9.464  -6.793   7.407
   28    H    GLU   5           HN       GLU   5  -9.105  -9.346   1.523
   29    HA   GLU   5           HA       GLU   5  -6.345 -10.099   1.418
   30    HB2  GLU   5           HB2      GLU   5  -8.629 -11.327  -0.117
   31    HB3  GLU   5           HB1      GLU   5  -7.108 -12.088   0.323
   32    HG2  GLU   5           HG2      GLU   5  -9.277 -11.235   2.210
   33    HG3  GLU   5           HG1      GLU   5  -8.930 -12.883   1.696
   34    H    GLU   6           HN       GLU   6  -8.609  -8.883  -0.961
   35    HA   GLU   6           HA       GLU   6  -6.659  -9.148  -3.022
   36    HB2  GLU   6           HB2      GLU   6  -8.975  -9.548  -3.625
   37    HB3  GLU   6           HB1      GLU   6  -9.423  -7.945  -3.046
   38    HG2  GLU   6           HG2      GLU   6  -8.211  -6.894  -4.812
   39    HG3  GLU   6           HG1      GLU   6  -7.496  -8.424  -5.301
   40    H    ILE   7           HN       ILE   7  -7.742  -6.769  -0.801
   41    HA   ILE   7           HA       ILE   7  -6.696  -4.475  -2.082
   42    HB   ILE   7           HB       ILE   7  -6.921  -5.055   0.874
   43   HG12  ILE   7          HG12      ILE   7  -8.958  -3.854  -1.030
   44   HG13  ILE   7          HG11      ILE   7  -9.054  -5.394  -0.212
   45   HG21  ILE   7          HG21      ILE   7  -6.801  -2.443  -0.657
   46   HG22  ILE   7          HG22      ILE   7  -5.520  -3.112   0.351
   47   HG23  ILE   7          HG23      ILE   7  -7.037  -2.591   1.085
   48   HD11  ILE   7          HD11      ILE   7  -9.177  -4.294   1.943
   49   HD12  ILE   7          HD12      ILE   7 -10.466  -3.762   0.873
   50   HD13  ILE   7          HD13      ILE   7  -9.066  -2.719   1.161
   51    H    VAL   8           HN       VAL   8  -5.377  -6.382   0.644
   52    HA   VAL   8           HA       VAL   8  -2.760  -5.461   0.532
   53    HB   VAL   8           HB       VAL   8  -3.729  -8.231   1.347
   54   HG11  VAL   8          HG11      VAL   8  -1.159  -6.822   2.038
   55   HG12  VAL   8          HG12      VAL   8  -1.344  -8.215   0.969
   56   HG13  VAL   8          HG13      VAL   8  -1.704  -8.375   2.690
   57   HG21  VAL   8          HG21      VAL   8  -3.282  -5.747   2.998
   58   HG22  VAL   8          HG22      VAL   8  -3.747  -7.329   3.629
   59   HG23  VAL   8          HG23      VAL   8  -4.839  -6.434   2.575
   60    H    ALA   9           HN       ALA   9  -4.289  -8.044  -1.362
   61    HA   ALA   9           HA       ALA   9  -1.945  -8.978  -2.602
   62    HB1  ALA   9           HB1      ALA   9  -4.751  -8.985  -3.725
   63    HB2  ALA   9           HB2      ALA   9  -4.047 -10.237  -2.703
   64    HB3  ALA   9           HB3      ALA   9  -3.403  -9.954  -4.322
   65    H    GLY  10           HN       GLY  10  -4.283  -6.475  -3.529
   66    HA2  GLY  10           HA2      GLY  10  -3.128  -5.695  -5.951
   67    HA3  GLY  10           HA1      GLY  10  -4.140  -4.692  -4.913
   68    H    LEU  11           HN       LEU  11  -2.631  -4.538  -2.623
   69    HA   LEU  11           HA       LEU  11  -0.757  -2.587  -3.160
   70    HB2  LEU  11           HB2      LEU  11  -1.144  -4.435  -0.826
   71    HB3  LEU  11           HB1      LEU  11  -0.021  -3.107  -0.790
   72    HG   LEU  11           HG       LEU  11  -3.017  -2.910  -1.079
   73   HD11  LEU  11          HD11      LEU  11  -2.911  -1.892   1.140
   74   HD12  LEU  11          HD12      LEU  11  -1.173  -2.185   1.190
   75   HD13  LEU  11          HD13      LEU  11  -2.295  -3.543   1.155
   76   HD21  LEU  11          HD21      LEU  11  -0.937  -0.734  -0.881
   77   HD22  LEU  11          HD22      LEU  11  -2.683  -0.495  -0.864
   78   HD23  LEU  11          HD23      LEU  11  -1.894  -1.129  -2.311
   79    H    ALA  12           HN       ALA  12  -0.359  -6.018  -2.463
   80    HA   ALA  12           HA       ALA  12   2.400  -6.200  -2.495
   81    HB1  ALA  12           HB1      ALA  12   0.393  -8.279  -3.345
   82    HB2  ALA  12           HB2      ALA  12   0.893  -7.949  -1.687
   83    HB3  ALA  12           HB3      ALA  12   2.055  -8.586  -2.841
   84    H    GLU  13           HN       GLU  13   0.111  -6.547  -5.178
   85    HA   GLU  13           HA       GLU  13   2.157  -7.167  -7.040
   86    HB2  GLU  13           HB2      GLU  13   0.497  -6.866  -8.835
   87    HB3  GLU  13           HB1      GLU  13  -0.126  -7.877  -7.544
   88    HG2  GLU  13           HG2      GLU  13  -1.406  -5.996  -6.696
   89    HG3  GLU  13           HG1      GLU  13  -0.747  -4.971  -7.965
   90    H    ILE  14           HN       ILE  14   0.692  -4.193  -6.144
   91    HA   ILE  14           HA       ILE  14   1.946  -2.511  -8.021
   92    HB   ILE  14           HB       ILE  14   0.899  -2.058  -5.222
   93   HG12  ILE  14          HG12      ILE  14  -0.250  -1.194  -7.868
   94   HG13  ILE  14          HG11      ILE  14  -0.637  -2.733  -7.106
   95   HG21  ILE  14          HG21      ILE  14   1.787   0.011  -7.222
   96   HG22  ILE  14          HG22      ILE  14   2.583  -0.369  -5.695
   97   HG23  ILE  14          HG23      ILE  14   0.964   0.339  -5.694
   98   HD11  ILE  14          HD11      ILE  14  -1.483  -1.599  -5.196
   99   HD12  ILE  14          HD12      ILE  14  -2.331  -1.093  -6.663
  100   HD13  ILE  14          HD13      ILE  14  -1.123  -0.020  -5.910
  101    H    VAL  15           HN       VAL  15   2.829  -3.469  -4.725
  102    HA   VAL  15           HA       VAL  15   5.258  -2.128  -4.530
  103    HB   VAL  15           HB       VAL  15   4.379  -4.736  -3.258
  104   HG11  VAL  15          HG11      VAL  15   6.835  -4.645  -3.255
  105   HG12  VAL  15          HG12      VAL  15   6.190  -4.430  -1.629
  106   HG13  VAL  15          HG13      VAL  15   6.778  -3.035  -2.537
  107   HG21  VAL  15          HG21      VAL  15   4.539  -1.926  -2.206
  108   HG22  VAL  15          HG22      VAL  15   4.058  -3.345  -1.274
  109   HG23  VAL  15          HG23      VAL  15   3.071  -2.805  -2.632
  110    H    ASN  16           HN       ASN  16   4.596  -5.361  -5.811
  111    HA   ASN  16           HA       ASN  16   7.287  -5.996  -6.309
  112    HB2  ASN  16           HB2      ASN  16   5.403  -7.626  -6.287
  113    HB3  ASN  16           HB1      ASN  16   4.918  -7.011  -7.862
  114   HD21  ASN  16          HD21      ASN  16   7.429  -8.629  -6.118
  115   HD22  ASN  16          HD22      ASN  16   8.198  -9.400  -7.449
  116    H    GLU  17           HN       GLU  17   4.968  -4.227  -8.194
  117    HA   GLU  17           HA       GLU  17   6.628  -4.162 -10.531
  118    HB2  GLU  17           HB2      GLU  17   4.194  -4.126 -10.735
  119    HB3  GLU  17           HB1      GLU  17   4.126  -2.613  -9.848
  120    HG2  GLU  17           HG2      GLU  17   5.237  -1.457 -11.639
  121    HG3  GLU  17           HG1      GLU  17   5.493  -2.976 -12.501
  122    H    ILE  18           HN       ILE  18   5.891  -1.857  -7.923
  123    HA   ILE  18           HA       ILE  18   7.620   0.134  -9.174
  124    HB   ILE  18           HB       ILE  18   5.949   0.312  -6.631
  125   HG12  ILE  18          HG12      ILE  18   5.495   1.616  -9.266
  126   HG13  ILE  18          HG11      ILE  18   4.755   0.039  -8.905
  127   HG21  ILE  18          HG21      ILE  18   7.856   1.857  -6.632
  128   HG22  ILE  18          HG22      ILE  18   6.326   2.714  -6.822
  129   HG23  ILE  18          HG23      ILE  18   7.369   2.449  -8.221
  130   HD11  ILE  18          HD11      ILE  18   4.342   2.695  -7.552
  131   HD12  ILE  18          HD12      ILE  18   3.615   1.178  -7.021
  132   HD13  ILE  18          HD13      ILE  18   3.202   1.850  -8.597
  133    H    ALA  19           HN       ALA  19   7.486  -1.542  -6.002
  134    HA   ALA  19           HA       ALA  19  10.023  -0.492  -5.127
  135    HB1  ALA  19           HB1      ALA  19   8.282  -1.059  -3.531
  136    HB2  ALA  19           HB2      ALA  19   9.735  -2.019  -3.243
  137    HB3  ALA  19           HB3      ALA  19   8.342  -2.745  -4.047
  138    H    GLY  20           HN       GLY  20   8.771  -3.485  -6.470
  139    HA2  GLY  20           HA2      GLY  20   9.958  -5.033  -7.799
  140    HA3  GLY  20           HA1      GLY  20  11.472  -4.358  -7.206
  141    H    ILE  21           HN       ILE  21   9.080  -4.961  -4.910
  142    HA   ILE  21           HA       ILE  21  10.705  -7.103  -3.756
  143    HB   ILE  21           HB       ILE  21   8.603  -5.306  -2.509
  144   HG12  ILE  21          HG12      ILE  21  10.615  -4.077  -3.033
  145   HG13  ILE  21          HG11      ILE  21  10.503  -4.298  -1.294
  146   HG21  ILE  21          HG21      ILE  21   9.298  -6.197  -0.333
  147   HG22  ILE  21          HG22      ILE  21  10.354  -7.350  -1.149
  148   HG23  ILE  21          HG23      ILE  21   8.608  -7.448  -1.369
  149   HD11  ILE  21          HD11      ILE  21  12.144  -6.106  -1.422
  150   HD12  ILE  21          HD12      ILE  21  12.783  -4.597  -2.076
  151   HD13  ILE  21          HD13      ILE  21  12.256  -5.879  -3.169
  152    HA   PRO  22           HA       PRO  22   7.941 -10.510  -4.726
  153    HB2  PRO  22           HB2      PRO  22   8.079 -11.213  -1.934
  154    HB3  PRO  22           HB1      PRO  22   8.785 -12.033  -3.327
  155    HG2  PRO  22           HG2      PRO  22  10.014 -10.114  -1.467
  156    HG3  PRO  22           HG1      PRO  22  10.789 -11.291  -2.540
  157    HD2  PRO  22           HD2      PRO  22  10.943  -8.668  -3.066
  158    HD3  PRO  22           HD1      PRO  22  10.705  -9.872  -4.365
  159    H    VAL  23           HN       VAL  23   5.941 -10.541  -4.948
  160    HA   VAL  23           HA       VAL  23   3.969  -8.916  -3.730
  161    HB   VAL  23           HB       VAL  23   3.708 -11.606  -5.134
  162   HG11  VAL  23          HG11      VAL  23   1.674 -11.073  -3.950
  163   HG12  VAL  23          HG12      VAL  23   1.425 -10.942  -5.690
  164   HG13  VAL  23          HG13      VAL  23   1.618  -9.485  -4.717
  165   HG21  VAL  23          HG21      VAL  23   3.559  -8.835  -6.290
  166   HG22  VAL  23          HG22      VAL  23   3.226 -10.331  -7.162
  167   HG23  VAL  23          HG23      VAL  23   4.847 -10.010  -6.545
  168    H    GLU  24           HN       GLU  24   5.362 -11.922  -3.146
  169    HA   GLU  24           HA       GLU  24   3.368 -12.650  -1.267
  170    HB2  GLU  24           HB2      GLU  24   5.596 -14.296  -2.410
  171    HB3  GLU  24           HB1      GLU  24   4.419 -14.901  -1.246
  172    HG2  GLU  24           HG2      GLU  24   2.610 -14.388  -2.785
  173    HG3  GLU  24           HG1      GLU  24   3.773 -13.770  -3.953
  174    H    ASP  25           HN       ASP  25   6.045 -10.874  -1.015
  175    HA   ASP  25           HA       ASP  25   6.598 -11.902   1.664
  176    HB2  ASP  25           HB2      ASP  25   8.561 -11.311   0.164
  177    HB3  ASP  25           HB1      ASP  25   8.043  -9.633   0.268
  178    H    VAL  26           HN       VAL  26   4.785  -9.815  -0.057
  179    HA   VAL  26           HA       VAL  26   4.485  -7.724   1.892
  180    HB   VAL  26           HB       VAL  26   3.008  -8.324  -0.706
  181   HG11  VAL  26          HG11      VAL  26   1.566  -7.127   0.854
  182   HG12  VAL  26          HG12      VAL  26   2.034  -6.161  -0.544
  183   HG13  VAL  26          HG13      VAL  26   2.807  -5.863   1.033
  184   HG21  VAL  26          HG21      VAL  26   4.220  -6.399  -1.563
  185   HG22  VAL  26          HG22      VAL  26   5.351  -7.622  -0.956
  186   HG23  VAL  26          HG23      VAL  26   4.987  -6.183   0.005
  187    H    LYS  27           HN       LYS  27   4.112  -9.350   3.510
  188    HA   LYS  27           HA       LYS  27   1.513 -10.570   3.770
  189    HB2  LYS  27           HB2      LYS  27   3.828 -10.177   5.664
  190    HB3  LYS  27           HB1      LYS  27   2.453 -11.242   5.887
  191    HG2  LYS  27           HG2      LYS  27   4.490 -11.519   3.695
  192    HG3  LYS  27           HG1      LYS  27   4.533 -12.430   5.214
  193    HD2  LYS  27           HD2      LYS  27   2.282 -13.331   4.628
  194    HD3  LYS  27           HD1      LYS  27   2.412 -12.508   3.071
  195    HE2  LYS  27           HE2      LYS  27   4.421 -13.786   2.556
  196    HE3  LYS  27           HE1      LYS  27   4.318 -14.591   4.119
  197    HZ1  LYS  27           HZ1      LYS  27   2.116 -15.431   3.406
  198    HZ2  LYS  27           HZ2      LYS  27   3.397 -16.044   2.538
  199    HZ3  LYS  27           HZ3      LYS  27   2.410 -14.831   1.849
  200    H    LEU  28           HN       LEU  28   0.435 -10.027   5.940
  201    HA   LEU  28           HA       LEU  28  -0.206  -7.222   5.555
  202    HB2  LEU  28           HB2      LEU  28  -1.885  -9.124   5.601
  203    HB3  LEU  28           HB1      LEU  28  -1.562  -9.215   7.316
  204    HG   LEU  28           HG       LEU  28  -2.434  -6.626   6.216
  205   HD11  LEU  28          HD11      LEU  28  -4.231  -9.002   6.694
  206   HD12  LEU  28          HD12      LEU  28  -3.878  -8.244   5.135
  207   HD13  LEU  28          HD13      LEU  28  -4.794  -7.354   6.362
  208   HD21  LEU  28          HD21      LEU  28  -1.956  -6.856   8.616
  209   HD22  LEU  28          HD22      LEU  28  -3.157  -8.147   8.737
  210   HD23  LEU  28          HD23      LEU  28  -3.662  -6.500   8.345
  211    H    ASP  29           HN       ASP  29   1.960  -8.644   7.463
  212    HA   ASP  29           HA       ASP  29   1.574  -6.666   9.555
  213    HB2  ASP  29           HB2      ASP  29   2.919  -8.092  10.921
  214    HB3  ASP  29           HB1      ASP  29   1.528  -8.992  10.345
  215    H    LYS  30           HN       LYS  30   2.771  -6.611   6.808
  216    HA   LYS  30           HA       LYS  30   5.602  -6.080   7.368
  217    HB2  LYS  30           HB2      LYS  30   4.026  -6.310   4.837
  218    HB3  LYS  30           HB1      LYS  30   5.687  -5.766   4.867
  219    HG2  LYS  30           HG2      LYS  30   4.743  -8.434   5.903
  220    HG3  LYS  30           HG1      LYS  30   5.349  -8.165   4.271
  221    HD2  LYS  30           HD2      LYS  30   7.487  -7.373   5.256
  222    HD3  LYS  30           HD1      LYS  30   6.857  -7.800   6.852
  223    HE2  LYS  30           HE2      LYS  30   6.622 -10.122   6.149
  224    HE3  LYS  30           HE1      LYS  30   7.199  -9.699   4.537
  225    HZ1  LYS  30           HZ1      LYS  30   8.783  -9.388   7.027
  226    HZ2  LYS  30           HZ2      LYS  30   9.334  -9.168   5.437
  227    HZ3  LYS  30           HZ3      LYS  30   8.911 -10.695   5.957
  228    H    SER  31           HN       SER  31   6.492  -4.086   7.269
  229    HA   SER  31           HA       SER  31   4.766  -1.862   6.509
  230    HB2  SER  31           HB2      SER  31   5.928  -1.649   8.679
  231    HB3  SER  31           HB1      SER  31   7.482  -1.886   7.881
  232    HG   SER  31           HG       SER  31   5.649   0.256   7.549
  233    H    PHE  32           HN       PHE  32   4.888  -1.368   4.493
  234    HA   PHE  32           HA       PHE  32   6.369  -2.012   2.419
  235    HB2  PHE  32           HB2      PHE  32   5.533   0.791   3.054
  236    HB3  PHE  32           HB1      PHE  32   6.097   0.287   1.473
  237    HD1  PHE  32           HD1      PHE  32   4.769  -1.574   0.324
  238    HD2  PHE  32           HD2      PHE  32   3.338   0.604   3.667
  239    HE1  PHE  32           HE1      PHE  32   2.489  -2.246  -0.233
  240    HE2  PHE  32           HE2      PHE  32   1.047  -0.045   3.128
  241    HZ   PHE  32           HZ       PHE  32   0.601  -1.469   1.148
  242    H    THR  33           HN       THR  33   7.435   1.208   3.580
  243    HA   THR  33           HA       THR  33  10.052   0.629   2.652
  244    HB   THR  33           HB       THR  33  10.244   3.034   3.858
  245    HG1  THR  33           HG1      THR  33   8.290   3.950   3.929
  246   HG21  THR  33          HG21      THR  33   9.058   2.347   1.169
  247   HG22  THR  33          HG22      THR  33  10.763   2.407   1.548
  248   HG23  THR  33          HG23      THR  33   9.800   3.888   1.598
  249    H    ASP  34           HN       ASP  34   9.755  -1.150   4.593
  250    HA   ASP  34           HA       ASP  34  11.987  -0.508   6.279
  251    HB2  ASP  34           HB2      ASP  34  10.185   0.461   7.593
  252    HB3  ASP  34           HB1      ASP  34   9.300  -1.053   7.531
  253    H    ASP  35           HN       ASP  35   9.245  -2.724   6.330
  254    HA   ASP  35           HA       ASP  35  10.906  -5.022   6.814
  255    HB2  ASP  35           HB2      ASP  35   7.963  -4.683   6.277
  256    HB3  ASP  35           HB1      ASP  35   8.652  -6.267   6.466
  257    H    LEU  36           HN       LEU  36   8.957  -3.823   4.172
  258    HA   LEU  36           HA       LEU  36   9.726  -5.978   2.399
  259    HB2  LEU  36           HB2      LEU  36   8.303  -3.381   1.814
  260    HB3  LEU  36           HB1      LEU  36   8.448  -4.736   0.714
  261    HG   LEU  36           HG       LEU  36   6.974  -4.797   3.343
  262   HD11  LEU  36          HD11      LEU  36   5.949  -4.650   0.514
  263   HD12  LEU  36          HD12      LEU  36   5.877  -3.360   1.713
  264   HD13  LEU  36          HD13      LEU  36   4.962  -4.849   1.963
  265   HD21  LEU  36          HD21      LEU  36   7.888  -6.960   2.701
  266   HD22  LEU  36          HD22      LEU  36   7.157  -6.804   1.102
  267   HD23  LEU  36          HD23      LEU  36   6.133  -6.942   2.529
  268    H    ASP  37           HN       ASP  37  10.271  -2.559   2.687
  269    HA   ASP  37           HA       ASP  37  11.871  -1.158   2.202
  270    HB2  ASP  37           HB2      ASP  37  13.619  -2.831   2.765
  271    HB3  ASP  37           HB1      ASP  37  13.554  -3.439   1.111
  272    H    VAL  38           HN       VAL  38  10.743  -0.080   0.944
  273    HA   VAL  38           HA       VAL  38  10.436  -0.852  -1.849
  274    HB   VAL  38           HB       VAL  38   9.029   1.337  -0.240
  275   HG11  VAL  38          HG11      VAL  38   8.465   0.412  -3.062
  276   HG12  VAL  38          HG12      VAL  38   9.158   1.968  -2.608
  277   HG13  VAL  38          HG13      VAL  38   7.501   1.569  -2.142
  278   HG21  VAL  38          HG21      VAL  38   8.377  -0.900   0.433
  279   HG22  VAL  38          HG22      VAL  38   8.023  -1.320  -1.242
  280   HG23  VAL  38          HG23      VAL  38   7.056  -0.097  -0.417
  281    H    ASP  39           HN       ASP  39  10.475   2.396  -0.749
  282    HA   ASP  39           HA       ASP  39  13.019   3.331  -1.209
  283    HB2  ASP  39           HB2      ASP  39  12.306   2.520  -3.705
  284    HB3  ASP  39           HB1      ASP  39  11.248   3.924  -3.492
  285    H    SER  40           HN       SER  40  12.559   5.747  -1.886
  286    HA   SER  40           HA       SER  40  10.363   6.482  -0.093
  287    HB2  SER  40           HB2      SER  40  12.723   7.306   0.427
  288    HB3  SER  40           HB1      SER  40  12.578   8.341  -1.004
  289    H    LEU  41           HN       LEU  41  11.632   6.802  -3.259
  290    HA   LEU  41           HA       LEU  41   9.689   8.814  -4.057
  291    HB2  LEU  41           HB2      LEU  41  11.636   7.222  -5.724
  292    HB3  LEU  41           HB1      LEU  41  10.667   8.565  -6.296
  293    HG   LEU  41           HG       LEU  41  12.892   8.704  -4.270
  294   HD11  LEU  41          HD11      LEU  41  14.035  10.006  -5.988
  295   HD12  LEU  41          HD12      LEU  41  12.692   9.720  -7.094
  296   HD13  LEU  41          HD13      LEU  41  13.677   8.368  -6.535
  297   HD21  LEU  41          HD21      LEU  41  11.154  10.900  -5.403
  298   HD22  LEU  41          HD22      LEU  41  12.561  11.134  -4.366
  299   HD23  LEU  41          HD23      LEU  41  11.133  10.311  -3.740
  300    H    SER  42           HN       SER  42  10.321   5.450  -4.336
  301    HA   SER  42           HA       SER  42   8.275   4.812  -6.177
  302    HB2  SER  42           HB2      SER  42   9.664   3.043  -4.169
  303    HB3  SER  42           HB1      SER  42   8.799   2.521  -5.616
  304    HG   SER  42           HG       SER  42  10.981   2.579  -6.025
  305    H    MET  43           HN       MET  43   8.465   5.203  -2.727
  306    HA   MET  43           HA       MET  43   6.234   3.811  -1.830
  307    HB2  MET  43           HB2      MET  43   7.815   4.823  -0.335
  308    HB3  MET  43           HB1      MET  43   7.369   6.429  -0.894
  309    HG2  MET  43           HG2      MET  43   6.404   5.796   1.284
  310    HG3  MET  43           HG1      MET  43   5.215   6.253   0.050
  311    HE1  MET  43           HE1      MET  43   7.023   3.112   1.682
  312    HE2  MET  43           HE2      MET  43   7.166   3.040  -0.062
  313    HE3  MET  43           HE3      MET  43   6.176   1.839   0.782
  314    H    VAL  44           HN       VAL  44   6.552   7.147  -2.966
  315    HA   VAL  44           HA       VAL  44   3.891   7.916  -2.631
  316    HB   VAL  44           HB       VAL  44   5.891   9.000  -4.638
  317   HG11  VAL  44          HG11      VAL  44   3.628   9.778  -5.066
  318   HG12  VAL  44          HG12      VAL  44   4.632  11.095  -4.460
  319   HG13  VAL  44          HG13      VAL  44   3.475  10.304  -3.389
  320   HG21  VAL  44          HG21      VAL  44   6.853   8.993  -2.402
  321   HG22  VAL  44          HG22      VAL  44   5.430   9.813  -1.767
  322   HG23  VAL  44          HG23      VAL  44   6.489  10.643  -2.909
  323    H    GLU  45           HN       GLU  45   5.554   6.189  -5.254
  324    HA   GLU  45           HA       GLU  45   3.453   6.598  -7.094
  325    HB2  GLU  45           HB2      GLU  45   5.675   4.548  -7.134
  326    HB3  GLU  45           HB1      GLU  45   4.677   5.036  -8.497
  327    HG2  GLU  45           HG2      GLU  45   6.732   6.693  -7.052
  328    HG3  GLU  45           HG1      GLU  45   6.814   6.076  -8.702
  329    H    VAL  46           HN       VAL  46   4.371   4.176  -4.751
  330    HA   VAL  46           HA       VAL  46   2.452   2.219  -5.446
  331    HB   VAL  46           HB       VAL  46   3.663   2.805  -2.696
  332   HG11  VAL  46          HG11      VAL  46   1.650   1.431  -2.509
  333   HG12  VAL  46          HG12      VAL  46   3.093   0.491  -2.135
  334   HG13  VAL  46          HG13      VAL  46   2.300   0.305  -3.700
  335   HG21  VAL  46          HG21      VAL  46   4.506   0.823  -4.808
  336   HG22  VAL  46          HG22      VAL  46   5.218   0.980  -3.203
  337   HG23  VAL  46          HG23      VAL  46   5.366   2.297  -4.366
  338    H    VAL  47           HN       VAL  47   2.403   4.910  -3.143
  339    HA   VAL  47           HA       VAL  47  -0.186   4.713  -2.148
  340    HB   VAL  47           HB       VAL  47   1.362   7.261  -2.800
  341   HG11  VAL  47          HG11      VAL  47  -0.018   8.342  -1.099
  342   HG12  VAL  47          HG12      VAL  47  -0.938   6.851  -0.891
  343   HG13  VAL  47          HG13      VAL  47  -1.013   7.723  -2.416
  344   HG21  VAL  47          HG21      VAL  47   1.219   5.659  -0.254
  345   HG22  VAL  47          HG22      VAL  47   2.050   7.201  -0.455
  346   HG23  VAL  47          HG23      VAL  47   2.607   5.776  -1.335
  347    H    VAL  48           HN       VAL  48   0.814   6.877  -4.789
  348    HA   VAL  48           HA       VAL  48  -1.613   7.525  -5.905
  349    HB   VAL  48           HB       VAL  48   1.027   7.024  -7.319
  350   HG11  VAL  48          HG11      VAL  48   0.159   8.375  -9.165
  351   HG12  VAL  48          HG12      VAL  48  -1.416   8.447  -8.373
  352   HG13  VAL  48          HG13      VAL  48  -0.791   6.904  -8.952
  353   HG21  VAL  48          HG21      VAL  48   1.082   8.775  -5.632
  354   HG22  VAL  48          HG22      VAL  48  -0.315   9.555  -6.377
  355   HG23  VAL  48          HG23      VAL  48   1.213   9.466  -7.251
  356    H    ALA  49           HN       ALA  49   0.258   4.565  -6.629
  357    HA   ALA  49           HA       ALA  49  -1.482   3.638  -8.646
  358    HB1  ALA  49           HB1      ALA  49   0.387   2.008  -6.939
  359    HB2  ALA  49           HB2      ALA  49   0.827   2.845  -8.429
  360    HB3  ALA  49           HB3      ALA  49  -0.330   1.513  -8.472
  361    H    ALA  50           HN       ALA  50  -1.578   3.324  -5.169
  362    HA   ALA  50           HA       ALA  50  -3.482   1.229  -5.050
  363    HB1  ALA  50           HB1      ALA  50  -3.906   1.981  -2.763
  364    HB2  ALA  50           HB2      ALA  50  -3.023   3.476  -3.084
  365    HB3  ALA  50           HB3      ALA  50  -2.175   1.933  -3.090
  366    H    GLU  51           HN       GLU  51  -3.730   4.724  -5.351
  367    HA   GLU  51           HA       GLU  51  -6.510   4.993  -5.096
  368    HB2  GLU  51           HB2      GLU  51  -4.665   6.587  -6.860
  369    HB3  GLU  51           HB1      GLU  51  -6.232   7.074  -6.246
  370    HG2  GLU  51           HG2      GLU  51  -5.314   7.088  -3.982
  371    HG3  GLU  51           HG1      GLU  51  -3.734   6.648  -4.642
  372    H    GLU  52           HN       GLU  52  -4.378   4.330  -7.736
  373    HA   GLU  52           HA       GLU  52  -6.356   4.497  -9.774
  374    HB2  GLU  52           HB2      GLU  52  -3.941   5.009 -10.036
  375    HB3  GLU  52           HB1      GLU  52  -3.599   3.297  -9.843
  376    HG2  GLU  52           HG2      GLU  52  -3.569   3.995 -12.181
  377    HG3  GLU  52           HG1      GLU  52  -4.835   2.807 -11.867
  378    H    ARG  53           HN       ARG  53  -5.112   1.969  -7.746
  379    HA   ARG  53           HA       ARG  53  -6.128  -0.153  -9.441
  380    HB2  ARG  53           HB2      ARG  53  -3.996  -0.364  -8.145
  381    HB3  ARG  53           HB1      ARG  53  -4.942  -0.332  -6.668
  382    HG2  ARG  53           HG2      ARG  53  -4.532  -2.593  -7.000
  383    HG3  ARG  53           HG1      ARG  53  -6.157  -2.384  -7.648
  384    HD2  ARG  53           HD2      ARG  53  -3.597  -2.493  -9.253
  385    HD3  ARG  53           HD1      ARG  53  -4.766  -3.792  -9.098
  386    HE   ARG  53           HE       ARG  53  -6.317  -1.951 -10.173
  387   HH11  ARG  53          HH11      ARG  53  -2.966  -2.777 -11.042
  388   HH12  ARG  53          HH12      ARG  53  -3.122  -2.318 -12.663
  389   HH21  ARG  53          HH21      ARG  53  -6.537  -1.315 -12.320
  390   HH22  ARG  53          HH22      ARG  53  -5.240  -1.379 -13.445
  391    H    PHE  54           HN       PHE  54  -6.825   1.236  -6.236
  392    HA   PHE  54           HA       PHE  54  -9.085  -0.597  -5.964
  393    HB2  PHE  54           HB2      PHE  54  -7.882   1.301  -3.966
  394    HB3  PHE  54           HB1      PHE  54  -9.108   0.082  -3.629
  395    HD1  PHE  54           HD1      PHE  54  -8.047  -2.275  -5.013
  396    HD2  PHE  54           HD2      PHE  54  -6.023   0.733  -2.791
  397    HE1  PHE  54           HE1      PHE  54  -6.250  -3.863  -4.497
  398    HE2  PHE  54           HE2      PHE  54  -4.231  -0.864  -2.257
  399    HZ   PHE  54           HZ       PHE  54  -4.339  -3.149  -3.129
  400    H    ASP  55           HN       ASP  55  -8.503   2.530  -6.971
  401    HA   ASP  55           HA       ASP  55  -9.766   4.220  -7.686
  402    HB2  ASP  55           HB2      ASP  55 -11.394   2.414  -8.401
  403    HB3  ASP  55           HB1      ASP  55 -12.248   2.669  -6.885
  404    H    VAL  56           HN       VAL  56  -9.210   3.566  -4.749
  405    HA   VAL  56           HA       VAL  56 -10.916   5.583  -3.511
  406    HB   VAL  56           HB       VAL  56 -10.780   3.488  -2.270
  407   HG11  VAL  56          HG11      VAL  56  -8.681   2.713  -1.270
  408   HG12  VAL  56          HG12      VAL  56  -7.810   3.921  -2.223
  409   HG13  VAL  56          HG13      VAL  56  -8.691   2.622  -3.031
  410   HG21  VAL  56          HG21      VAL  56 -10.996   5.478  -0.968
  411   HG22  VAL  56          HG22      VAL  56  -9.243   5.684  -0.919
  412   HG23  VAL  56          HG23      VAL  56 -10.000   4.311  -0.102
  413    H    LYS  57           HN       LYS  57 -10.165   7.498  -2.949
  414    HA   LYS  57           HA       LYS  57  -7.558   8.316  -3.863
  415    HB2  LYS  57           HB2      LYS  57  -9.812   9.777  -2.513
  416    HB3  LYS  57           HB1      LYS  57  -8.319  10.561  -2.989
  417    HG2  LYS  57           HG2      LYS  57 -10.236   9.147  -4.848
  418    HG3  LYS  57           HG1      LYS  57 -10.121  10.896  -4.627
  419    HD2  LYS  57           HD2      LYS  57  -7.831   9.160  -5.547
  420    HD3  LYS  57           HD1      LYS  57  -8.921  10.012  -6.643
  421    HE2  LYS  57           HE2      LYS  57  -8.235  12.136  -5.785
  422    HE3  LYS  57           HE1      LYS  57  -7.311  11.386  -4.491
  423    HZ1  LYS  57           HZ1      LYS  57  -6.704  10.991  -7.352
  424    HZ2  LYS  57           HZ2      LYS  57  -5.747  10.587  -5.993
  425    HZ3  LYS  57           HZ3      LYS  57  -6.031  12.218  -6.403
  426    H    ILE  58           HN       ILE  58  -5.851   7.994  -2.781
  427    HA   ILE  58           HA       ILE  58  -5.854   8.423   0.124
  428    HB   ILE  58           HB       ILE  58  -4.110   6.368  -1.280
  429   HG12  ILE  58          HG12      ILE  58  -6.605   5.792   0.338
  430   HG13  ILE  58          HG11      ILE  58  -6.523   5.715  -1.418
  431   HG21  ILE  58          HG21      ILE  58  -3.237   7.231   0.844
  432   HG22  ILE  58          HG22      ILE  58  -3.733   5.543   1.028
  433   HG23  ILE  58          HG23      ILE  58  -4.756   6.824   1.645
  434   HD11  ILE  58          HD11      ILE  58  -4.861   3.945  -1.261
  435   HD12  ILE  58          HD12      ILE  58  -6.352   3.516  -0.415
  436   HD13  ILE  58          HD13      ILE  58  -4.936   4.031   0.498
  437    HA   PRO  59           HA       PRO  59  -2.590  10.906  -1.770
  438    HB2  PRO  59           HB2      PRO  59  -2.887  13.092  -0.238
  439    HB3  PRO  59           HB1      PRO  59  -3.966  12.750  -1.594
  440    HG2  PRO  59           HG2      PRO  59  -4.448  12.484   1.319
  441    HG3  PRO  59           HG1      PRO  59  -5.586  12.855   0.014
  442    HD2  PRO  59           HD2      PRO  59  -5.187  10.349   1.257
  443    HD3  PRO  59           HD1      PRO  59  -6.133  10.668  -0.210
  444    H    ASP  60           HN       ASP  60  -0.556  11.576  -0.990
  445    HA   ASP  60           HA       ASP  60   0.746  10.266   1.035
  446    HB2  ASP  60           HB2      ASP  60   2.124  11.428  -0.465
  447    HB3  ASP  60           HB1      ASP  60   1.251  12.936  -0.244
  448    H    ASP  61           HN       ASP  61  -1.154  13.128   1.319
  449    HA   ASP  61           HA       ASP  61  -0.577  14.048   3.888
  450    HB2  ASP  61           HB2      ASP  61  -2.142  15.162   2.322
  451    HB3  ASP  61           HB1      ASP  61  -3.320  13.888   2.617
  452    H    ASP  62           HN       ASP  62  -2.943  11.597   2.945
  453    HA   ASP  62           HA       ASP  62  -3.574  10.902   5.721
  454    HB2  ASP  62           HB2      ASP  62  -4.577   9.766   3.100
  455    HB3  ASP  62           HB1      ASP  62  -5.110   9.235   4.686
  456    H    VAL  63           HN       VAL  63  -1.726   9.684   3.127
  457    HA   VAL  63           HA       VAL  63  -1.588   7.041   3.955
  458    HB   VAL  63           HB       VAL  63  -0.736   8.293   1.782
  459   HG11  VAL  63          HG11      VAL  63   1.129   9.450   2.714
  460   HG12  VAL  63          HG12      VAL  63   1.686   8.258   1.538
  461   HG13  VAL  63          HG13      VAL  63   1.839   7.931   3.265
  462   HG21  VAL  63          HG21      VAL  63   0.406   5.726   2.802
  463   HG22  VAL  63          HG22      VAL  63   0.423   6.273   1.118
  464   HG23  VAL  63          HG23      VAL  63  -1.113   5.960   1.930
  465    H    LYS  64           HN       LYS  64  -0.100   9.801   5.256
  466    HA   LYS  64           HA       LYS  64   2.106   8.624   6.464
  467    HB2  LYS  64           HB2      LYS  64   0.657  11.109   7.343
  468    HB3  LYS  64           HB1      LYS  64   2.276  10.639   7.832
  469    HG2  LYS  64           HG2      LYS  64   3.027  10.826   5.510
  470    HG3  LYS  64           HG1      LYS  64   1.401  11.322   5.036
  471    HD2  LYS  64           HD2      LYS  64   1.627  13.187   6.724
  472    HD3  LYS  64           HD1      LYS  64   3.335  12.761   6.824
  473    HE2  LYS  64           HE2      LYS  64   1.846  13.636   4.353
  474    HE3  LYS  64           HE1      LYS  64   2.965  14.614   5.288
  475    HZ1  LYS  64           HZ1      LYS  64   4.725  12.909   4.660
  476    HZ2  LYS  64           HZ2      LYS  64   4.089  13.881   3.455
  477    HZ3  LYS  64           HZ3      LYS  64   3.603  12.300   3.510
  478    H    ASN  65           HN       ASN  65  -1.084   8.166   7.151
  479    HA   ASN  65           HA       ASN  65  -0.758   7.744  10.052
  480    HB2  ASN  65           HB2      ASN  65  -3.244   7.774   8.321
  481    HB3  ASN  65           HB1      ASN  65  -3.229   7.476  10.051
  482   HD21  ASN  65          HD21      ASN  65  -2.856   9.824   7.548
  483   HD22  ASN  65          HD22      ASN  65  -2.943  11.227   8.559
  484    H    LEU  66           HN       LEU  66  -0.249   6.020   7.349
  485    HA   LEU  66           HA       LEU  66  -1.775   3.688   8.218
  486    HB2  LEU  66           HB2      LEU  66  -0.295   4.099   5.631
  487    HB3  LEU  66           HB1      LEU  66  -1.351   2.758   6.049
  488    HG   LEU  66           HG       LEU  66  -2.229   5.637   5.750
  489   HD11  LEU  66          HD11      LEU  66  -3.385   4.880   3.737
  490   HD12  LEU  66          HD12      LEU  66  -2.639   3.291   3.915
  491   HD13  LEU  66          HD13      LEU  66  -1.635   4.708   3.608
  492   HD21  LEU  66          HD21      LEU  66  -3.611   4.432   7.357
  493   HD22  LEU  66          HD22      LEU  66  -3.844   3.130   6.187
  494   HD23  LEU  66          HD23      LEU  66  -4.508   4.719   5.864
  495    H    LYS  67           HN       LYS  67   1.451   4.120   6.788
  496    HA   LYS  67           HA       LYS  67   3.332   3.176   6.944
  497    HB2  LYS  67           HB2      LYS  67   4.432   2.786   9.208
  498    HB3  LYS  67           HB1      LYS  67   3.879   4.393   8.819
  499    HG2  LYS  67           HG2      LYS  67   3.399   4.017  11.087
  500    HG3  LYS  67           HG1      LYS  67   1.867   3.929  10.231
  501    HD2  LYS  67           HD2      LYS  67   2.005   1.466  10.306
  502    HD3  LYS  67           HD1      LYS  67   3.517   1.601  11.214
  503    HE2  LYS  67           HE2      LYS  67   0.864   2.728  12.062
  504    HE3  LYS  67           HE1      LYS  67   1.557   1.224  12.666
  505    HZ1  LYS  67           HZ1      LYS  67   2.866   3.902  12.984
  506    HZ2  LYS  67           HZ2      LYS  67   3.352   2.431  13.677
  507    HZ3  LYS  67           HZ3      LYS  67   1.923   3.155  14.156
  508    H    THR  68           HN       THR  68   0.976   1.039   7.897
  509    HA   THR  68           HA       THR  68   2.804  -1.034   7.001
  510    HB   THR  68           HB       THR  68   1.106  -2.524   8.466
  511    HG1  THR  68           HG1      THR  68   0.001  -1.191   9.779
  512   HG21  THR  68          HG21      THR  68   2.841  -2.567  10.218
  513   HG22  THR  68          HG22      THR  68   3.560  -1.108   9.536
  514   HG23  THR  68          HG23      THR  68   3.550  -2.604   8.603
  515    H    VAL  69           HN       VAL  69   1.813  -2.863   5.967
  516    HA   VAL  69           HA       VAL  69   0.176  -2.134   3.820
  517    HB   VAL  69           HB       VAL  69  -0.088  -4.704   3.511
  518   HG11  VAL  69          HG11      VAL  69   1.682  -3.366   2.384
  519   HG12  VAL  69          HG12      VAL  69   2.265  -4.962   2.858
  520   HG13  VAL  69          HG13      VAL  69   2.697  -3.546   3.815
  521   HG21  VAL  69          HG21      VAL  69   1.462  -6.002   4.819
  522   HG22  VAL  69          HG22      VAL  69   0.172  -5.298   5.784
  523   HG23  VAL  69          HG23      VAL  69   1.791  -4.589   5.818
  524    H    GLY  70           HN       GLY  70  -0.728  -4.126   6.636
  525    HA2  GLY  70           HA2      GLY  70  -3.419  -4.474   5.978
  526    HA3  GLY  70           HA1      GLY  70  -2.748  -4.576   7.598
  527    H    ASP  71           HN       ASP  71  -1.797  -1.885   7.635
  528    HA   ASP  71           HA       ASP  71  -4.194  -0.606   8.487
  529    HB2  ASP  71           HB2      ASP  71  -1.354   0.374   8.323
  530    HB3  ASP  71           HB1      ASP  71  -2.682   1.361   8.930
  531    H    ALA  72           HN       ALA  72  -2.018  -0.219   5.755
  532    HA   ALA  72           HA       ALA  72  -3.295   1.947   4.526
  533    HB1  ALA  72           HB1      ALA  72  -2.369   1.063   2.410
  534    HB2  ALA  72           HB2      ALA  72  -1.991  -0.458   3.218
  535    HB3  ALA  72           HB3      ALA  72  -1.165   1.024   3.700
  536    H    THR  73           HN       THR  73  -3.735  -1.528   3.895
  537    HA   THR  73           HA       THR  73  -6.006  -1.696   2.513
  538    HB   THR  73           HB       THR  73  -5.087  -3.335   4.862
  539    HG1  THR  73           HG1      THR  73  -3.484  -3.413   3.445
  540   HG21  THR  73          HG21      THR  73  -6.293  -5.195   3.788
  541   HG22  THR  73          HG22      THR  73  -6.896  -4.082   2.555
  542   HG23  THR  73          HG23      THR  73  -7.397  -3.892   4.233
  543    H    LYS  74           HN       LYS  74  -5.781  -1.239   6.061
  544    HA   LYS  74           HA       LYS  74  -8.484  -1.519   6.694
  545    HB2  LYS  74           HB2      LYS  74  -6.425  -1.379   8.234
  546    HB3  LYS  74           HB1      LYS  74  -6.616   0.364   8.123
  547    HG2  LYS  74           HG2      LYS  74  -7.645  -0.421  10.139
  548    HG3  LYS  74           HG1      LYS  74  -8.912   0.115   9.027
  549    HD2  LYS  74           HD2      LYS  74  -9.343  -2.163   8.353
  550    HD3  LYS  74           HD1      LYS  74  -8.007  -2.740   9.347
  551    HE2  LYS  74           HE2      LYS  74  -9.206  -1.905  11.350
  552    HE3  LYS  74           HE1      LYS  74 -10.561  -1.463  10.307
  553    HZ1  LYS  74           HZ1      LYS  74 -10.846  -3.752   9.695
  554    HZ2  LYS  74           HZ2      LYS  74 -10.809  -3.689  11.389
  555    HZ3  LYS  74           HZ3      LYS  74  -9.447  -4.189  10.523
  556    H    TYR  75           HN       TYR  75  -6.640   1.275   5.608
  557    HA   TYR  75           HA       TYR  75  -8.705   3.213   6.013
  558    HB2  TYR  75           HB2      TYR  75  -6.304   3.817   5.930
  559    HB3  TYR  75           HB1      TYR  75  -6.226   3.262   4.267
  560    HD1  TYR  75           HD1      TYR  75  -7.330   5.944   6.503
  561    HD2  TYR  75           HD2      TYR  75  -7.147   4.642   2.449
  562    HE1  TYR  75           HE1      TYR  75  -7.845   8.225   5.747
  563    HE2  TYR  75           HE2      TYR  75  -7.665   6.908   1.685
  564    HH   TYR  75           HH       TYR  75  -7.610   9.614   3.825
  565    H    ILE  76           HN       ILE  76  -7.386   1.404   3.358
  566    HA   ILE  76           HA       ILE  76  -8.966   2.300   1.272
  567    HB   ILE  76           HB       ILE  76  -7.676  -0.421   1.677
  568   HG12  ILE  76          HG12      ILE  76  -6.652   2.027   0.229
  569   HG13  ILE  76          HG11      ILE  76  -6.158   1.536   1.842
  570   HG21  ILE  76          HG21      ILE  76  -8.573   0.936  -0.874
  571   HG22  ILE  76          HG22      ILE  76  -9.382  -0.409  -0.087
  572   HG23  ILE  76          HG23      ILE  76  -7.762  -0.629  -0.754
  573   HD11  ILE  76          HD11      ILE  76  -4.511   0.921   0.172
  574   HD12  ILE  76          HD12      ILE  76  -5.725  -0.034  -0.684
  575   HD13  ILE  76          HD13      ILE  76  -5.209  -0.508   0.933
  576    H    LEU  77           HN       LEU  77  -9.386  -0.538   3.380
  577    HA   LEU  77           HA       LEU  77 -11.817  -1.446   2.272
  578    HB2  LEU  77           HB2      LEU  77 -10.314  -2.723   3.801
  579    HB3  LEU  77           HB1      LEU  77 -10.890  -1.744   5.126
  580    HG   LEU  77           HG       LEU  77 -11.813  -4.076   4.873
  581   HD11  LEU  77          HD11      LEU  77 -14.108  -3.478   5.560
  582   HD12  LEU  77          HD12      LEU  77 -13.812  -1.820   5.032
  583   HD13  LEU  77          HD13      LEU  77 -12.888  -2.497   6.373
  584   HD21  LEU  77          HD21      LEU  77 -12.201  -4.121   2.502
  585   HD22  LEU  77          HD22      LEU  77 -13.372  -2.809   2.633
  586   HD23  LEU  77          HD23      LEU  77 -13.728  -4.379   3.349
  587    H    ASP  78           HN       ASP  78 -11.159   0.959   4.609
  588    HA   ASP  78           HA       ASP  78 -13.948   1.282   5.373
  589    HB2  ASP  78           HB2      ASP  78 -12.306   1.799   7.052
  590    HB3  ASP  78           HB1      ASP  78 -11.525   2.968   5.992
  591    H    HIS  79           HN       HIS  79 -11.672   2.891   3.353
  592    HA   HIS  79           HA       HIS  79 -13.529   4.969   2.587
  593    HB2  HIS  79           HB2      HIS  79 -10.644   4.491   2.367
  594    HB3  HIS  79           HB1      HIS  79 -11.294   5.546   1.150
  595    HD1  HIS  79           HD1      HIS  79 -11.425   7.942   1.869
  596    HD2  HIS  79           HD2      HIS  79 -11.191   5.360   5.107
  597    HE1  HIS  79           HE1      HIS  79 -11.269   9.416   3.901
  598    HE2  HIS  79           HE2      HIS  79 -11.405   7.827   5.834
  599    H    GLN  80           HN       GLN  80 -13.208   1.900   1.620
  600    HA   GLN  80           HA       GLN  80 -12.913   1.471  -0.933
  601    HB2  GLN  80           HB2      GLN  80 -15.061   0.616   0.868
  602    HB3  GLN  80           HB1      GLN  80 -15.090   0.078  -0.812
  603    HG2  GLN  80           HG2      GLN  80 -13.027  -0.417   1.311
  604    HG3  GLN  80           HG1      GLN  80 -14.097  -1.592   0.555
  605   HE21  GLN  80          HE21      GLN  80 -11.287  -1.635   0.751
  606   HE22  GLN  80          HE22      GLN  80 -10.666  -1.678  -0.863
  607    H    ALA  81           HN       ALA  81 -13.491   2.167  -2.776
  608    HA   ALA  81           HA       ALA  81 -15.989   3.593  -3.061
  609    HB1  ALA  81           HB1      ALA  81 -15.042   4.299  -5.248
  610    HB2  ALA  81           HB2      ALA  81 -13.587   3.371  -4.888
  611    HB3  ALA  81           HB3      ALA  81 -14.011   4.765  -3.894
  612    H2   SHW 101           H2A      SHW 101   2.109   5.800   3.837
  613    H2A  SHW 101           H2B      SHW 101   3.430   4.862   3.174
  614    H3   SHW 101           H3A      SHW 101   1.683   3.886   5.445
  615    HO3  SHW 101           HO3      SHW 101   3.954   3.087   4.966
  616    H4   SHW 101           H4A      SHW 101   0.311   4.029   3.501
  617    H4A  SHW 101           H4B      SHW 101   0.682   2.349   3.828
  618    H5   SHW 101           H5A      SHW 101   2.307   2.320   2.043
  619    H5A  SHW 101           H5B      SHW 101   1.997   4.033   1.721
  620    H6   SHW 101           H6A      SHW 101  -0.347   3.503   1.261
  621    H6A  SHW 101           H6B      SHW 101  -0.013   1.794   1.553
  622    H7   SHW 101           H7A      SHW 101   1.544   1.763  -0.311
  623    H7A  SHW 101           H7B      SHW 101   1.227   3.487  -0.600
  624    H8   SHW 101           H8C      SHW 101  -0.096   2.066  -2.077
  625    H8A  SHW 101           H8A      SHW 101  -1.131   2.962  -0.968
  626    H8B  SHW 101           H8B      SHW 101  -0.795   1.256  -0.677
  627    H28  SHW 101          H28A      SHW 101  10.460  12.007  -0.469
  628   H28A  SHW 101          H28B      SHW 101   9.592  10.486  -0.279
  629    H30  SHW 101          H30A      SHW 101   9.594  14.050   0.369
  630   H30A  SHW 101          H30B      SHW 101   9.764  13.388   1.994
  631   H30B  SHW 101          H30C      SHW 101   8.227  14.089   1.483
  632    H31  SHW 101          H31A      SHW 101   6.838  12.882  -0.262
  633   H31A  SHW 101          H31B      SHW 101   7.447  11.376  -0.942
  634   H31B  SHW 101          H31C      SHW 101   8.248  12.901  -1.321
  635    H32  SHW 101          H32A      SHW 101   8.403  11.430   2.737
  636   HO33  SHW 101          H33A      SHW 101   5.934  11.308   1.744
  637   HN36  SHW 101          H36A      SHW 101   9.399   9.473   1.913
  638    H37  SHW 101          H37A      SHW 101   7.429   7.392   1.131
  639   H37A  SHW 101          H37B      SHW 101   9.005   7.514   0.396
  640    H38  SHW 101          H38A      SHW 101   9.141   5.769   1.911
  641   H38A  SHW 101          H38B      SHW 101  10.042   7.110   2.673
  642   HN41  SHW 101          H41A      SHW 101   6.966   7.966   2.955
  643    H42  SHW 101          H42A      SHW 101   5.994   6.201   4.941
  644   H42A  SHW 101          H42B      SHW 101   6.539   7.760   5.589
  645    H43  SHW 101          H43A      SHW 101   4.566   7.395   3.330
  646   H43A  SHW 101          H43B      SHW 101   4.862   8.901   4.245
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1 -17.503  -2.827  -1.663
    2    H2   ALA   1           HT2      ALA   1 -18.037  -2.306  -0.138
    3    H3   ALA   1           HT3      ALA   1 -17.744  -3.975  -0.440
    4    HA   ALA   1           HA       ALA   1 -15.724  -1.831  -0.481
    5    HB1  ALA   1           HB1      ALA   1 -14.834  -2.920   1.523
    6    HB2  ALA   1           HB2      ALA   1 -16.173  -4.069   1.503
    7    HB3  ALA   1           HB3      ALA   1 -16.484  -2.358   1.799
    8    H    ALA   2           HN       ALA   2 -13.514  -3.180  -0.156
    9    HA   ALA   2           HA       ALA   2 -13.588  -5.191  -2.271
   10    HB1  ALA   2           HB1      ALA   2 -11.309  -3.356  -1.462
   11    HB2  ALA   2           HB2      ALA   2 -12.294  -3.187  -2.913
   12    HB3  ALA   2           HB3      ALA   2 -11.244  -4.592  -2.717
   13    H    THR   3           HN       THR   3 -12.435  -7.110  -1.825
   14    HA   THR   3           HA       THR   3 -12.566  -7.976   0.781
   15    HB   THR   3           HB       THR   3 -10.759  -9.267  -1.168
   16    HG1  THR   3           HG1      THR   3 -12.432  -9.665  -2.595
   17   HG21  THR   3          HG21      THR   3 -11.592 -10.344   0.847
   18   HG22  THR   3          HG22      THR   3 -12.244 -11.156  -0.597
   19   HG23  THR   3          HG23      THR   3 -13.238 -10.005   0.325
   20    H    GLN   4           HN       GLN   4 -11.092  -7.653   2.376
   21    HA   GLN   4           HA       GLN   4  -8.958  -5.912   2.237
   22    HB2  GLN   4           HB2      GLN   4  -9.399  -8.140   4.205
   23    HB3  GLN   4           HB1      GLN   4  -8.222  -6.854   4.410
   24    HG2  GLN   4           HG2      GLN   4 -10.036  -5.204   4.353
   25    HG3  GLN   4           HG1      GLN   4 -11.175  -6.520   4.150
   26   HE21  GLN   4          HE21      GLN   4  -8.922  -5.058   6.418
   27   HE22  GLN   4          HE22      GLN   4  -9.583  -5.820   7.801
   28    H    GLU   5           HN       GLU   5  -9.014  -9.320   1.769
   29    HA   GLU   5           HA       GLU   5  -6.158  -9.835   1.776
   30    HB2  GLU   5           HB2      GLU   5  -8.416 -11.443   0.561
   31    HB3  GLU   5           HB1      GLU   5  -6.768 -12.004   0.798
   32    HG2  GLU   5           HG2      GLU   5  -8.676 -11.216   2.984
   33    HG3  GLU   5           HG1      GLU   5  -8.308 -12.868   2.485
   34    H    GLU   6           HN       GLU   6  -8.528  -8.921  -0.540
   35    HA   GLU   6           HA       GLU   6  -6.868  -9.320  -2.823
   36    HB2  GLU   6           HB2      GLU   6  -9.301  -9.585  -2.936
   37    HB3  GLU   6           HB1      GLU   6  -9.516  -7.921  -2.432
   38    HG2  GLU   6           HG2      GLU   6  -8.601  -7.133  -4.500
   39    HG3  GLU   6           HG1      GLU   6  -8.209  -8.783  -4.993
   40    H    ILE   7           HN       ILE   7  -7.746  -6.783  -0.628
   41    HA   ILE   7           HA       ILE   7  -6.634  -4.615  -2.041
   42    HB   ILE   7           HB       ILE   7  -6.890  -4.994   0.946
   43   HG12  ILE   7          HG12      ILE   7  -8.901  -3.936  -1.072
   44   HG13  ILE   7          HG11      ILE   7  -9.023  -5.350  -0.075
   45   HG21  ILE   7          HG21      ILE   7  -6.695  -2.503  -0.761
   46   HG22  ILE   7          HG22      ILE   7  -5.441  -3.138   0.304
   47   HG23  ILE   7          HG23      ILE   7  -6.947  -2.522   0.984
   48   HD11  ILE   7          HD11      ILE   7  -8.968  -2.547   1.000
   49   HD12  ILE   7          HD12      ILE   7  -9.175  -4.031   1.935
   50   HD13  ILE   7          HD13      ILE   7 -10.410  -3.538   0.776
   51    H    VAL   8           HN       VAL   8  -5.392  -6.530   0.712
   52    HA   VAL   8           HA       VAL   8  -2.779  -5.590   0.630
   53    HB   VAL   8           HB       VAL   8  -3.839  -8.275   1.611
   54   HG11  VAL   8          HG11      VAL   8  -1.751  -8.518   2.851
   55   HG12  VAL   8          HG12      VAL   8  -1.110  -7.073   2.052
   56   HG13  VAL   8          HG13      VAL   8  -1.496  -8.517   1.106
   57   HG21  VAL   8          HG21      VAL   8  -3.025  -5.775   3.072
   58   HG22  VAL   8          HG22      VAL   8  -3.612  -7.257   3.827
   59   HG23  VAL   8          HG23      VAL   8  -4.673  -6.300   2.792
   60    H    ALA   9           HN       ALA   9  -4.272  -8.159  -1.286
   61    HA   ALA   9           HA       ALA   9  -1.881  -9.087  -2.438
   62    HB1  ALA   9           HB1      ALA   9  -3.924 -10.437  -2.488
   63    HB2  ALA   9           HB2      ALA   9  -3.312 -10.167  -4.122
   64    HB3  ALA   9           HB3      ALA   9  -4.692  -9.244  -3.536
   65    H    GLY  10           HN       GLY  10  -4.260  -6.644  -3.317
   66    HA2  GLY  10           HA2      GLY  10  -3.258  -5.952  -5.847
   67    HA3  GLY  10           HA1      GLY  10  -4.246  -4.934  -4.795
   68    H    LEU  11           HN       LEU  11  -2.722  -4.673  -2.629
   69    HA   LEU  11           HA       LEU  11  -0.851  -2.721  -3.287
   70    HB2  LEU  11           HB2      LEU  11  -1.128  -4.400  -0.807
   71    HB3  LEU  11           HB1      LEU  11  -0.024  -3.048  -0.945
   72    HG   LEU  11           HG       LEU  11  -3.033  -2.870  -1.161
   73   HD11  LEU  11          HD11      LEU  11  -2.306  -3.410   1.095
   74   HD12  LEU  11          HD12      LEU  11  -2.896  -1.751   1.006
   75   HD13  LEU  11          HD13      LEU  11  -1.162  -2.069   1.060
   76   HD21  LEU  11          HD21      LEU  11  -2.662  -0.453  -1.065
   77   HD22  LEU  11          HD22      LEU  11  -1.890  -1.165  -2.482
   78   HD23  LEU  11          HD23      LEU  11  -0.919  -0.717  -1.080
   79    H    ALA  12           HN       ALA  12  -0.415  -6.140  -2.530
   80    HA   ALA  12           HA       ALA  12   2.359  -6.272  -2.575
   81    HB1  ALA  12           HB1      ALA  12   0.420  -8.412  -3.424
   82    HB2  ALA  12           HB2      ALA  12   0.916  -8.071  -1.767
   83    HB3  ALA  12           HB3      ALA  12   2.097  -8.656  -2.934
   84    H    GLU  13           HN       GLU  13   0.066  -6.630  -5.234
   85    HA   GLU  13           HA       GLU  13   2.149  -7.160  -7.087
   86    HB2  GLU  13           HB2      GLU  13   0.484  -6.891  -8.915
   87    HB3  GLU  13           HB1      GLU  13  -0.047  -7.999  -7.667
   88    HG2  GLU  13           HG2      GLU  13  -1.460  -6.216  -6.736
   89    HG3  GLU  13           HG1      GLU  13  -0.954  -5.158  -8.048
   90    H    ILE  14           HN       ILE  14   0.580  -4.256  -6.161
   91    HA   ILE  14           HA       ILE  14   1.792  -2.435  -7.928
   92    HB   ILE  14           HB       ILE  14   0.895  -2.204  -5.048
   93   HG12  ILE  14          HG12      ILE  14  -0.412  -1.130  -7.536
   94   HG13  ILE  14          HG11      ILE  14  -0.758  -2.728  -6.878
   95   HG21  ILE  14          HG21      ILE  14   2.540  -0.466  -5.452
   96   HG22  ILE  14          HG22      ILE  14   0.921   0.231  -5.330
   97   HG23  ILE  14          HG23      ILE  14   1.681   0.030  -6.910
   98   HD11  ILE  14          HD11      ILE  14  -2.404  -1.099  -6.197
   99   HD12  ILE  14          HD12      ILE  14  -1.125  -0.136  -5.413
  100   HD13  ILE  14          HD13      ILE  14  -1.489  -1.781  -4.852
  101    H    VAL  15           HN       VAL  15   2.782  -3.661  -4.767
  102    HA   VAL  15           HA       VAL  15   5.197  -2.281  -4.555
  103    HB   VAL  15           HB       VAL  15   4.358  -4.920  -3.328
  104   HG11  VAL  15          HG11      VAL  15   6.157  -4.593  -1.699
  105   HG12  VAL  15          HG12      VAL  15   6.717  -3.179  -2.597
  106   HG13  VAL  15          HG13      VAL  15   6.802  -4.786  -3.331
  107   HG21  VAL  15          HG21      VAL  15   4.008  -3.579  -1.322
  108   HG22  VAL  15          HG22      VAL  15   3.012  -3.027  -2.670
  109   HG23  VAL  15          HG23      VAL  15   4.460  -2.130  -2.220
  110    H    ASN  16           HN       ASN  16   4.556  -5.513  -5.893
  111    HA   ASN  16           HA       ASN  16   7.277  -6.047  -6.462
  112    HB2  ASN  16           HB2      ASN  16   5.450  -7.761  -6.390
  113    HB3  ASN  16           HB1      ASN  16   4.894  -7.140  -7.941
  114   HD21  ASN  16          HD21      ASN  16   7.490  -8.762  -6.306
  115   HD22  ASN  16          HD22      ASN  16   8.207  -9.474  -7.716
  116    H    GLU  17           HN       GLU  17   4.803  -4.409  -8.238
  117    HA   GLU  17           HA       GLU  17   6.165  -4.083 -10.682
  118    HB2  GLU  17           HB2      GLU  17   3.787  -3.899 -10.558
  119    HB3  GLU  17           HB1      GLU  17   3.884  -2.657  -9.329
  120    HG2  GLU  17           HG2      GLU  17   3.177  -1.795 -11.469
  121    HG3  GLU  17           HG1      GLU  17   4.701  -1.070 -10.961
  122    H    ILE  18           HN       ILE  18   5.697  -1.849  -7.943
  123    HA   ILE  18           HA       ILE  18   7.461   0.108  -9.187
  124    HB   ILE  18           HB       ILE  18   5.842   0.293  -6.628
  125   HG12  ILE  18          HG12      ILE  18   5.280   1.489  -9.299
  126   HG13  ILE  18          HG11      ILE  18   4.583  -0.077  -8.834
  127   HG21  ILE  18          HG21      ILE  18   7.143   2.421  -8.336
  128   HG22  ILE  18          HG22      ILE  18   7.741   1.858  -6.777
  129   HG23  ILE  18          HG23      ILE  18   6.190   2.686  -6.871
  130   HD11  ILE  18          HD11      ILE  18   3.005   1.721  -8.547
  131   HD12  ILE  18          HD12      ILE  18   4.160   2.618  -7.562
  132   HD13  ILE  18          HD13      ILE  18   3.479   1.102  -6.967
  133    H    ALA  19           HN       ALA  19   7.294  -1.525  -6.002
  134    HA   ALA  19           HA       ALA  19   9.827  -0.505  -5.093
  135    HB1  ALA  19           HB1      ALA  19   9.521  -2.061  -3.236
  136    HB2  ALA  19           HB2      ALA  19   8.146  -2.790  -4.066
  137    HB3  ALA  19           HB3      ALA  19   8.064  -1.113  -3.528
  138    H    GLY  20           HN       GLY  20   8.597  -3.527  -6.380
  139    HA2  GLY  20           HA2      GLY  20   9.746  -5.078  -7.720
  140    HA3  GLY  20           HA1      GLY  20  11.268  -4.324  -7.255
  141    H    ILE  21           HN       ILE  21   8.687  -5.405  -5.129
  142    HA   ILE  21           HA       ILE  21  10.568  -7.315  -3.880
  143    HB   ILE  21           HB       ILE  21   8.314  -5.745  -2.574
  144   HG12  ILE  21          HG12      ILE  21  10.131  -4.222  -3.109
  145   HG13  ILE  21          HG11      ILE  21  10.068  -4.480  -1.374
  146   HG21  ILE  21          HG21      ILE  21  10.369  -7.537  -1.291
  147   HG22  ILE  21          HG22      ILE  21   8.650  -7.876  -1.462
  148   HG23  ILE  21          HG23      ILE  21   9.191  -6.550  -0.429
  149   HD11  ILE  21          HD11      ILE  21  12.016  -5.754  -3.286
  150   HD12  ILE  21          HD12      ILE  21  11.963  -6.024  -1.544
  151   HD13  ILE  21          HD13      ILE  21  12.361  -4.425  -2.178
  152    HA   PRO  22           HA       PRO  22   7.929 -10.890  -4.867
  153    HB2  PRO  22           HB2      PRO  22   7.993 -11.492  -2.054
  154    HB3  PRO  22           HB1      PRO  22   8.770 -12.347  -3.387
  155    HG2  PRO  22           HG2      PRO  22   9.891 -10.334  -1.553
  156    HG3  PRO  22           HG1      PRO  22  10.734 -11.523  -2.561
  157    HD2  PRO  22           HD2      PRO  22  10.847  -8.915  -3.162
  158    HD3  PRO  22           HD1      PRO  22  10.662 -10.158  -4.437
  159    H    VAL  23           HN       VAL  23   5.966 -10.995  -5.158
  160    HA   VAL  23           HA       VAL  23   3.992  -9.296  -3.959
  161    HB   VAL  23           HB       VAL  23   3.436 -11.843  -5.520
  162   HG11  VAL  23          HG11      VAL  23   1.409 -10.721  -6.287
  163   HG12  VAL  23          HG12      VAL  23   1.802  -9.333  -5.270
  164   HG13  VAL  23          HG13      VAL  23   1.456 -10.897  -4.531
  165   HG21  VAL  23          HG21      VAL  23   3.988  -9.113  -6.659
  166   HG22  VAL  23          HG22      VAL  23   3.428 -10.517  -7.574
  167   HG23  VAL  23          HG23      VAL  23   5.013 -10.541  -6.805
  168    H    GLU  24           HN       GLU  24   5.501 -11.913  -2.834
  169    HA   GLU  24           HA       GLU  24   3.231 -12.777  -1.350
  170    HB2  GLU  24           HB2      GLU  24   4.378 -14.935  -0.963
  171    HB3  GLU  24           HB1      GLU  24   4.069 -14.572  -2.654
  172    HG2  GLU  24           HG2      GLU  24   6.420 -13.814  -2.860
  173    HG3  GLU  24           HG1      GLU  24   6.680 -14.339  -1.194
  174    H    ASP  25           HN       ASP  25   6.041 -11.019  -1.023
  175    HA   ASP  25           HA       ASP  25   6.486 -11.784   1.773
  176    HB2  ASP  25           HB2      ASP  25   8.437 -11.214   0.164
  177    HB3  ASP  25           HB1      ASP  25   7.895  -9.548   0.301
  178    H    VAL  26           HN       VAL  26   4.813  -9.727  -0.155
  179    HA   VAL  26           HA       VAL  26   4.514  -7.489   1.664
  180    HB   VAL  26           HB       VAL  26   3.025  -8.060  -0.918
  181   HG11  VAL  26          HG11      VAL  26   3.501  -5.475   0.555
  182   HG12  VAL  26          HG12      VAL  26   1.978  -6.384   0.479
  183   HG13  VAL  26          HG13      VAL  26   2.658  -5.677  -0.989
  184   HG21  VAL  26          HG21      VAL  26   5.410  -8.034  -1.359
  185   HG22  VAL  26          HG22      VAL  26   5.564  -6.496  -0.511
  186   HG23  VAL  26          HG23      VAL  26   4.642  -6.585  -2.014
  187    H    LYS  27           HN       LYS  27   3.868  -9.363   3.130
  188    HA   LYS  27           HA       LYS  27   1.036  -9.926   3.107
  189    HB2  LYS  27           HB2      LYS  27   1.829 -11.083   5.302
  190    HB3  LYS  27           HB1      LYS  27   2.179 -11.857   3.753
  191    HG2  LYS  27           HG2      LYS  27   4.425 -10.807   3.865
  192    HG3  LYS  27           HG1      LYS  27   4.036 -10.226   5.488
  193    HD2  LYS  27           HD2      LYS  27   3.798 -12.503   6.277
  194    HD3  LYS  27           HD1      LYS  27   4.010 -13.121   4.637
  195    HE2  LYS  27           HE2      LYS  27   6.267 -12.150   4.589
  196    HE3  LYS  27           HE1      LYS  27   6.063 -11.628   6.263
  197    HZ1  LYS  27           HZ1      LYS  27   5.879 -13.955   6.922
  198    HZ2  LYS  27           HZ2      LYS  27   7.317 -13.743   6.043
  199    HZ3  LYS  27           HZ3      LYS  27   5.972 -14.439   5.317
  200    H    LEU  28           HN       LEU  28   0.163  -9.696   5.557
  201    HA   LEU  28           HA       LEU  28  -0.206  -6.878   5.566
  202    HB2  LEU  28           HB2      LEU  28  -1.882  -8.766   5.935
  203    HB3  LEU  28           HB1      LEU  28  -1.292  -8.788   7.579
  204    HG   LEU  28           HG       LEU  28  -2.235  -6.193   6.528
  205   HD11  LEU  28          HD11      LEU  28  -4.035  -8.486   7.251
  206   HD12  LEU  28          HD12      LEU  28  -3.821  -7.769   5.648
  207   HD13  LEU  28          HD13      LEU  28  -4.553  -6.818   6.951
  208   HD21  LEU  28          HD21      LEU  28  -3.156  -5.995   8.773
  209   HD22  LEU  28          HD22      LEU  28  -1.447  -6.422   8.844
  210   HD23  LEU  28          HD23      LEU  28  -2.680  -7.656   9.140
  211    H    ASP  29           HN       ASP  29   2.136  -8.518   6.898
  212    HA   ASP  29           HA       ASP  29   2.512  -7.255   9.488
  213    HB2  ASP  29           HB2      ASP  29   3.157  -9.530   9.133
  214    HB3  ASP  29           HB1      ASP  29   4.091  -9.066   7.710
  215    H    LYS  30           HN       LYS  30   3.072  -6.548   6.248
  216    HA   LYS  30           HA       LYS  30   5.712  -5.502   6.655
  217    HB2  LYS  30           HB2      LYS  30   4.063  -5.656   4.206
  218    HB3  LYS  30           HB1      LYS  30   5.754  -5.140   4.237
  219    HG2  LYS  30           HG2      LYS  30   4.586  -7.834   4.906
  220    HG3  LYS  30           HG1      LYS  30   5.759  -7.445   3.644
  221    HD2  LYS  30           HD2      LYS  30   7.465  -7.049   5.224
  222    HD3  LYS  30           HD1      LYS  30   6.340  -7.050   6.575
  223    HE2  LYS  30           HE2      LYS  30   5.871  -9.486   5.940
  224    HE3  LYS  30           HE1      LYS  30   7.305  -9.369   4.918
  225    HZ1  LYS  30           HZ1      LYS  30   7.177  -8.893   7.832
  226    HZ2  LYS  30           HZ2      LYS  30   8.561  -8.685   6.914
  227    HZ3  LYS  30           HZ3      LYS  30   7.898 -10.242   7.133
  228    H    SER  31           HN       SER  31   6.405  -3.609   7.020
  229    HA   SER  31           HA       SER  31   4.648  -1.357   7.187
  230    HB2  SER  31           HB2      SER  31   6.883  -0.541   8.156
  231    HB3  SER  31           HB1      SER  31   5.983  -1.747   9.083
  232    HG   SER  31           HG       SER  31   8.223  -2.259   8.803
  233    H    PHE  32           HN       PHE  32   5.819  -2.445   4.547
  234    HA   PHE  32           HA       PHE  32   6.753  -1.720   2.639
  235    HB2  PHE  32           HB2      PHE  32   5.703   0.802   3.795
  236    HB3  PHE  32           HB1      PHE  32   6.528   0.875   2.251
  237    HD1  PHE  32           HD1      PHE  32   5.595  -0.758   0.424
  238    HD2  PHE  32           HD2      PHE  32   3.523   0.245   3.987
  239    HE1  PHE  32           HE1      PHE  32   3.456  -1.418  -0.634
  240    HE2  PHE  32           HE2      PHE  32   1.392  -0.416   2.932
  241    HZ   PHE  32           HZ       PHE  32   1.445  -1.486   0.650
  242    H    THR  33           HN       THR  33   7.875   1.376   3.549
  243    HA   THR  33           HA       THR  33  10.554   0.630   3.080
  244    HB   THR  33           HB       THR  33  10.814   3.108   3.878
  245    HG1  THR  33           HG1      THR  33   8.639   3.060   4.759
  246   HG21  THR  33          HG21      THR  33   9.304   2.282   1.386
  247   HG22  THR  33          HG22      THR  33  11.038   2.267   1.577
  248   HG23  THR  33          HG23      THR  33  10.169   3.803   1.595
  249    H    ASP  34           HN       ASP  34  10.114  -0.931   4.974
  250    HA   ASP  34           HA       ASP  34  11.833  -0.141   7.098
  251    HB2  ASP  34           HB2      ASP  34   9.814   0.776   8.047
  252    HB3  ASP  34           HB1      ASP  34   8.907  -0.696   7.728
  253    H    ASP  35           HN       ASP  35   9.383  -2.485   6.100
  254    HA   ASP  35           HA       ASP  35  11.229  -4.627   6.948
  255    HB2  ASP  35           HB2      ASP  35   8.757  -4.470   7.763
  256    HB3  ASP  35           HB1      ASP  35   8.371  -5.124   6.182
  257    H    LEU  36           HN       LEU  36   9.184  -3.634   4.218
  258    HA   LEU  36           HA       LEU  36  10.085  -5.740   2.487
  259    HB2  LEU  36           HB2      LEU  36   8.692  -3.131   1.874
  260    HB3  LEU  36           HB1      LEU  36   8.987  -4.395   0.703
  261    HG   LEU  36           HG       LEU  36   7.238  -4.686   3.148
  262   HD11  LEU  36          HD11      LEU  36   6.293  -3.119   1.524
  263   HD12  LEU  36          HD12      LEU  36   5.382  -4.630   1.560
  264   HD13  LEU  36          HD13      LEU  36   6.512  -4.313   0.244
  265   HD21  LEU  36          HD21      LEU  36   6.516  -6.751   2.072
  266   HD22  LEU  36          HD22      LEU  36   8.247  -6.781   2.411
  267   HD23  LEU  36          HD23      LEU  36   7.675  -6.484   0.769
  268    H    ASP  37           HN       ASP  37  10.814  -2.376   3.019
  269    HA   ASP  37           HA       ASP  37  12.480  -1.020   2.556
  270    HB2  ASP  37           HB2      ASP  37  14.000  -2.974   3.203
  271    HB3  ASP  37           HB1      ASP  37  14.130  -3.322   1.480
  272    H    VAL  38           HN       VAL  38  11.677   0.158   1.176
  273    HA   VAL  38           HA       VAL  38  11.329  -0.811  -1.567
  274    HB   VAL  38           HB       VAL  38   9.708   1.272  -0.029
  275   HG11  VAL  38          HG11      VAL  38   9.748   1.831  -2.393
  276   HG12  VAL  38          HG12      VAL  38   8.153   1.272  -1.893
  277   HG13  VAL  38          HG13      VAL  38   9.220   0.197  -2.799
  278   HG21  VAL  38          HG21      VAL  38   8.969  -1.516  -0.902
  279   HG22  VAL  38          HG22      VAL  38   7.889  -0.356  -0.128
  280   HG23  VAL  38          HG23      VAL  38   9.281  -0.984   0.750
  281    H    ASP  39           HN       ASP  39  10.987   2.513  -0.556
  282    HA   ASP  39           HA       ASP  39  13.308   3.808  -0.949
  283    HB2  ASP  39           HB2      ASP  39  13.045   2.695  -3.396
  284    HB3  ASP  39           HB1      ASP  39  11.758   3.905  -3.513
  285    H    SER  40           HN       SER  40  12.415   6.068  -2.082
  286    HA   SER  40           HA       SER  40   9.854   6.456  -0.727
  287    HB2  SER  40           HB2      SER  40  10.510   8.821  -0.534
  288    HB3  SER  40           HB1      SER  40  11.511   7.698   0.380
  289    H    LEU  41           HN       LEU  41  11.666   6.900  -3.568
  290    HA   LEU  41           HA       LEU  41   9.765   8.574  -4.930
  291    HB2  LEU  41           HB2      LEU  41  11.832   6.688  -6.078
  292    HB3  LEU  41           HB1      LEU  41  11.028   7.986  -6.936
  293    HG   LEU  41           HG       LEU  41  12.939   8.361  -4.635
  294   HD11  LEU  41          HD11      LEU  41  14.479   9.199  -6.333
  295   HD12  LEU  41          HD12      LEU  41  13.323   8.766  -7.594
  296   HD13  LEU  41          HD13      LEU  41  14.066   7.508  -6.604
  297   HD21  LEU  41          HD21      LEU  41  11.270  10.134  -4.792
  298   HD22  LEU  41          HD22      LEU  41  11.655  10.356  -6.500
  299   HD23  LEU  41          HD23      LEU  41  12.865  10.720  -5.267
  300    H    SER  42           HN       SER  42  10.500   5.261  -4.552
  301    HA   SER  42           HA       SER  42   8.540   4.173  -6.264
  302    HB2  SER  42           HB2      SER  42  10.623   3.007  -5.566
  303    HB3  SER  42           HB1      SER  42  10.033   2.980  -3.910
  304    HG   SER  42           HG       SER  42   9.447   1.383  -6.025
  305    H    MET  43           HN       MET  43   8.747   5.047  -2.853
  306    HA   MET  43           HA       MET  43   6.445   3.875  -1.825
  307    HB2  MET  43           HB2      MET  43   8.174   4.880  -0.448
  308    HB3  MET  43           HB1      MET  43   7.743   6.476  -1.043
  309    HG2  MET  43           HG2      MET  43   6.870   5.947   1.201
  310    HG3  MET  43           HG1      MET  43   5.631   6.387   0.014
  311    HE1  MET  43           HE1      MET  43   6.537   1.973   0.911
  312    HE2  MET  43           HE2      MET  43   7.420   3.275   1.719
  313    HE3  MET  43           HE3      MET  43   7.530   3.099  -0.028
  314    H    VAL  44           HN       VAL  44   6.939   7.103  -3.202
  315    HA   VAL  44           HA       VAL  44   4.371   8.081  -2.870
  316    HB   VAL  44           HB       VAL  44   6.456   8.816  -4.956
  317   HG11  VAL  44          HG11      VAL  44   5.245  10.933  -5.174
  318   HG12  VAL  44          HG12      VAL  44   4.009  10.343  -4.066
  319   HG13  VAL  44          HG13      VAL  44   4.230   9.567  -5.636
  320   HG21  VAL  44          HG21      VAL  44   5.788  10.063  -2.289
  321   HG22  VAL  44          HG22      VAL  44   6.958  10.686  -3.447
  322   HG23  VAL  44          HG23      VAL  44   7.235   9.127  -2.667
  323    H    GLU  45           HN       GLU  45   5.856   6.214  -5.538
  324    HA   GLU  45           HA       GLU  45   3.637   6.455  -7.247
  325    HB2  GLU  45           HB2      GLU  45   5.768   4.319  -7.161
  326    HB3  GLU  45           HB1      GLU  45   4.675   4.626  -8.501
  327    HG2  GLU  45           HG2      GLU  45   6.809   6.477  -7.472
  328    HG3  GLU  45           HG1      GLU  45   6.878   5.513  -8.946
  329    H    VAL  46           HN       VAL  46   4.560   4.177  -4.728
  330    HA   VAL  46           HA       VAL  46   2.525   2.271  -5.157
  331    HB   VAL  46           HB       VAL  46   3.841   3.056  -2.511
  332   HG11  VAL  46          HG11      VAL  46   2.283   0.565  -3.222
  333   HG12  VAL  46          HG12      VAL  46   1.742   1.848  -2.140
  334   HG13  VAL  46          HG13      VAL  46   3.131   0.853  -1.702
  335   HG21  VAL  46          HG21      VAL  46   5.252   1.084  -2.870
  336   HG22  VAL  46          HG22      VAL  46   5.451   2.269  -4.163
  337   HG23  VAL  46          HG23      VAL  46   4.481   0.821  -4.435
  338    H    VAL  47           HN       VAL  47   2.557   5.197  -3.157
  339    HA   VAL  47           HA       VAL  47  -0.078   5.101  -2.166
  340    HB   VAL  47           HB       VAL  47   1.379   7.608  -3.075
  341   HG11  VAL  47          HG11      VAL  47   0.045   8.753  -1.356
  342   HG12  VAL  47          HG12      VAL  47  -0.778   7.238  -0.995
  343   HG13  VAL  47          HG13      VAL  47  -0.977   7.989  -2.575
  344   HG21  VAL  47          HG21      VAL  47   1.512   6.218  -0.399
  345   HG22  VAL  47          HG22      VAL  47   2.239   7.780  -0.782
  346   HG23  VAL  47          HG23      VAL  47   2.813   6.322  -1.586
  347    H    VAL  48           HN       VAL  48   1.047   7.062  -4.862
  348    HA   VAL  48           HA       VAL  48  -1.129   7.714  -6.359
  349    HB   VAL  48           HB       VAL  48   1.379   6.442  -7.530
  350   HG11  VAL  48          HG11      VAL  48   0.877   7.669  -9.592
  351   HG12  VAL  48          HG12      VAL  48  -0.652   8.202  -8.896
  352   HG13  VAL  48          HG13      VAL  48  -0.376   6.487  -9.207
  353   HG21  VAL  48          HG21      VAL  48   2.155   8.737  -7.858
  354   HG22  VAL  48          HG22      VAL  48   1.875   8.378  -6.155
  355   HG23  VAL  48          HG23      VAL  48   0.704   9.338  -7.058
  356    H    ALA  49           HN       ALA  49   0.496   4.550  -6.847
  357    HA   ALA  49           HA       ALA  49  -1.439   3.532  -8.598
  358    HB1  ALA  49           HB1      ALA  49   0.540   1.976  -6.955
  359    HB2  ALA  49           HB2      ALA  49   0.870   2.721  -8.519
  360    HB3  ALA  49           HB3      ALA  49  -0.304   1.411  -8.396
  361    H    ALA  50           HN       ALA  50  -1.162   3.238  -5.075
  362    HA   ALA  50           HA       ALA  50  -3.128   1.250  -4.727
  363    HB1  ALA  50           HB1      ALA  50  -1.626   1.976  -2.918
  364    HB2  ALA  50           HB2      ALA  50  -3.320   2.075  -2.431
  365    HB3  ALA  50           HB3      ALA  50  -2.442   3.539  -2.875
  366    H    GLU  51           HN       GLU  51  -3.342   4.771  -4.915
  367    HA   GLU  51           HA       GLU  51  -6.070   5.102  -4.486
  368    HB2  GLU  51           HB2      GLU  51  -4.246   6.679  -6.310
  369    HB3  GLU  51           HB1      GLU  51  -5.805   7.204  -5.706
  370    HG2  GLU  51           HG2      GLU  51  -4.920   7.232  -3.431
  371    HG3  GLU  51           HG1      GLU  51  -3.357   6.679  -4.035
  372    H    GLU  52           HN       GLU  52  -4.231   4.493  -7.399
  373    HA   GLU  52           HA       GLU  52  -6.483   4.647  -9.162
  374    HB2  GLU  52           HB2      GLU  52  -4.264   5.291  -9.865
  375    HB3  GLU  52           HB1      GLU  52  -3.674   3.665  -9.576
  376    HG2  GLU  52           HG2      GLU  52  -5.002   2.813 -11.377
  377    HG3  GLU  52           HG1      GLU  52  -5.756   4.387 -11.622
  378    H    ARG  53           HN       ARG  53  -4.990   2.082  -7.380
  379    HA   ARG  53           HA       ARG  53  -5.926  -0.014  -9.122
  380    HB2  ARG  53           HB2      ARG  53  -3.773  -0.192  -7.968
  381    HB3  ARG  53           HB1      ARG  53  -4.587  -0.129  -6.420
  382    HG2  ARG  53           HG2      ARG  53  -3.895  -2.384  -6.961
  383    HG3  ARG  53           HG1      ARG  53  -5.653  -2.274  -6.893
  384    HD2  ARG  53           HD2      ARG  53  -5.777  -2.239  -9.315
  385    HD3  ARG  53           HD1      ARG  53  -4.016  -2.187  -9.423
  386    HE   ARG  53           HE       ARG  53  -3.965  -4.386  -8.443
  387   HH11  ARG  53          HH11      ARG  53  -7.035  -3.403  -9.967
  388   HH12  ARG  53          HH12      ARG  53  -7.574  -4.977 -10.212
  389   HH21  ARG  53          HH21      ARG  53  -4.726  -6.584  -8.770
  390   HH22  ARG  53          HH22      ARG  53  -6.259  -6.866  -9.431
  391    H    PHE  54           HN       PHE  54  -6.861   1.424  -6.077
  392    HA   PHE  54           HA       PHE  54  -9.092  -0.488  -5.995
  393    HB2  PHE  54           HB2      PHE  54  -7.899   1.136  -3.765
  394    HB3  PHE  54           HB1      PHE  54  -9.203  -0.032  -3.577
  395    HD1  PHE  54           HD1      PHE  54  -8.396  -2.398  -4.823
  396    HD2  PHE  54           HD2      PHE  54  -5.909   0.468  -2.883
  397    HE1  PHE  54           HE1      PHE  54  -6.703  -4.130  -4.447
  398    HE2  PHE  54           HE2      PHE  54  -4.234  -1.277  -2.473
  399    HZ   PHE  54           HZ       PHE  54  -4.583  -3.510  -3.203
  400    H    ASP  55           HN       ASP  55  -8.390   2.539  -6.935
  401    HA   ASP  55           HA       ASP  55  -9.456   4.406  -7.461
  402    HB2  ASP  55           HB2      ASP  55 -11.921   2.702  -7.096
  403    HB3  ASP  55           HB1      ASP  55 -12.001   4.377  -7.632
  404    H    VAL  56           HN       VAL  56  -8.894   3.745  -4.676
  405    HA   VAL  56           HA       VAL  56 -10.760   5.521  -3.304
  406    HB   VAL  56           HB       VAL  56 -10.553   3.396  -2.220
  407   HG11  VAL  56          HG11      VAL  56  -8.429   2.528  -1.337
  408   HG12  VAL  56          HG12      VAL  56  -7.591   3.908  -2.044
  409   HG13  VAL  56          HG13      VAL  56  -8.378   2.733  -3.095
  410   HG21  VAL  56          HG21      VAL  56 -10.783   5.286  -0.733
  411   HG22  VAL  56          HG22      VAL  56  -9.032   5.486  -0.674
  412   HG23  VAL  56          HG23      VAL  56  -9.779   4.048   0.023
  413    H    LYS  57           HN       LYS  57 -10.189   7.456  -2.998
  414    HA   LYS  57           HA       LYS  57  -7.614   8.501  -3.489
  415    HB2  LYS  57           HB2      LYS  57  -9.558   9.945  -3.706
  416    HB3  LYS  57           HB1      LYS  57  -9.963   9.722  -2.010
  417    HG2  LYS  57           HG2      LYS  57  -8.932  11.911  -2.444
  418    HG3  LYS  57           HG1      LYS  57  -7.963  10.929  -1.342
  419    HD2  LYS  57           HD2      LYS  57  -6.599  10.227  -3.323
  420    HD3  LYS  57           HD1      LYS  57  -7.483  11.418  -4.275
  421    HE2  LYS  57           HE2      LYS  57  -6.661  13.202  -2.880
  422    HE3  LYS  57           HE1      LYS  57  -5.892  12.045  -1.796
  423    HZ1  LYS  57           HZ1      LYS  57  -4.547  11.320  -3.752
  424    HZ2  LYS  57           HZ2      LYS  57  -4.228  12.862  -3.158
  425    HZ3  LYS  57           HZ3      LYS  57  -5.103  12.696  -4.593
  426    H    ILE  58           HN       ILE  58  -5.982   7.787  -2.380
  427    HA   ILE  58           HA       ILE  58  -6.031   8.011   0.545
  428    HB   ILE  58           HB       ILE  58  -4.076   6.402  -1.137
  429   HG12  ILE  58          HG12      ILE  58  -6.406   5.346   0.477
  430   HG13  ILE  58          HG11      ILE  58  -6.383   5.465  -1.280
  431   HG21  ILE  58          HG21      ILE  58  -3.221   7.133   1.038
  432   HG22  ILE  58          HG22      ILE  58  -3.468   5.387   1.026
  433   HG23  ILE  58          HG23      ILE  58  -4.627   6.429   1.839
  434   HD11  ILE  58          HD11      ILE  58  -5.904   3.212  -0.534
  435   HD12  ILE  58          HD12      ILE  58  -4.534   3.801   0.405
  436   HD13  ILE  58          HD13      ILE  58  -4.508   3.908  -1.357
  437    HA   PRO  59           HA       PRO  59  -3.483  11.396  -1.039
  438    HB2  PRO  59           HB2      PRO  59  -3.684  12.475   1.657
  439    HB3  PRO  59           HB1      PRO  59  -4.281  13.156   0.142
  440    HG2  PRO  59           HG2      PRO  59  -5.896  12.178   2.097
  441    HG3  PRO  59           HG1      PRO  59  -6.346  12.197   0.378
  442    HD2  PRO  59           HD2      PRO  59  -5.373   9.952   2.079
  443    HD3  PRO  59           HD1      PRO  59  -6.567   9.937   0.761
  444    H    ASP  60           HN       ASP  60  -1.279  11.516  -0.986
  445    HA   ASP  60           HA       ASP  60   0.582  10.186   0.375
  446    HB2  ASP  60           HB2      ASP  60   0.758  13.149  -0.200
  447    HB3  ASP  60           HB1      ASP  60   2.114  12.073   0.085
  448    H    ASP  61           HN       ASP  61  -1.326  12.726   1.716
  449    HA   ASP  61           HA       ASP  61   0.187  13.205   4.104
  450    HB2  ASP  61           HB2      ASP  61  -2.756  13.659   3.550
  451    HB3  ASP  61           HB1      ASP  61  -1.877  14.273   4.939
  452    H    ASP  62           HN       ASP  62  -2.901  11.532   3.542
  453    HA   ASP  62           HA       ASP  62  -3.031  10.380   6.167
  454    HB2  ASP  62           HB2      ASP  62  -4.538   9.624   3.659
  455    HB3  ASP  62           HB1      ASP  62  -4.821   8.895   5.229
  456    H    VAL  63           HN       VAL  63  -1.717   9.305   3.214
  457    HA   VAL  63           HA       VAL  63  -1.564   6.603   3.857
  458    HB   VAL  63           HB       VAL  63  -1.114   7.803   1.615
  459   HG11  VAL  63          HG11      VAL  63   1.222   8.085   1.001
  460   HG12  VAL  63          HG12      VAL  63   1.680   7.827   2.685
  461   HG13  VAL  63          HG13      VAL  63   0.690   9.218   2.245
  462   HG21  VAL  63          HG21      VAL  63   0.547   5.451   2.437
  463   HG22  VAL  63          HG22      VAL  63   0.197   5.947   0.777
  464   HG23  VAL  63          HG23      VAL  63  -1.114   5.431   1.840
  465    H    LYS  64           HN       LYS  64   0.258   9.288   5.056
  466    HA   LYS  64           HA       LYS  64   2.544   7.846   5.846
  467    HB2  LYS  64           HB2      LYS  64   1.555  10.396   7.121
  468    HB3  LYS  64           HB1      LYS  64   3.200   9.792   7.106
  469    HG2  LYS  64           HG2      LYS  64   3.238  10.148   4.638
  470    HG3  LYS  64           HG1      LYS  64   1.651  10.893   4.758
  471    HD2  LYS  64           HD2      LYS  64   2.728  12.414   6.539
  472    HD3  LYS  64           HD1      LYS  64   4.263  11.839   5.892
  473    HE2  LYS  64           HE2      LYS  64   2.097  13.338   4.421
  474    HE3  LYS  64           HE1      LYS  64   3.701  13.924   4.834
  475    HZ1  LYS  64           HZ1      LYS  64   3.640  13.344   2.561
  476    HZ2  LYS  64           HZ2      LYS  64   3.001  11.820   2.876
  477    HZ3  LYS  64           HZ3      LYS  64   4.606  12.184   3.307
  478    H    ASN  65           HN       ASN  65  -0.590   8.112   7.032
  479    HA   ASN  65           HA       ASN  65   0.058   7.500   9.796
  480    HB2  ASN  65           HB2      ASN  65  -2.593   7.924   8.396
  481    HB3  ASN  65           HB1      ASN  65  -2.427   7.575  10.112
  482   HD21  ASN  65          HD21      ASN  65  -1.974   9.947   7.618
  483   HD22  ASN  65          HD22      ASN  65  -1.690  11.285   8.657
  484    H    LEU  66           HN       LEU  66  -0.654   5.915   6.910
  485    HA   LEU  66           HA       LEU  66  -1.929   3.608   8.046
  486    HB2  LEU  66           HB2      LEU  66  -0.642   3.896   5.318
  487    HB3  LEU  66           HB1      LEU  66  -1.772   2.667   5.823
  488    HG   LEU  66           HG       LEU  66  -2.435   5.598   5.552
  489   HD11  LEU  66          HD11      LEU  66  -2.002   4.569   3.398
  490   HD12  LEU  66          HD12      LEU  66  -3.719   4.916   3.600
  491   HD13  LEU  66          HD13      LEU  66  -3.124   3.265   3.782
  492   HD21  LEU  66          HD21      LEU  66  -4.752   4.851   5.800
  493   HD22  LEU  66          HD22      LEU  66  -3.805   4.478   7.244
  494   HD23  LEU  66          HD23      LEU  66  -4.197   3.212   6.079
  495    H    LYS  67           HN       LYS  67   1.102   3.934   6.242
  496    HA   LYS  67           HA       LYS  67   3.038   3.173   6.414
  497    HB2  LYS  67           HB2      LYS  67   2.393   3.142   9.272
  498    HB3  LYS  67           HB1      LYS  67   3.791   2.176   8.802
  499    HG2  LYS  67           HG2      LYS  67   3.379   5.046   8.052
  500    HG3  LYS  67           HG1      LYS  67   4.364   4.483   9.414
  501    HD2  LYS  67           HD2      LYS  67   5.824   3.354   8.055
  502    HD3  LYS  67           HD1      LYS  67   4.881   3.430   6.616
  503    HE2  LYS  67           HE2      LYS  67   5.095   5.970   6.805
  504    HE3  LYS  67           HE1      LYS  67   6.352   5.644   8.004
  505    HZ1  LYS  67           HZ1      LYS  67   7.451   5.854   5.992
  506    HZ2  LYS  67           HZ2      LYS  67   6.313   4.973   5.137
  507    HZ3  LYS  67           HZ3      LYS  67   7.362   4.173   6.210
  508    H    THR  68           HN       THR  68   0.796   0.894   7.607
  509    HA   THR  68           HA       THR  68   2.575  -1.078   6.449
  510    HB   THR  68           HB       THR  68   1.200  -2.765   7.756
  511    HG1  THR  68           HG1      THR  68   0.680  -0.879   9.694
  512   HG21  THR  68          HG21      THR  68   2.548  -2.318   9.832
  513   HG22  THR  68          HG22      THR  68   3.090  -0.794   9.043
  514   HG23  THR  68          HG23      THR  68   3.422  -2.361   8.312
  515    H    VAL  69           HN       VAL  69   1.729  -2.735   5.332
  516    HA   VAL  69           HA       VAL  69   0.042  -2.154   3.305
  517    HB   VAL  69           HB       VAL  69  -0.226  -4.773   3.174
  518   HG11  VAL  69          HG11      VAL  69   2.544  -3.523   3.246
  519   HG12  VAL  69          HG12      VAL  69   1.456  -3.459   1.861
  520   HG13  VAL  69          HG13      VAL  69   2.103  -5.005   2.407
  521   HG21  VAL  69          HG21      VAL  69   0.189  -5.159   5.493
  522   HG22  VAL  69          HG22      VAL  69   1.796  -4.447   5.338
  523   HG23  VAL  69          HG23      VAL  69   1.408  -5.947   4.494
  524    H    GLY  70           HN       GLY  70  -0.718  -3.899   6.297
  525    HA2  GLY  70           HA2      GLY  70  -3.448  -4.368   5.731
  526    HA3  GLY  70           HA1      GLY  70  -2.684  -4.508   7.304
  527    H    ASP  71           HN       ASP  71  -1.790  -1.679   7.296
  528    HA   ASP  71           HA       ASP  71  -4.197  -0.600   8.414
  529    HB2  ASP  71           HB2      ASP  71  -1.718  -0.124   9.087
  530    HB3  ASP  71           HB1      ASP  71  -1.761   1.039   7.769
  531    H    ALA  72           HN       ALA  72  -2.241  -0.124   5.554
  532    HA   ALA  72           HA       ALA  72  -3.668   1.920   4.300
  533    HB1  ALA  72           HB1      ALA  72  -2.271  -0.445   3.041
  534    HB2  ALA  72           HB2      ALA  72  -1.517   1.091   3.473
  535    HB3  ALA  72           HB3      ALA  72  -2.743   1.037   2.207
  536    H    THR  73           HN       THR  73  -3.919  -1.582   3.809
  537    HA   THR  73           HA       THR  73  -6.201  -1.839   2.436
  538    HB   THR  73           HB       THR  73  -5.238  -3.474   4.768
  539    HG1  THR  73           HG1      THR  73  -3.695  -3.409   3.203
  540   HG21  THR  73          HG21      THR  73  -6.508  -5.323   3.717
  541   HG22  THR  73          HG22      THR  73  -7.131  -4.171   2.522
  542   HG23  THR  73          HG23      THR  73  -7.570  -3.998   4.211
  543    H    LYS  74           HN       LYS  74  -6.079  -1.521   6.052
  544    HA   LYS  74           HA       LYS  74  -8.782  -1.615   6.559
  545    HB2  LYS  74           HB2      LYS  74  -7.189  -1.715   8.307
  546    HB3  LYS  74           HB1      LYS  74  -6.500  -0.167   7.862
  547    HG2  LYS  74           HG2      LYS  74  -8.527   0.955   8.635
  548    HG3  LYS  74           HG1      LYS  74  -9.226  -0.610   9.067
  549    HD2  LYS  74           HD2      LYS  74  -8.225   0.511  11.039
  550    HD3  LYS  74           HD1      LYS  74  -7.444  -1.022  10.594
  551    HE2  LYS  74           HE2      LYS  74  -5.796   0.702  11.202
  552    HE3  LYS  74           HE1      LYS  74  -5.615   0.127   9.553
  553    HZ1  LYS  74           HZ1      LYS  74  -5.352   2.397   9.423
  554    HZ2  LYS  74           HZ2      LYS  74  -6.568   2.757  10.510
  555    HZ3  LYS  74           HZ3      LYS  74  -6.982   2.275   8.960
  556    H    TYR  75           HN       TYR  75  -6.800   1.097   5.530
  557    HA   TYR  75           HA       TYR  75  -8.810   3.098   5.834
  558    HB2  TYR  75           HB2      TYR  75  -6.372   3.591   5.770
  559    HB3  TYR  75           HB1      TYR  75  -6.334   3.083   4.091
  560    HD1  TYR  75           HD1      TYR  75  -7.463   5.713   6.418
  561    HD2  TYR  75           HD2      TYR  75  -7.113   4.541   2.344
  562    HE1  TYR  75           HE1      TYR  75  -7.975   8.014   5.717
  563    HE2  TYR  75           HE2      TYR  75  -7.620   6.835   1.637
  564    HH   TYR  75           HH       TYR  75  -8.759   8.851   2.519
  565    H    ILE  76           HN       ILE  76  -7.490   1.246   3.174
  566    HA   ILE  76           HA       ILE  76  -9.093   2.227   1.094
  567    HB   ILE  76           HB       ILE  76  -7.786  -0.478   1.476
  568   HG12  ILE  76          HG12      ILE  76  -6.863   1.912  -0.118
  569   HG13  ILE  76          HG11      ILE  76  -6.350   1.571   1.529
  570   HG21  ILE  76          HG21      ILE  76  -8.887   0.782  -1.051
  571   HG22  ILE  76          HG22      ILE  76  -9.546  -0.624  -0.216
  572   HG23  ILE  76          HG23      ILE  76  -7.955  -0.713  -0.972
  573   HD11  ILE  76          HD11      ILE  76  -5.362  -0.506   0.789
  574   HD12  ILE  76          HD12      ILE  76  -4.694   0.878  -0.086
  575   HD13  ILE  76          HD13      ILE  76  -5.883  -0.176  -0.861
  576    H    LEU  77           HN       LEU  77  -9.460  -0.610   3.127
  577    HA   LEU  77           HA       LEU  77 -11.801  -1.677   2.103
  578    HB2  LEU  77           HB2      LEU  77 -10.442  -2.821   3.750
  579    HB3  LEU  77           HB1      LEU  77 -10.822  -1.601   4.948
  580    HG   LEU  77           HG       LEU  77 -13.239  -2.298   4.612
  581   HD11  LEU  77          HD11      LEU  77 -13.060  -3.549   2.622
  582   HD12  LEU  77          HD12      LEU  77 -13.637  -4.585   3.928
  583   HD13  LEU  77          HD13      LEU  77 -11.961  -4.695   3.390
  584   HD21  LEU  77          HD21      LEU  77 -12.027  -2.738   6.654
  585   HD22  LEU  77          HD22      LEU  77 -11.309  -4.183   5.940
  586   HD23  LEU  77          HD23      LEU  77 -13.045  -4.118   6.243
  587    H    ASP  78           HN       ASP  78 -11.366   0.840   4.477
  588    HA   ASP  78           HA       ASP  78 -14.215   0.941   5.019
  589    HB2  ASP  78           HB2      ASP  78 -12.531   1.237   6.791
  590    HB3  ASP  78           HB1      ASP  78 -12.022   2.717   6.017
  591    H    HIS  79           HN       HIS  79 -11.791   2.948   3.503
  592    HA   HIS  79           HA       HIS  79 -13.499   5.186   3.071
  593    HB2  HIS  79           HB2      HIS  79 -10.762   4.658   2.855
  594    HB3  HIS  79           HB1      HIS  79 -11.279   4.998   1.215
  595    HD1  HIS  79           HD1      HIS  79 -11.370   7.451   0.598
  596    HD2  HIS  79           HD2      HIS  79 -11.463   6.808   4.702
  597    HE1  HIS  79           HE1      HIS  79 -11.101   9.687   1.617
  598    HE2  HIS  79           HE2      HIS  79 -10.856   9.272   4.038
  599    H    GLN  80           HN       GLN  80 -12.176   2.646   0.919
  600    HA   GLN  80           HA       GLN  80 -12.536   2.124  -1.254
  601    HB2  GLN  80           HB2      GLN  80 -15.284   2.450  -0.173
  602    HB3  GLN  80           HB1      GLN  80 -14.981   1.685  -1.746
  603    HG2  GLN  80           HG2      GLN  80 -14.076   0.756   0.976
  604    HG3  GLN  80           HG1      GLN  80 -15.355   0.044  -0.004
  605   HE21  GLN  80          HE21      GLN  80 -12.942  -1.037   1.056
  606   HE22  GLN  80          HE22      GLN  80 -12.018  -1.676  -0.274
  607    H    ALA  81           HN       ALA  81 -14.171   2.681  -3.209
  608    HA   ALA  81           HA       ALA  81 -13.970   5.557  -3.634
  609    HB1  ALA  81           HB1      ALA  81 -14.424   5.000  -5.989
  610    HB2  ALA  81           HB2      ALA  81 -14.584   3.299  -5.549
  611    HB3  ALA  81           HB3      ALA  81 -13.029   4.113  -5.379
  612    H2   SHW 101           H2A      SHW 101   2.436   6.001   3.224
  613    H2A  SHW 101           H2B      SHW 101   3.405   5.000   2.160
  614    H3   SHW 101           H3A      SHW 101   2.981   4.459   5.110
  615    HO3  SHW 101           HO3      SHW 101   4.745   3.478   3.275
  616    H4   SHW 101           H4A      SHW 101   0.948   4.044   3.884
  617    H4A  SHW 101           H4B      SHW 101   1.680   2.510   4.317
  618    H5   SHW 101           H5A      SHW 101   2.521   2.246   2.047
  619    H5A  SHW 101           H5B      SHW 101   1.806   3.801   1.601
  620    H6   SHW 101           H6A      SHW 101  -0.416   2.919   2.223
  621    H6A  SHW 101           H6B      SHW 101   0.323   1.359   2.573
  622    H7   SHW 101           H7A      SHW 101  -0.677   1.278   0.375
  623    H7A  SHW 101           H7B      SHW 101   1.086   1.239   0.206
  624    H8   SHW 101           H8C      SHW 101   1.072   3.642  -0.260
  625    H8A  SHW 101           H8A      SHW 101  -0.683   3.664  -0.093
  626    H8B  SHW 101           H8B      SHW 101   0.065   2.763  -1.413
  627    H28  SHW 101          H28A      SHW 101  12.592  11.853   0.050
  628   H28A  SHW 101          H28B      SHW 101  11.172  10.857  -0.271
  629    H30  SHW 101          H30A      SHW 101  13.058  12.043   2.729
  630   H30A  SHW 101          H30B      SHW 101  12.310  10.479   3.059
  631   H30B  SHW 101          H30C      SHW 101  11.648  11.944   3.785
  632    H31  SHW 101          H31A      SHW 101  10.395  13.359   0.598
  633   H31A  SHW 101          H31B      SHW 101  11.969  13.690   1.324
  634   H31B  SHW 101          H31C      SHW 101  10.523  13.651   2.333
  635    H32  SHW 101          H32A      SHW 101   9.483  11.274   3.009
  636   HO33  SHW 101          H33A      SHW 101   8.500  10.666   0.717
  637   HN36  SHW 101          H36A      SHW 101  10.988   9.398   3.353
  638    H37  SHW 101          H37A      SHW 101   9.642   7.030   2.138
  639   H37A  SHW 101          H37B      SHW 101  11.388   7.036   2.342
  640    H38  SHW 101          H38A      SHW 101  10.263   5.703   4.029
  641   H38A  SHW 101          H38B      SHW 101  11.102   7.062   4.789
  642   HN41  SHW 101          H41A      SHW 101   8.272   7.903   3.143
  643    H42  SHW 101          H42A      SHW 101   6.308   7.250   4.969
  644   H42A  SHW 101          H42B      SHW 101   6.793   8.952   5.224
  645    H43  SHW 101          H43A      SHW 101   6.231   7.826   2.506
  646   H43A  SHW 101          H43B      SHW 101   5.862   9.494   3.047
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1 -15.229  -1.486  -2.831
    2    H2   ALA   1           HT2      ALA   1 -16.614  -0.949  -1.991
    3    H3   ALA   1           HT3      ALA   1 -16.697  -2.267  -3.041
    4    HA   ALA   1           HA       ALA   1 -15.199  -2.194  -0.504
    5    HB1  ALA   1           HB1      ALA   1 -16.807  -3.914   0.194
    6    HB2  ALA   1           HB2      ALA   1 -17.648  -3.753  -1.349
    7    HB3  ALA   1           HB3      ALA   1 -17.625  -2.405  -0.214
    8    H    ALA   2           HN       ALA   2 -13.578  -3.761  -0.323
    9    HA   ALA   2           HA       ALA   2 -13.478  -5.684  -2.496
   10    HB1  ALA   2           HB1      ALA   2 -11.188  -3.972  -1.517
   11    HB2  ALA   2           HB2      ALA   2 -11.990  -3.829  -3.081
   12    HB3  ALA   2           HB3      ALA   2 -11.068  -5.282  -2.694
   13    H    THR   3           HN       THR   3 -12.258  -7.491  -1.933
   14    HA   THR   3           HA       THR   3 -12.668  -8.332   0.750
   15    HB   THR   3           HB       THR   3 -10.872  -9.847  -1.101
   16    HG1  THR   3           HG1      THR   3 -12.260  -9.056  -2.695
   17   HG21  THR   3          HG21      THR   3 -12.418 -11.649  -0.496
   18   HG22  THR   3          HG22      THR   3 -13.467 -10.475   0.306
   19   HG23  THR   3          HG23      THR   3 -11.859 -10.800   0.949
   20    H    GLN   4           HN       GLN   4 -11.114  -8.226   2.400
   21    HA   GLN   4           HA       GLN   4  -9.183  -6.291   2.298
   22    HB2  GLN   4           HB2      GLN   4  -9.446  -8.565   4.201
   23    HB3  GLN   4           HB1      GLN   4  -8.266  -7.276   4.404
   24    HG2  GLN   4           HG2      GLN   4 -10.131  -5.645   4.313
   25    HG3  GLN   4           HG1      GLN   4 -11.247  -6.974   4.272
   26   HE21  GLN   4          HE21      GLN   4  -8.857  -5.366   6.237
   27   HE22  GLN   4          HE22      GLN   4  -9.321  -6.031   7.743
   28    H    GLU   5           HN       GLU   5  -8.605  -9.702   1.735
   29    HA   GLU   5           HA       GLU   5  -5.709  -9.414   1.707
   30    HB2  GLU   5           HB2      GLU   5  -7.459 -11.696   0.806
   31    HB3  GLU   5           HB1      GLU   5  -5.709 -11.749   0.968
   32    HG2  GLU   5           HG2      GLU   5  -5.860 -11.460   3.340
   33    HG3  GLU   5           HG1      GLU   5  -7.607 -11.212   3.233
   34    H    GLU   6           HN       GLU   6  -8.294  -9.255  -0.452
   35    HA   GLU   6           HA       GLU   6  -6.857  -9.425  -2.924
   36    HB2  GLU   6           HB2      GLU   6  -9.194  -9.975  -2.744
   37    HB3  GLU   6           HB1      GLU   6  -9.556  -8.417  -2.051
   38    HG2  GLU   6           HG2      GLU   6  -9.097  -7.384  -4.221
   39    HG3  GLU   6           HG1      GLU   6  -8.788  -8.995  -4.895
   40    H    ILE   7           HN       ILE   7  -7.841  -6.998  -0.640
   41    HA   ILE   7           HA       ILE   7  -7.015  -4.642  -1.968
   42    HB   ILE   7           HB       ILE   7  -6.992  -5.297   1.003
   43   HG12  ILE   7          HG12      ILE   7  -9.206  -4.180  -0.740
   44   HG13  ILE   7          HG11      ILE   7  -9.169  -5.676   0.137
   45   HG21  ILE   7          HG21      ILE   7  -5.688  -3.279   0.431
   46   HG22  ILE   7          HG22      ILE   7  -7.096  -2.943   1.427
   47   HG23  ILE   7          HG23      ILE   7  -7.146  -2.570  -0.288
   48   HD11  ILE   7          HD11      ILE   7 -10.571  -4.033   1.255
   49   HD12  ILE   7          HD12      ILE   7  -9.180  -2.969   1.444
   50   HD13  ILE   7          HD13      ILE   7  -9.213  -4.533   2.260
   51    H    VAL   8           HN       VAL   8  -5.405  -6.583   0.558
   52    HA   VAL   8           HA       VAL   8  -2.878  -5.500   0.400
   53    HB   VAL   8           HB       VAL   8  -3.674  -8.350   1.094
   54   HG11  VAL   8          HG11      VAL   8  -1.085  -6.897   1.671
   55   HG12  VAL   8          HG12      VAL   8  -1.282  -8.250   0.557
   56   HG13  VAL   8          HG13      VAL   8  -1.533  -8.488   2.288
   57   HG21  VAL   8          HG21      VAL   8  -4.713  -6.641   2.485
   58   HG22  VAL   8          HG22      VAL   8  -3.153  -5.912   2.779
   59   HG23  VAL   8          HG23      VAL   8  -3.498  -7.525   3.411
   60    H    ALA   9           HN       ALA   9  -4.288  -8.091  -1.551
   61    HA   ALA   9           HA       ALA   9  -2.003  -8.815  -2.991
   62    HB1  ALA   9           HB1      ALA   9  -4.869  -8.916  -3.932
   63    HB2  ALA   9           HB2      ALA   9  -4.050 -10.160  -2.989
   64    HB3  ALA   9           HB3      ALA   9  -3.518  -9.808  -4.633
   65    H    GLY  10           HN       GLY  10  -4.460  -6.322  -3.645
   66    HA2  GLY  10           HA2      GLY  10  -3.433  -5.465  -6.143
   67    HA3  GLY  10           HA1      GLY  10  -4.417  -4.476  -5.073
   68    H    LEU  11           HN       LEU  11  -2.831  -4.534  -2.848
   69    HA   LEU  11           HA       LEU  11  -0.983  -2.484  -3.333
   70    HB2  LEU  11           HB2      LEU  11  -1.171  -4.437  -1.044
   71    HB3  LEU  11           HB1      LEU  11  -0.077  -3.074  -1.088
   72    HG   LEU  11           HG       LEU  11  -3.085  -2.827  -1.172
   73   HD11  LEU  11          HD11      LEU  11  -2.346  -3.772   0.954
   74   HD12  LEU  11          HD12      LEU  11  -2.896  -2.107   1.158
   75   HD13  LEU  11          HD13      LEU  11  -1.170  -2.470   1.133
   76   HD21  LEU  11          HD21      LEU  11  -0.896  -0.791  -0.738
   77   HD22  LEU  11          HD22      LEU  11  -2.627  -0.475  -0.664
   78   HD23  LEU  11          HD23      LEU  11  -1.884  -0.954  -2.189
   79    H    ALA  12           HN       ALA  12  -0.512  -5.920  -2.733
   80    HA   ALA  12           HA       ALA  12   2.237  -6.101  -2.857
   81    HB1  ALA  12           HB1      ALA  12   1.911  -8.461  -3.294
   82    HB2  ALA  12           HB2      ALA  12   0.233  -8.159  -3.749
   83    HB3  ALA  12           HB3      ALA  12   0.760  -7.885  -2.088
   84    H    GLU  13           HN       GLU  13  -0.088  -6.381  -5.507
   85    HA   GLU  13           HA       GLU  13   1.919  -6.941  -7.416
   86    HB2  GLU  13           HB2      GLU  13   0.221  -6.518  -9.177
   87    HB3  GLU  13           HB1      GLU  13  -0.315  -7.645  -7.947
   88    HG2  GLU  13           HG2      GLU  13  -1.627  -5.872  -6.906
   89    HG3  GLU  13           HG1      GLU  13  -1.087  -4.751  -8.157
   90    H    ILE  14           HN       ILE  14   0.582  -3.988  -6.366
   91    HA   ILE  14           HA       ILE  14   1.873  -2.290  -8.226
   92    HB   ILE  14           HB       ILE  14   0.822  -1.868  -5.423
   93   HG12  ILE  14          HG12      ILE  14  -0.295  -0.968  -8.066
   94   HG13  ILE  14          HG11      ILE  14  -0.748  -2.472  -7.268
   95   HG21  ILE  14          HG21      ILE  14   1.754   0.227  -7.379
   96   HG22  ILE  14          HG22      ILE  14   2.540  -0.199  -5.860
   97   HG23  ILE  14          HG23      ILE  14   0.935   0.540  -5.847
   98   HD11  ILE  14          HD11      ILE  14  -1.528  -1.272  -5.385
   99   HD12  ILE  14          HD12      ILE  14  -2.349  -0.738  -6.863
  100   HD13  ILE  14          HD13      ILE  14  -1.083   0.275  -6.126
  101    H    VAL  15           HN       VAL  15   2.630  -3.314  -4.939
  102    HA   VAL  15           HA       VAL  15   5.066  -2.017  -4.612
  103    HB   VAL  15           HB       VAL  15   4.144  -4.656  -3.444
  104   HG11  VAL  15          HG11      VAL  15   5.818  -4.289  -1.678
  105   HG12  VAL  15          HG12      VAL  15   6.411  -2.870  -2.540
  106   HG13  VAL  15          HG13      VAL  15   6.580  -4.471  -3.258
  107   HG21  VAL  15          HG21      VAL  15   2.720  -2.789  -2.907
  108   HG22  VAL  15          HG22      VAL  15   4.112  -1.869  -2.340
  109   HG23  VAL  15          HG23      VAL  15   3.607  -3.325  -1.481
  110    H    ASN  16           HN       ASN  16   4.429  -5.264  -5.870
  111    HA   ASN  16           HA       ASN  16   7.126  -5.939  -6.273
  112    HB2  ASN  16           HB2      ASN  16   5.169  -7.498  -6.314
  113    HB3  ASN  16           HB1      ASN  16   4.821  -6.899  -7.928
  114   HD21  ASN  16          HD21      ASN  16   7.182  -8.598  -6.021
  115   HD22  ASN  16          HD22      ASN  16   7.998  -9.365  -7.332
  116    H    GLU  17           HN       GLU  17   4.900  -4.145  -8.205
  117    HA   GLU  17           HA       GLU  17   6.456  -4.131 -10.590
  118    HB2  GLU  17           HB2      GLU  17   4.030  -3.954 -10.581
  119    HB3  GLU  17           HB1      GLU  17   4.116  -2.483  -9.638
  120    HG2  GLU  17           HG2      GLU  17   5.074  -1.305 -11.497
  121    HG3  GLU  17           HG1      GLU  17   5.169  -2.806 -12.426
  122    H    ILE  18           HN       ILE  18   5.777  -1.755  -8.064
  123    HA   ILE  18           HA       ILE  18   7.607   0.191  -9.245
  124    HB   ILE  18           HB       ILE  18   5.865   0.357  -6.769
  125   HG12  ILE  18          HG12      ILE  18   5.511   1.682  -9.400
  126   HG13  ILE  18          HG11      ILE  18   4.730   0.113  -9.074
  127   HG21  ILE  18          HG21      ILE  18   7.771   1.891  -6.693
  128   HG22  ILE  18          HG22      ILE  18   6.259   2.764  -6.935
  129   HG23  ILE  18          HG23      ILE  18   7.349   2.494  -8.297
  130   HD11  ILE  18          HD11      ILE  18   3.195   1.950  -8.814
  131   HD12  ILE  18          HD12      ILE  18   4.315   2.781  -7.733
  132   HD13  ILE  18          HD13      ILE  18   3.546   1.279  -7.222
  133    H    ALA  19           HN       ALA  19   7.273  -1.401  -6.079
  134    HA   ALA  19           HA       ALA  19   9.767  -0.372  -5.048
  135    HB1  ALA  19           HB1      ALA  19   7.870  -0.811  -3.587
  136    HB2  ALA  19           HB2      ALA  19   9.271  -1.776  -3.124
  137    HB3  ALA  19           HB3      ALA  19   7.938  -2.524  -4.002
  138    H    GLY  20           HN       GLY  20   8.556  -3.345  -6.436
  139    HA2  GLY  20           HA2      GLY  20   9.738  -5.028  -7.530
  140    HA3  GLY  20           HA1      GLY  20  11.247  -4.314  -6.972
  141    H    ILE  21           HN       ILE  21   8.505  -5.103  -4.941
  142    HA   ILE  21           HA       ILE  21  10.257  -6.971  -3.505
  143    HB   ILE  21           HB       ILE  21   7.970  -5.287  -2.440
  144   HG12  ILE  21          HG12      ILE  21   9.930  -3.924  -2.891
  145   HG13  ILE  21          HG11      ILE  21   9.725  -4.101  -1.152
  146   HG21  ILE  21          HG21      ILE  21   8.076  -7.390  -1.236
  147   HG22  ILE  21          HG22      ILE  21   8.612  -6.063  -0.204
  148   HG23  ILE  21          HG23      ILE  21   9.796  -7.152  -0.925
  149   HD11  ILE  21          HD11      ILE  21  11.485  -5.792  -1.123
  150   HD12  ILE  21          HD12      ILE  21  12.061  -4.265  -1.788
  151   HD13  ILE  21          HD13      ILE  21  11.687  -5.613  -2.865
  152    HA   PRO  22           HA       PRO  22   7.782 -10.667  -4.425
  153    HB2  PRO  22           HB2      PRO  22   7.946 -11.088  -1.578
  154    HB3  PRO  22           HB1      PRO  22   8.690 -12.012  -2.883
  155    HG2  PRO  22           HG2      PRO  22   9.858  -9.919  -1.202
  156    HG3  PRO  22           HG1      PRO  22  10.667 -11.094  -2.256
  157    HD2  PRO  22           HD2      PRO  22  10.626  -8.470  -2.871
  158    HD3  PRO  22           HD1      PRO  22  10.480  -9.750  -4.111
  159    H    VAL  23           HN       VAL  23   5.886 -10.758  -4.809
  160    HA   VAL  23           HA       VAL  23   3.827  -9.156  -3.819
  161    HB   VAL  23           HB       VAL  23   3.638 -11.889  -5.135
  162   HG11  VAL  23          HG11      VAL  23   1.391 -11.216  -5.847
  163   HG12  VAL  23          HG12      VAL  23   1.545  -9.733  -4.905
  164   HG13  VAL  23          HG13      VAL  23   1.529 -11.295  -4.089
  165   HG21  VAL  23          HG21      VAL  23   3.578  -9.137  -6.359
  166   HG22  VAL  23          HG22      VAL  23   3.311 -10.650  -7.225
  167   HG23  VAL  23          HG23      VAL  23   4.883 -10.314  -6.500
  168    H    GLU  24           HN       GLU  24   5.051 -12.281  -2.763
  169    HA   GLU  24           HA       GLU  24   2.895 -12.313  -0.967
  170    HB2  GLU  24           HB2      GLU  24   4.694 -14.563  -1.777
  171    HB3  GLU  24           HB1      GLU  24   3.511 -14.724  -0.479
  172    HG2  GLU  24           HG2      GLU  24   1.712 -14.221  -1.983
  173    HG3  GLU  24           HG1      GLU  24   2.850 -13.886  -3.288
  174    H    ASP  25           HN       ASP  25   5.814 -11.100  -0.858
  175    HA   ASP  25           HA       ASP  25   6.399 -11.809   1.910
  176    HB2  ASP  25           HB2      ASP  25   8.255 -11.238   0.278
  177    HB3  ASP  25           HB1      ASP  25   7.653  -9.585   0.255
  178    H    VAL  26           HN       VAL  26   4.803  -9.562  -0.033
  179    HA   VAL  26           HA       VAL  26   4.130  -7.591   1.909
  180    HB   VAL  26           HB       VAL  26   3.027  -8.303  -0.845
  181   HG11  VAL  26          HG11      VAL  26   2.240  -5.932   0.859
  182   HG12  VAL  26          HG12      VAL  26   1.219  -7.335   0.505
  183   HG13  VAL  26          HG13      VAL  26   1.731  -6.273  -0.806
  184   HG21  VAL  26          HG21      VAL  26   4.611  -5.960   0.176
  185   HG22  VAL  26          HG22      VAL  26   4.079  -6.187  -1.487
  186   HG23  VAL  26          HG23      VAL  26   5.252  -7.302  -0.772
  187    H    LYS  27           HN       LYS  27   3.637  -9.052   3.537
  188    HA   LYS  27           HA       LYS  27   1.092 -10.520   3.529
  189    HB2  LYS  27           HB2      LYS  27   3.123 -10.100   5.741
  190    HB3  LYS  27           HB1      LYS  27   1.851 -11.318   5.699
  191    HG2  LYS  27           HG2      LYS  27   2.929 -12.392   3.790
  192    HG3  LYS  27           HG1      LYS  27   4.197 -11.173   3.816
  193    HD2  LYS  27           HD2      LYS  27   4.760 -11.910   6.128
  194    HD3  LYS  27           HD1      LYS  27   3.575 -13.205   5.950
  195    HE2  LYS  27           HE2      LYS  27   6.022 -12.765   4.258
  196    HE3  LYS  27           HE1      LYS  27   5.816 -14.019   5.483
  197    HZ1  LYS  27           HZ1      LYS  27   5.410 -15.050   3.400
  198    HZ2  LYS  27           HZ2      LYS  27   4.465 -13.784   2.849
  199    HZ3  LYS  27           HZ3      LYS  27   3.872 -14.801   4.058
  200    H    LEU  28           HN       LEU  28   0.954  -9.722   6.538
  201    HA   LEU  28           HA       LEU  28  -0.167  -7.030   6.032
  202    HB2  LEU  28           HB2      LEU  28  -1.244  -9.284   7.388
  203    HB3  LEU  28           HB1      LEU  28  -1.018  -7.973   8.531
  204    HG   LEU  28           HG       LEU  28  -2.189  -6.565   6.720
  205   HD11  LEU  28          HD11      LEU  28  -3.900  -7.761   5.501
  206   HD12  LEU  28          HD12      LEU  28  -3.198  -9.296   6.021
  207   HD13  LEU  28          HD13      LEU  28  -2.273  -8.201   4.988
  208   HD21  LEU  28          HD21      LEU  28  -2.943  -6.921   8.930
  209   HD22  LEU  28          HD22      LEU  28  -3.620  -8.501   8.502
  210   HD23  LEU  28          HD23      LEU  28  -4.314  -7.016   7.819
  211    H    ASP  29           HN       ASP  29   2.263  -8.610   7.512
  212    HA   ASP  29           HA       ASP  29   2.594  -7.050   9.966
  213    HB2  ASP  29           HB2      ASP  29   2.926  -9.452  10.012
  214    HB3  ASP  29           HB1      ASP  29   3.982  -9.315   8.614
  215    H    LYS  30           HN       LYS  30   3.073  -6.500   6.945
  216    HA   LYS  30           HA       LYS  30   5.909  -5.807   7.025
  217    HB2  LYS  30           HB2      LYS  30   4.009  -6.100   4.760
  218    HB3  LYS  30           HB1      LYS  30   5.690  -5.607   4.600
  219    HG2  LYS  30           HG2      LYS  30   4.745  -8.203   5.797
  220    HG3  LYS  30           HG1      LYS  30   5.327  -8.005   4.144
  221    HD2  LYS  30           HD2      LYS  30   7.500  -7.279   4.997
  222    HD3  LYS  30           HD1      LYS  30   6.913  -7.460   6.652
  223    HE2  LYS  30           HE2      LYS  30   6.546  -9.851   6.243
  224    HE3  LYS  30           HE1      LYS  30   7.165  -9.660   4.605
  225    HZ1  LYS  30           HZ1      LYS  30   8.709  -9.155   7.096
  226    HZ2  LYS  30           HZ2      LYS  30   9.327  -9.079   5.501
  227    HZ3  LYS  30           HZ3      LYS  30   8.815 -10.538   6.128
  228    H    SER  31           HN       SER  31   6.379  -3.759   7.633
  229    HA   SER  31           HA       SER  31   4.724  -1.592   6.811
  230    HB2  SER  31           HB2      SER  31   7.524  -1.559   7.950
  231    HB3  SER  31           HB1      SER  31   6.258  -0.336   8.048
  232    HG   SER  31           HG       SER  31   6.472  -2.795   9.369
  233    H    PHE  32           HN       PHE  32   4.901  -1.152   4.691
  234    HA   PHE  32           HA       PHE  32   6.450  -1.841   2.686
  235    HB2  PHE  32           HB2      PHE  32   5.537   0.956   3.234
  236    HB3  PHE  32           HB1      PHE  32   6.268   0.446   1.717
  237    HD1  PHE  32           HD1      PHE  32   5.121  -1.111   0.260
  238    HD2  PHE  32           HD2      PHE  32   3.416   0.352   3.824
  239    HE1  PHE  32           HE1      PHE  32   2.918  -1.868  -0.515
  240    HE2  PHE  32           HE2      PHE  32   1.180  -0.398   3.066
  241    HZ   PHE  32           HZ       PHE  32   0.981  -1.528   0.793
  242    H    THR  33           HN       THR  33   7.492   1.392   3.743
  243    HA   THR  33           HA       THR  33  10.147   0.582   3.106
  244    HB   THR  33           HB       THR  33  10.581   3.036   4.014
  245    HG1  THR  33           HG1      THR  33   8.835   4.060   4.343
  246   HG21  THR  33          HG21      THR  33  11.055   2.189   1.813
  247   HG22  THR  33          HG22      THR  33  10.246   3.756   1.674
  248   HG23  THR  33          HG23      THR  33   9.361   2.253   1.379
  249    H    ASP  34           HN       ASP  34   9.978  -1.062   4.858
  250    HA   ASP  34           HA       ASP  34  12.023  -0.459   6.675
  251    HB2  ASP  34           HB2      ASP  34  10.262   0.714   7.917
  252    HB3  ASP  34           HB1      ASP  34   9.318  -0.768   7.979
  253    H    ASP  35           HN       ASP  35   9.162  -2.504   6.424
  254    HA   ASP  35           HA       ASP  35  10.691  -4.883   7.125
  255    HB2  ASP  35           HB2      ASP  35   7.789  -4.384   6.559
  256    HB3  ASP  35           HB1      ASP  35   8.368  -6.018   6.685
  257    H    LEU  36           HN       LEU  36   8.825  -3.644   4.404
  258    HA   LEU  36           HA       LEU  36   9.535  -5.855   2.703
  259    HB2  LEU  36           HB2      LEU  36   8.304  -3.179   2.047
  260    HB3  LEU  36           HB1      LEU  36   8.502  -4.490   0.901
  261    HG   LEU  36           HG       LEU  36   6.800  -4.622   3.386
  262   HD11  LEU  36          HD11      LEU  36   5.901  -3.063   1.740
  263   HD12  LEU  36          HD12      LEU  36   4.919  -4.527   1.828
  264   HD13  LEU  36          HD13      LEU  36   6.040  -4.294   0.486
  265   HD21  LEU  36          HD21      LEU  36   7.113  -6.509   1.058
  266   HD22  LEU  36          HD22      LEU  36   5.960  -6.683   2.383
  267   HD23  LEU  36          HD23      LEU  36   7.690  -6.780   2.702
  268    H    ASP  37           HN       ASP  37  10.404  -2.477   2.957
  269    HA   ASP  37           HA       ASP  37  12.281  -1.360   2.688
  270    HB2  ASP  37           HB2      ASP  37  13.598  -3.452   3.287
  271    HB3  ASP  37           HB1      ASP  37  13.673  -3.815   1.566
  272    H    VAL  38           HN       VAL  38  11.294  -0.122   1.341
  273    HA   VAL  38           HA       VAL  38  11.319  -0.787  -1.492
  274    HB   VAL  38           HB       VAL  38   9.693   1.291   0.039
  275   HG11  VAL  38          HG11      VAL  38   9.416   0.381  -2.822
  276   HG12  VAL  38          HG12      VAL  38  10.013   1.952  -2.289
  277   HG13  VAL  38          HG13      VAL  38   8.337   1.494  -1.981
  278   HG21  VAL  38          HG21      VAL  38   7.781  -0.185  -0.321
  279   HG22  VAL  38          HG22      VAL  38   9.032  -0.957   0.650
  280   HG23  VAL  38          HG23      VAL  38   8.845  -1.387  -1.051
  281    H    ASP  39           HN       ASP  39  11.037   2.470  -0.499
  282    HA   ASP  39           HA       ASP  39  13.648   3.456  -0.516
  283    HB2  ASP  39           HB2      ASP  39  13.425   2.452  -2.975
  284    HB3  ASP  39           HB1      ASP  39  12.314   3.812  -3.161
  285    H    SER  40           HN       SER  40  13.273   5.848  -1.689
  286    HA   SER  40           HA       SER  40  11.174   7.028  -0.054
  287    HB2  SER  40           HB2      SER  40  13.271   8.272  -1.856
  288    HB3  SER  40           HB1      SER  40  12.151   9.176  -0.841
  289    H    LEU  41           HN       LEU  41  12.075   6.640  -3.393
  290    HA   LEU  41           HA       LEU  41  10.100   8.521  -4.367
  291    HB2  LEU  41           HB2      LEU  41  11.943   6.705  -5.896
  292    HB3  LEU  41           HB1      LEU  41  10.950   7.967  -6.594
  293    HG   LEU  41           HG       LEU  41  13.224   8.383  -4.661
  294   HD11  LEU  41          HD11      LEU  41  13.956   7.710  -6.873
  295   HD12  LEU  41          HD12      LEU  41  14.334   9.408  -6.573
  296   HD13  LEU  41          HD13      LEU  41  12.966   8.976  -7.599
  297   HD21  LEU  41          HD21      LEU  41  11.469  10.379  -6.092
  298   HD22  LEU  41          HD22      LEU  41  12.887  10.763  -5.115
  299   HD23  LEU  41          HD23      LEU  41  11.465  10.046  -4.359
  300    H    SER  42           HN       SER  42  10.574   5.032  -4.515
  301    HA   SER  42           HA       SER  42   8.422   4.566  -6.243
  302    HB2  SER  42           HB2      SER  42   8.945   2.182  -5.320
  303    HB3  SER  42           HB1      SER  42  10.130   3.011  -6.338
  304    HG   SER  42           HG       SER  42  10.990   2.092  -4.385
  305    H    MET  43           HN       MET  43   8.783   4.988  -2.886
  306    HA   MET  43           HA       MET  43   6.540   3.663  -1.846
  307    HB2  MET  43           HB2      MET  43   8.333   4.596  -0.491
  308    HB3  MET  43           HB1      MET  43   7.824   6.222  -0.924
  309    HG2  MET  43           HG2      MET  43   7.093   5.441   1.300
  310    HG3  MET  43           HG1      MET  43   5.798   6.002   0.231
  311    HE1  MET  43           HE1      MET  43   7.677   2.766  -0.304
  312    HE2  MET  43           HE2      MET  43   6.714   1.525   0.473
  313    HE3  MET  43           HE3      MET  43   7.658   2.661   1.457
  314    H    VAL  44           HN       VAL  44   6.964   6.905  -3.169
  315    HA   VAL  44           HA       VAL  44   4.344   7.796  -2.585
  316    HB   VAL  44           HB       VAL  44   6.352   8.915  -4.572
  317   HG11  VAL  44          HG11      VAL  44   4.099   9.767  -4.960
  318   HG12  VAL  44          HG12      VAL  44   5.146  11.032  -4.314
  319   HG13  VAL  44          HG13      VAL  44   3.973  10.236  -3.263
  320   HG21  VAL  44          HG21      VAL  44   6.986  10.470  -2.772
  321   HG22  VAL  44          HG22      VAL  44   7.310   8.792  -2.331
  322   HG23  VAL  44          HG23      VAL  44   5.910   9.620  -1.665
  323    H    GLU  45           HN       GLU  45   5.899   6.175  -5.306
  324    HA   GLU  45           HA       GLU  45   3.798   6.559  -7.135
  325    HB2  GLU  45           HB2      GLU  45   5.960   4.461  -6.978
  326    HB3  GLU  45           HB1      GLU  45   4.906   4.721  -8.364
  327    HG2  GLU  45           HG2      GLU  45   5.830   6.911  -8.715
  328    HG3  GLU  45           HG1      GLU  45   6.787   6.774  -7.244
  329    H    VAL  46           HN       VAL  46   4.583   4.097  -4.729
  330    HA   VAL  46           HA       VAL  46   2.555   2.265  -5.339
  331    HB   VAL  46           HB       VAL  46   3.727   2.910  -2.590
  332   HG11  VAL  46          HG11      VAL  46   1.594   1.723  -2.379
  333   HG12  VAL  46          HG12      VAL  46   2.941   0.681  -1.924
  334   HG13  VAL  46          HG13      VAL  46   2.165   0.483  -3.493
  335   HG21  VAL  46          HG21      VAL  46   5.406   2.162  -4.199
  336   HG22  VAL  46          HG22      VAL  46   4.430   0.742  -4.572
  337   HG23  VAL  46          HG23      VAL  46   5.130   0.934  -2.965
  338    H    VAL  47           HN       VAL  47   2.515   5.047  -3.130
  339    HA   VAL  47           HA       VAL  47  -0.143   4.983  -2.272
  340    HB   VAL  47           HB       VAL  47   1.465   7.454  -3.001
  341   HG11  VAL  47          HG11      VAL  47   0.042   8.626  -1.371
  342   HG12  VAL  47          HG12      VAL  47  -0.894   7.149  -1.136
  343   HG13  VAL  47          HG13      VAL  47  -0.908   7.953  -2.694
  344   HG21  VAL  47          HG21      VAL  47   2.121   7.509  -0.639
  345   HG22  VAL  47          HG22      VAL  47   2.682   6.038  -1.436
  346   HG23  VAL  47          HG23      VAL  47   1.273   5.985  -0.376
  347    H    VAL  48           HN       VAL  48   1.125   7.041  -4.852
  348    HA   VAL  48           HA       VAL  48  -1.122   7.909  -6.130
  349    HB   VAL  48           HB       VAL  48   1.494   7.057  -7.418
  350   HG11  VAL  48          HG11      VAL  48  -0.256   7.182  -9.121
  351   HG12  VAL  48          HG12      VAL  48   0.888   8.514  -9.291
  352   HG13  VAL  48          HG13      VAL  48  -0.694   8.796  -8.561
  353   HG21  VAL  48          HG21      VAL  48   2.019   9.446  -7.343
  354   HG22  VAL  48          HG22      VAL  48   1.719   8.797  -5.731
  355   HG23  VAL  48          HG23      VAL  48   0.479   9.760  -6.537
  356    H    ALA  49           HN       ALA  49   0.553   4.860  -6.993
  357    HA   ALA  49           HA       ALA  49  -1.309   4.088  -8.953
  358    HB1  ALA  49           HB1      ALA  49   0.543   2.312  -7.371
  359    HB2  ALA  49           HB2      ALA  49   0.968   3.190  -8.842
  360    HB3  ALA  49           HB3      ALA  49  -0.248   1.913  -8.896
  361    H    ALA  50           HN       ALA  50  -1.180   3.451  -5.481
  362    HA   ALA  50           HA       ALA  50  -3.160   1.461  -5.429
  363    HB1  ALA  50           HB1      ALA  50  -2.466   3.427  -3.250
  364    HB2  ALA  50           HB2      ALA  50  -1.657   1.888  -3.537
  365    HB3  ALA  50           HB3      ALA  50  -3.352   1.915  -3.049
  366    H    GLU  51           HN       GLU  51  -3.375   4.976  -5.326
  367    HA   GLU  51           HA       GLU  51  -6.071   5.233  -4.715
  368    HB2  GLU  51           HB2      GLU  51  -4.456   6.929  -6.624
  369    HB3  GLU  51           HB1      GLU  51  -5.936   7.394  -5.803
  370    HG2  GLU  51           HG2      GLU  51  -4.806   7.281  -3.654
  371    HG3  GLU  51           HG1      GLU  51  -3.324   6.769  -4.460
  372    H    GLU  52           HN       GLU  52  -4.490   4.821  -7.823
  373    HA   GLU  52           HA       GLU  52  -6.950   4.869  -9.282
  374    HB2  GLU  52           HB2      GLU  52  -4.880   5.633 -10.295
  375    HB3  GLU  52           HB1      GLU  52  -4.192   4.023 -10.112
  376    HG2  GLU  52           HG2      GLU  52  -5.933   3.147 -11.624
  377    HG3  GLU  52           HG1      GLU  52  -6.542   4.785 -11.843
  378    H    ARG  53           HN       ARG  53  -4.805   2.323  -8.093
  379    HA   ARG  53           HA       ARG  53  -5.858   0.224  -9.687
  380    HB2  ARG  53           HB2      ARG  53  -3.613   0.306  -8.500
  381    HB3  ARG  53           HB1      ARG  53  -4.481  -0.082  -7.023
  382    HG2  ARG  53           HG2      ARG  53  -3.539  -2.094  -7.910
  383    HG3  ARG  53           HG1      ARG  53  -5.294  -2.168  -8.132
  384    HD2  ARG  53           HD2      ARG  53  -4.998  -1.348 -10.447
  385    HD3  ARG  53           HD1      ARG  53  -3.260  -1.343 -10.139
  386    HE   ARG  53           HE       ARG  53  -3.622  -3.849  -9.754
  387   HH11  ARG  53          HH11      ARG  53  -5.564  -1.982 -12.085
  388   HH12  ARG  53          HH12      ARG  53  -5.508  -3.257 -13.243
  389   HH21  ARG  53          HH21      ARG  53  -3.634  -5.471 -11.304
  390   HH22  ARG  53          HH22      ARG  53  -4.449  -5.256 -12.821
  391    H    PHE  54           HN       PHE  54  -6.592   1.502  -6.551
  392    HA   PHE  54           HA       PHE  54  -8.502  -0.637  -6.027
  393    HB2  PHE  54           HB2      PHE  54  -7.418   1.592  -4.310
  394    HB3  PHE  54           HB1      PHE  54  -8.613   0.428  -3.769
  395    HD1  PHE  54           HD2      PHE  54  -5.235   0.471  -5.351
  396    HD2  PHE  54           HD1      PHE  54  -7.816  -1.385  -2.545
  397    HE1  PHE  54           HE2      PHE  54  -3.435  -1.088  -4.673
  398    HE2  PHE  54           HE1      PHE  54  -6.020  -2.905  -1.885
  399    HZ   PHE  54           HZ       PHE  54  -3.788  -2.633  -2.856
  400    H    ASP  55           HN       ASP  55  -8.428   2.267  -7.532
  401    HA   ASP  55           HA       ASP  55  -9.897   3.797  -8.267
  402    HB2  ASP  55           HB2      ASP  55 -11.918   1.682  -7.495
  403    HB3  ASP  55           HB1      ASP  55 -12.343   3.163  -8.346
  404    H    VAL  56           HN       VAL  56  -9.128   3.721  -5.457
  405    HA   VAL  56           HA       VAL  56 -11.321   5.297  -4.297
  406    HB   VAL  56           HB       VAL  56 -10.328   4.836  -2.061
  407   HG11  VAL  56          HG11      VAL  56 -10.867   2.326  -3.607
  408   HG12  VAL  56          HG12      VAL  56 -12.062   3.365  -2.811
  409   HG13  VAL  56          HG13      VAL  56 -10.856   2.505  -1.850
  410   HG21  VAL  56          HG21      VAL  56  -7.994   4.544  -2.716
  411   HG22  VAL  56          HG22      VAL  56  -8.410   3.045  -3.551
  412   HG23  VAL  56          HG23      VAL  56  -8.565   3.147  -1.800
  413    H    LYS  57           HN       LYS  57  -9.959   6.670  -2.374
  414    HA   LYS  57           HA       LYS  57  -7.667   7.908  -3.713
  415    HB2  LYS  57           HB2      LYS  57  -9.820   9.350  -2.142
  416    HB3  LYS  57           HB1      LYS  57  -8.310  10.063  -2.673
  417    HG2  LYS  57           HG2      LYS  57 -10.589   9.120  -4.403
  418    HG3  LYS  57           HG1      LYS  57 -10.069  10.782  -4.122
  419    HD2  LYS  57           HD2      LYS  57  -8.561   8.621  -5.601
  420    HD3  LYS  57           HD1      LYS  57  -9.309  10.053  -6.296
  421    HE2  LYS  57           HE2      LYS  57  -6.946   9.993  -4.412
  422    HE3  LYS  57           HE1      LYS  57  -6.883  10.283  -6.143
  423    HZ1  LYS  57           HZ1      LYS  57  -8.049  12.072  -4.060
  424    HZ2  LYS  57           HZ2      LYS  57  -8.320  12.274  -5.701
  425    HZ3  LYS  57           HZ3      LYS  57  -6.743  12.358  -5.106
  426    H    ILE  58           HN       ILE  58  -5.969   7.658  -2.635
  427    HA   ILE  58           HA       ILE  58  -6.090   7.603   0.283
  428    HB   ILE  58           HB       ILE  58  -4.082   6.056  -1.399
  429   HG12  ILE  58          HG12      ILE  58  -6.499   4.886   0.003
  430   HG13  ILE  58          HG11      ILE  58  -6.402   5.160  -1.732
  431   HG21  ILE  58          HG21      ILE  58  -3.384   6.653   0.864
  432   HG22  ILE  58          HG22      ILE  58  -3.633   4.908   0.732
  433   HG23  ILE  58          HG23      ILE  58  -4.849   5.914   1.516
  434   HD11  ILE  58          HD11      ILE  58  -4.536   3.595  -1.873
  435   HD12  ILE  58          HD12      ILE  58  -5.965   2.844  -1.162
  436   HD13  ILE  58          HD13      ILE  58  -4.627   3.340  -0.130
  437    HA   PRO  59           HA       PRO  59  -3.651  10.987  -1.562
  438    HB2  PRO  59           HB2      PRO  59  -3.980  12.749   0.479
  439    HB3  PRO  59           HB1      PRO  59  -5.155  12.537  -0.824
  440    HG2  PRO  59           HG2      PRO  59  -5.191  11.460   1.956
  441    HG3  PRO  59           HG1      PRO  59  -6.526  12.093   0.979
  442    HD2  PRO  59           HD2      PRO  59  -6.066   9.431   1.333
  443    HD3  PRO  59           HD1      PRO  59  -6.828  10.102  -0.123
  444    H    ASP  60           HN       ASP  60  -1.581  11.408  -1.351
  445    HA   ASP  60           HA       ASP  60   0.282  10.264   0.205
  446    HB2  ASP  60           HB2      ASP  60   0.913  11.621  -1.678
  447    HB3  ASP  60           HB1      ASP  60   0.314  13.077  -0.899
  448    H    ASP  61           HN       ASP  61  -1.734  12.865   1.251
  449    HA   ASP  61           HA       ASP  61  -0.272  13.543   3.602
  450    HB2  ASP  61           HB2      ASP  61  -3.196  13.926   2.955
  451    HB3  ASP  61           HB1      ASP  61  -2.410  14.556   4.392
  452    H    ASP  62           HN       ASP  62  -3.267  11.620   3.216
  453    HA   ASP  62           HA       ASP  62  -3.222  10.789   5.991
  454    HB2  ASP  62           HB2      ASP  62  -5.015   9.999   3.702
  455    HB3  ASP  62           HB1      ASP  62  -5.162   9.314   5.310
  456    H    VAL  63           HN       VAL  63  -2.040   9.533   3.090
  457    HA   VAL  63           HA       VAL  63  -1.986   6.826   3.792
  458    HB   VAL  63           HB       VAL  63  -1.602   7.930   1.511
  459   HG11  VAL  63          HG11      VAL  63   0.198   9.391   2.029
  460   HG12  VAL  63          HG12      VAL  63   0.709   8.221   0.811
  461   HG13  VAL  63          HG13      VAL  63   1.220   8.030   2.489
  462   HG21  VAL  63          HG21      VAL  63  -0.256   6.061   0.712
  463   HG22  VAL  63          HG22      VAL  63  -1.576   5.589   1.783
  464   HG23  VAL  63          HG23      VAL  63   0.082   5.624   2.390
  465    H    LYS  64           HN       LYS  64  -0.124   9.473   4.878
  466    HA   LYS  64           HA       LYS  64   2.196   8.055   5.605
  467    HB2  LYS  64           HB2      LYS  64   1.239  10.732   6.604
  468    HB3  LYS  64           HB1      LYS  64   2.867  10.085   6.798
  469    HG2  LYS  64           HG2      LYS  64   3.074  10.016   4.334
  470    HG3  LYS  64           HG1      LYS  64   1.496  10.782   4.212
  471    HD2  LYS  64           HD2      LYS  64   2.387  12.690   5.536
  472    HD3  LYS  64           HD1      LYS  64   3.980  11.929   5.472
  473    HE2  LYS  64           HE2      LYS  64   2.325  12.883   3.140
  474    HE3  LYS  64           HE1      LYS  64   3.831  13.585   3.730
  475    HZ1  LYS  64           HZ1      LYS  64   3.503  10.884   2.582
  476    HZ2  LYS  64           HZ2      LYS  64   4.971  11.536   3.122
  477    HZ3  LYS  64           HZ3      LYS  64   4.163  12.195   1.776
  478    H    ASN  65           HN       ASN  65  -0.793   7.878   6.880
  479    HA   ASN  65           HA       ASN  65   0.192   7.222   9.578
  480    HB2  ASN  65           HB2      ASN  65  -1.680   8.861   9.483
  481    HB3  ASN  65           HB1      ASN  65  -2.654   7.694   8.608
  482   HD21  ASN  65          HD21      ASN  65  -4.247   7.809  10.188
  483   HD22  ASN  65          HD22      ASN  65  -4.093   7.025  11.721
  484    H    LEU  66           HN       LEU  66  -0.065   5.785   6.760
  485    HA   LEU  66           HA       LEU  66  -1.414   3.408   7.730
  486    HB2  LEU  66           HB2      LEU  66  -0.342   3.963   4.966
  487    HB3  LEU  66           HB1      LEU  66  -1.293   2.571   5.455
  488    HG   LEU  66           HG       LEU  66  -2.220   5.437   5.324
  489   HD11  LEU  66          HD11      LEU  66  -3.758   4.613   3.620
  490   HD12  LEU  66          HD12      LEU  66  -3.017   3.016   3.747
  491   HD13  LEU  66          HD13      LEU  66  -2.069   4.387   3.166
  492   HD21  LEU  66          HD21      LEU  66  -3.239   4.338   7.242
  493   HD22  LEU  66          HD22      LEU  66  -3.737   2.989   6.218
  494   HD23  LEU  66          HD23      LEU  66  -4.429   4.587   5.964
  495    H    LYS  67           HN       LYS  67   1.553   3.913   5.835
  496    HA   LYS  67           HA       LYS  67   3.461   2.957   5.737
  497    HB2  LYS  67           HB2      LYS  67   4.837   2.595   7.859
  498    HB3  LYS  67           HB1      LYS  67   4.225   4.203   7.558
  499    HG2  LYS  67           HG2      LYS  67   4.084   3.712   9.902
  500    HG3  LYS  67           HG1      LYS  67   2.453   3.788   9.247
  501    HD2  LYS  67           HD2      LYS  67   2.457   1.305   9.123
  502    HD3  LYS  67           HD1      LYS  67   4.031   1.303   9.921
  503    HE2  LYS  67           HE2      LYS  67   3.078   2.357  11.879
  504    HE3  LYS  67           HE1      LYS  67   1.533   2.544  11.048
  505    HZ1  LYS  67           HZ1      LYS  67   1.671   0.677  12.636
  506    HZ2  LYS  67           HZ2      LYS  67   2.763  -0.100  11.608
  507    HZ3  LYS  67           HZ3      LYS  67   1.164   0.253  11.089
  508    H    THR  68           HN       THR  68   1.270   0.861   7.239
  509    HA   THR  68           HA       THR  68   2.990  -1.298   6.220
  510    HB   THR  68           HB       THR  68   1.598  -2.935   7.398
  511    HG1  THR  68           HG1      THR  68   0.422  -0.988   9.063
  512   HG21  THR  68          HG21      THR  68   2.849  -0.928   9.275
  513   HG22  THR  68          HG22      THR  68   3.642  -2.284   8.439
  514   HG23  THR  68          HG23      THR  68   2.423  -2.609   9.654
  515    H    VAL  69           HN       VAL  69   1.862  -3.077   5.388
  516    HA   VAL  69           HA       VAL  69   0.026  -2.476   3.336
  517    HB   VAL  69           HB       VAL  69  -0.113  -5.083   3.320
  518   HG11  VAL  69          HG11      VAL  69   2.558  -3.667   3.058
  519   HG12  VAL  69          HG12      VAL  69   1.325  -3.742   1.795
  520   HG13  VAL  69          HG13      VAL  69   2.143  -5.214   2.322
  521   HG21  VAL  69          HG21      VAL  69   2.167  -4.646   5.232
  522   HG22  VAL  69          HG22      VAL  69   1.686  -6.181   4.507
  523   HG23  VAL  69          HG23      VAL  69   0.603  -5.356   5.627
  524    H    GLY  70           HN       GLY  70  -0.251  -3.796   6.572
  525    HA2  GLY  70           HA2      GLY  70  -2.967  -4.574   6.370
  526    HA3  GLY  70           HA1      GLY  70  -2.056  -4.407   7.875
  527    H    ASP  71           HN       ASP  71  -1.365  -1.771   7.855
  528    HA   ASP  71           HA       ASP  71  -3.714  -0.440   8.674
  529    HB2  ASP  71           HB2      ASP  71  -1.011   0.695   7.931
  530    HB3  ASP  71           HB1      ASP  71  -2.334   1.696   8.481
  531    H    ALA  72           HN       ALA  72  -1.920  -0.378   5.640
  532    HA   ALA  72           HA       ALA  72  -3.348   1.626   4.331
  533    HB1  ALA  72           HB1      ALA  72  -2.143  -0.874   3.130
  534    HB2  ALA  72           HB2      ALA  72  -1.291   0.643   3.427
  535    HB3  ALA  72           HB3      ALA  72  -2.599   0.583   2.244
  536    H    THR  73           HN       THR  73  -3.831  -1.899   3.976
  537    HA   THR  73           HA       THR  73  -6.208  -2.031   2.743
  538    HB   THR  73           HB       THR  73  -5.156  -3.720   5.001
  539    HG1  THR  73           HG1      THR  73  -3.695  -3.883   3.448
  540   HG21  THR  73          HG21      THR  73  -7.181  -4.368   2.847
  541   HG22  THR  73          HG22      THR  73  -7.552  -4.159   4.554
  542   HG23  THR  73          HG23      THR  73  -6.542  -5.515   4.028
  543    H    LYS  74           HN       LYS  74  -5.730  -1.535   6.222
  544    HA   LYS  74           HA       LYS  74  -8.372  -1.720   7.079
  545    HB2  LYS  74           HB2      LYS  74  -6.306  -1.709   8.477
  546    HB3  LYS  74           HB1      LYS  74  -6.142   0.004   8.159
  547    HG2  LYS  74           HG2      LYS  74  -8.175   0.451   9.389
  548    HG3  LYS  74           HG1      LYS  74  -8.427  -1.283   9.635
  549    HD2  LYS  74           HD2      LYS  74  -6.255  -1.407  10.793
  550    HD3  LYS  74           HD1      LYS  74  -6.081   0.337  10.615
  551    HE2  LYS  74           HE2      LYS  74  -8.076   0.682  11.968
  552    HE3  LYS  74           HE1      LYS  74  -8.287  -1.065  12.117
  553    HZ1  LYS  74           HZ1      LYS  74  -7.196  -0.119  14.067
  554    HZ2  LYS  74           HZ2      LYS  74  -5.915   0.441  13.091
  555    HZ3  LYS  74           HZ3      LYS  74  -6.215  -1.219  13.253
  556    H    TYR  75           HN       TYR  75  -6.529   0.991   5.816
  557    HA   TYR  75           HA       TYR  75  -8.631   2.939   6.132
  558    HB2  TYR  75           HB2      TYR  75  -6.330   3.724   6.161
  559    HB3  TYR  75           HB1      TYR  75  -6.023   3.005   4.589
  560    HD1  TYR  75           HD1      TYR  75  -7.649   5.794   6.358
  561    HD2  TYR  75           HD2      TYR  75  -6.718   4.145   2.548
  562    HE1  TYR  75           HE1      TYR  75  -8.213   7.934   5.312
  563    HE2  TYR  75           HE2      TYR  75  -7.293   6.287   1.479
  564    HH   TYR  75           HH       TYR  75  -8.580   8.374   1.919
  565    H    ILE  76           HN       ILE  76  -7.340   0.934   3.540
  566    HA   ILE  76           HA       ILE  76  -8.902   2.090   1.481
  567    HB   ILE  76           HB       ILE  76  -7.655  -0.667   1.623
  568   HG12  ILE  76          HG12      ILE  76  -6.587   1.878   0.380
  569   HG13  ILE  76          HG11      ILE  76  -6.055   1.205   1.917
  570   HG21  ILE  76          HG21      ILE  76  -7.788  -0.592  -0.845
  571   HG22  ILE  76          HG22      ILE  76  -8.608   0.967  -0.748
  572   HG23  ILE  76          HG23      ILE  76  -9.390  -0.482  -0.113
  573   HD11  ILE  76          HD11      ILE  76  -5.236  -0.775   0.765
  574   HD12  ILE  76          HD12      ILE  76  -4.494   0.698   0.137
  575   HD13  ILE  76          HD13      ILE  76  -5.779  -0.105  -0.774
  576    H    LEU  77           HN       LEU  77  -9.372  -0.665   3.600
  577    HA   LEU  77           HA       LEU  77 -11.807  -1.511   2.422
  578    HB2  LEU  77           HB2      LEU  77 -10.403  -2.857   3.995
  579    HB3  LEU  77           HB1      LEU  77 -10.956  -1.822   5.299
  580    HG   LEU  77           HG       LEU  77 -13.294  -2.537   4.721
  581   HD11  LEU  77          HD11      LEU  77 -13.585  -4.615   3.512
  582   HD12  LEU  77          HD12      LEU  77 -11.871  -4.606   3.095
  583   HD13  LEU  77          HD13      LEU  77 -12.932  -3.330   2.497
  584   HD21  LEU  77          HD21      LEU  77 -13.109  -4.662   5.905
  585   HD22  LEU  77          HD22      LEU  77 -12.125  -3.405   6.652
  586   HD23  LEU  77          HD23      LEU  77 -11.365  -4.643   5.650
  587    H    ASP  78           HN       ASP  78 -10.984   0.986   4.534
  588    HA   ASP  78           HA       ASP  78 -13.707   1.495   5.478
  589    HB2  ASP  78           HB2      ASP  78 -11.807   1.980   6.978
  590    HB3  ASP  78           HB1      ASP  78 -11.198   3.162   5.827
  591    H    HIS  79           HN       HIS  79 -11.396   2.908   3.282
  592    HA   HIS  79           HA       HIS  79 -13.196   5.046   2.483
  593    HB2  HIS  79           HB2      HIS  79 -10.406   4.754   2.638
  594    HB3  HIS  79           HB1      HIS  79 -10.787   4.930   0.927
  595    HD1  HIS  79           HD1      HIS  79 -11.252   7.260   0.115
  596    HD2  HIS  79           HD2      HIS  79 -11.373   6.950   4.252
  597    HE1  HIS  79           HE1      HIS  79 -11.397   9.614   0.963
  598    HE2  HIS  79           HE2      HIS  79 -11.112   9.375   3.454
  599    H    GLN  80           HN       GLN  80 -13.029   1.945   1.670
  600    HA   GLN  80           HA       GLN  80 -12.827   1.330  -0.877
  601    HB2  GLN  80           HB2      GLN  80 -14.956   0.694   1.045
  602    HB3  GLN  80           HB1      GLN  80 -15.063   0.030  -0.595
  603    HG2  GLN  80           HG2      GLN  80 -12.873  -0.334   1.425
  604    HG3  GLN  80           HG1      GLN  80 -14.085  -1.529   0.965
  605   HE21  GLN  80          HE21      GLN  80 -11.208  -1.598   0.834
  606   HE22  GLN  80          HE22      GLN  80 -10.793  -1.909  -0.809
  607    H    ALA  81           HN       ALA  81 -13.662   1.602  -2.797
  608    HA   ALA  81           HA       ALA  81 -16.045   3.213  -3.102
  609    HB1  ALA  81           HB1      ALA  81 -14.098   4.593  -3.637
  610    HB2  ALA  81           HB2      ALA  81 -14.996   4.211  -5.109
  611    HB3  ALA  81           HB3      ALA  81 -13.502   3.349  -4.736
  612    H2   SHW 101           H2A      SHW 101   2.129   5.705   1.953
  613    H2A  SHW 101           H2B      SHW 101   3.759   5.276   1.454
  614    H3   SHW 101           H3A      SHW 101   2.225   4.021   3.775
  615    HO3  SHW 101           HO3      SHW 101   4.715   3.362   2.607
  616    H4   SHW 101           H4A      SHW 101   2.273   2.003   2.392
  617    H4A  SHW 101           H4B      SHW 101   3.120   2.862   1.117
  618    H5   SHW 101           H5A      SHW 101   1.158   4.274   0.776
  619    H5A  SHW 101           H5B      SHW 101   0.305   3.343   2.010
  620    H6   SHW 101           H6A      SHW 101   0.556   1.318   0.697
  621    H6A  SHW 101           H6B      SHW 101   1.482   2.195  -0.519
  622    H7   SHW 101           H7A      SHW 101  -0.806   1.900  -1.284
  623    H7A  SHW 101           H7B      SHW 101  -0.500   3.617  -0.964
  624    H8   SHW 101           H8C      SHW 101  -2.675   2.910  -0.094
  625    H8A  SHW 101           H8A      SHW 101  -1.591   3.387   1.214
  626    H8B  SHW 101           H8B      SHW 101  -1.881   1.679   0.889
  627    H28  SHW 101          H28A      SHW 101  12.246  11.373   1.863
  628   H28A  SHW 101          H28B      SHW 101  12.539  10.841   0.213
  629    H30  SHW 101          H30A      SHW 101   9.684  13.288   0.198
  630   H30A  SHW 101          H30B      SHW 101  11.370  13.051  -0.263
  631   H30B  SHW 101          H30C      SHW 101  10.938  13.249   1.435
  632    H31  SHW 101          H31A      SHW 101  10.796  11.075  -1.486
  633   H31A  SHW 101          H31B      SHW 101   9.090  11.177  -1.043
  634   H31B  SHW 101          H31C      SHW 101  10.002   9.708  -0.703
  635    H32  SHW 101          H32A      SHW 101   9.677  11.110   2.677
  636   HO33  SHW 101          H33A      SHW 101   7.455  11.412   1.227
  637   HN36  SHW 101          H36A      SHW 101  10.398   8.952   1.901
  638    H37  SHW 101          H37A      SHW 101   8.062   7.122   1.566
  639   H37A  SHW 101          H37B      SHW 101   9.589   6.872   0.758
  640    H38  SHW 101          H38A      SHW 101   9.612   5.404   2.533
  641   H38A  SHW 101          H38B      SHW 101  10.709   6.723   3.019
  642   HN41  SHW 101          H41A      SHW 101   7.687   7.906   3.236
  643    H42  SHW 101          H42A      SHW 101   7.051   6.868   5.882
  644   H42A  SHW 101          H42B      SHW 101   7.142   8.617   5.574
  645    H43  SHW 101          H43A      SHW 101   5.380   8.444   3.935
  646   H43A  SHW 101          H43B      SHW 101   4.816   7.704   5.453
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1 -16.314  -0.891  -3.208
    2    H2   ALA   1           HT2      ALA   1 -16.452  -2.413  -3.916
    3    H3   ALA   1           HT3      ALA   1 -14.996  -1.612  -3.977
    4    HA   ALA   1           HA       ALA   1 -14.686  -1.842  -1.601
    5    HB1  ALA   1           HB1      ALA   1 -17.208  -3.498  -1.766
    6    HB2  ALA   1           HB2      ALA   1 -17.069  -1.927  -0.977
    7    HB3  ALA   1           HB3      ALA   1 -16.180  -3.315  -0.345
    8    H    ALA   2           HN       ALA   2 -13.416  -3.800  -0.810
    9    HA   ALA   2           HA       ALA   2 -13.393  -5.914  -2.742
   10    HB1  ALA   2           HB1      ALA   2 -11.810  -4.299  -3.676
   11    HB2  ALA   2           HB2      ALA   2 -10.948  -5.675  -2.993
   12    HB3  ALA   2           HB3      ALA   2 -11.017  -4.150  -2.108
   13    H    THR   3           HN       THR   3 -12.270  -7.733  -1.777
   14    HA   THR   3           HA       THR   3 -12.627  -7.800   1.019
   15    HB   THR   3           HB       THR   3 -11.509  -9.986   0.953
   16    HG1  THR   3           HG1      THR   3 -11.001 -10.370  -1.619
   17   HG21  THR   3          HG21      THR   3 -12.952 -11.129  -0.679
   18   HG22  THR   3          HG22      THR   3 -13.320  -9.570  -1.428
   19   HG23  THR   3          HG23      THR   3 -13.837  -9.899   0.222
   20    H    GLN   4           HN       GLN   4 -10.850  -8.159   2.520
   21    HA   GLN   4           HA       GLN   4  -9.021  -6.051   2.178
   22    HB2  GLN   4           HB2      GLN   4  -9.231  -8.147   4.301
   23    HB3  GLN   4           HB1      GLN   4  -8.148  -6.754   4.377
   24    HG2  GLN   4           HG2      GLN   4 -10.088  -5.272   4.109
   25    HG3  GLN   4           HG1      GLN   4 -11.142  -6.631   4.121
   26   HE21  GLN   4          HE21      GLN   4  -9.003  -4.711   6.068
   27   HE22  GLN   4          HE22      GLN   4  -9.511  -5.299   7.604
   28    H    GLU   5           HN       GLU   5  -9.002  -9.322   1.495
   29    HA   GLU   5           HA       GLU   5  -6.152  -9.786   1.372
   30    HB2  GLU   5           HB2      GLU   5  -8.459 -11.257   0.092
   31    HB3  GLU   5           HB1      GLU   5  -6.785 -11.773   0.003
   32    HG2  GLU   5           HG2      GLU   5  -6.771 -12.021   2.450
   33    HG3  GLU   5           HG1      GLU   5  -8.482 -11.581   2.473
   34    H    GLU   6           HN       GLU   6  -8.750  -8.975  -0.819
   35    HA   GLU   6           HA       GLU   6  -7.371  -8.878  -3.253
   36    HB2  GLU   6           HB2      GLU   6  -9.865  -8.753  -2.805
   37    HB3  GLU   6           HB1      GLU   6  -9.623  -7.085  -2.339
   38    HG2  GLU   6           HG2      GLU   6 -10.411  -6.981  -4.508
   39    HG3  GLU   6           HG1      GLU   6  -8.667  -6.779  -4.685
   40    H    ILE   7           HN       ILE   7  -7.886  -6.568  -0.704
   41    HA   ILE   7           HA       ILE   7  -6.728  -4.282  -1.857
   42    HB   ILE   7           HB       ILE   7  -6.774  -5.121   1.044
   43   HG12  ILE   7          HG12      ILE   7  -8.823  -3.608  -0.605
   44   HG13  ILE   7          HG11      ILE   7  -8.977  -5.184   0.105
   45   HG21  ILE   7          HG21      ILE   7  -5.236  -3.283   0.599
   46   HG22  ILE   7          HG22      ILE   7  -6.643  -2.699   1.489
   47   HG23  ILE   7          HG23      ILE   7  -6.507  -2.398  -0.243
   48   HD11  ILE   7          HD11      ILE   7  -8.699  -2.643   1.680
   49   HD12  ILE   7          HD12      ILE   7  -8.892  -4.268   2.337
   50   HD13  ILE   7          HD13      ILE   7 -10.192  -3.544   1.403
   51    H    VAL   8           HN       VAL   8  -5.357  -6.487   0.571
   52    HA   VAL   8           HA       VAL   8  -2.746  -5.682   0.429
   53    HB   VAL   8           HB       VAL   8  -3.959  -8.357   1.136
   54   HG11  VAL   8          HG11      VAL   8  -1.806  -8.896   2.202
   55   HG12  VAL   8          HG12      VAL   8  -1.109  -7.426   1.469
   56   HG13  VAL   8          HG13      VAL   8  -1.713  -8.739   0.444
   57   HG21  VAL   8          HG21      VAL   8  -4.559  -6.455   2.562
   58   HG22  VAL   8          HG22      VAL   8  -2.869  -6.075   2.790
   59   HG23  VAL   8          HG23      VAL   8  -3.522  -7.582   3.439
   60    H    ALA   9           HN       ALA   9  -4.376  -8.109  -1.553
   61    HA   ALA   9           HA       ALA   9  -2.134  -8.992  -3.027
   62    HB1  ALA   9           HB1      ALA   9  -5.026  -8.891  -3.902
   63    HB2  ALA   9           HB2      ALA   9  -4.269 -10.211  -3.010
   64    HB3  ALA   9           HB3      ALA   9  -3.754  -9.851  -4.659
   65    H    GLY  10           HN       GLY  10  -4.431  -6.387  -3.539
   66    HA2  GLY  10           HA2      GLY  10  -3.484  -5.476  -6.034
   67    HA3  GLY  10           HA1      GLY  10  -4.382  -4.529  -4.844
   68    H    LEU  11           HN       LEU  11  -2.711  -4.679  -2.720
   69    HA   LEU  11           HA       LEU  11  -0.774  -2.726  -3.273
   70    HB2  LEU  11           HB2      LEU  11  -1.045  -4.627  -0.953
   71    HB3  LEU  11           HB1      LEU  11   0.119  -3.324  -1.016
   72    HG   LEU  11           HG       LEU  11  -2.881  -2.972  -1.062
   73   HD11  LEU  11          HD11      LEU  11  -2.601  -2.127   1.218
   74   HD12  LEU  11          HD12      LEU  11  -0.887  -2.530   1.158
   75   HD13  LEU  11          HD13      LEU  11  -2.100  -3.812   1.088
   76   HD21  LEU  11          HD21      LEU  11  -2.367  -0.605  -0.711
   77   HD22  LEU  11          HD22      LEU  11  -1.680  -1.190  -2.226
   78   HD23  LEU  11          HD23      LEU  11  -0.642  -0.960  -0.819
   79    H    ALA  12           HN       ALA  12  -0.519  -6.200  -2.763
   80    HA   ALA  12           HA       ALA  12   2.222  -6.472  -2.934
   81    HB1  ALA  12           HB1      ALA  12   0.174  -8.514  -3.803
   82    HB2  ALA  12           HB2      ALA  12   0.653  -8.211  -2.140
   83    HB3  ALA  12           HB3      ALA  12   1.826  -8.847  -3.272
   84    H    GLU  13           HN       GLU  13  -0.152  -6.574  -5.574
   85    HA   GLU  13           HA       GLU  13   1.802  -7.133  -7.559
   86    HB2  GLU  13           HB2      GLU  13   0.065  -6.428  -9.224
   87    HB3  GLU  13           HB1      GLU  13  -0.488  -7.658  -8.096
   88    HG2  GLU  13           HG2      GLU  13  -1.644  -5.984  -6.807
   89    HG3  GLU  13           HG1      GLU  13  -1.033  -4.721  -7.861
   90    H    ILE  14           HN       ILE  14   0.469  -4.142  -6.458
   91    HA   ILE  14           HA       ILE  14   1.760  -2.428  -8.239
   92    HB   ILE  14           HB       ILE  14   0.739  -2.080  -5.428
   93   HG12  ILE  14          HG12      ILE  14  -0.322  -1.101  -8.061
   94   HG13  ILE  14          HG11      ILE  14  -0.769  -2.630  -7.319
   95   HG21  ILE  14          HG21      ILE  14   1.701   0.070  -7.309
   96   HG22  ILE  14          HG22      ILE  14   2.482  -0.420  -5.804
   97   HG23  ILE  14          HG23      ILE  14   0.886   0.337  -5.762
   98   HD11  ILE  14          HD11      ILE  14  -1.174   0.087  -6.102
   99   HD12  ILE  14          HD12      ILE  14  -1.618  -1.494  -5.418
  100   HD13  ILE  14          HD13      ILE  14  -2.411  -0.920  -6.890
  101    H    VAL  15           HN       VAL  15   2.597  -3.447  -4.943
  102    HA   VAL  15           HA       VAL  15   5.026  -2.089  -4.756
  103    HB   VAL  15           HB       VAL  15   4.060  -4.546  -3.276
  104   HG11  VAL  15          HG11      VAL  15   6.407  -2.756  -2.608
  105   HG12  VAL  15          HG12      VAL  15   6.508  -4.433  -3.143
  106   HG13  VAL  15          HG13      VAL  15   5.774  -4.048  -1.588
  107   HG21  VAL  15          HG21      VAL  15   3.613  -2.957  -1.479
  108   HG22  VAL  15          HG22      VAL  15   2.706  -2.582  -2.944
  109   HG23  VAL  15          HG23      VAL  15   4.137  -1.639  -2.527
  110    H    ASN  16           HN       ASN  16   4.299  -5.315  -5.989
  111    HA   ASN  16           HA       ASN  16   6.984  -6.137  -6.151
  112    HB2  ASN  16           HB2      ASN  16   4.918  -7.595  -6.408
  113    HB3  ASN  16           HB1      ASN  16   4.831  -7.007  -8.063
  114   HD21  ASN  16          HD21      ASN  16   7.657  -7.871  -6.114
  115   HD22  ASN  16          HD22      ASN  16   8.240  -9.098  -7.162
  116    H    GLU  17           HN       GLU  17   4.918  -4.353  -8.336
  117    HA   GLU  17           HA       GLU  17   6.829  -4.406 -10.473
  118    HB2  GLU  17           HB2      GLU  17   4.417  -4.417 -10.873
  119    HB3  GLU  17           HB1      GLU  17   4.286  -2.833 -10.127
  120    HG2  GLU  17           HG2      GLU  17   5.527  -1.834 -11.899
  121    HG3  GLU  17           HG1      GLU  17   5.891  -3.414 -12.597
  122    H    ILE  18           HN       ILE  18   5.629  -1.930  -8.242
  123    HA   ILE  18           HA       ILE  18   7.392   0.073  -9.330
  124    HB   ILE  18           HB       ILE  18   5.531   0.136  -6.933
  125   HG12  ILE  18          HG12      ILE  18   5.372   1.581  -9.533
  126   HG13  ILE  18          HG11      ILE  18   4.570   0.007  -9.310
  127   HG21  ILE  18          HG21      ILE  18   7.409   1.646  -6.600
  128   HG22  ILE  18          HG22      ILE  18   5.908   2.521  -6.906
  129   HG23  ILE  18          HG23      ILE  18   7.115   2.361  -8.186
  130   HD11  ILE  18          HD11      ILE  18   3.246   1.084  -7.515
  131   HD12  ILE  18          HD12      ILE  18   3.022   1.852  -9.088
  132   HD13  ILE  18          HD13      ILE  18   4.053   2.608  -7.876
  133    H    ALA  19           HN       ALA  19   7.154  -1.571  -6.186
  134    HA   ALA  19           HA       ALA  19   9.581  -0.328  -5.216
  135    HB1  ALA  19           HB1      ALA  19   7.704  -0.773  -3.719
  136    HB2  ALA  19           HB2      ALA  19   9.155  -1.636  -3.207
  137    HB3  ALA  19           HB3      ALA  19   7.858  -2.502  -4.030
  138    H    GLY  20           HN       GLY  20   8.550  -3.459  -6.451
  139    HA2  GLY  20           HA2      GLY  20   9.969  -4.946  -7.607
  140    HA3  GLY  20           HA1      GLY  20  11.362  -4.165  -6.866
  141    H    ILE  21           HN       ILE  21   8.954  -4.686  -4.640
  142    HA   ILE  21           HA       ILE  21  10.503  -6.848  -3.442
  143    HB   ILE  21           HB       ILE  21   8.186  -5.248  -2.291
  144   HG12  ILE  21          HG12      ILE  21  10.153  -3.827  -2.638
  145   HG13  ILE  21          HG11      ILE  21   9.878  -4.089  -0.922
  146   HG21  ILE  21          HG21      ILE  21   8.825  -6.181  -0.115
  147   HG22  ILE  21          HG22      ILE  21  10.048  -7.176  -0.901
  148   HG23  ILE  21          HG23      ILE  21   8.344  -7.449  -1.243
  149   HD11  ILE  21          HD11      ILE  21  11.949  -5.478  -2.617
  150   HD12  ILE  21          HD12      ILE  21  11.681  -5.748  -0.895
  151   HD13  ILE  21          HD13      ILE  21  12.247  -4.176  -1.466
  152    HA   PRO  22           HA       PRO  22   7.961 -10.306  -4.859
  153    HB2  PRO  22           HB2      PRO  22   8.046 -11.197  -2.115
  154    HB3  PRO  22           HB1      PRO  22   8.834 -11.886  -3.535
  155    HG2  PRO  22           HG2      PRO  22   9.918 -10.063  -1.498
  156    HG3  PRO  22           HG1      PRO  22  10.780 -11.108  -2.642
  157    HD2  PRO  22           HD2      PRO  22  10.812  -8.443  -2.936
  158    HD3  PRO  22           HD1      PRO  22  10.679  -9.550  -4.336
  159    H    VAL  23           HN       VAL  23   5.946 -10.271  -5.212
  160    HA   VAL  23           HA       VAL  23   3.800  -9.010  -3.965
  161    HB   VAL  23           HB       VAL  23   3.863 -11.699  -5.403
  162   HG11  VAL  23          HG11      VAL  23   1.796 -11.503  -4.136
  163   HG12  VAL  23          HG12      VAL  23   1.499 -11.414  -5.870
  164   HG13  VAL  23          HG13      VAL  23   1.472  -9.942  -4.895
  165   HG21  VAL  23          HG21      VAL  23   3.238  -8.953  -6.429
  166   HG22  VAL  23          HG22      VAL  23   3.113 -10.451  -7.352
  167   HG23  VAL  23          HG23      VAL  23   4.685  -9.896  -6.774
  168    H    GLU  24           HN       GLU  24   5.425 -11.918  -3.289
  169    HA   GLU  24           HA       GLU  24   3.428 -12.864  -1.597
  170    HB2  GLU  24           HB2      GLU  24   6.157 -13.994  -2.135
  171    HB3  GLU  24           HB1      GLU  24   4.906 -14.819  -1.211
  172    HG2  GLU  24           HG2      GLU  24   3.494 -14.999  -3.093
  173    HG3  GLU  24           HG1      GLU  24   4.489 -13.880  -4.026
  174    H    ASP  25           HN       ASP  25   6.357 -11.060  -1.196
  175    HA   ASP  25           HA       ASP  25   6.552 -11.664   1.634
  176    HB2  ASP  25           HB2      ASP  25   8.629 -11.093   0.222
  177    HB3  ASP  25           HB1      ASP  25   8.025  -9.443   0.197
  178    H    VAL  26           HN       VAL  26   4.997  -9.530  -0.452
  179    HA   VAL  26           HA       VAL  26   4.362  -7.494   1.444
  180    HB   VAL  26           HB       VAL  26   2.963  -8.243  -1.154
  181   HG11  VAL  26          HG11      VAL  26   1.565  -6.919   0.318
  182   HG12  VAL  26          HG12      VAL  26   2.061  -6.019  -1.118
  183   HG13  VAL  26          HG13      VAL  26   2.840  -5.693   0.445
  184   HG21  VAL  26          HG21      VAL  26   5.069  -6.160  -0.614
  185   HG22  VAL  26          HG22      VAL  26   4.219  -6.399  -2.143
  186   HG23  VAL  26          HG23      VAL  26   5.292  -7.657  -1.523
  187    H    LYS  27           HN       LYS  27   3.883  -8.939   3.094
  188    HA   LYS  27           HA       LYS  27   1.310 -10.368   3.115
  189    HB2  LYS  27           HB2      LYS  27   3.480 -10.107   5.231
  190    HB3  LYS  27           HB1      LYS  27   2.124 -11.238   5.261
  191    HG2  LYS  27           HG2      LYS  27   2.984 -12.317   3.226
  192    HG3  LYS  27           HG1      LYS  27   4.325 -11.183   3.220
  193    HD2  LYS  27           HD2      LYS  27   5.133 -12.116   5.332
  194    HD3  LYS  27           HD1      LYS  27   3.768 -13.241   5.358
  195    HE2  LYS  27           HE2      LYS  27   4.503 -14.178   3.216
  196    HE3  LYS  27           HE1      LYS  27   5.877 -13.084   3.211
  197    HZ1  LYS  27           HZ1      LYS  27   6.702 -14.212   5.224
  198    HZ2  LYS  27           HZ2      LYS  27   6.504 -15.271   3.924
  199    HZ3  LYS  27           HZ3      LYS  27   5.381 -15.265   5.181
  200    H    LEU  28           HN       LEU  28   1.116  -9.705   6.110
  201    HA   LEU  28           HA       LEU  28  -0.161  -7.113   5.530
  202    HB2  LEU  28           HB2      LEU  28  -1.607  -9.186   5.856
  203    HB3  LEU  28           HB1      LEU  28  -1.114  -9.132   7.534
  204    HG   LEU  28           HG       LEU  28  -2.315  -6.706   6.358
  205   HD11  LEU  28          HD11      LEU  28  -3.839  -9.159   7.210
  206   HD12  LEU  28          HD12      LEU  28  -3.703  -8.519   5.567
  207   HD13  LEU  28          HD13      LEU  28  -4.565  -7.592   6.810
  208   HD21  LEU  28          HD21      LEU  28  -2.609  -8.069   9.044
  209   HD22  LEU  28          HD22      LEU  28  -3.315  -6.514   8.600
  210   HD23  LEU  28          HD23      LEU  28  -1.563  -6.691   8.692
  211    H    ASP  29           HN       ASP  29   2.110  -8.649   7.418
  212    HA   ASP  29           HA       ASP  29   2.049  -6.800   9.672
  213    HB2  ASP  29           HB2      ASP  29   2.680  -9.202   9.885
  214    HB3  ASP  29           HB1      ASP  29   4.080  -8.893   8.870
  215    H    LYS  30           HN       LYS  30   3.072  -6.777   6.620
  216    HA   LYS  30           HA       LYS  30   5.746  -5.775   6.827
  217    HB2  LYS  30           HB2      LYS  30   3.881  -5.862   4.542
  218    HB3  LYS  30           HB1      LYS  30   5.566  -5.406   4.411
  219    HG2  LYS  30           HG2      LYS  30   4.663  -8.061   5.516
  220    HG3  LYS  30           HG1      LYS  30   5.179  -7.806   3.842
  221    HD2  LYS  30           HD2      LYS  30   7.379  -7.000   4.683
  222    HD3  LYS  30           HD1      LYS  30   6.815  -7.289   6.309
  223    HE2  LYS  30           HE2      LYS  30   6.828  -9.609   6.079
  224    HE3  LYS  30           HE1      LYS  30   6.838  -9.527   4.319
  225    HZ1  LYS  30           HZ1      LYS  30   9.029 -10.116   5.471
  226    HZ2  LYS  30           HZ2      LYS  30   9.112  -8.473   5.896
  227    HZ3  LYS  30           HZ3      LYS  30   9.027  -8.949   4.265
  228    H    SER  31           HN       SER  31   6.249  -3.851   7.517
  229    HA   SER  31           HA       SER  31   4.561  -1.598   7.378
  230    HB2  SER  31           HB2      SER  31   7.424  -1.776   8.147
  231    HB3  SER  31           HB1      SER  31   6.113  -0.698   8.673
  232    HG   SER  31           HG       SER  31   5.960  -2.147  10.259
  233    H    PHE  32           HN       PHE  32   5.421  -2.494   4.694
  234    HA   PHE  32           HA       PHE  32   6.460  -1.835   2.805
  235    HB2  PHE  32           HB2      PHE  32   5.427   0.730   3.944
  236    HB3  PHE  32           HB1      PHE  32   6.279   0.719   2.408
  237    HD1  PHE  32           HD1      PHE  32   5.410  -0.908   0.611
  238    HD2  PHE  32           HD2      PHE  32   3.262   0.254   4.061
  239    HE1  PHE  32           HE1      PHE  32   3.298  -1.551  -0.510
  240    HE2  PHE  32           HE2      PHE  32   1.131  -0.390   2.954
  241    HZ   PHE  32           HZ       PHE  32   1.255  -1.425   0.581
  242    H    THR  33           HN       THR  33   7.682   1.271   3.640
  243    HA   THR  33           HA       THR  33  10.301   0.464   3.027
  244    HB   THR  33           HB       THR  33  10.366   3.048   3.974
  245    HG1  THR  33           HG1      THR  33   8.221   3.504   4.146
  246   HG21  THR  33          HG21      THR  33   9.624   1.998   1.224
  247   HG22  THR  33          HG22      THR  33  11.253   2.149   1.846
  248   HG23  THR  33          HG23      THR  33  10.279   3.597   1.568
  249    H    ASP  34           HN       ASP  34   9.446  -0.831   5.305
  250    HA   ASP  34           HA       ASP  34  11.591  -0.120   7.111
  251    HB2  ASP  34           HB2      ASP  34   9.775   0.927   8.231
  252    HB3  ASP  34           HB1      ASP  34   8.705  -0.427   7.906
  253    H    ASP  35           HN       ASP  35   8.888  -2.438   7.009
  254    HA   ASP  35           HA       ASP  35  10.713  -4.558   7.678
  255    HB2  ASP  35           HB2      ASP  35   8.174  -4.527   8.234
  256    HB3  ASP  35           HB1      ASP  35   7.962  -5.089   6.569
  257    H    LEU  36           HN       LEU  36   8.845  -3.794   4.729
  258    HA   LEU  36           HA       LEU  36  10.073  -5.786   3.101
  259    HB2  LEU  36           HB2      LEU  36   8.875  -3.131   2.237
  260    HB3  LEU  36           HB1      LEU  36   9.230  -4.479   1.183
  261    HG   LEU  36           HG       LEU  36   7.129  -4.504   3.355
  262   HD11  LEU  36          HD11      LEU  36   6.864  -4.193   0.368
  263   HD12  LEU  36          HD12      LEU  36   6.571  -2.934   1.571
  264   HD13  LEU  36          HD13      LEU  36   5.530  -4.354   1.510
  265   HD21  LEU  36          HD21      LEU  36   8.032  -6.710   2.809
  266   HD22  LEU  36          HD22      LEU  36   7.700  -6.420   1.102
  267   HD23  LEU  36          HD23      LEU  36   6.369  -6.528   2.255
  268    H    ASP  37           HN       ASP  37  10.498  -2.312   3.459
  269    HA   ASP  37           HA       ASP  37  12.232  -0.887   3.320
  270    HB2  ASP  37           HB2      ASP  37  13.457  -2.486   4.785
  271    HB3  ASP  37           HB1      ASP  37  14.008  -3.351   3.358
  272    H    VAL  38           HN       VAL  38  11.648  -0.142   1.339
  273    HA   VAL  38           HA       VAL  38  13.223  -1.328  -0.756
  274    HB   VAL  38           HB       VAL  38  11.029  -1.960  -1.173
  275   HG11  VAL  38          HG11      VAL  38  10.060   0.904  -1.024
  276   HG12  VAL  38          HG12      VAL  38   9.787  -0.354   0.165
  277   HG13  VAL  38          HG13      VAL  38   9.101  -0.512  -1.446
  278   HG21  VAL  38          HG21      VAL  38  10.604  -0.955  -3.384
  279   HG22  VAL  38          HG22      VAL  38  12.296  -1.378  -3.119
  280   HG23  VAL  38          HG23      VAL  38  11.778   0.302  -2.999
  281    H    ASP  39           HN       ASP  39  11.390   1.744  -0.925
  282    HA   ASP  39           HA       ASP  39  13.793   3.275  -1.222
  283    HB2  ASP  39           HB2      ASP  39  13.178   1.993  -3.538
  284    HB3  ASP  39           HB1      ASP  39  11.928   3.252  -3.479
  285    H    SER  40           HN       SER  40  12.924   5.384  -2.070
  286    HA   SER  40           HA       SER  40  10.687   6.079  -0.296
  287    HB2  SER  40           HB2      SER  40  12.813   7.238   0.089
  288    HB3  SER  40           HB1      SER  40  12.809   7.806  -1.585
  289    H    LEU  41           HN       LEU  41  11.907   6.304  -3.519
  290    HA   LEU  41           HA       LEU  41   9.836   8.119  -4.370
  291    HB2  LEU  41           HB2      LEU  41  11.935   6.704  -6.018
  292    HB3  LEU  41           HB1      LEU  41  10.930   8.042  -6.543
  293    HG   LEU  41           HG       LEU  41  13.076   8.139  -4.426
  294   HD11  LEU  41          HD11      LEU  41  12.940   9.386  -7.153
  295   HD12  LEU  41          HD12      LEU  41  13.953   8.026  -6.669
  296   HD13  LEU  41          HD13      LEU  41  14.224   9.622  -5.966
  297   HD21  LEU  41          HD21      LEU  41  11.244   9.621  -3.814
  298   HD22  LEU  41          HD22      LEU  41  11.270  10.354  -5.420
  299   HD23  LEU  41          HD23      LEU  41  12.646  10.553  -4.331
  300    H    SER  42           HN       SER  42  10.497   4.785  -4.326
  301    HA   SER  42           HA       SER  42   8.459   4.078  -6.195
  302    HB2  SER  42           HB2      SER  42   9.926   2.398  -4.150
  303    HB3  SER  42           HB1      SER  42   8.973   1.788  -5.503
  304    HG   SER  42           HG       SER  42  10.433   3.114  -6.827
  305    H    MET  43           HN       MET  43   8.683   4.763  -2.792
  306    HA   MET  43           HA       MET  43   6.402   3.338  -1.917
  307    HB2  MET  43           HB2      MET  43   8.220   4.125  -0.441
  308    HB3  MET  43           HB1      MET  43   7.693   5.785  -0.711
  309    HG2  MET  43           HG2      MET  43   6.948   4.787   1.410
  310    HG3  MET  43           HG1      MET  43   5.626   5.373   0.381
  311    HE1  MET  43           HE1      MET  43   7.731   2.244  -0.288
  312    HE2  MET  43           HE2      MET  43   6.847   0.936   0.533
  313    HE3  MET  43           HE3      MET  43   7.662   2.177   1.474
  314    H    VAL  44           HN       VAL  44   6.971   6.601  -3.058
  315    HA   VAL  44           HA       VAL  44   4.424   7.628  -2.546
  316    HB   VAL  44           HB       VAL  44   6.446   8.543  -4.614
  317   HG11  VAL  44          HG11      VAL  44   5.404  10.736  -4.346
  318   HG12  VAL  44          HG12      VAL  44   4.230  10.042  -3.232
  319   HG13  VAL  44          HG13      VAL  44   4.249   9.536  -4.921
  320   HG21  VAL  44          HG21      VAL  44   6.176   9.347  -1.714
  321   HG22  VAL  44          HG22      VAL  44   7.277  10.080  -2.884
  322   HG23  VAL  44          HG23      VAL  44   7.483   8.398  -2.412
  323    H    GLU  45           HN       GLU  45   5.885   5.936  -5.331
  324    HA   GLU  45           HA       GLU  45   3.775   6.349  -7.128
  325    HB2  GLU  45           HB2      GLU  45   5.886   4.236  -6.897
  326    HB3  GLU  45           HB1      GLU  45   4.776   4.355  -8.257
  327    HG2  GLU  45           HG2      GLU  45   6.666   6.495  -7.385
  328    HG3  GLU  45           HG1      GLU  45   7.011   5.316  -8.655
  329    H    VAL  46           HN       VAL  46   4.438   3.929  -4.653
  330    HA   VAL  46           HA       VAL  46   2.350   2.173  -5.290
  331    HB   VAL  46           HB       VAL  46   3.496   2.775  -2.523
  332   HG11  VAL  46          HG11      VAL  46   1.323   1.660  -2.354
  333   HG12  VAL  46          HG12      VAL  46   2.621   0.569  -1.872
  334   HG13  VAL  46          HG13      VAL  46   1.874   0.401  -3.460
  335   HG21  VAL  46          HG21      VAL  46   4.180   0.602  -4.503
  336   HG22  VAL  46          HG22      VAL  46   4.837   0.745  -2.873
  337   HG23  VAL  46          HG23      VAL  46   5.191   1.983  -4.081
  338    H    VAL  47           HN       VAL  47   2.448   4.985  -3.174
  339    HA   VAL  47           HA       VAL  47  -0.199   5.135  -2.294
  340    HB   VAL  47           HB       VAL  47   1.574   7.444  -3.158
  341   HG11  VAL  47          HG11      VAL  47   0.312   8.781  -1.543
  342   HG12  VAL  47          HG12      VAL  47  -0.729   7.397  -1.214
  343   HG13  VAL  47          HG13      VAL  47  -0.730   8.139  -2.813
  344   HG21  VAL  47          HG21      VAL  47   2.737   6.013  -1.586
  345   HG22  VAL  47          HG22      VAL  47   1.367   6.083  -0.476
  346   HG23  VAL  47          HG23      VAL  47   2.302   7.539  -0.818
  347    H    VAL  48           HN       VAL  48   1.183   6.965  -4.991
  348    HA   VAL  48           HA       VAL  48  -0.951   7.877  -6.434
  349    HB   VAL  48           HB       VAL  48   1.435   6.474  -7.696
  350   HG11  VAL  48          HG11      VAL  48  -0.439   8.526  -8.877
  351   HG12  VAL  48          HG12      VAL  48  -0.345   6.823  -9.320
  352   HG13  VAL  48          HG13      VAL  48   1.017   7.895  -9.650
  353   HG21  VAL  48          HG21      VAL  48   2.420   8.705  -7.858
  354   HG22  VAL  48          HG22      VAL  48   2.129   8.233  -6.184
  355   HG23  VAL  48          HG23      VAL  48   1.041   9.371  -6.980
  356    H    ALA  49           HN       ALA  49   0.471   4.659  -7.070
  357    HA   ALA  49           HA       ALA  49  -1.501   3.833  -8.870
  358    HB1  ALA  49           HB1      ALA  49   0.317   2.090  -7.228
  359    HB2  ALA  49           HB2      ALA  49   0.734   2.844  -8.767
  360    HB3  ALA  49           HB3      ALA  49  -0.539   1.626  -8.699
  361    H    ALA  50           HN       ALA  50  -1.266   3.334  -5.358
  362    HA   ALA  50           HA       ALA  50  -3.330   1.468  -5.100
  363    HB1  ALA  50           HB1      ALA  50  -3.437   2.125  -2.758
  364    HB2  ALA  50           HB2      ALA  50  -2.524   3.592  -3.116
  365    HB3  ALA  50           HB3      ALA  50  -1.757   2.015  -3.292
  366    H    GLU  51           HN       GLU  51  -3.437   4.998  -5.257
  367    HA   GLU  51           HA       GLU  51  -6.112   5.388  -4.610
  368    HB2  GLU  51           HB2      GLU  51  -4.433   6.908  -6.594
  369    HB3  GLU  51           HB1      GLU  51  -5.942   7.451  -5.884
  370    HG2  GLU  51           HG2      GLU  51  -4.727   7.242  -3.642
  371    HG3  GLU  51           HG1      GLU  51  -3.267   7.137  -4.599
  372    H    GLU  52           HN       GLU  52  -4.539   4.616  -7.616
  373    HA   GLU  52           HA       GLU  52  -6.907   4.857  -9.226
  374    HB2  GLU  52           HB2      GLU  52  -4.713   5.485 -10.050
  375    HB3  GLU  52           HB1      GLU  52  -4.126   3.855  -9.796
  376    HG2  GLU  52           HG2      GLU  52  -5.640   3.042 -11.520
  377    HG3  GLU  52           HG1      GLU  52  -6.235   4.687 -11.769
  378    H    ARG  53           HN       ARG  53  -4.987   2.246  -7.836
  379    HA   ARG  53           HA       ARG  53  -6.153   0.111  -9.343
  380    HB2  ARG  53           HB2      ARG  53  -3.888   0.003  -8.430
  381    HB3  ARG  53           HB1      ARG  53  -4.521   0.133  -6.804
  382    HG2  ARG  53           HG2      ARG  53  -3.887  -2.142  -7.275
  383    HG3  ARG  53           HG1      ARG  53  -5.638  -2.038  -7.085
  384    HD2  ARG  53           HD2      ARG  53  -5.886  -2.046  -9.536
  385    HD3  ARG  53           HD1      ARG  53  -4.117  -2.127  -9.669
  386    HE   ARG  53           HE       ARG  53  -4.122  -4.292  -9.019
  387   HH11  ARG  53          HH11      ARG  53  -7.483  -3.129  -9.227
  388   HH12  ARG  53          HH12      ARG  53  -8.135  -4.636  -8.742
  389   HH21  ARG  53          HH21      ARG  53  -5.037  -6.300  -8.461
  390   HH22  ARG  53          HH22      ARG  53  -6.739  -6.524  -8.406
  391    H    PHE  54           HN       PHE  54  -6.704   1.535  -6.209
  392    HA   PHE  54           HA       PHE  54  -8.775  -0.459  -5.735
  393    HB2  PHE  54           HB2      PHE  54  -7.580   1.603  -3.903
  394    HB3  PHE  54           HB1      PHE  54  -8.810   0.432  -3.454
  395    HD1  PHE  54           HD1      PHE  54  -7.817  -1.990  -4.792
  396    HD2  PHE  54           HD2      PHE  54  -5.723   1.029  -2.654
  397    HE1  PHE  54           HE1      PHE  54  -6.067  -3.604  -4.228
  398    HE2  PHE  54           HE2      PHE  54  -3.976  -0.608  -2.063
  399    HZ   PHE  54           HZ       PHE  54  -4.142  -2.904  -2.874
  400    H    ASP  55           HN       ASP  55  -8.367   2.718  -6.798
  401    HA   ASP  55           HA       ASP  55  -9.704   4.430  -7.372
  402    HB2  ASP  55           HB2      ASP  55 -11.044   2.492  -8.397
  403    HB3  ASP  55           HB1      ASP  55 -12.032   2.546  -6.962
  404    H    VAL  56           HN       VAL  56  -9.248   3.526  -4.530
  405    HA   VAL  56           HA       VAL  56 -11.486   4.712  -3.105
  406    HB   VAL  56           HB       VAL  56 -10.366   4.085  -1.031
  407   HG11  VAL  56          HG11      VAL  56 -10.352   1.848  -3.038
  408   HG12  VAL  56          HG12      VAL  56 -11.754   2.452  -2.149
  409   HG13  VAL  56          HG13      VAL  56 -10.416   1.679  -1.278
  410   HG21  VAL  56          HG21      VAL  56  -8.052   4.429  -1.681
  411   HG22  VAL  56          HG22      VAL  56  -8.142   3.056  -2.787
  412   HG23  VAL  56          HG23      VAL  56  -8.277   2.797  -1.047
  413    H    LYS  57           HN       LYS  57  -8.654   5.691  -4.416
  414    HA   LYS  57           HA       LYS  57  -7.250   7.441  -4.284
  415    HB2  LYS  57           HB2      LYS  57  -9.657   8.924  -3.216
  416    HB3  LYS  57           HB1      LYS  57  -8.237   9.639  -3.958
  417    HG2  LYS  57           HG2      LYS  57 -10.309   7.911  -5.302
  418    HG3  LYS  57           HG1      LYS  57 -10.067   9.640  -5.515
  419    HD2  LYS  57           HD2      LYS  57  -8.116   7.464  -6.293
  420    HD3  LYS  57           HD1      LYS  57  -9.161   8.345  -7.397
  421    HE2  LYS  57           HE2      LYS  57  -6.879   9.453  -5.758
  422    HE3  LYS  57           HE1      LYS  57  -6.923   9.244  -7.502
  423    HZ1  LYS  57           HZ1      LYS  57  -8.401  11.198  -5.854
  424    HZ2  LYS  57           HZ2      LYS  57  -8.870  10.858  -7.434
  425    HZ3  LYS  57           HZ3      LYS  57  -7.305  11.476  -7.114
  426    H    ILE  58           HN       ILE  58  -5.848   6.672  -2.766
  427    HA   ILE  58           HA       ILE  58  -6.111   7.546   0.020
  428    HB   ILE  58           HB       ILE  58  -3.829   6.012  -1.236
  429   HG12  ILE  58          HG12      ILE  58  -6.248   4.811   0.102
  430   HG13  ILE  58          HG11      ILE  58  -5.979   4.828  -1.635
  431   HG21  ILE  58          HG21      ILE  58  -3.398   6.989   0.960
  432   HG22  ILE  58          HG22      ILE  58  -3.466   5.229   1.067
  433   HG23  ILE  58          HG23      ILE  58  -4.836   6.192   1.608
  434   HD11  ILE  58          HD11      ILE  58  -5.364   2.695  -0.667
  435   HD12  ILE  58          HD12      ILE  58  -4.211   3.501   0.397
  436   HD13  ILE  58          HD13      ILE  58  -3.963   3.517  -1.351
  437    HA   PRO  59           HA       PRO  59  -3.550  10.799  -1.887
  438    HB2  PRO  59           HB2      PRO  59  -4.009  12.722  -0.030
  439    HB3  PRO  59           HB1      PRO  59  -5.145  12.372  -1.337
  440    HG2  PRO  59           HG2      PRO  59  -5.231  11.547   1.525
  441    HG3  PRO  59           HG1      PRO  59  -6.551  12.063   0.461
  442    HD2  PRO  59           HD2      PRO  59  -6.003   9.452   1.073
  443    HD3  PRO  59           HD1      PRO  59  -6.815   9.968  -0.419
  444    H    ASP  60           HN       ASP  60  -1.482  11.402  -1.479
  445    HA   ASP  60           HA       ASP  60   0.312  10.210   0.111
  446    HB2  ASP  60           HB2      ASP  60   0.369  13.148  -0.594
  447    HB3  ASP  60           HB1      ASP  60   1.747  12.182  -0.088
  448    H    ASP  61           HN       ASP  61  -1.710  12.853   1.053
  449    HA   ASP  61           HA       ASP  61  -0.504  13.531   3.506
  450    HB2  ASP  61           HB2      ASP  61  -2.246  14.910   2.406
  451    HB3  ASP  61           HB1      ASP  61  -3.449  13.706   2.847
  452    H    ASP  62           HN       ASP  62  -3.318  11.436   2.915
  453    HA   ASP  62           HA       ASP  62  -3.442  10.598   5.688
  454    HB2  ASP  62           HB2      ASP  62  -4.877   9.451   3.300
  455    HB3  ASP  62           HB1      ASP  62  -5.156   8.974   4.964
  456    H    VAL  63           HN       VAL  63  -1.997   9.435   2.831
  457    HA   VAL  63           HA       VAL  63  -1.735   6.757   3.587
  458    HB   VAL  63           HB       VAL  63  -1.228   7.963   1.308
  459   HG11  VAL  63          HG11      VAL  63   1.531   7.868   2.466
  460   HG12  VAL  63          HG12      VAL  63   0.627   9.301   1.980
  461   HG13  VAL  63          HG13      VAL  63   1.138   8.127   0.766
  462   HG21  VAL  63          HG21      VAL  63   0.290   5.555   2.218
  463   HG22  VAL  63          HG22      VAL  63   0.027   6.053   0.538
  464   HG23  VAL  63          HG23      VAL  63  -1.349   5.609   1.553
  465    H    LYS  64           HN       LYS  64  -0.125   9.553   4.685
  466    HA   LYS  64           HA       LYS  64   2.242   8.357   5.610
  467    HB2  LYS  64           HB2      LYS  64   0.941  10.945   6.441
  468    HB3  LYS  64           HB1      LYS  64   2.579  10.459   6.867
  469    HG2  LYS  64           HG2      LYS  64   3.125  10.365   4.457
  470    HG3  LYS  64           HG1      LYS  64   1.501  10.957   4.114
  471    HD2  LYS  64           HD2      LYS  64   3.593  12.428   5.730
  472    HD3  LYS  64           HD1      LYS  64   3.203  12.743   4.039
  473    HE2  LYS  64           HE2      LYS  64   0.882  13.253   4.734
  474    HE3  LYS  64           HE1      LYS  64   1.379  13.053   6.411
  475    HZ1  LYS  64           HZ1      LYS  64   1.367  15.364   5.749
  476    HZ2  LYS  64           HZ2      LYS  64   2.469  15.062   4.515
  477    HZ3  LYS  64           HZ3      LYS  64   2.942  14.877   6.134
  478    H    ASN  65           HN       ASN  65  -0.858   8.043   6.679
  479    HA   ASN  65           HA       ASN  65  -0.161   7.717   9.524
  480    HB2  ASN  65           HB2      ASN  65  -2.858   7.740   8.158
  481    HB3  ASN  65           HB1      ASN  65  -2.585   7.622   9.888
  482   HD21  ASN  65          HD21      ASN  65  -2.533   9.649   7.128
  483   HD22  ASN  65          HD22      ASN  65  -2.439  11.171   7.937
  484    H    LEU  66           HN       LEU  66  -0.138   5.964   6.805
  485    HA   LEU  66           HA       LEU  66  -1.593   3.675   7.841
  486    HB2  LEU  66           HB2      LEU  66  -0.150   3.983   5.209
  487    HB3  LEU  66           HB1      LEU  66  -1.196   2.652   5.661
  488    HG   LEU  66           HG       LEU  66  -2.026   5.517   5.223
  489   HD11  LEU  66          HD11      LEU  66  -2.655   3.011   3.691
  490   HD12  LEU  66          HD12      LEU  66  -1.593   4.319   3.172
  491   HD13  LEU  66          HD13      LEU  66  -3.320   4.613   3.370
  492   HD21  LEU  66          HD21      LEU  66  -3.312   4.541   7.042
  493   HD22  LEU  66          HD22      LEU  66  -3.694   3.143   6.036
  494   HD23  LEU  66          HD23      LEU  66  -4.312   4.735   5.602
  495    H    LYS  67           HN       LYS  67   1.596   4.139   6.408
  496    HA   LYS  67           HA       LYS  67   3.421   3.098   6.505
  497    HB2  LYS  67           HB2      LYS  67   4.599   2.920   8.755
  498    HB3  LYS  67           HB1      LYS  67   4.055   4.485   8.218
  499    HG2  LYS  67           HG2      LYS  67   3.406   4.666  10.372
  500    HG3  LYS  67           HG1      LYS  67   1.988   3.781   9.825
  501    HD2  LYS  67           HD2      LYS  67   4.430   2.350  10.859
  502    HD3  LYS  67           HD1      LYS  67   3.228   2.999  11.967
  503    HE2  LYS  67           HE2      LYS  67   2.567   1.151   9.723
  504    HE3  LYS  67           HE1      LYS  67   2.999   0.562  11.349
  505    HZ1  LYS  67           HZ1      LYS  67   1.122   1.805  12.210
  506    HZ2  LYS  67           HZ2      LYS  67   0.563   0.729  11.039
  507    HZ3  LYS  67           HZ3      LYS  67   0.722   2.368  10.685
  508    H    THR  68           HN       THR  68   1.037   1.021   7.164
  509    HA   THR  68           HA       THR  68   2.972  -1.068   6.477
  510    HB   THR  68           HB       THR  68   1.507  -2.776   7.512
  511    HG1  THR  68           HG1      THR  68   0.302  -1.017   9.299
  512   HG21  THR  68          HG21      THR  68   2.215  -2.476   9.876
  513   HG22  THR  68          HG22      THR  68   2.821  -0.863   9.444
  514   HG23  THR  68          HG23      THR  68   3.494  -2.304   8.686
  515    H    VAL  69           HN       VAL  69   1.840  -2.914   5.531
  516    HA   VAL  69           HA       VAL  69   0.044  -2.231   3.466
  517    HB   VAL  69           HB       VAL  69  -0.185  -4.852   3.405
  518   HG11  VAL  69          HG11      VAL  69   2.528  -3.535   3.068
  519   HG12  VAL  69          HG12      VAL  69   1.247  -3.537   1.855
  520   HG13  VAL  69          HG13      VAL  69   2.019  -5.053   2.326
  521   HG21  VAL  69          HG21      VAL  69   2.122  -4.483   5.275
  522   HG22  VAL  69          HG22      VAL  69   1.635  -5.996   4.514
  523   HG23  VAL  69          HG23      VAL  69   0.562  -5.198   5.667
  524    H    GLY  70           HN       GLY  70  -0.333  -3.954   6.557
  525    HA2  GLY  70           HA2      GLY  70  -3.055  -4.550   6.331
  526    HA3  GLY  70           HA1      GLY  70  -2.149  -4.467   7.836
  527    H    ASP  71           HN       ASP  71  -1.438  -1.755   7.832
  528    HA   ASP  71           HA       ASP  71  -3.918  -0.615   8.651
  529    HB2  ASP  71           HB2      ASP  71  -1.206   0.710   8.366
  530    HB3  ASP  71           HB1      ASP  71  -2.631   1.519   9.004
  531    H    ALA  72           HN       ALA  72  -1.953  -0.356   5.769
  532    HA   ALA  72           HA       ALA  72  -3.364   1.714   4.518
  533    HB1  ALA  72           HB1      ALA  72  -1.274   0.801   3.590
  534    HB2  ALA  72           HB2      ALA  72  -2.571   0.748   2.395
  535    HB3  ALA  72           HB3      ALA  72  -2.091  -0.723   3.242
  536    H    THR  73           HN       THR  73  -3.753  -1.803   4.078
  537    HA   THR  73           HA       THR  73  -6.111  -2.039   2.856
  538    HB   THR  73           HB       THR  73  -5.129  -3.633   5.218
  539    HG1  THR  73           HG1      THR  73  -3.568  -3.751   3.694
  540   HG21  THR  73          HG21      THR  73  -6.991  -4.410   2.971
  541   HG22  THR  73          HG22      THR  73  -7.502  -4.074   4.609
  542   HG23  THR  73          HG23      THR  73  -6.459  -5.470   4.282
  543    H    LYS  74           HN       LYS  74  -5.762  -1.435   6.379
  544    HA   LYS  74           HA       LYS  74  -8.477  -1.581   7.031
  545    HB2  LYS  74           HB2      LYS  74  -6.819  -1.587   8.782
  546    HB3  LYS  74           HB1      LYS  74  -6.218  -0.013   8.291
  547    HG2  LYS  74           HG2      LYS  74  -7.530   0.124  10.334
  548    HG3  LYS  74           HG1      LYS  74  -8.284   1.031   9.024
  549    HD2  LYS  74           HD2      LYS  74  -9.809  -0.886   8.640
  550    HD3  LYS  74           HD1      LYS  74  -9.090  -1.698  10.037
  551    HE2  LYS  74           HE2      LYS  74 -10.430   1.003  10.117
  552    HE3  LYS  74           HE1      LYS  74 -11.206  -0.514  10.560
  553    HZ1  LYS  74           HZ1      LYS  74  -8.689   0.246  11.907
  554    HZ2  LYS  74           HZ2      LYS  74  -9.989  -0.672  12.477
  555    HZ3  LYS  74           HZ3      LYS  74 -10.129   1.014  12.312
  556    H    TYR  75           HN       TYR  75  -6.545   1.106   5.873
  557    HA   TYR  75           HA       TYR  75  -8.613   3.075   6.069
  558    HB2  TYR  75           HB2      TYR  75  -6.276   3.744   6.126
  559    HB3  TYR  75           HB1      TYR  75  -5.984   2.990   4.569
  560    HD1  TYR  75           HD2      TYR  75  -6.711   4.108   2.497
  561    HD2  TYR  75           HD1      TYR  75  -7.349   5.903   6.301
  562    HE1  TYR  75           HE2      TYR  75  -7.184   6.269   1.406
  563    HE2  TYR  75           HE1      TYR  75  -7.817   8.043   5.233
  564    HH   TYR  75           HH       TYR  75  -8.371   8.396   1.894
  565    H    ILE  76           HN       ILE  76  -7.273   1.026   3.558
  566    HA   ILE  76           HA       ILE  76  -8.801   2.059   1.416
  567    HB   ILE  76           HB       ILE  76  -7.485  -0.660   1.728
  568   HG12  ILE  76          HG12      ILE  76  -6.454   1.821   0.361
  569   HG13  ILE  76          HG11      ILE  76  -6.036   1.379   2.009
  570   HG21  ILE  76          HG21      ILE  76  -8.355   0.849  -0.754
  571   HG22  ILE  76          HG22      ILE  76  -9.170  -0.559  -0.085
  572   HG23  ILE  76          HG23      ILE  76  -7.534  -0.713  -0.729
  573   HD11  ILE  76          HD11      ILE  76  -5.012  -0.669   1.198
  574   HD12  ILE  76          HD12      ILE  76  -4.295   0.759   0.445
  575   HD13  ILE  76          HD13      ILE  76  -5.445  -0.235  -0.455
  576    H    LEU  77           HN       LEU  77  -9.276  -0.674   3.599
  577    HA   LEU  77           HA       LEU  77 -11.686  -1.562   2.403
  578    HB2  LEU  77           HB2      LEU  77 -10.388  -2.900   4.049
  579    HB3  LEU  77           HB1      LEU  77 -10.903  -1.798   5.313
  580    HG   LEU  77           HG       LEU  77 -13.258  -2.379   4.546
  581   HD11  LEU  77          HD11      LEU  77 -13.598  -4.612   3.656
  582   HD12  LEU  77          HD12      LEU  77 -11.861  -4.722   3.365
  583   HD13  LEU  77          HD13      LEU  77 -12.818  -3.497   2.532
  584   HD21  LEU  77          HD21      LEU  77 -12.430  -2.986   6.725
  585   HD22  LEU  77          HD22      LEU  77 -11.611  -4.394   6.052
  586   HD23  LEU  77          HD23      LEU  77 -13.373  -4.318   6.058
  587    H    ASP  78           HN       ASP  78 -10.985   1.020   4.515
  588    HA   ASP  78           HA       ASP  78 -13.793   1.442   5.272
  589    HB2  ASP  78           HB2      ASP  78 -12.027   1.913   6.946
  590    HB3  ASP  78           HB1      ASP  78 -11.356   3.139   5.886
  591    H    HIS  79           HN       HIS  79 -11.406   2.752   3.167
  592    HA   HIS  79           HA       HIS  79 -13.032   5.017   2.324
  593    HB2  HIS  79           HB2      HIS  79 -10.318   4.531   2.597
  594    HB3  HIS  79           HB1      HIS  79 -10.567   4.514   0.860
  595    HD1  HIS  79           HD1      HIS  79 -10.534   6.789  -0.245
  596    HD2  HIS  79           HD2      HIS  79 -11.225   6.995   3.848
  597    HE1  HIS  79           HE1      HIS  79 -10.447   9.196   0.309
  598    HE2  HIS  79           HE2      HIS  79 -10.399   9.240   2.766
  599    H    GLN  80           HN       GLN  80 -12.984   1.810   1.551
  600    HA   GLN  80           HA       GLN  80 -12.748   1.217  -0.995
  601    HB2  GLN  80           HB2      GLN  80 -14.874   0.523   0.906
  602    HB3  GLN  80           HB1      GLN  80 -14.948  -0.115  -0.733
  603    HG2  GLN  80           HG2      GLN  80 -12.821  -0.501   1.358
  604    HG3  GLN  80           HG1      GLN  80 -13.948  -1.709   0.749
  605   HE21  GLN  80          HE21      GLN  80 -11.101  -1.704   0.815
  606   HE22  GLN  80          HE22      GLN  80 -10.558  -1.908  -0.809
  607    H    ALA  81           HN       ALA  81 -13.491   1.648  -2.932
  608    HA   ALA  81           HA       ALA  81 -15.912   3.251  -3.163
  609    HB1  ALA  81           HB1      ALA  81 -13.906   4.267  -4.141
  610    HB2  ALA  81           HB2      ALA  81 -15.040   3.794  -5.407
  611    HB3  ALA  81           HB3      ALA  81 -13.615   2.802  -5.083
  612    H2   SHW 101           H2A      SHW 101   2.786   6.326   3.992
  613    H2A  SHW 101           H2B      SHW 101   3.685   5.856   2.534
  614    H3   SHW 101           H3A      SHW 101   3.771   4.491   5.263
  615    HO3  SHW 101           HO3      SHW 101   4.821   3.495   2.803
  616    H4   SHW 101           H4A      SHW 101   1.620   4.160   4.163
  617    H4A  SHW 101           H4B      SHW 101   2.545   2.668   4.165
  618    H5   SHW 101           H5A      SHW 101   3.148   2.995   1.841
  619    H5A  SHW 101           H5B      SHW 101   2.286   4.535   1.821
  620    H6   SHW 101           H6A      SHW 101   0.194   3.355   2.344
  621    H6A  SHW 101           H6B      SHW 101   1.063   1.818   2.301
  622    H7   SHW 101           H7A      SHW 101   1.607   2.156  -0.045
  623    H7A  SHW 101           H7B      SHW 101   0.825   3.746  -0.013
  624    H8   SHW 101           H8C      SHW 101  -0.506   1.087   0.503
  625    H8A  SHW 101           H8A      SHW 101  -0.642   2.041  -0.975
  626    H8B  SHW 101           H8B      SHW 101  -1.300   2.663   0.539
  627    H28  SHW 101          H28A      SHW 101  12.130  10.005   2.622
  628   H28A  SHW 101          H28B      SHW 101  12.215   8.378   1.973
  629    H30  SHW 101          H30A      SHW 101  15.326   8.676   1.475
  630   H30A  SHW 101          H30B      SHW 101  14.502   7.202   1.983
  631   H30B  SHW 101          H30C      SHW 101  15.798   7.873   2.973
  632    H31  SHW 101          H31A      SHW 101  15.441  10.002   4.226
  633   H31A  SHW 101          H31B      SHW 101  13.887  10.835   4.116
  634   H31B  SHW 101          H31C      SHW 101  14.970  10.799   2.723
  635    H32  SHW 101          H32A      SHW 101  14.224   7.817   4.986
  636   HO33  SHW 101          H33A      SHW 101  11.833   9.289   4.713
  637   HN36  SHW 101          H36A      SHW 101  12.100   7.004   5.855
  638    H37  SHW 101          H37A      SHW 101  10.461   5.276   4.163
  639   H37A  SHW 101          H37B      SHW 101  11.714   4.401   5.016
  640    H38  SHW 101          H38A      SHW 101   9.720   4.200   6.255
  641   H38A  SHW 101          H38B      SHW 101  10.813   5.246   7.177
  642   HN41  SHW 101          H41A      SHW 101   9.194   6.588   4.388
  643    H42  SHW 101          H42A      SHW 101   6.849   7.542   5.756
  644   H42A  SHW 101          H42B      SHW 101   8.085   8.753   5.460
  645    H43  SHW 101          H43A      SHW 101   8.047   8.166   3.043
  646   H43A  SHW 101          H43B      SHW 101   6.544   8.838   3.671
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1 -16.984  -1.228   2.204
    2    H2   ALA   1           HT2      ALA   1 -17.757  -2.583   1.583
    3    H3   ALA   1           HT3      ALA   1 -16.770  -1.666   0.571
    4    HA   ALA   1           HA       ALA   1 -14.879  -2.257   2.020
    5    HB1  ALA   1           HB1      ALA   1 -16.907  -4.156   3.203
    6    HB2  ALA   1           HB2      ALA   1 -16.184  -2.771   4.021
    7    HB3  ALA   1           HB3      ALA   1 -15.177  -4.142   3.552
    8    H    ALA   2           HN       ALA   2 -13.676  -4.303   1.524
    9    HA   ALA   2           HA       ALA   2 -14.822  -5.810  -0.665
   10    HB1  ALA   2           HB1      ALA   2 -12.128  -4.403  -0.625
   11    HB2  ALA   2           HB2      ALA   2 -13.483  -4.002  -1.671
   12    HB3  ALA   2           HB3      ALA   2 -12.652  -5.542  -1.860
   13    H    THR   3           HN       THR   3 -12.483  -7.319  -1.045
   14    HA   THR   3           HA       THR   3 -12.427  -8.743   1.483
   15    HB   THR   3           HB       THR   3 -11.239  -9.471  -1.205
   16    HG1  THR   3           HG1      THR   3 -13.215  -9.731  -1.807
   17   HG21  THR   3          HG21      THR   3 -11.398 -11.753  -0.298
   18   HG22  THR   3          HG22      THR   3 -12.059 -11.069   1.203
   19   HG23  THR   3          HG23      THR   3 -10.403 -10.703   0.726
   20    H    GLN   4           HN       GLN   4 -10.755  -8.279   2.840
   21    HA   GLN   4           HA       GLN   4  -8.712  -6.474   2.405
   22    HB2  GLN   4           HB2      GLN   4  -8.720  -8.792   4.337
   23    HB3  GLN   4           HB1      GLN   4  -7.541  -7.486   4.352
   24    HG2  GLN   4           HG2      GLN   4  -9.338  -5.880   4.732
   25    HG3  GLN   4           HG1      GLN   4 -10.507  -7.194   4.729
   26   HE21  GLN   4          HE21      GLN   4  -7.329  -7.495   6.226
   27   HE22  GLN   4          HE22      GLN   4  -7.941  -7.483   7.842
   28    H    GLU   5           HN       GLU   5  -8.642  -9.888   1.822
   29    HA   GLU   5           HA       GLU   5  -5.857 -10.176   1.283
   30    HB2  GLU   5           HB2      GLU   5  -8.158 -11.792   0.190
   31    HB3  GLU   5           HB1      GLU   5  -6.464 -12.238   0.080
   32    HG2  GLU   5           HG2      GLU   5  -6.360 -12.352   2.527
   33    HG3  GLU   5           HG1      GLU   5  -8.080 -11.962   2.597
   34    H    GLU   6           HN       GLU   6  -8.546  -9.180  -0.674
   35    HA   GLU   6           HA       GLU   6  -7.192  -9.296  -3.180
   36    HB2  GLU   6           HB2      GLU   6  -9.653  -9.392  -3.038
   37    HB3  GLU   6           HB1      GLU   6  -9.682  -7.786  -2.335
   38    HG2  GLU   6           HG2      GLU   6  -8.693  -6.913  -4.438
   39    HG3  GLU   6           HG1      GLU   6  -8.842  -8.528  -5.120
   40    H    ILE   7           HN       ILE   7  -7.818  -6.913  -0.722
   41    HA   ILE   7           HA       ILE   7  -6.868  -4.615  -2.001
   42    HB   ILE   7           HB       ILE   7  -6.694  -5.314   0.920
   43   HG12  ILE   7          HG12      ILE   7  -9.091  -4.353  -0.684
   44   HG13  ILE   7          HG11      ILE   7  -8.904  -5.802   0.241
   45   HG21  ILE   7          HG21      ILE   7  -5.524  -3.254   0.281
   46   HG22  ILE   7          HG22      ILE   7  -6.957  -2.861   1.230
   47   HG23  ILE   7          HG23      ILE   7  -6.978  -2.662  -0.523
   48   HD11  ILE   7          HD11      ILE   7  -8.972  -3.065   1.459
   49   HD12  ILE   7          HD12      ILE   7  -8.874  -4.603   2.314
   50   HD13  ILE   7          HD13      ILE   7 -10.322  -4.201   1.388
   51    H    VAL   8           HN       VAL   8  -5.327  -6.676   0.422
   52    HA   VAL   8           HA       VAL   8  -2.759  -5.697   0.256
   53    HB   VAL   8           HB       VAL   8  -3.807  -8.436   1.005
   54   HG11  VAL   8          HG11      VAL   8  -1.636  -8.857   2.045
   55   HG12  VAL   8          HG12      VAL   8  -1.012  -7.349   1.356
   56   HG13  VAL   8          HG13      VAL   8  -1.500  -8.679   0.297
   57   HG21  VAL   8          HG21      VAL   8  -3.387  -7.618   3.279
   58   HG22  VAL   8          HG22      VAL   8  -4.482  -6.540   2.400
   59   HG23  VAL   8          HG23      VAL   8  -2.800  -6.098   2.609
   60    H    ALA   9           HN       ALA   9  -4.315  -8.179  -1.746
   61    HA   ALA   9           HA       ALA   9  -2.000  -8.960  -3.168
   62    HB1  ALA   9           HB1      ALA   9  -4.026 -10.334  -3.134
   63    HB2  ALA   9           HB2      ALA   9  -3.527  -9.972  -4.788
   64    HB3  ALA   9           HB3      ALA   9  -4.876  -9.097  -4.061
   65    H    GLY  10           HN       GLY  10  -4.522  -6.563  -3.828
   66    HA2  GLY  10           HA2      GLY  10  -3.571  -5.659  -6.314
   67    HA3  GLY  10           HA1      GLY  10  -4.556  -4.722  -5.191
   68    H    LEU  11           HN       LEU  11  -2.882  -4.645  -2.995
   69    HA   LEU  11           HA       LEU  11  -1.110  -2.578  -3.530
   70    HB2  LEU  11           HB2      LEU  11  -1.397  -4.522  -1.273
   71    HB3  LEU  11           HB1      LEU  11  -0.219  -3.244  -1.231
   72    HG   LEU  11           HG       LEU  11  -3.208  -2.851  -1.422
   73   HD11  LEU  11          HD11      LEU  11  -1.304  -2.507   0.893
   74   HD12  LEU  11          HD12      LEU  11  -2.522  -3.772   0.730
   75   HD13  LEU  11          HD13      LEU  11  -3.016  -2.086   0.893
   76   HD21  LEU  11          HD21      LEU  11  -2.686  -0.506  -0.971
   77   HD22  LEU  11          HD22      LEU  11  -1.928  -1.046  -2.469
   78   HD23  LEU  11          HD23      LEU  11  -0.961  -0.876  -1.005
   79    H    ALA  12           HN       ALA  12  -0.604  -6.032  -3.018
   80    HA   ALA  12           HA       ALA  12   2.145  -6.149  -3.131
   81    HB1  ALA  12           HB1      ALA  12   1.861  -8.493  -3.647
   82    HB2  ALA  12           HB2      ALA  12   0.178  -8.204  -4.091
   83    HB3  ALA  12           HB3      ALA  12   0.702  -7.978  -2.422
   84    H    GLU  13           HN       GLU  13  -0.184  -6.337  -5.759
   85    HA   GLU  13           HA       GLU  13   1.494  -6.768  -7.994
   86    HB2  GLU  13           HB2      GLU  13  -0.844  -4.857  -7.847
   87    HB3  GLU  13           HB1      GLU  13  -0.124  -5.471  -9.322
   88    HG2  GLU  13           HG2      GLU  13  -1.336  -7.191  -7.248
   89    HG3  GLU  13           HG1      GLU  13  -2.278  -6.476  -8.565
   90    H    ILE  14           HN       ILE  14   0.524  -3.830  -6.511
   91    HA   ILE  14           HA       ILE  14   1.874  -2.115  -8.138
   92    HB   ILE  14           HB       ILE  14   0.836  -1.823  -5.326
   93   HG12  ILE  14          HG12      ILE  14  -0.284  -0.854  -7.956
   94   HG13  ILE  14          HG11      ILE  14  -0.726  -2.379  -7.203
   95   HG21  ILE  14          HG21      ILE  14   0.923   0.599  -5.668
   96   HG22  ILE  14          HG22      ILE  14   1.761   0.331  -7.205
   97   HG23  ILE  14          HG23      ILE  14   2.534  -0.136  -5.689
   98   HD11  ILE  14          HD11      ILE  14  -1.584  -1.190  -5.289
   99   HD12  ILE  14          HD12      ILE  14  -2.368  -0.677  -6.786
  100   HD13  ILE  14          HD13      ILE  14  -1.142   0.352  -6.033
  101    H    VAL  15           HN       VAL  15   2.627  -3.334  -4.896
  102    HA   VAL  15           HA       VAL  15   5.093  -2.091  -4.454
  103    HB   VAL  15           HB       VAL  15   4.154  -4.788  -3.441
  104   HG11  VAL  15          HG11      VAL  15   5.785  -4.475  -1.620
  105   HG12  VAL  15          HG12      VAL  15   6.362  -3.002  -2.396
  106   HG13  VAL  15          HG13      VAL  15   6.577  -4.561  -3.195
  107   HG21  VAL  15          HG21      VAL  15   3.539  -3.560  -1.415
  108   HG22  VAL  15          HG22      VAL  15   2.658  -2.983  -2.829
  109   HG23  VAL  15          HG23      VAL  15   4.016  -2.053  -2.192
  110    H    ASN  16           HN       ASN  16   4.373  -5.242  -5.907
  111    HA   ASN  16           HA       ASN  16   7.064  -5.997  -6.227
  112    HB2  ASN  16           HB2      ASN  16   4.998  -7.453  -6.312
  113    HB3  ASN  16           HB1      ASN  16   4.795  -6.885  -7.957
  114   HD21  ASN  16          HD21      ASN  16   7.061  -8.458  -5.859
  115   HD22  ASN  16          HD22      ASN  16   7.892  -9.388  -7.039
  116    H    GLU  17           HN       GLU  17   4.884  -4.187  -8.215
  117    HA   GLU  17           HA       GLU  17   6.471  -4.096 -10.546
  118    HB2  GLU  17           HB2      GLU  17   4.096  -3.554 -10.512
  119    HB3  GLU  17           HB1      GLU  17   4.420  -2.163  -9.486
  120    HG2  GLU  17           HG2      GLU  17   5.906  -1.326 -11.338
  121    HG3  GLU  17           HG1      GLU  17   5.186  -2.593 -12.335
  122    H    ILE  18           HN       ILE  18   5.948  -1.729  -7.949
  123    HA   ILE  18           HA       ILE  18   7.900   0.087  -9.081
  124    HB   ILE  18           HB       ILE  18   6.291   0.329  -6.520
  125   HG12  ILE  18          HG12      ILE  18   5.720   1.582  -9.177
  126   HG13  ILE  18          HG11      ILE  18   4.972   0.043  -8.703
  127   HG21  ILE  18          HG21      ILE  18   8.234   1.823  -6.655
  128   HG22  ILE  18          HG22      ILE  18   6.723   2.726  -6.798
  129   HG23  ILE  18          HG23      ILE  18   7.692   2.386  -8.234
  130   HD11  ILE  18          HD11      ILE  18   4.705   2.732  -7.383
  131   HD12  ILE  18          HD12      ILE  18   3.957   1.241  -6.807
  132   HD13  ILE  18          HD13      ILE  18   3.493   1.915  -8.369
  133    H    ALA  19           HN       ALA  19   7.551  -1.600  -5.950
  134    HA   ALA  19           HA       ALA  19  10.124  -0.760  -4.955
  135    HB1  ALA  19           HB1      ALA  19   8.262  -1.187  -3.452
  136    HB2  ALA  19           HB2      ALA  19   9.616  -2.264  -3.098
  137    HB3  ALA  19           HB3      ALA  19   8.209  -2.868  -3.974
  138    H    GLY  20           HN       GLY  20   8.694  -3.625  -6.418
  139    HA2  GLY  20           HA2      GLY  20   9.789  -5.307  -7.620
  140    HA3  GLY  20           HA1      GLY  20  11.334  -4.686  -7.049
  141    H    ILE  21           HN       ILE  21   8.885  -5.148  -4.736
  142    HA   ILE  21           HA       ILE  21  10.448  -7.316  -3.542
  143    HB   ILE  21           HB       ILE  21   8.327  -5.515  -2.313
  144   HG12  ILE  21          HG12      ILE  21  10.337  -4.258  -2.827
  145   HG13  ILE  21          HG11      ILE  21  10.209  -4.476  -1.087
  146   HG21  ILE  21          HG21      ILE  21   9.033  -6.396  -0.135
  147   HG22  ILE  21          HG22      ILE  21  10.113  -7.527  -0.952
  148   HG23  ILE  21          HG23      ILE  21   8.367  -7.659  -1.171
  149   HD11  ILE  21          HD11      ILE  21  12.003  -6.035  -2.943
  150   HD12  ILE  21          HD12      ILE  21  11.872  -6.270  -1.202
  151   HD13  ILE  21          HD13      ILE  21  12.498  -4.751  -1.840
  152    HA   PRO  22           HA       PRO  22   7.654 -10.809  -4.509
  153    HB2  PRO  22           HB2      PRO  22   7.722 -11.195  -1.630
  154    HB3  PRO  22           HB1      PRO  22   8.310 -12.245  -2.919
  155    HG2  PRO  22           HG2      PRO  22   9.807 -10.370  -1.273
  156    HG3  PRO  22           HG1      PRO  22  10.418 -11.585  -2.408
  157    HD2  PRO  22           HD2      PRO  22  10.663  -8.916  -2.882
  158    HD3  PRO  22           HD1      PRO  22  10.409 -10.121  -4.177
  159    H    VAL  23           HN       VAL  23   5.787 -10.666  -4.989
  160    HA   VAL  23           HA       VAL  23   3.751  -9.029  -4.079
  161    HB   VAL  23           HB       VAL  23   3.631 -11.843  -5.228
  162   HG11  VAL  23          HG11      VAL  23   1.510 -11.304  -4.141
  163   HG12  VAL  23          HG12      VAL  23   1.336 -11.358  -5.893
  164   HG13  VAL  23          HG13      VAL  23   1.414  -9.803  -5.064
  165   HG21  VAL  23          HG21      VAL  23   4.744 -10.259  -6.679
  166   HG22  VAL  23          HG22      VAL  23   3.379  -9.150  -6.548
  167   HG23  VAL  23          HG23      VAL  23   3.178 -10.712  -7.346
  168    H    GLU  24           HN       GLU  24   4.630 -12.271  -3.153
  169    HA   GLU  24           HA       GLU  24   2.583 -12.350  -1.280
  170    HB2  GLU  24           HB2      GLU  24   4.655 -14.388  -1.925
  171    HB3  GLU  24           HB1      GLU  24   3.454 -14.632  -0.663
  172    HG2  GLU  24           HG2      GLU  24   1.678 -14.320  -2.320
  173    HG3  GLU  24           HG1      GLU  24   2.912 -14.148  -3.573
  174    H    ASP  25           HN       ASP  25   5.530 -10.953  -1.024
  175    HA   ASP  25           HA       ASP  25   5.775 -11.722   1.755
  176    HB2  ASP  25           HB2      ASP  25   7.878 -11.325   0.375
  177    HB3  ASP  25           HB1      ASP  25   7.475  -9.607   0.418
  178    H    VAL  26           HN       VAL  26   4.282  -9.508  -0.159
  179    HA   VAL  26           HA       VAL  26   3.779  -7.493   1.769
  180    HB   VAL  26           HB       VAL  26   2.685  -8.211  -0.968
  181   HG11  VAL  26          HG11      VAL  26   1.646  -5.961   0.770
  182   HG12  VAL  26          HG12      VAL  26   0.776  -7.446   0.319
  183   HG13  VAL  26          HG13      VAL  26   1.247  -6.298  -0.933
  184   HG21  VAL  26          HG21      VAL  26   4.812  -7.055  -0.825
  185   HG22  VAL  26          HG22      VAL  26   4.073  -5.796   0.163
  186   HG23  VAL  26          HG23      VAL  26   3.579  -5.995  -1.514
  187    H    LYS  27           HN       LYS  27   3.292  -8.660   3.467
  188    HA   LYS  27           HA       LYS  27   0.807 -10.232   3.715
  189    HB2  LYS  27           HB2      LYS  27   3.105  -9.648   5.608
  190    HB3  LYS  27           HB1      LYS  27   1.774 -10.757   5.929
  191    HG2  LYS  27           HG2      LYS  27   2.490 -12.246   4.214
  192    HG3  LYS  27           HG1      LYS  27   3.664 -11.076   3.616
  193    HD2  LYS  27           HD2      LYS  27   4.958 -11.287   5.652
  194    HD3  LYS  27           HD1      LYS  27   3.751 -12.379   6.336
  195    HE2  LYS  27           HE2      LYS  27   5.689 -13.604   5.459
  196    HE3  LYS  27           HE1      LYS  27   4.207 -14.010   4.601
  197    HZ1  LYS  27           HZ1      LYS  27   4.908 -12.551   2.793
  198    HZ2  LYS  27           HZ2      LYS  27   6.019 -13.754   3.081
  199    HZ3  LYS  27           HZ3      LYS  27   6.366 -12.194   3.591
  200    H    LEU  28           HN       LEU  28   0.930  -9.186   6.679
  201    HA   LEU  28           HA       LEU  28  -0.061  -6.513   6.047
  202    HB2  LEU  28           HB2      LEU  28  -1.327  -8.537   7.827
  203    HB3  LEU  28           HB1      LEU  28  -1.545  -6.833   8.156
  204    HG   LEU  28           HG       LEU  28  -2.404  -6.668   5.750
  205   HD11  LEU  28          HD11      LEU  28  -3.432  -8.625   4.825
  206   HD12  LEU  28          HD12      LEU  28  -2.706  -9.636   6.084
  207   HD13  LEU  28          HD13      LEU  28  -1.681  -8.788   4.913
  208   HD21  LEU  28          HD21      LEU  28  -3.778  -6.408   7.678
  209   HD22  LEU  28          HD22      LEU  28  -3.976  -8.162   7.814
  210   HD23  LEU  28          HD23      LEU  28  -4.646  -7.292   6.419
  211    H    ASP  29           HN       ASP  29   2.043  -8.303   7.909
  212    HA   ASP  29           HA       ASP  29   2.425  -6.298  10.011
  213    HB2  ASP  29           HB2      ASP  29   2.615  -8.641  10.657
  214    HB3  ASP  29           HB1      ASP  29   3.799  -8.939   9.397
  215    H    LYS  30           HN       LYS  30   3.116  -6.502   6.997
  216    HA   LYS  30           HA       LYS  30   5.929  -5.828   7.020
  217    HB2  LYS  30           HB2      LYS  30   3.978  -6.318   4.828
  218    HB3  LYS  30           HB1      LYS  30   5.591  -5.699   4.525
  219    HG2  LYS  30           HG2      LYS  30   5.026  -8.261   5.986
  220    HG3  LYS  30           HG1      LYS  30   5.392  -8.153   4.260
  221    HD2  LYS  30           HD2      LYS  30   7.532  -7.011   4.854
  222    HD3  LYS  30           HD1      LYS  30   7.136  -7.274   6.538
  223    HE2  LYS  30           HE2      LYS  30   7.180  -9.669   6.250
  224    HE3  LYS  30           HE1      LYS  30   7.474  -9.482   4.520
  225    HZ1  LYS  30           HZ1      LYS  30   9.581  -8.484   4.984
  226    HZ2  LYS  30           HZ2      LYS  30   9.528  -9.930   5.848
  227    HZ3  LYS  30           HZ3      LYS  30   9.269  -8.451   6.631
  228    H    SER  31           HN       SER  31   6.092  -3.795   7.926
  229    HA   SER  31           HA       SER  31   4.754  -1.575   6.934
  230    HB2  SER  31           HB2      SER  31   7.511  -1.775   8.141
  231    HB3  SER  31           HB1      SER  31   6.375  -0.418   8.161
  232    HG   SER  31           HG       SER  31   6.474  -1.691  10.138
  233    H    PHE  32           HN       PHE  32   4.909  -1.151   4.773
  234    HA   PHE  32           HA       PHE  32   6.436  -1.757   2.754
  235    HB2  PHE  32           HB2      PHE  32   5.515   0.995   3.441
  236    HB3  PHE  32           HB1      PHE  32   6.302   0.658   1.911
  237    HD1  PHE  32           HD1      PHE  32   5.202  -0.962   0.343
  238    HD2  PHE  32           HD2      PHE  32   3.324   0.474   3.855
  239    HE1  PHE  32           HE1      PHE  32   3.015  -1.667  -0.544
  240    HE2  PHE  32           HE2      PHE  32   1.137  -0.222   2.975
  241    HZ   PHE  32           HZ       PHE  32   1.014  -1.308   0.708
  242    H    THR  33           HN       THR  33   7.569   1.456   3.705
  243    HA   THR  33           HA       THR  33  10.220   0.526   3.229
  244    HB   THR  33           HB       THR  33  10.658   3.042   3.974
  245    HG1  THR  33           HG1      THR  33   8.912   4.253   3.892
  246   HG21  THR  33          HG21      THR  33  11.154   2.055   1.801
  247   HG22  THR  33          HG22      THR  33  10.371   3.621   1.580
  248   HG23  THR  33          HG23      THR  33   9.462   2.132   1.355
  249    H    ASP  34           HN       ASP  34   9.985  -1.001   5.016
  250    HA   ASP  34           HA       ASP  34  11.708  -0.219   7.129
  251    HB2  ASP  34           HB2      ASP  34   9.750   0.753   8.132
  252    HB3  ASP  34           HB1      ASP  34   8.818  -0.709   7.836
  253    H    ASP  35           HN       ASP  35   9.110  -2.561   6.562
  254    HA   ASP  35           HA       ASP  35  10.919  -4.725   7.431
  255    HB2  ASP  35           HB2      ASP  35   8.413  -4.237   8.271
  256    HB3  ASP  35           HB1      ASP  35   8.039  -5.211   6.849
  257    H    LEU  36           HN       LEU  36   8.981  -3.597   4.733
  258    HA   LEU  36           HA       LEU  36   9.615  -5.895   3.063
  259    HB2  LEU  36           HB2      LEU  36   8.325  -3.237   2.425
  260    HB3  LEU  36           HB1      LEU  36   8.649  -4.458   1.219
  261    HG   LEU  36           HG       LEU  36   6.838  -4.863   3.588
  262   HD11  LEU  36          HD11      LEU  36   5.971  -3.138   2.068
  263   HD12  LEU  36          HD12      LEU  36   5.013  -4.617   1.964
  264   HD13  LEU  36          HD13      LEU  36   6.186  -4.235   0.705
  265   HD21  LEU  36          HD21      LEU  36   7.806  -6.913   2.689
  266   HD22  LEU  36          HD22      LEU  36   7.284  -6.458   1.068
  267   HD23  LEU  36          HD23      LEU  36   6.086  -6.816   2.315
  268    H    ASP  37           HN       ASP  37  10.366  -2.476   3.157
  269    HA   ASP  37           HA       ASP  37  12.120  -1.258   2.711
  270    HB2  ASP  37           HB2      ASP  37  13.689  -2.932   3.580
  271    HB3  ASP  37           HB1      ASP  37  13.630  -3.811   2.056
  272    H    VAL  38           HN       VAL  38  11.301  -0.133   1.271
  273    HA   VAL  38           HA       VAL  38  11.057  -1.126  -1.482
  274    HB   VAL  38           HB       VAL  38   9.553   1.106  -0.032
  275   HG11  VAL  38          HG11      VAL  38   8.086   1.238  -1.978
  276   HG12  VAL  38          HG12      VAL  38   9.101   0.075  -2.833
  277   HG13  VAL  38          HG13      VAL  38   9.746   1.659  -2.403
  278   HG21  VAL  38          HG21      VAL  38   8.893  -1.095   0.729
  279   HG22  VAL  38          HG22      VAL  38   8.616  -1.611  -0.936
  280   HG23  VAL  38          HG23      VAL  38   7.604  -0.357  -0.221
  281    H    ASP  39           HN       ASP  39  10.928   2.191  -0.636
  282    HA   ASP  39           HA       ASP  39  13.452   3.183  -1.017
  283    HB2  ASP  39           HB2      ASP  39  13.000   2.200  -3.465
  284    HB3  ASP  39           HB1      ASP  39  11.806   3.506  -3.497
  285    H    SER  40           HN       SER  40  12.882   5.531  -2.062
  286    HA   SER  40           HA       SER  40  10.799   6.444  -0.233
  287    HB2  SER  40           HB2      SER  40  13.108   7.252   0.079
  288    HB3  SER  40           HB1      SER  40  13.043   7.977  -1.528
  289    H    LEU  41           HN       LEU  41  12.005   6.680  -3.489
  290    HA   LEU  41           HA       LEU  41   9.954   8.559  -4.289
  291    HB2  LEU  41           HB2      LEU  41  11.907   6.988  -5.976
  292    HB3  LEU  41           HB1      LEU  41  10.893   8.297  -6.547
  293    HG   LEU  41           HG       LEU  41  13.154   8.530  -4.564
  294   HD11  LEU  41          HD11      LEU  41  14.240   9.829  -6.316
  295   HD12  LEU  41          HD12      LEU  41  12.886   9.499  -7.400
  296   HD13  LEU  41          HD13      LEU  41  13.909   8.177  -6.836
  297   HD21  LEU  41          HD21      LEU  41  11.343  10.666  -5.703
  298   HD22  LEU  41          HD22      LEU  41  12.763  10.950  -4.693
  299   HD23  LEU  41          HD23      LEU  41  11.366  10.105  -4.031
  300    H    SER  42           HN       SER  42  10.588   5.196  -4.348
  301    HA   SER  42           HA       SER  42   8.574   4.412  -6.145
  302    HB2  SER  42           HB2      SER  42   9.874   2.853  -3.917
  303    HB3  SER  42           HB1      SER  42   9.107   2.203  -5.369
  304    HG   SER  42           HG       SER  42  10.727   3.558  -6.519
  305    H    MET  43           HN       MET  43   8.725   5.178  -2.774
  306    HA   MET  43           HA       MET  43   6.479   3.801  -1.811
  307    HB2  MET  43           HB2      MET  43   8.218   4.752  -0.394
  308    HB3  MET  43           HB1      MET  43   7.689   6.372  -0.833
  309    HG2  MET  43           HG2      MET  43   6.873   5.591   1.349
  310    HG3  MET  43           HG1      MET  43   5.600   6.062   0.207
  311    HE1  MET  43           HE1      MET  43   6.801   1.666   0.635
  312    HE2  MET  43           HE2      MET  43   7.523   2.893   1.676
  313    HE3  MET  43           HE3      MET  43   7.754   2.983  -0.070
  314    H    VAL  44           HN       VAL  44   6.879   7.031  -3.170
  315    HA   VAL  44           HA       VAL  44   4.253   7.856  -2.559
  316    HB   VAL  44           HB       VAL  44   6.260   9.071  -4.493
  317   HG11  VAL  44          HG11      VAL  44   3.991   9.884  -4.895
  318   HG12  VAL  44          HG12      VAL  44   4.996  11.154  -4.194
  319   HG13  VAL  44          HG13      VAL  44   3.827  10.299  -3.189
  320   HG21  VAL  44          HG21      VAL  44   6.830  10.592  -2.626
  321   HG22  VAL  44          HG22      VAL  44   7.190   8.913  -2.239
  322   HG23  VAL  44          HG23      VAL  44   5.761   9.676  -1.566
  323    H    GLU  45           HN       GLU  45   5.799   6.196  -5.254
  324    HA   GLU  45           HA       GLU  45   3.636   6.614  -7.033
  325    HB2  GLU  45           HB2      GLU  45   5.807   4.516  -7.062
  326    HB3  GLU  45           HB1      GLU  45   4.685   4.830  -8.375
  327    HG2  GLU  45           HG2      GLU  45   5.583   7.140  -8.490
  328    HG3  GLU  45           HG1      GLU  45   6.812   6.667  -7.317
  329    H    VAL  46           HN       VAL  46   4.536   4.188  -4.668
  330    HA   VAL  46           HA       VAL  46   2.582   2.273  -5.234
  331    HB   VAL  46           HB       VAL  46   3.775   3.000  -2.517
  332   HG11  VAL  46          HG11      VAL  46   1.697   1.736  -2.229
  333   HG12  VAL  46          HG12      VAL  46   3.103   0.771  -1.780
  334   HG13  VAL  46          HG13      VAL  46   2.300   0.490  -3.325
  335   HG21  VAL  46          HG21      VAL  46   5.453   2.292  -4.134
  336   HG22  VAL  46          HG22      VAL  46   4.520   0.838  -4.484
  337   HG23  VAL  46          HG23      VAL  46   5.236   1.064  -2.889
  338    H    VAL  47           HN       VAL  47   2.501   5.082  -3.104
  339    HA   VAL  47           HA       VAL  47  -0.123   4.946  -2.145
  340    HB   VAL  47           HB       VAL  47   1.406   7.451  -2.935
  341   HG11  VAL  47          HG11      VAL  47  -0.967   7.892  -2.558
  342   HG12  VAL  47          HG12      VAL  47   0.010   8.596  -1.272
  343   HG13  VAL  47          HG13      VAL  47  -0.872   7.098  -0.990
  344   HG21  VAL  47          HG21      VAL  47   1.334   5.984  -0.298
  345   HG22  VAL  47          HG22      VAL  47   2.121   7.536  -0.586
  346   HG23  VAL  47          HG23      VAL  47   2.707   6.084  -1.400
  347    H    VAL  48           HN       VAL  48   1.019   6.970  -4.835
  348    HA   VAL  48           HA       VAL  48  -1.390   7.715  -5.951
  349    HB   VAL  48           HB       VAL  48   1.183   7.126  -7.459
  350   HG11  VAL  48          HG11      VAL  48  -0.712   7.293  -8.998
  351   HG12  VAL  48          HG12      VAL  48   0.352   8.692  -9.152
  352   HG13  VAL  48          HG13      VAL  48  -1.171   8.836  -8.277
  353   HG21  VAL  48          HG21      VAL  48   0.130   9.692  -6.269
  354   HG22  VAL  48          HG22      VAL  48   1.601   9.532  -7.226
  355   HG23  VAL  48          HG23      VAL  48   1.479   8.737  -5.657
  356    H    ALA  49           HN       ALA  49   0.431   4.767  -6.810
  357    HA   ALA  49           HA       ALA  49  -1.420   3.914  -8.760
  358    HB1  ALA  49           HB1      ALA  49   0.908   3.147  -8.709
  359    HB2  ALA  49           HB2      ALA  49  -0.238   1.806  -8.760
  360    HB3  ALA  49           HB3      ALA  49   0.560   2.227  -7.245
  361    H    ALA  50           HN       ALA  50  -1.337   3.461  -5.282
  362    HA   ALA  50           HA       ALA  50  -3.204   1.318  -5.159
  363    HB1  ALA  50           HB1      ALA  50  -3.438   1.895  -2.800
  364    HB2  ALA  50           HB2      ALA  50  -2.607   3.427  -3.082
  365    HB3  ALA  50           HB3      ALA  50  -1.736   1.907  -3.268
  366    H    GLU  51           HN       GLU  51  -3.510   4.814  -5.179
  367    HA   GLU  51           HA       GLU  51  -6.249   5.102  -4.683
  368    HB2  GLU  51           HB2      GLU  51  -4.699   6.686  -6.720
  369    HB3  GLU  51           HB1      GLU  51  -6.055   7.207  -5.742
  370    HG2  GLU  51           HG2      GLU  51  -4.672   7.272  -3.776
  371    HG3  GLU  51           HG1      GLU  51  -3.323   6.571  -4.675
  372    H    GLU  52           HN       GLU  52  -4.405   4.739  -7.594
  373    HA   GLU  52           HA       GLU  52  -6.434   4.738  -9.524
  374    HB2  GLU  52           HB2      GLU  52  -3.948   5.074  -9.790
  375    HB3  GLU  52           HB1      GLU  52  -3.782   3.335  -9.643
  376    HG2  GLU  52           HG2      GLU  52  -3.721   3.951 -11.946
  377    HG3  GLU  52           HG1      GLU  52  -5.214   3.069 -11.632
  378    H    ARG  53           HN       ARG  53  -5.163   2.210  -7.454
  379    HA   ARG  53           HA       ARG  53  -6.093   0.058  -9.119
  380    HB2  ARG  53           HB2      ARG  53  -4.032  -0.088  -7.672
  381    HB3  ARG  53           HB1      ARG  53  -5.096  -0.115  -6.271
  382    HG2  ARG  53           HG2      ARG  53  -4.487  -2.366  -6.789
  383    HG3  ARG  53           HG1      ARG  53  -6.188  -2.149  -7.226
  384    HD2  ARG  53           HD2      ARG  53  -5.358  -1.588  -9.554
  385    HD3  ARG  53           HD1      ARG  53  -3.795  -2.174  -9.011
  386    HE   ARG  53           HE       ARG  53  -5.851  -4.077  -8.557
  387   HH11  ARG  53          HH11      ARG  53  -3.469  -2.879 -10.896
  388   HH12  ARG  53          HH12      ARG  53  -3.749  -4.064 -12.077
  389   HH21  ARG  53          HH21      ARG  53  -6.265  -5.776 -10.193
  390   HH22  ARG  53          HH22      ARG  53  -5.327  -5.808 -11.620
  391    H    PHE  54           HN       PHE  54  -6.894   1.348  -5.933
  392    HA   PHE  54           HA       PHE  54  -9.139  -0.497  -5.809
  393    HB2  PHE  54           HB2      PHE  54  -7.993   1.344  -3.735
  394    HB3  PHE  54           HB1      PHE  54  -9.258   0.152  -3.470
  395    HD1  PHE  54           HD1      PHE  54  -8.551  -2.286  -4.406
  396    HD2  PHE  54           HD2      PHE  54  -5.883   0.759  -3.076
  397    HE1  PHE  54           HE1      PHE  54  -6.841  -3.971  -3.941
  398    HE2  PHE  54           HE2      PHE  54  -4.189  -0.955  -2.575
  399    HZ   PHE  54           HZ       PHE  54  -4.667  -3.298  -3.040
  400    H    ASP  55           HN       ASP  55  -8.604   2.587  -6.798
  401    HA   ASP  55           HA       ASP  55  -9.863   4.259  -7.511
  402    HB2  ASP  55           HB2      ASP  55 -11.413   2.452  -8.349
  403    HB3  ASP  55           HB1      ASP  55 -12.318   2.596  -6.850
  404    H    VAL  56           HN       VAL  56  -9.218   3.719  -4.689
  405    HA   VAL  56           HA       VAL  56 -10.925   5.760  -3.492
  406    HB   VAL  56           HB       VAL  56 -10.996   3.764  -2.158
  407   HG11  VAL  56          HG11      VAL  56  -7.980   3.820  -2.066
  408   HG12  VAL  56          HG12      VAL  56  -8.978   2.635  -2.907
  409   HG13  VAL  56          HG13      VAL  56  -9.002   2.714  -1.145
  410   HG21  VAL  56          HG21      VAL  56 -10.110   4.532  -0.005
  411   HG22  VAL  56          HG22      VAL  56 -10.945   5.808  -0.893
  412   HG23  VAL  56          HG23      VAL  56  -9.180   5.774  -0.846
  413    H    LYS  57           HN       LYS  57 -10.111   7.622  -3.440
  414    HA   LYS  57           HA       LYS  57  -7.426   8.141  -4.344
  415    HB2  LYS  57           HB2      LYS  57  -9.789   9.489  -4.508
  416    HB3  LYS  57           HB1      LYS  57  -9.042  10.328  -3.161
  417    HG2  LYS  57           HG2      LYS  57  -7.771   9.980  -5.869
  418    HG3  LYS  57           HG1      LYS  57  -8.690  11.390  -5.373
  419    HD2  LYS  57           HD2      LYS  57  -7.059  11.917  -3.686
  420    HD3  LYS  57           HD1      LYS  57  -6.205  10.399  -3.991
  421    HE2  LYS  57           HE2      LYS  57  -6.592  12.581  -6.042
  422    HE3  LYS  57           HE1      LYS  57  -5.133  12.378  -5.068
  423    HZ1  LYS  57           HZ1      LYS  57  -6.216  10.311  -6.928
  424    HZ2  LYS  57           HZ2      LYS  57  -4.794  10.245  -6.013
  425    HZ3  LYS  57           HZ3      LYS  57  -4.930  11.345  -7.284
  426    H    ILE  58           HN       ILE  58  -5.985   7.425  -2.899
  427    HA   ILE  58           HA       ILE  58  -6.130   8.318  -0.110
  428    HB   ILE  58           HB       ILE  58  -4.060   6.455  -1.306
  429   HG12  ILE  58          HG12      ILE  58  -6.676   5.625  -0.022
  430   HG13  ILE  58          HG11      ILE  58  -6.348   5.557  -1.748
  431   HG21  ILE  58          HG21      ILE  58  -5.110   6.819   1.511
  432   HG22  ILE  58          HG22      ILE  58  -3.551   7.383   0.903
  433   HG23  ILE  58          HG23      ILE  58  -3.883   5.656   1.021
  434   HD11  ILE  58          HD11      ILE  58  -4.558   3.947  -1.343
  435   HD12  ILE  58          HD12      ILE  58  -6.108   3.379  -0.715
  436   HD13  ILE  58          HD13      ILE  58  -4.895   4.022   0.388
  437    HA   PRO  59           HA       PRO  59  -3.167  11.280  -1.913
  438    HB2  PRO  59           HB2      PRO  59  -3.442  13.201  -0.033
  439    HB3  PRO  59           HB1      PRO  59  -4.622  12.983  -1.330
  440    HG2  PRO  59           HG2      PRO  59  -4.749  12.096   1.515
  441    HG3  PRO  59           HG1      PRO  59  -6.026  12.791   0.497
  442    HD2  PRO  59           HD2      PRO  59  -5.775  10.118   1.005
  443    HD3  PRO  59           HD1      PRO  59  -6.528  10.775  -0.461
  444    H    ASP  60           HN       ASP  60  -1.025  11.724  -1.378
  445    HA   ASP  60           HA       ASP  60   0.267  10.142   0.496
  446    HB2  ASP  60           HB2      ASP  60   2.302  11.295  -0.052
  447    HB3  ASP  60           HB1      ASP  60   1.359  11.173  -1.527
  448    H    ASP  61           HN       ASP  61  -1.397  13.012   0.939
  449    HA   ASP  61           HA       ASP  61  -0.196  13.995   3.305
  450    HB2  ASP  61           HB2      ASP  61  -1.747  15.369   2.054
  451    HB3  ASP  61           HB1      ASP  61  -3.052  14.220   2.341
  452    H    ASP  62           HN       ASP  62  -3.108  11.960   2.880
  453    HA   ASP  62           HA       ASP  62  -3.265  11.485   5.748
  454    HB2  ASP  62           HB2      ASP  62  -5.319  11.897   4.389
  455    HB3  ASP  62           HB1      ASP  62  -5.000  10.421   3.493
  456    H    VAL  63           HN       VAL  63  -2.114   9.889   2.941
  457    HA   VAL  63           HA       VAL  63  -2.158   7.237   3.763
  458    HB   VAL  63           HB       VAL  63  -1.435   8.294   1.476
  459   HG11  VAL  63          HG11      VAL  63   0.522   9.468   2.220
  460   HG12  VAL  63          HG12      VAL  63   0.958   8.234   1.034
  461   HG13  VAL  63          HG13      VAL  63   1.260   7.957   2.749
  462   HG21  VAL  63          HG21      VAL  63  -0.342   6.205   0.826
  463   HG22  VAL  63          HG22      VAL  63  -1.790   5.942   1.800
  464   HG23  VAL  63          HG23      VAL  63  -0.190   5.774   2.529
  465    H    LYS  64           HN       LYS  64  -0.279   9.792   4.926
  466    HA   LYS  64           HA       LYS  64   2.045   8.550   5.814
  467    HB2  LYS  64           HB2      LYS  64   0.645  10.901   7.068
  468    HB3  LYS  64           HB1      LYS  64   2.327  10.451   7.294
  469    HG2  LYS  64           HG2      LYS  64   2.724  10.833   4.893
  470    HG3  LYS  64           HG1      LYS  64   1.059  11.370   4.718
  471    HD2  LYS  64           HD2      LYS  64   1.547  13.085   6.503
  472    HD3  LYS  64           HD1      LYS  64   3.245  12.634   6.352
  473    HE2  LYS  64           HE2      LYS  64   1.479  13.709   4.159
  474    HE3  LYS  64           HE1      LYS  64   2.733  14.600   5.012
  475    HZ1  LYS  64           HZ1      LYS  64   4.391  13.137   4.060
  476    HZ2  LYS  64           HZ2      LYS  64   3.425  13.832   2.850
  477    HZ3  LYS  64           HZ3      LYS  64   3.194  12.217   3.295
  478    H    ASN  65           HN       ASN  65  -1.104   8.080   6.947
  479    HA   ASN  65           HA       ASN  65  -0.291   7.450   9.668
  480    HB2  ASN  65           HB2      ASN  65  -3.040   7.303   8.395
  481    HB3  ASN  65           HB1      ASN  65  -2.682   7.036  10.096
  482   HD21  ASN  65          HD21      ASN  65  -3.194   9.355   7.623
  483   HD22  ASN  65          HD22      ASN  65  -3.144  10.757   8.607
  484    H    LEU  66           HN       LEU  66  -0.697   6.042   6.640
  485    HA   LEU  66           HA       LEU  66  -1.158   3.378   7.708
  486    HB2  LEU  66           HB2      LEU  66  -0.654   4.071   4.833
  487    HB3  LEU  66           HB1      LEU  66  -1.531   2.727   5.555
  488    HG   LEU  66           HG       LEU  66  -2.520   5.578   5.451
  489   HD11  LEU  66          HD11      LEU  66  -3.303   3.202   3.787
  490   HD12  LEU  66          HD12      LEU  66  -2.419   4.627   3.237
  491   HD13  LEU  66          HD13      LEU  66  -4.094   4.778   3.768
  492   HD21  LEU  66          HD21      LEU  66  -3.940   3.036   6.242
  493   HD22  LEU  66          HD22      LEU  66  -4.664   4.628   6.120
  494   HD23  LEU  66          HD23      LEU  66  -3.434   4.317   7.353
  495    H    LYS  67           HN       LYS  67   0.720   2.554   8.431
  496    HA   LYS  67           HA       LYS  67   3.045   3.178   6.812
  497    HB2  LYS  67           HB2      LYS  67   4.334   2.536   9.049
  498    HB3  LYS  67           HB1      LYS  67   3.727   4.152   8.739
  499    HG2  LYS  67           HG2      LYS  67   3.207   3.551  10.990
  500    HG3  LYS  67           HG1      LYS  67   1.718   3.609  10.032
  501    HD2  LYS  67           HD2      LYS  67   1.826   1.144   9.811
  502    HD3  LYS  67           HD1      LYS  67   3.271   1.130  10.818
  503    HE2  LYS  67           HE2      LYS  67   0.565   2.122  11.643
  504    HE3  LYS  67           HE1      LYS  67   1.206   0.536  12.040
  505    HZ1  LYS  67           HZ1      LYS  67   2.263   3.169  12.976
  506    HZ2  LYS  67           HZ2      LYS  67   3.070   1.715  13.185
  507    HZ3  LYS  67           HZ3      LYS  67   1.565   1.940  13.918
  508    H    THR  68           HN       THR  68   1.037   0.686   7.325
  509    HA   THR  68           HA       THR  68   3.146  -1.111   6.401
  510    HB   THR  68           HB       THR  68   1.980  -3.019   7.380
  511    HG1  THR  68           HG1      THR  68   0.405  -1.267   8.943
  512   HG21  THR  68          HG21      THR  68   3.752  -2.028   8.647
  513   HG22  THR  68          HG22      THR  68   2.492  -2.678   9.704
  514   HG23  THR  68          HG23      THR  68   2.611  -0.926   9.435
  515    H    VAL  69           HN       VAL  69   2.136  -3.003   5.363
  516    HA   VAL  69           HA       VAL  69   0.369  -2.361   3.282
  517    HB   VAL  69           HB       VAL  69   0.219  -4.980   3.218
  518   HG11  VAL  69          HG11      VAL  69   2.890  -3.552   2.938
  519   HG12  VAL  69          HG12      VAL  69   1.639  -3.596   1.696
  520   HG13  VAL  69          HG13      VAL  69   2.467  -5.081   2.167
  521   HG21  VAL  69          HG21      VAL  69   2.494  -4.553   5.119
  522   HG22  VAL  69          HG22      VAL  69   2.060  -6.074   4.343
  523   HG23  VAL  69          HG23      VAL  69   0.947  -5.316   5.482
  524    H    GLY  70           HN       GLY  70  -0.061  -3.630   6.512
  525    HA2  GLY  70           HA2      GLY  70  -2.752  -4.474   6.154
  526    HA3  GLY  70           HA1      GLY  70  -1.911  -4.274   7.693
  527    H    ASP  71           HN       ASP  71  -1.151  -1.668   7.543
  528    HA   ASP  71           HA       ASP  71  -3.476  -0.259   8.280
  529    HB2  ASP  71           HB2      ASP  71  -0.752   0.807   7.534
  530    HB3  ASP  71           HB1      ASP  71  -2.068   1.841   8.059
  531    H    ALA  72           HN       ALA  72  -1.635  -0.251   5.258
  532    HA   ALA  72           HA       ALA  72  -3.096   1.667   3.878
  533    HB1  ALA  72           HB1      ALA  72  -1.920  -0.903   2.793
  534    HB2  ALA  72           HB2      ALA  72  -1.063   0.628   2.974
  535    HB3  ALA  72           HB3      ALA  72  -2.399   0.493   1.830
  536    H    THR  73           HN       THR  73  -3.581  -1.886   3.633
  537    HA   THR  73           HA       THR  73  -6.018  -2.067   2.591
  538    HB   THR  73           HB       THR  73  -4.852  -3.642   4.875
  539    HG1  THR  73           HG1      THR  73  -3.425  -3.956   3.319
  540   HG21  THR  73          HG21      THR  73  -7.230  -4.151   4.519
  541   HG22  THR  73          HG22      THR  73  -6.224  -5.503   3.984
  542   HG23  THR  73          HG23      THR  73  -6.925  -4.387   2.802
  543    H    LYS  74           HN       LYS  74  -5.366  -1.412   6.051
  544    HA   LYS  74           HA       LYS  74  -7.979  -1.601   7.009
  545    HB2  LYS  74           HB2      LYS  74  -5.934  -1.578   8.414
  546    HB3  LYS  74           HB1      LYS  74  -5.707   0.118   8.037
  547    HG2  LYS  74           HG2      LYS  74  -6.642  -0.152  10.251
  548    HG3  LYS  74           HG1      LYS  74  -7.804   0.644   9.191
  549    HD2  LYS  74           HD2      LYS  74  -8.966  -1.487   8.867
  550    HD3  LYS  74           HD1      LYS  74  -7.798  -2.285   9.924
  551    HE2  LYS  74           HE2      LYS  74  -9.606  -0.017  10.743
  552    HE3  LYS  74           HE1      LYS  74  -9.931  -1.721  11.052
  553    HZ1  LYS  74           HZ1      LYS  74  -7.534  -0.257  12.093
  554    HZ2  LYS  74           HZ2      LYS  74  -8.003  -1.833  12.470
  555    HZ3  LYS  74           HZ3      LYS  74  -8.968  -0.521  12.933
  556    H    TYR  75           HN       TYR  75  -6.294   1.038   5.457
  557    HA   TYR  75           HA       TYR  75  -8.336   3.012   5.933
  558    HB2  TYR  75           HB2      TYR  75  -6.031   3.718   5.531
  559    HB3  TYR  75           HB1      TYR  75  -6.020   2.915   3.972
  560    HD1  TYR  75           HD2      TYR  75  -7.381   3.912   2.085
  561    HD2  TYR  75           HD1      TYR  75  -6.895   5.937   5.794
  562    HE1  TYR  75           HE2      TYR  75  -8.096   6.033   1.036
  563    HE2  TYR  75           HE1      TYR  75  -7.602   8.039   4.750
  564    HH   TYR  75           HH       TYR  75  -9.008   8.234   1.659
  565    H    ILE  76           HN       ILE  76  -7.145   1.175   3.219
  566    HA   ILE  76           HA       ILE  76  -8.929   1.974   1.316
  567    HB   ILE  76           HB       ILE  76  -7.453  -0.657   1.527
  568   HG12  ILE  76          HG12      ILE  76  -6.698   1.874   0.064
  569   HG13  ILE  76          HG11      ILE  76  -6.109   1.458   1.666
  570   HG21  ILE  76          HG21      ILE  76  -8.615   0.756  -0.885
  571   HG22  ILE  76          HG22      ILE  76  -9.277  -0.689  -0.134
  572   HG23  ILE  76          HG23      ILE  76  -7.692  -0.749  -0.914
  573   HD11  ILE  76          HD11      ILE  76  -5.644  -0.111  -0.854
  574   HD12  ILE  76          HD12      ILE  76  -5.066  -0.543   0.753
  575   HD13  ILE  76          HD13      ILE  76  -4.472   0.921  -0.030
  576    H    LEU  77           HN       LEU  77  -9.063  -0.911   3.385
  577    HA   LEU  77           HA       LEU  77 -11.386  -2.144   2.454
  578    HB2  LEU  77           HB2      LEU  77  -9.876  -3.115   4.112
  579    HB3  LEU  77           HB1      LEU  77 -10.376  -1.916   5.285
  580    HG   LEU  77           HG       LEU  77 -12.694  -2.878   5.121
  581   HD11  LEU  77          HD11      LEU  77 -12.396  -3.952   2.987
  582   HD12  LEU  77          HD12      LEU  77 -12.963  -5.085   4.221
  583   HD13  LEU  77          HD13      LEU  77 -11.274  -5.106   3.704
  584   HD21  LEU  77          HD21      LEU  77 -10.489  -4.683   6.079
  585   HD22  LEU  77          HD22      LEU  77 -12.183  -4.773   6.561
  586   HD23  LEU  77          HD23      LEU  77 -11.220  -3.356   6.980
  587    H    ASP  78           HN       ASP  78 -10.967   0.462   4.592
  588    HA   ASP  78           HA       ASP  78 -13.792   0.600   5.408
  589    HB2  ASP  78           HB2      ASP  78 -12.152   0.976   7.125
  590    HB3  ASP  78           HB1      ASP  78 -11.377   2.235   6.178
  591    H    HIS  79           HN       HIS  79 -11.523   2.409   3.566
  592    HA   HIS  79           HA       HIS  79 -13.376   4.556   2.974
  593    HB2  HIS  79           HB2      HIS  79 -10.467   4.104   2.540
  594    HB3  HIS  79           HB1      HIS  79 -11.227   5.434   1.716
  595    HD1  HIS  79           HD1      HIS  79 -11.359   7.563   3.057
  596    HD2  HIS  79           HD2      HIS  79 -10.631   4.256   5.461
  597    HE1  HIS  79           HE1      HIS  79 -10.884   8.481   5.348
  598    HE2  HIS  79           HE2      HIS  79 -10.032   6.491   6.604
  599    H    GLN  80           HN       GLN  80 -13.044   1.636   1.780
  600    HA   GLN  80           HA       GLN  80 -12.635   1.365  -0.845
  601    HB2  GLN  80           HB2      GLN  80 -14.881   0.361   0.789
  602    HB3  GLN  80           HB1      GLN  80 -14.804  -0.043  -0.924
  603    HG2  GLN  80           HG2      GLN  80 -12.794  -0.685   1.213
  604    HG3  GLN  80           HG1      GLN  80 -13.939  -1.796   0.462
  605   HE21  GLN  80          HE21      GLN  80 -11.114  -1.890   0.629
  606   HE22  GLN  80          HE22      GLN  80 -10.509  -1.990  -0.982
  607    H    ALA  81           HN       ALA  81 -13.438   1.848  -2.731
  608    HA   ALA  81           HA       ALA  81 -15.677   3.688  -2.894
  609    HB1  ALA  81           HB1      ALA  81 -14.911   4.027  -5.208
  610    HB2  ALA  81           HB2      ALA  81 -13.640   2.831  -4.962
  611    HB3  ALA  81           HB3      ALA  81 -13.615   4.345  -4.055
  612    H2   SHW 101           H2A      SHW 101   2.366   6.086   3.296
  613    H2A  SHW 101           H2B      SHW 101   3.705   5.871   2.172
  614    H3   SHW 101           H3A      SHW 101   3.175   4.195   4.666
  615    HO3  SHW 101           HO3      SHW 101   5.070   3.696   2.617
  616    H4   SHW 101           H4A      SHW 101   2.789   2.371   3.001
  617    H4A  SHW 101           H4B      SHW 101   2.892   3.571   1.722
  618    H5   SHW 101           H5A      SHW 101   0.953   4.719   2.630
  619    H5A  SHW 101           H5B      SHW 101   0.825   3.497   3.892
  620    H6   SHW 101           H6A      SHW 101  -0.739   3.010   2.114
  621    H6A  SHW 101           H6B      SHW 101   0.514   1.769   2.166
  622    H7   SHW 101           H7A      SHW 101   1.657   2.796   0.277
  623    H7A  SHW 101           H7B      SHW 101   0.459   4.106   0.253
  624    H8   SHW 101           H8C      SHW 101  -0.100   1.171  -0.162
  625    H8A  SHW 101           H8A      SHW 101  -0.031   2.398  -1.427
  626    H8B  SHW 101           H8B      SHW 101  -1.293   2.471  -0.201
  627    H28  SHW 101          H28A      SHW 101  11.034  11.985  -1.342
  628   H28A  SHW 101          H28B      SHW 101  10.111  10.602  -0.746
  629    H30  SHW 101          H30A      SHW 101  10.659  14.170  -0.541
  630   H30A  SHW 101          H30B      SHW 101  11.212  13.621   1.041
  631   H30B  SHW 101          H30C      SHW 101   9.678  14.480   0.891
  632    H31  SHW 101          H31A      SHW 101   7.718  13.342  -0.223
  633   H31A  SHW 101          H31B      SHW 101   7.936  11.723  -0.886
  634   H31B  SHW 101          H31C      SHW 101   8.739  13.098  -1.641
  635    H32  SHW 101          H32A      SHW 101   9.984  11.759   2.276
  636   HO33  SHW 101          H33A      SHW 101   7.382  12.198   2.254
  637   HN36  SHW 101          H36A      SHW 101  10.193   9.695   1.135
  638    H37  SHW 101          H37A      SHW 101   7.759   7.982   1.391
  639   H37A  SHW 101          H37B      SHW 101   8.826   7.875   0.019
  640    H38  SHW 101          H38A      SHW 101   9.415   6.086   1.341
  641   H38A  SHW 101          H38B      SHW 101  10.730   7.266   1.622
  642   HN41  SHW 101          H41A      SHW 101   8.033   8.285   3.118
  643    H42  SHW 101          H42A      SHW 101   8.318   6.723   5.536
  644   H42A  SHW 101          H42B      SHW 101   8.371   8.509   5.586
  645    H43  SHW 101          H43A      SHW 101   6.157   8.625   4.694
  646   H43A  SHW 101          H43B      SHW 101   6.071   7.443   6.030
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1 -17.370  -1.350  -1.929
    2    H2   ALA   1           HT2      ALA   1 -17.149  -2.746  -2.887
    3    H3   ALA   1           HT3      ALA   1 -16.050  -1.472  -2.987
    4    HA   ALA   1           HA       ALA   1 -15.293  -1.818  -0.803
    5    HB1  ALA   1           HB1      ALA   1 -17.406  -2.574   0.160
    6    HB2  ALA   1           HB2      ALA   1 -16.106  -3.711   0.512
    7    HB3  ALA   1           HB3      ALA   1 -17.283  -4.079  -0.751
    8    H    ALA   2           HN       ALA   2 -13.786  -3.823  -0.199
    9    HA   ALA   2           HA       ALA   2 -13.499  -5.670  -2.360
   10    HB1  ALA   2           HB1      ALA   2 -11.096  -5.170  -2.610
   11    HB2  ALA   2           HB2      ALA   2 -11.277  -3.789  -1.530
   12    HB3  ALA   2           HB3      ALA   2 -12.084  -3.790  -3.100
   13    H    THR   3           HN       THR   3 -12.671  -7.554  -1.563
   14    HA   THR   3           HA       THR   3 -12.754  -7.956   1.209
   15    HB   THR   3           HB       THR   3 -11.324  -9.794  -0.696
   16    HG1  THR   3           HG1      THR   3 -14.082  -9.034  -0.711
   17   HG21  THR   3          HG21      THR   3 -13.457 -10.204   1.418
   18   HG22  THR   3          HG22      THR   3 -11.727 -10.452   1.654
   19   HG23  THR   3          HG23      THR   3 -12.620 -11.480   0.534
   20    H    GLN   4           HN       GLN   4 -10.962  -8.221   2.641
   21    HA   GLN   4           HA       GLN   4  -9.046  -6.246   2.268
   22    HB2  GLN   4           HB2      GLN   4  -9.199  -8.397   4.329
   23    HB3  GLN   4           HB1      GLN   4  -8.097  -7.025   4.398
   24    HG2  GLN   4           HG2      GLN   4 -10.039  -5.487   4.343
   25    HG3  GLN   4           HG1      GLN   4 -11.059  -6.873   4.216
   26   HE21  GLN   4          HE21      GLN   4  -8.822  -5.324   6.461
   27   HE22  GLN   4          HE22      GLN   4  -9.474  -6.131   7.839
   28    H    GLU   5           HN       GLU   5  -8.822  -9.608   1.650
   29    HA   GLU   5           HA       GLU   5  -5.910  -9.725   1.603
   30    HB2  GLU   5           HB2      GLU   5  -7.834 -11.705   0.347
   31    HB3  GLU   5           HB1      GLU   5  -6.145 -11.971   0.708
   32    HG2  GLU   5           HG2      GLU   5  -7.482 -13.182   2.269
   33    HG3  GLU   5           HG1      GLU   5  -6.714 -11.850   3.140
   34    H    GLU   6           HN       GLU   6  -8.520  -9.455  -0.646
   35    HA   GLU   6           HA       GLU   6  -7.120  -9.334  -3.058
   36    HB2  GLU   6           HB2      GLU   6  -9.593  -9.562  -2.774
   37    HB3  GLU   6           HB1      GLU   6  -9.659  -7.897  -2.224
   38    HG2  GLU   6           HG2      GLU   6 -10.414  -7.959  -4.456
   39    HG3  GLU   6           HG1      GLU   6  -8.812  -7.226  -4.471
   40    H    ILE   7           HN       ILE   7  -7.875  -6.926  -0.608
   41    HA   ILE   7           HA       ILE   7  -6.893  -4.636  -1.941
   42    HB   ILE   7           HB       ILE   7  -6.925  -5.219   1.020
   43   HG12  ILE   7          HG12      ILE   7  -9.088  -4.043  -0.754
   44   HG13  ILE   7          HG11      ILE   7  -9.113  -5.565   0.094
   45   HG21  ILE   7          HG21      ILE   7  -7.037  -2.750   1.249
   46   HG22  ILE   7          HG22      ILE   7  -6.908  -2.595  -0.503
   47   HG23  ILE   7          HG23      ILE   7  -5.566  -3.268   0.424
   48   HD11  ILE   7          HD11      ILE   7  -9.112  -4.447   2.237
   49   HD12  ILE   7          HD12      ILE   7 -10.468  -3.920   1.243
   50   HD13  ILE   7          HD13      ILE   7  -9.053  -2.877   1.434
   51    H    VAL   8           HN       VAL   8  -5.420  -6.608   0.629
   52    HA   VAL   8           HA       VAL   8  -2.862  -5.613   0.532
   53    HB   VAL   8           HB       VAL   8  -3.872  -8.380   1.243
   54   HG11  VAL   8          HG11      VAL   8  -1.098  -7.267   1.700
   55   HG12  VAL   8          HG12      VAL   8  -1.540  -8.574   0.591
   56   HG13  VAL   8          HG13      VAL   8  -1.731  -8.797   2.332
   57   HG21  VAL   8          HG21      VAL   8  -2.957  -6.037   2.902
   58   HG22  VAL   8          HG22      VAL   8  -3.551  -7.571   3.542
   59   HG23  VAL   8          HG23      VAL   8  -4.621  -6.504   2.630
   60    H    ALA   9           HN       ALA   9  -4.298  -8.112  -1.491
   61    HA   ALA   9           HA       ALA   9  -1.951  -8.850  -2.886
   62    HB1  ALA   9           HB1      ALA   9  -3.452  -9.851  -4.532
   63    HB2  ALA   9           HB2      ALA   9  -4.815  -9.006  -3.800
   64    HB3  ALA   9           HB3      ALA   9  -3.951 -10.245  -2.885
   65    H    GLY  10           HN       GLY  10  -4.449  -6.447  -3.435
   66    HA2  GLY  10           HA2      GLY  10  -3.655  -5.533  -5.978
   67    HA3  GLY  10           HA1      GLY  10  -4.591  -4.636  -4.776
   68    H    LEU  11           HN       LEU  11  -2.752  -4.698  -2.732
   69    HA   LEU  11           HA       LEU  11  -1.015  -2.568  -3.399
   70    HB2  LEU  11           HB2      LEU  11  -0.986  -4.458  -1.046
   71    HB3  LEU  11           HB1      LEU  11  -0.026  -3.005  -1.181
   72    HG   LEU  11           HG       LEU  11  -3.041  -3.066  -1.099
   73   HD11  LEU  11          HD11      LEU  11  -1.037  -2.369   1.047
   74   HD12  LEU  11          HD12      LEU  11  -2.074  -3.794   1.017
   75   HD13  LEU  11          HD13      LEU  11  -2.787  -2.188   1.173
   76   HD21  LEU  11          HD21      LEU  11  -1.076  -0.784  -0.930
   77   HD22  LEU  11          HD22      LEU  11  -2.827  -0.657  -0.755
   78   HD23  LEU  11          HD23      LEU  11  -2.127  -1.146  -2.300
   79    H    ALA  12           HN       ALA  12  -0.483  -5.989  -2.715
   80    HA   ALA  12           HA       ALA  12   2.252  -6.151  -2.957
   81    HB1  ALA  12           HB1      ALA  12   1.928  -8.552  -3.274
   82    HB2  ALA  12           HB2      ALA  12   0.248  -8.273  -3.717
   83    HB3  ALA  12           HB3      ALA  12   0.795  -7.928  -2.081
   84    H    GLU  13           HN       GLU  13  -0.157  -6.464  -5.515
   85    HA   GLU  13           HA       GLU  13   1.677  -7.135  -7.579
   86    HB2  GLU  13           HB2      GLU  13  -0.099  -6.593  -9.178
   87    HB3  GLU  13           HB1      GLU  13  -0.713  -7.580  -7.861
   88    HG2  GLU  13           HG2      GLU  13  -1.756  -5.696  -6.854
   89    HG3  GLU  13           HG1      GLU  13  -0.986  -4.590  -7.979
   90    H    ILE  14           HN       ILE  14   0.755  -4.135  -6.277
   91    HA   ILE  14           HA       ILE  14   1.839  -2.530  -8.370
   92    HB   ILE  14           HB       ILE  14   0.873  -1.979  -5.572
   93   HG12  ILE  14          HG12      ILE  14  -0.254  -1.217  -8.250
   94   HG13  ILE  14          HG11      ILE  14  -0.691  -2.676  -7.366
   95   HG21  ILE  14          HG21      ILE  14   2.591  -0.344  -6.105
   96   HG22  ILE  14          HG22      ILE  14   0.991   0.405  -6.109
   97   HG23  ILE  14          HG23      ILE  14   1.792   0.015  -7.635
   98   HD11  ILE  14          HD11      ILE  14  -1.495  -1.329  -5.550
   99   HD12  ILE  14          HD12      ILE  14  -2.320  -0.936  -7.059
  100   HD13  ILE  14          HD13      ILE  14  -1.068   0.151  -6.416
  101    H    VAL  15           HN       VAL  15   2.655  -3.309  -5.023
  102    HA   VAL  15           HA       VAL  15   5.076  -1.995  -4.734
  103    HB   VAL  15           HB       VAL  15   4.224  -4.622  -3.489
  104   HG11  VAL  15          HG11      VAL  15   5.819  -4.105  -1.687
  105   HG12  VAL  15          HG12      VAL  15   6.367  -2.690  -2.588
  106   HG13  VAL  15          HG13      VAL  15   6.635  -4.307  -3.238
  107   HG21  VAL  15          HG21      VAL  15   2.670  -2.829  -3.047
  108   HG22  VAL  15          HG22      VAL  15   3.992  -1.797  -2.495
  109   HG23  VAL  15          HG23      VAL  15   3.561  -3.241  -1.580
  110    H    ASN  16           HN       ASN  16   4.465  -5.265  -5.936
  111    HA   ASN  16           HA       ASN  16   7.117  -6.082  -6.231
  112    HB2  ASN  16           HB2      ASN  16   4.980  -7.457  -6.480
  113    HB3  ASN  16           HB1      ASN  16   4.918  -6.859  -8.131
  114   HD21  ASN  16          HD21      ASN  16   7.698  -7.875  -6.194
  115   HD22  ASN  16          HD22      ASN  16   8.233  -9.097  -7.287
  116    H    GLU  17           HN       GLU  17   5.112  -4.078  -8.299
  117    HA   GLU  17           HA       GLU  17   6.959  -4.226 -10.503
  118    HB2  GLU  17           HB2      GLU  17   4.544  -4.110 -10.902
  119    HB3  GLU  17           HB1      GLU  17   4.486  -2.534 -10.128
  120    HG2  GLU  17           HG2      GLU  17   5.827  -1.576 -11.878
  121    HG3  GLU  17           HG1      GLU  17   6.063  -3.168 -12.602
  122    H    ILE  18           HN       ILE  18   5.989  -1.769  -8.154
  123    HA   ILE  18           HA       ILE  18   7.805   0.225  -9.314
  124    HB   ILE  18           HB       ILE  18   6.023   0.369  -6.867
  125   HG12  ILE  18          HG12      ILE  18   5.630   1.666  -9.514
  126   HG13  ILE  18          HG11      ILE  18   4.931   0.061  -9.185
  127   HG21  ILE  18          HG21      ILE  18   6.354   2.790  -7.041
  128   HG22  ILE  18          HG22      ILE  18   7.455   2.549  -8.397
  129   HG23  ILE  18          HG23      ILE  18   7.893   1.964  -6.792
  130   HD11  ILE  18          HD11      ILE  18   3.305   1.816  -8.926
  131   HD12  ILE  18          HD12      ILE  18   4.374   2.689  -7.825
  132   HD13  ILE  18          HD13      ILE  18   3.681   1.139  -7.343
  133    H    ALA  19           HN       ALA  19   7.374  -1.302  -6.145
  134    HA   ALA  19           HA       ALA  19   9.788  -0.200  -5.019
  135    HB1  ALA  19           HB1      ALA  19   9.218  -1.602  -3.114
  136    HB2  ALA  19           HB2      ALA  19   7.951  -2.389  -4.059
  137    HB3  ALA  19           HB3      ALA  19   7.821  -0.677  -3.663
  138    H    GLY  20           HN       GLY  20   8.725  -3.258  -6.386
  139    HA2  GLY  20           HA2      GLY  20  10.037  -4.892  -7.396
  140    HA3  GLY  20           HA1      GLY  20  11.482  -4.060  -6.832
  141    H    ILE  21           HN       ILE  21   8.743  -4.949  -4.899
  142    HA   ILE  21           HA       ILE  21  10.436  -6.860  -3.442
  143    HB   ILE  21           HB       ILE  21   8.125  -5.208  -2.336
  144   HG12  ILE  21          HG12      ILE  21  10.084  -3.774  -2.759
  145   HG13  ILE  21          HG11      ILE  21   9.784  -3.956  -1.038
  146   HG21  ILE  21          HG21      ILE  21   8.341  -7.350  -1.205
  147   HG22  ILE  21          HG22      ILE  21   8.848  -6.035  -0.137
  148   HG23  ILE  21          HG23      ILE  21  10.056  -7.039  -0.923
  149   HD11  ILE  21          HD11      ILE  21  11.897  -5.397  -2.630
  150   HD12  ILE  21          HD12      ILE  21  11.602  -5.590  -0.902
  151   HD13  ILE  21          HD13      ILE  21  12.160  -4.039  -1.533
  152    HA   PRO  22           HA       PRO  22   7.785 -10.224  -4.909
  153    HB2  PRO  22           HB2      PRO  22   7.833 -11.169  -2.191
  154    HB3  PRO  22           HB1      PRO  22   8.628 -11.837  -3.621
  155    HG2  PRO  22           HG2      PRO  22   9.717 -10.062  -1.535
  156    HG3  PRO  22           HG1      PRO  22  10.571 -11.125  -2.665
  157    HD2  PRO  22           HD2      PRO  22  10.693  -8.471  -2.966
  158    HD3  PRO  22           HD1      PRO  22  10.521  -9.567  -4.368
  159    H    VAL  23           HN       VAL  23   5.797 -10.182  -5.258
  160    HA   VAL  23           HA       VAL  23   3.688  -8.850  -4.012
  161    HB   VAL  23           HB       VAL  23   3.653 -11.538  -5.446
  162   HG11  VAL  23          HG11      VAL  23   1.583 -11.217  -4.235
  163   HG12  VAL  23          HG12      VAL  23   1.311 -11.089  -5.972
  164   HG13  VAL  23          HG13      VAL  23   1.370  -9.632  -4.980
  165   HG21  VAL  23          HG21      VAL  23   3.231  -8.771  -6.525
  166   HG22  VAL  23          HG22      VAL  23   3.019 -10.271  -7.433
  167   HG23  VAL  23          HG23      VAL  23   4.615  -9.819  -6.831
  168    H    GLU  24           HN       GLU  24   5.143 -11.879  -3.516
  169    HA   GLU  24           HA       GLU  24   3.121 -12.798  -1.824
  170    HB2  GLU  24           HB2      GLU  24   5.758 -14.070  -2.479
  171    HB3  GLU  24           HB1      GLU  24   4.474 -14.864  -1.580
  172    HG2  GLU  24           HG2      GLU  24   3.021 -14.819  -3.454
  173    HG3  GLU  24           HG1      GLU  24   4.121 -13.764  -4.348
  174    H    ASP  25           HN       ASP  25   5.957 -11.016  -1.327
  175    HA   ASP  25           HA       ASP  25   6.351 -11.911   1.425
  176    HB2  ASP  25           HB2      ASP  25   8.307 -11.363  -0.112
  177    HB3  ASP  25           HB1      ASP  25   7.788  -9.684  -0.027
  178    H    VAL  26           HN       VAL  26   4.643  -9.738  -0.366
  179    HA   VAL  26           HA       VAL  26   4.299  -7.738   1.663
  180    HB   VAL  26           HB       VAL  26   3.185  -8.078  -1.152
  181   HG11  VAL  26          HG11      VAL  26   2.530  -5.826   0.767
  182   HG12  VAL  26          HG12      VAL  26   1.422  -7.115   0.257
  183   HG13  VAL  26          HG13      VAL  26   2.043  -5.977  -0.936
  184   HG21  VAL  26          HG21      VAL  26   4.415  -6.025  -1.563
  185   HG22  VAL  26          HG22      VAL  26   5.487  -7.262  -0.890
  186   HG23  VAL  26          HG23      VAL  26   4.878  -5.957   0.132
  187    H    LYS  27           HN       LYS  27   3.670  -9.233   3.213
  188    HA   LYS  27           HA       LYS  27   0.852  -9.929   3.135
  189    HB2  LYS  27           HB2      LYS  27   1.743 -11.206   5.267
  190    HB3  LYS  27           HB1      LYS  27   1.784 -11.960   3.666
  191    HG2  LYS  27           HG2      LYS  27   4.145 -11.108   3.515
  192    HG3  LYS  27           HG1      LYS  27   4.017 -10.669   5.224
  193    HD2  LYS  27           HD2      LYS  27   3.611 -12.947   5.840
  194    HD3  LYS  27           HD1      LYS  27   3.493 -13.429   4.147
  195    HE2  LYS  27           HE2      LYS  27   5.831 -12.743   3.838
  196    HE3  LYS  27           HE1      LYS  27   5.906 -12.386   5.567
  197    HZ1  LYS  27           HZ1      LYS  27   5.546 -14.671   6.088
  198    HZ2  LYS  27           HZ2      LYS  27   6.792 -14.653   4.947
  199    HZ3  LYS  27           HZ3      LYS  27   5.220 -15.072   4.490
  200    H    LEU  28           HN       LEU  28   0.081  -9.886   5.620
  201    HA   LEU  28           HA       LEU  28  -0.081  -6.999   5.764
  202    HB2  LEU  28           HB2      LEU  28  -2.048  -8.612   5.743
  203    HB3  LEU  28           HB1      LEU  28  -1.640  -8.972   7.401
  204    HG   LEU  28           HG       LEU  28  -2.145  -6.127   6.732
  205   HD11  LEU  28          HD11      LEU  28  -4.571  -6.475   6.871
  206   HD12  LEU  28          HD12      LEU  28  -4.304  -8.225   6.900
  207   HD13  LEU  28          HD13      LEU  28  -3.865  -7.284   5.470
  208   HD21  LEU  28          HD21      LEU  28  -1.646  -6.831   9.038
  209   HD22  LEU  28          HD22      LEU  28  -3.053  -7.902   9.008
  210   HD23  LEU  28          HD23      LEU  28  -3.264  -6.151   8.885
  211    H    ASP  29           HN       ASP  29   2.108  -8.744   7.082
  212    HA   ASP  29           HA       ASP  29   2.196  -7.181   9.565
  213    HB2  ASP  29           HB2      ASP  29   3.872  -9.464   8.569
  214    HB3  ASP  29           HB1      ASP  29   4.208  -8.512  10.013
  215    H    LYS  30           HN       LYS  30   2.956  -6.763   6.487
  216    HA   LYS  30           HA       LYS  30   5.686  -5.936   6.860
  217    HB2  LYS  30           HB2      LYS  30   3.966  -6.134   4.440
  218    HB3  LYS  30           HB1      LYS  30   5.597  -5.503   4.423
  219    HG2  LYS  30           HG2      LYS  30   4.818  -8.255   5.355
  220    HG3  LYS  30           HG1      LYS  30   5.461  -7.872   3.756
  221    HD2  LYS  30           HD2      LYS  30   7.511  -6.991   4.836
  222    HD3  LYS  30           HD1      LYS  30   6.842  -7.457   6.395
  223    HE2  LYS  30           HE2      LYS  30   6.836  -9.776   5.784
  224    HE3  LYS  30           HE1      LYS  30   7.329  -9.381   4.140
  225    HZ1  LYS  30           HZ1      LYS  30   9.447  -8.714   4.885
  226    HZ2  LYS  30           HZ2      LYS  30   9.131 -10.182   5.687
  227    HZ3  LYS  30           HZ3      LYS  30   8.968  -8.692   6.491
  228    H    SER  31           HN       SER  31   6.090  -4.064   7.552
  229    HA   SER  31           HA       SER  31   4.489  -1.803   6.761
  230    HB2  SER  31           HB2      SER  31   5.594  -1.941   9.041
  231    HB3  SER  31           HB1      SER  31   7.139  -1.931   8.208
  232    HG   SER  31           HG       SER  31   5.487   0.131   7.438
  233    H    PHE  32           HN       PHE  32   4.749  -1.238   4.741
  234    HA   PHE  32           HA       PHE  32   6.276  -1.801   2.730
  235    HB2  PHE  32           HB2      PHE  32   5.307   0.866   3.558
  236    HB3  PHE  32           HB1      PHE  32   6.143   0.678   2.029
  237    HD1  PHE  32           HD1      PHE  32   5.164  -1.255   0.507
  238    HD2  PHE  32           HD2      PHE  32   3.127   0.597   3.720
  239    HE1  PHE  32           HE1      PHE  32   3.007  -1.976  -0.470
  240    HE2  PHE  32           HE2      PHE  32   0.956  -0.115   2.758
  241    HZ   PHE  32           HZ       PHE  32   0.965  -1.513   0.620
  242    H    THR  33           HN       THR  33   7.369   1.393   3.605
  243    HA   THR  33           HA       THR  33  10.008   0.607   3.120
  244    HB   THR  33           HB       THR  33   9.807   3.244   4.140
  245    HG1  THR  33           HG1      THR  33   7.848   3.866   3.308
  246   HG21  THR  33          HG21      THR  33   9.935   2.081   1.351
  247   HG22  THR  33          HG22      THR  33  11.314   2.338   2.406
  248   HG23  THR  33          HG23      THR  33  10.391   3.722   1.801
  249    H    ASP  34           HN       ASP  34   9.294  -0.845   5.327
  250    HA   ASP  34           HA       ASP  34  11.296   0.065   7.228
  251    HB2  ASP  34           HB2      ASP  34   9.385   0.961   8.305
  252    HB3  ASP  34           HB1      ASP  34   8.434  -0.487   8.023
  253    H    ASP  35           HN       ASP  35   8.869  -2.487   6.752
  254    HA   ASP  35           HA       ASP  35  10.769  -4.459   7.769
  255    HB2  ASP  35           HB2      ASP  35   8.197  -4.394   8.340
  256    HB3  ASP  35           HB1      ASP  35   8.022  -5.133   6.753
  257    H    LEU  36           HN       LEU  36   8.844  -3.798   4.865
  258    HA   LEU  36           HA       LEU  36  10.113  -5.804   3.251
  259    HB2  LEU  36           HB2      LEU  36   8.726  -3.234   2.425
  260    HB3  LEU  36           HB1      LEU  36   9.204  -4.506   1.326
  261    HG   LEU  36           HG       LEU  36   7.147  -4.843   3.508
  262   HD11  LEU  36          HD11      LEU  36   6.404  -3.218   1.848
  263   HD12  LEU  36          HD12      LEU  36   5.504  -4.723   1.703
  264   HD13  LEU  36          HD13      LEU  36   6.792  -4.353   0.554
  265   HD21  LEU  36          HD21      LEU  36   8.264  -6.915   2.802
  266   HD22  LEU  36          HD22      LEU  36   7.844  -6.567   1.122
  267   HD23  LEU  36          HD23      LEU  36   6.574  -6.873   2.308
  268    H    ASP  37           HN       ASP  37  10.338  -2.318   3.507
  269    HA   ASP  37           HA       ASP  37  12.032  -0.858   3.595
  270    HB2  ASP  37           HB2      ASP  37  13.184  -2.475   5.064
  271    HB3  ASP  37           HB1      ASP  37  13.861  -3.256   3.639
  272    H    VAL  38           HN       VAL  38  11.316  -0.276   1.526
  273    HA   VAL  38           HA       VAL  38  13.348  -0.966  -0.400
  274    HB   VAL  38           HB       VAL  38  11.351  -2.003  -1.078
  275   HG11  VAL  38          HG11      VAL  38   9.684  -0.806   0.119
  276   HG12  VAL  38          HG12      VAL  38   9.245  -0.894  -1.578
  277   HG13  VAL  38          HG13      VAL  38   9.842   0.613  -0.913
  278   HG21  VAL  38          HG21      VAL  38  12.686  -1.144  -2.883
  279   HG22  VAL  38          HG22      VAL  38  11.865   0.414  -2.803
  280   HG23  VAL  38          HG23      VAL  38  10.981  -1.022  -3.319
  281    H    ASP  39           HN       ASP  39  11.106   1.532  -1.109
  282    HA   ASP  39           HA       ASP  39  13.168   3.574  -0.730
  283    HB2  ASP  39           HB2      ASP  39  13.086   2.518  -3.204
  284    HB3  ASP  39           HB1      ASP  39  11.545   3.414  -3.130
  285    H    SER  40           HN       SER  40  12.031   5.608  -1.440
  286    HA   SER  40           HA       SER  40   9.459   5.626   0.007
  287    HB2  SER  40           HB2      SER  40  10.156   7.898   0.775
  288    HB3  SER  40           HB1      SER  40  11.175   6.574   1.362
  289    H    LEU  41           HN       LEU  41  11.386   7.301  -2.422
  290    HA   LEU  41           HA       LEU  41   9.242   8.802  -3.489
  291    HB2  LEU  41           HB2      LEU  41  11.767   7.821  -4.844
  292    HB3  LEU  41           HB1      LEU  41  10.676   9.023  -5.502
  293    HG   LEU  41           HG       LEU  41  12.345   9.331  -3.006
  294   HD11  LEU  41          HD11      LEU  41  13.548  11.014  -4.302
  295   HD12  LEU  41          HD12      LEU  41  12.567  10.629  -5.717
  296   HD13  LEU  41          HD13      LEU  41  13.662   9.419  -5.047
  297   HD21  LEU  41          HD21      LEU  41  11.553  11.649  -3.009
  298   HD22  LEU  41          HD22      LEU  41  10.216  10.514  -2.814
  299   HD23  LEU  41          HD23      LEU  41  10.498  11.284  -4.375
  300    H    SER  42           HN       SER  42  10.443   5.609  -3.910
  301    HA   SER  42           HA       SER  42   8.697   4.892  -6.075
  302    HB2  SER  42           HB2      SER  42  10.091   3.119  -4.068
  303    HB3  SER  42           HB1      SER  42   9.434   2.613  -5.625
  304    HG   SER  42           HG       SER  42  11.494   4.538  -5.251
  305    H    MET  43           HN       MET  43   8.538   4.955  -2.601
  306    HA   MET  43           HA       MET  43   6.340   3.250  -2.160
  307    HB2  MET  43           HB2      MET  43   7.943   4.066  -0.455
  308    HB3  MET  43           HB1      MET  43   7.161   5.642  -0.536
  309    HG2  MET  43           HG2      MET  43   6.425   4.223   1.319
  310    HG3  MET  43           HG1      MET  43   5.111   4.730   0.236
  311    HE1  MET  43           HE1      MET  43   7.104   0.590  -0.022
  312    HE2  MET  43           HE2      MET  43   7.636   1.880   1.069
  313    HE3  MET  43           HE3      MET  43   7.765   2.100  -0.672
  314    H    VAL  44           HN       VAL  44   6.664   6.692  -2.876
  315    HA   VAL  44           HA       VAL  44   4.000   7.401  -2.473
  316    HB   VAL  44           HB       VAL  44   5.958   8.718  -4.386
  317   HG11  VAL  44          HG11      VAL  44   3.668   9.453  -4.756
  318   HG12  VAL  44          HG12      VAL  44   4.627  10.748  -4.035
  319   HG13  VAL  44          HG13      VAL  44   3.498   9.831  -3.041
  320   HG21  VAL  44          HG21      VAL  44   6.909   8.567  -2.154
  321   HG22  VAL  44          HG22      VAL  44   5.450   9.278  -1.470
  322   HG23  VAL  44          HG23      VAL  44   6.482  10.235  -2.533
  323    H    GLU  45           HN       GLU  45   5.690   6.027  -5.283
  324    HA   GLU  45           HA       GLU  45   3.566   6.459  -7.093
  325    HB2  GLU  45           HB2      GLU  45   5.769   4.395  -7.160
  326    HB3  GLU  45           HB1      GLU  45   4.734   4.831  -8.511
  327    HG2  GLU  45           HG2      GLU  45   6.725   6.606  -7.132
  328    HG3  GLU  45           HG1      GLU  45   6.902   5.865  -8.721
  329    H    VAL  46           HN       VAL  46   4.478   3.930  -4.864
  330    HA   VAL  46           HA       VAL  46   2.545   2.003  -5.547
  331    HB   VAL  46           HB       VAL  46   3.698   2.605  -2.787
  332   HG11  VAL  46          HG11      VAL  46   3.108   0.285  -2.230
  333   HG12  VAL  46          HG12      VAL  46   2.342   0.108  -3.808
  334   HG13  VAL  46          HG13      VAL  46   1.682   1.243  -2.631
  335   HG21  VAL  46          HG21      VAL  46   4.604   0.635  -4.890
  336   HG22  VAL  46          HG22      VAL  46   5.271   0.776  -3.263
  337   HG23  VAL  46          HG23      VAL  46   5.446   2.109  -4.403
  338    H    VAL  47           HN       VAL  47   2.474   4.662  -3.223
  339    HA   VAL  47           HA       VAL  47  -0.130   4.557  -2.257
  340    HB   VAL  47           HB       VAL  47   1.434   7.030  -3.072
  341   HG11  VAL  47          HG11      VAL  47   0.084   8.232  -1.426
  342   HG12  VAL  47          HG12      VAL  47  -0.855   6.772  -1.133
  343   HG13  VAL  47          HG13      VAL  47  -0.912   7.551  -2.714
  344   HG21  VAL  47          HG21      VAL  47   1.320   5.583  -0.430
  345   HG22  VAL  47          HG22      VAL  47   2.134   7.121  -0.719
  346   HG23  VAL  47          HG23      VAL  47   2.696   5.657  -1.531
  347    H    VAL  48           HN       VAL  48   0.943   6.641  -4.916
  348    HA   VAL  48           HA       VAL  48  -1.470   7.408  -6.001
  349    HB   VAL  48           HB       VAL  48   1.108   6.852  -7.513
  350   HG11  VAL  48          HG11      VAL  48   0.290   8.438  -9.191
  351   HG12  VAL  48          HG12      VAL  48  -1.242   8.566  -8.329
  352   HG13  VAL  48          HG13      VAL  48  -0.772   7.035  -9.069
  353   HG21  VAL  48          HG21      VAL  48   1.517   9.254  -7.237
  354   HG22  VAL  48          HG22      VAL  48   1.383   8.431  -5.682
  355   HG23  VAL  48          HG23      VAL  48   0.035   9.392  -6.288
  356    H    ALA  49           HN       ALA  49   0.337   4.469  -6.900
  357    HA   ALA  49           HA       ALA  49  -1.569   3.648  -8.827
  358    HB1  ALA  49           HB1      ALA  49   0.765   2.905  -8.896
  359    HB2  ALA  49           HB2      ALA  49  -0.358   1.545  -8.913
  360    HB3  ALA  49           HB3      ALA  49   0.502   1.962  -7.432
  361    H    ALA  50           HN       ALA  50  -1.247   2.993  -5.373
  362    HA   ALA  50           HA       ALA  50  -3.221   0.942  -5.201
  363    HB1  ALA  50           HB1      ALA  50  -1.630   1.417  -3.372
  364    HB2  ALA  50           HB2      ALA  50  -3.305   1.491  -2.819
  365    HB3  ALA  50           HB3      ALA  50  -2.407   2.979  -3.119
  366    H    GLU  51           HN       GLU  51  -3.312   4.424  -5.037
  367    HA   GLU  51           HA       GLU  51  -6.014   4.795  -4.525
  368    HB2  GLU  51           HB2      GLU  51  -4.261   6.453  -6.333
  369    HB3  GLU  51           HB1      GLU  51  -5.764   6.956  -5.575
  370    HG2  GLU  51           HG2      GLU  51  -4.688   6.625  -3.362
  371    HG3  GLU  51           HG1      GLU  51  -3.173   6.307  -4.207
  372    H    GLU  52           HN       GLU  52  -4.335   4.266  -7.528
  373    HA   GLU  52           HA       GLU  52  -6.569   4.413  -9.282
  374    HB2  GLU  52           HB2      GLU  52  -4.384   4.754 -10.124
  375    HB3  GLU  52           HB1      GLU  52  -3.808   3.240  -9.471
  376    HG2  GLU  52           HG2      GLU  52  -4.019   3.140 -11.893
  377    HG3  GLU  52           HG1      GLU  52  -5.102   1.996 -11.106
  378    H    ARG  53           HN       ARG  53  -4.988   1.781  -7.590
  379    HA   ARG  53           HA       ARG  53  -6.092  -0.406  -8.987
  380    HB2  ARG  53           HB2      ARG  53  -4.003  -0.478  -7.758
  381    HB3  ARG  53           HB1      ARG  53  -4.823  -0.092  -6.272
  382    HG2  ARG  53           HG2      ARG  53  -4.174  -2.383  -6.237
  383    HG3  ARG  53           HG1      ARG  53  -5.925  -2.308  -6.359
  384    HD2  ARG  53           HD2      ARG  53  -4.215  -2.637  -8.806
  385    HD3  ARG  53           HD1      ARG  53  -4.571  -4.001  -7.776
  386    HE   ARG  53           HE       ARG  53  -6.731  -2.420  -9.042
  387   HH11  ARG  53          HH11      ARG  53  -5.208  -5.568  -8.314
  388   HH12  ARG  53          HH12      ARG  53  -6.606  -6.452  -8.666
  389   HH21  ARG  53          HH21      ARG  53  -8.588  -3.670  -9.636
  390   HH22  ARG  53          HH22      ARG  53  -8.575  -5.371  -9.469
  391    H    PHE  54           HN       PHE  54  -7.005   1.391  -6.152
  392    HA   PHE  54           HA       PHE  54  -9.270  -0.437  -5.754
  393    HB2  PHE  54           HB2      PHE  54  -7.929   1.410  -3.815
  394    HB3  PHE  54           HB1      PHE  54  -9.268   0.330  -3.465
  395    HD1  PHE  54           HD1      PHE  54  -8.687  -2.206  -4.396
  396    HD2  PHE  54           HD2      PHE  54  -5.897   0.707  -3.010
  397    HE1  PHE  54           HE1      PHE  54  -7.097  -3.973  -3.831
  398    HE2  PHE  54           HE2      PHE  54  -4.329  -1.095  -2.407
  399    HZ   PHE  54           HZ       PHE  54  -4.926  -3.409  -2.856
  400    H    ASP  55           HN       ASP  55  -8.564   2.662  -6.883
  401    HA   ASP  55           HA       ASP  55  -9.737   4.517  -7.410
  402    HB2  ASP  55           HB2      ASP  55 -12.118   2.749  -6.826
  403    HB3  ASP  55           HB1      ASP  55 -12.284   4.412  -7.362
  404    H    VAL  56           HN       VAL  56  -9.217   3.584  -4.603
  405    HA   VAL  56           HA       VAL  56 -11.073   4.790  -2.870
  406    HB   VAL  56           HB       VAL  56  -9.781   2.926  -2.109
  407   HG11  VAL  56          HG11      VAL  56  -7.373   3.022  -1.683
  408   HG12  VAL  56          HG12      VAL  56  -7.316   4.614  -2.445
  409   HG13  VAL  56          HG13      VAL  56  -7.766   3.197  -3.395
  410   HG21  VAL  56          HG21      VAL  56  -8.918   3.750   0.033
  411   HG22  VAL  56          HG22      VAL  56 -10.465   4.486  -0.392
  412   HG23  VAL  56          HG23      VAL  56  -8.969   5.399  -0.594
  413    H    LYS  57           HN       LYS  57  -7.945   5.928  -4.064
  414    HA   LYS  57           HA       LYS  57  -6.795   7.818  -3.913
  415    HB2  LYS  57           HB2      LYS  57  -9.474   9.109  -3.310
  416    HB3  LYS  57           HB1      LYS  57  -7.986  10.023  -3.477
  417    HG2  LYS  57           HG2      LYS  57  -9.223   8.306  -5.621
  418    HG3  LYS  57           HG1      LYS  57  -9.386  10.051  -5.500
  419    HD2  LYS  57           HD2      LYS  57  -6.712   8.673  -5.748
  420    HD3  LYS  57           HD1      LYS  57  -7.652   9.151  -7.156
  421    HE2  LYS  57           HE2      LYS  57  -6.010  10.845  -6.803
  422    HE3  LYS  57           HE1      LYS  57  -7.534  11.525  -6.260
  423    HZ1  LYS  57           HZ1      LYS  57  -6.820  11.261  -3.963
  424    HZ2  LYS  57           HZ2      LYS  57  -5.529  11.947  -4.819
  425    HZ3  LYS  57           HZ3      LYS  57  -5.503  10.329  -4.455
  426    H    ILE  58           HN       ILE  58  -5.361   8.068  -2.533
  427    HA   ILE  58           HA       ILE  58  -5.950   8.514   0.284
  428    HB   ILE  58           HB       ILE  58  -3.806   6.577  -0.681
  429   HG12  ILE  58          HG12      ILE  58  -6.462   5.842   0.583
  430   HG13  ILE  58          HG11      ILE  58  -6.057   5.607  -1.113
  431   HG21  ILE  58          HG21      ILE  58  -3.674   5.951   1.682
  432   HG22  ILE  58          HG22      ILE  58  -4.906   7.150   2.070
  433   HG23  ILE  58          HG23      ILE  58  -3.336   7.665   1.434
  434   HD11  ILE  58          HD11      ILE  58  -4.678   4.303   1.224
  435   HD12  ILE  58          HD12      ILE  58  -4.296   4.045  -0.481
  436   HD13  ILE  58          HD13      ILE  58  -5.862   3.547   0.163
  437    HA   PRO  59           HA       PRO  59  -3.159  11.526  -1.717
  438    HB2  PRO  59           HB2      PRO  59  -3.299  13.322   0.365
  439    HB3  PRO  59           HB1      PRO  59  -4.435  13.276  -0.989
  440    HG2  PRO  59           HG2      PRO  59  -4.714  12.130   1.761
  441    HG3  PRO  59           HG1      PRO  59  -5.920  12.973   0.769
  442    HD2  PRO  59           HD2      PRO  59  -5.925  10.313   1.015
  443    HD3  PRO  59           HD1      PRO  59  -6.352  11.099  -0.520
  444    H    ASP  60           HN       ASP  60  -1.028  11.479  -1.581
  445    HA   ASP  60           HA       ASP  60   0.634  10.207   0.053
  446    HB2  ASP  60           HB2      ASP  60   1.455  11.322  -1.928
  447    HB3  ASP  60           HB1      ASP  60   1.183  12.900  -1.193
  448    H    ASP  61           HN       ASP  61  -0.799  13.243   0.877
  449    HA   ASP  61           HA       ASP  61   0.741  14.017   3.114
  450    HB2  ASP  61           HB2      ASP  61  -2.256  14.319   2.848
  451    HB3  ASP  61           HB1      ASP  61  -1.187  15.243   3.884
  452    H    ASP  62           HN       ASP  62  -2.284  12.148   2.947
  453    HA   ASP  62           HA       ASP  62  -2.165  11.625   5.797
  454    HB2  ASP  62           HB2      ASP  62  -4.255  12.412   4.631
  455    HB3  ASP  62           HB1      ASP  62  -4.275  10.884   3.765
  456    H    VAL  63           HN       VAL  63  -1.446  10.059   2.874
  457    HA   VAL  63           HA       VAL  63  -1.740   7.377   3.657
  458    HB   VAL  63           HB       VAL  63  -1.259   8.316   1.291
  459   HG11  VAL  63          HG11      VAL  63   0.802   9.475   1.752
  460   HG12  VAL  63          HG12      VAL  63   1.048   8.221   0.538
  461   HG13  VAL  63          HG13      VAL  63   1.580   7.957   2.199
  462   HG21  VAL  63          HG21      VAL  63  -0.273   6.246   0.537
  463   HG22  VAL  63          HG22      VAL  63  -1.559   5.984   1.721
  464   HG23  VAL  63          HG23      VAL  63   0.139   5.831   2.204
  465    H    LYS  64           HN       LYS  64   0.569   9.741   4.525
  466    HA   LYS  64           HA       LYS  64   2.779   8.143   5.047
  467    HB2  LYS  64           HB2      LYS  64   2.031  10.748   6.365
  468    HB3  LYS  64           HB1      LYS  64   3.627  10.010   6.398
  469    HG2  LYS  64           HG2      LYS  64   3.761  10.204   3.962
  470    HG3  LYS  64           HG1      LYS  64   2.172  10.956   3.936
  471    HD2  LYS  64           HD2      LYS  64   3.101  12.753   5.416
  472    HD3  LYS  64           HD1      LYS  64   4.697  12.032   5.174
  473    HE2  LYS  64           HE2      LYS  64   2.877  13.102   3.010
  474    HE3  LYS  64           HE1      LYS  64   4.324  13.892   3.631
  475    HZ1  LYS  64           HZ1      LYS  64   4.342  11.228   2.315
  476    HZ2  LYS  64           HZ2      LYS  64   5.684  12.179   2.691
  477    HZ3  LYS  64           HZ3      LYS  64   4.590  12.661   1.499
  478    H    ASN  65           HN       ASN  65  -0.140   8.446   6.727
  479    HA   ASN  65           HA       ASN  65   0.894   7.673   9.307
  480    HB2  ASN  65           HB2      ASN  65  -1.963   7.865   8.344
  481    HB3  ASN  65           HB1      ASN  65  -1.474   7.546  10.000
  482   HD21  ASN  65          HD21      ASN  65  -1.898   9.902   7.552
  483   HD22  ASN  65          HD22      ASN  65  -1.591  11.294   8.520
  484    H    LEU  66           HN       LEU  66  -0.017   6.045   6.455
  485    HA   LEU  66           HA       LEU  66  -1.251   3.763   7.583
  486    HB2  LEU  66           HB2      LEU  66   0.179   3.967   4.930
  487    HB3  LEU  66           HB1      LEU  66  -0.880   2.664   5.412
  488    HG   LEU  66           HG       LEU  66  -1.667   5.526   4.847
  489   HD11  LEU  66          HD11      LEU  66  -2.984   4.523   3.052
  490   HD12  LEU  66          HD12      LEU  66  -2.308   2.943   3.453
  491   HD13  LEU  66          HD13      LEU  66  -1.255   4.234   2.869
  492   HD21  LEU  66          HD21      LEU  66  -3.970   4.807   5.209
  493   HD22  LEU  66          HD22      LEU  66  -3.013   4.659   6.685
  494   HD23  LEU  66          HD23      LEU  66  -3.397   3.229   5.725
  495    H    LYS  67           HN       LYS  67   1.962   3.878   6.052
  496    HA   LYS  67           HA       LYS  67   3.980   3.000   6.588
  497    HB2  LYS  67           HB2      LYS  67   2.698   2.276   9.216
  498    HB3  LYS  67           HB1      LYS  67   4.370   1.937   8.818
  499    HG2  LYS  67           HG2      LYS  67   4.822   4.313   8.653
  500    HG3  LYS  67           HG1      LYS  67   3.120   4.666   8.999
  501    HD2  LYS  67           HD2      LYS  67   4.794   2.975  10.788
  502    HD3  LYS  67           HD1      LYS  67   4.747   4.745  10.989
  503    HE2  LYS  67           HE2      LYS  67   2.337   4.601  11.362
  504    HE3  LYS  67           HE1      LYS  67   2.375   2.865  11.046
  505    HZ1  LYS  67           HZ1      LYS  67   3.607   2.495  12.991
  506    HZ2  LYS  67           HZ2      LYS  67   2.333   3.488  13.452
  507    HZ3  LYS  67           HZ3      LYS  67   3.885   4.143  13.263
  508    H    THR  68           HN       THR  68   1.348   0.910   7.552
  509    HA   THR  68           HA       THR  68   2.920  -1.332   6.514
  510    HB   THR  68           HB       THR  68   1.305  -2.804   7.733
  511    HG1  THR  68           HG1      THR  68   0.651  -0.638   9.395
  512   HG21  THR  68          HG21      THR  68   2.982  -0.911   9.378
  513   HG22  THR  68          HG22      THR  68   3.488  -2.404   8.559
  514   HG23  THR  68          HG23      THR  68   2.354  -2.490   9.910
  515    H    VAL  69           HN       VAL  69   1.850  -2.996   5.443
  516    HA   VAL  69           HA       VAL  69   0.036  -2.255   3.435
  517    HB   VAL  69           HB       VAL  69  -0.263  -4.788   3.241
  518   HG11  VAL  69          HG11      VAL  69   1.418  -3.530   1.902
  519   HG12  VAL  69          HG12      VAL  69   2.028  -5.119   2.358
  520   HG13  VAL  69          HG13      VAL  69   2.566  -3.684   3.231
  521   HG21  VAL  69          HG21      VAL  69   1.861  -4.720   5.330
  522   HG22  VAL  69          HG22      VAL  69   1.351  -6.146   4.426
  523   HG23  VAL  69          HG23      VAL  69   0.222  -5.337   5.513
  524    H    GLY  70           HN       GLY  70  -0.324  -3.775   6.561
  525    HA2  GLY  70           HA2      GLY  70  -3.049  -4.399   6.418
  526    HA3  GLY  70           HA1      GLY  70  -2.136  -4.170   7.905
  527    H    ASP  71           HN       ASP  71  -1.421  -1.500   7.736
  528    HA   ASP  71           HA       ASP  71  -3.864  -0.279   8.496
  529    HB2  ASP  71           HB2      ASP  71  -1.508   0.311   9.303
  530    HB3  ASP  71           HB1      ASP  71  -1.348   1.214   7.801
  531    H    ALA  72           HN       ALA  72  -1.881  -0.179   5.592
  532    HA   ALA  72           HA       ALA  72  -3.261   1.760   4.146
  533    HB1  ALA  72           HB1      ALA  72  -1.159   0.752   3.357
  534    HB2  ALA  72           HB2      ALA  72  -2.418   0.634   2.126
  535    HB3  ALA  72           HB3      ALA  72  -1.991  -0.780   3.089
  536    H    THR  73           HN       THR  73  -3.722  -1.794   3.848
  537    HA   THR  73           HA       THR  73  -6.091  -1.952   2.645
  538    HB   THR  73           HB       THR  73  -5.146  -3.584   5.002
  539    HG1  THR  73           HG1      THR  73  -3.587  -3.768   3.543
  540   HG21  THR  73          HG21      THR  73  -6.473  -5.395   3.949
  541   HG22  THR  73          HG22      THR  73  -7.035  -4.240   2.733
  542   HG23  THR  73          HG23      THR  73  -7.492  -4.029   4.417
  543    H    LYS  74           HN       LYS  74  -5.707  -1.464   6.218
  544    HA   LYS  74           HA       LYS  74  -8.406  -1.444   6.837
  545    HB2  LYS  74           HB2      LYS  74  -6.615  -1.667   8.477
  546    HB3  LYS  74           HB1      LYS  74  -6.112  -0.013   8.172
  547    HG2  LYS  74           HG2      LYS  74  -8.185   0.819   9.068
  548    HG3  LYS  74           HG1      LYS  74  -8.778  -0.830   9.287
  549    HD2  LYS  74           HD2      LYS  74  -6.956  -1.275  10.812
  550    HD3  LYS  74           HD1      LYS  74  -6.366   0.372  10.615
  551    HE2  LYS  74           HE2      LYS  74  -9.110  -0.329  11.667
  552    HE3  LYS  74           HE1      LYS  74  -7.732   0.105  12.675
  553    HZ1  LYS  74           HZ1      LYS  74  -7.698   2.278  11.750
  554    HZ2  LYS  74           HZ2      LYS  74  -9.290   1.956  12.215
  555    HZ3  LYS  74           HZ3      LYS  74  -8.871   1.916  10.583
  556    H    TYR  75           HN       TYR  75  -6.408   1.052   5.488
  557    HA   TYR  75           HA       TYR  75  -8.267   3.210   5.951
  558    HB2  TYR  75           HB2      TYR  75  -5.772   3.480   5.620
  559    HB3  TYR  75           HB1      TYR  75  -5.999   3.004   3.950
  560    HD1  TYR  75           HD2      TYR  75  -7.435   4.545   2.462
  561    HD2  TYR  75           HD1      TYR  75  -6.010   5.689   6.298
  562    HE1  TYR  75           HE2      TYR  75  -7.765   6.916   1.881
  563    HE2  TYR  75           HE1      TYR  75  -6.325   8.071   5.690
  564    HH   TYR  75           HH       TYR  75  -6.560   9.412   3.961
  565    H    ILE  76           HN       ILE  76  -7.183   1.245   3.269
  566    HA   ILE  76           HA       ILE  76  -8.885   2.199   1.286
  567    HB   ILE  76           HB       ILE  76  -7.558  -0.518   1.524
  568   HG12  ILE  76          HG12      ILE  76  -6.598   1.965   0.097
  569   HG13  ILE  76          HG11      ILE  76  -6.081   1.507   1.714
  570   HG21  ILE  76          HG21      ILE  76  -8.549   1.002  -0.897
  571   HG22  ILE  76          HG22      ILE  76  -9.355  -0.381  -0.170
  572   HG23  ILE  76          HG23      ILE  76  -7.761  -0.578  -0.910
  573   HD11  ILE  76          HD11      ILE  76  -4.450   0.876   0.038
  574   HD12  ILE  76          HD12      ILE  76  -5.666  -0.101  -0.790
  575   HD13  ILE  76          HD13      ILE  76  -5.136  -0.543   0.831
  576    H    LEU  77           HN       LEU  77  -9.215  -0.704   3.337
  577    HA   LEU  77           HA       LEU  77 -11.623  -1.671   2.303
  578    HB2  LEU  77           HB2      LEU  77 -10.244  -2.887   3.926
  579    HB3  LEU  77           HB1      LEU  77 -10.692  -1.738   5.173
  580    HG   LEU  77           HG       LEU  77 -13.092  -2.448   4.733
  581   HD11  LEU  77          HD11      LEU  77 -12.818  -3.536   2.642
  582   HD12  LEU  77          HD12      LEU  77 -13.444  -4.666   3.843
  583   HD13  LEU  77          HD13      LEU  77 -11.747  -4.734   3.368
  584   HD21  LEU  77          HD21      LEU  77 -12.909  -4.402   6.193
  585   HD22  LEU  77          HD22      LEU  77 -11.914  -3.054   6.748
  586   HD23  LEU  77          HD23      LEU  77 -11.165  -4.422   5.925
  587    H    ASP  78           HN       ASP  78 -11.056   0.851   4.584
  588    HA   ASP  78           HA       ASP  78 -13.919   1.105   5.187
  589    HB2  ASP  78           HB2      ASP  78 -12.342   1.351   7.035
  590    HB3  ASP  78           HB1      ASP  78 -11.583   2.716   6.223
  591    H    HIS  79           HN       HIS  79 -11.530   2.616   3.304
  592    HA   HIS  79           HA       HIS  79 -13.219   4.905   2.652
  593    HB2  HIS  79           HB2      HIS  79 -10.318   4.339   2.386
  594    HB3  HIS  79           HB1      HIS  79 -10.990   5.602   1.397
  595    HD1  HIS  79           HD1      HIS  79 -11.351   7.839   2.548
  596    HD2  HIS  79           HD2      HIS  79 -10.438   4.787   5.221
  597    HE1  HIS  79           HE1      HIS  79 -10.841   8.968   4.723
  598    HE2  HIS  79           HE2      HIS  79 -10.052   7.138   6.231
  599    H    GLN  80           HN       GLN  80 -12.982   1.923   1.529
  600    HA   GLN  80           HA       GLN  80 -12.570   1.640  -1.086
  601    HB2  GLN  80           HB2      GLN  80 -14.906   0.772   0.526
  602    HB3  GLN  80           HB1      GLN  80 -14.717   0.244  -1.149
  603    HG2  GLN  80           HG2      GLN  80 -12.851  -0.252   1.152
  604    HG3  GLN  80           HG1      GLN  80 -13.974  -1.423   0.478
  605   HE21  GLN  80          HE21      GLN  80 -11.172  -1.642   0.749
  606   HE22  GLN  80          HE22      GLN  80 -10.506  -1.830  -0.835
  607    H    ALA  81           HN       ALA  81 -13.381   2.196  -3.004
  608    HA   ALA  81           HA       ALA  81 -15.341   4.310  -3.076
  609    HB1  ALA  81           HB1      ALA  81 -13.608   3.151  -5.259
  610    HB2  ALA  81           HB2      ALA  81 -13.274   4.618  -4.337
  611    HB3  ALA  81           HB3      ALA  81 -14.663   4.554  -5.418
  612    H2   SHW 101           H2A      SHW 101   3.286   6.740   3.047
  613    H2A  SHW 101           H2B      SHW 101   4.024   5.763   1.773
  614    H3   SHW 101           H3A      SHW 101   3.765   5.120   4.745
  615    HO3  SHW 101           HO3      SHW 101   4.834   3.439   2.689
  616    H4   SHW 101           H4A      SHW 101   1.693   4.911   3.433
  617    H4A  SHW 101           H4B      SHW 101   2.269   3.343   3.980
  618    H5   SHW 101           H5A      SHW 101   3.179   2.886   1.768
  619    H5A  SHW 101           H5B      SHW 101   2.662   4.478   1.214
  620    H6   SHW 101           H6A      SHW 101   0.343   3.881   1.632
  621    H6A  SHW 101           H6B      SHW 101   0.845   2.278   2.186
  622    H7   SHW 101           H7A      SHW 101   1.751   1.783  -0.023
  623    H7A  SHW 101           H7B      SHW 101   1.294   3.407  -0.581
  624    H8   SHW 101           H8C      SHW 101  -0.578   1.273   0.437
  625    H8A  SHW 101           H8A      SHW 101  -0.355   1.725  -1.252
  626    H8B  SHW 101           H8B      SHW 101  -1.049   2.881  -0.116
  627    H28  SHW 101          H28A      SHW 101  13.864  10.910   1.868
  628   H28A  SHW 101          H28B      SHW 101  12.141  11.141   2.184
  629    H30  SHW 101          H30A      SHW 101  15.274   9.675   3.517
  630   H30A  SHW 101          H30B      SHW 101  14.096   8.364   3.571
  631   H30B  SHW 101          H30C      SHW 101  14.594   9.162   5.064
  632    H31  SHW 101          H31A      SHW 101  13.904  11.539   5.489
  633   H31A  SHW 101          H31B      SHW 101  12.932  12.385   4.284
  634   H31B  SHW 101          H31C      SHW 101  14.612  11.975   3.931
  635    H32  SHW 101          H32A      SHW 101  12.197   9.656   5.685
  636   HO33  SHW 101          H33A      SHW 101  10.378  10.522   3.857
  637   HN36  SHW 101          H36A      SHW 101  12.659   7.471   4.971
  638    H37  SHW 101          H37A      SHW 101  10.588   6.275   3.178
  639   H37A  SHW 101          H37B      SHW 101  12.174   5.616   3.473
  640    H38  SHW 101          H38A      SHW 101  10.709   4.239   4.588
  641   H38A  SHW 101          H38B      SHW 101  11.487   5.184   5.890
  642   HN41  SHW 101          H41A      SHW 101   9.282   7.129   4.355
  643    H42  SHW 101          H42A      SHW 101   6.821   6.160   4.976
  644   H42A  SHW 101          H42B      SHW 101   7.334   7.121   6.386
  645    H43  SHW 101          H43A      SHW 101   7.490   8.085   3.549
  646   H43A  SHW 101          H43B      SHW 101   7.265   9.126   4.999
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1 -15.818  -1.921  -3.262
    2    H2   ALA   1           HT2      ALA   1 -16.897  -1.065  -2.327
    3    H3   ALA   1           HT3      ALA   1 -17.217  -2.700  -2.760
    4    HA   ALA   1           HA       ALA   1 -15.005  -1.790  -1.025
    5    HB1  ALA   1           HB1      ALA   1 -16.176  -3.068   0.730
    6    HB2  ALA   1           HB2      ALA   1 -17.483  -3.409  -0.401
    7    HB3  ALA   1           HB3      ALA   1 -17.177  -1.750   0.117
    8    H    ALA   2           HN       ALA   2 -13.686  -3.708  -0.204
    9    HA   ALA   2           HA       ALA   2 -14.030  -6.085  -1.823
   10    HB1  ALA   2           HB1      ALA   2 -11.711  -6.028  -2.616
   11    HB2  ALA   2           HB2      ALA   2 -11.496  -4.437  -1.888
   12    HB3  ALA   2           HB3      ALA   2 -12.624  -4.647  -3.229
   13    H    THR   3           HN       THR   3 -12.857  -7.866  -0.956
   14    HA   THR   3           HA       THR   3 -12.665  -7.774   1.836
   15    HB   THR   3           HB       THR   3 -11.612 -10.060   1.569
   16    HG1  THR   3           HG1      THR   3 -11.427 -10.924  -0.402
   17   HG21  THR   3          HG21      THR   3 -13.650 -11.121   0.705
   18   HG22  THR   3          HG22      THR   3 -14.184  -9.568   0.060
   19   HG23  THR   3          HG23      THR   3 -14.031  -9.795   1.802
   20    H    GLN   4           HN       GLN   4 -10.894  -7.803   3.145
   21    HA   GLN   4           HA       GLN   4  -8.899  -6.007   2.387
   22    HB2  GLN   4           HB2      GLN   4  -9.042  -7.822   4.775
   23    HB3  GLN   4           HB1      GLN   4  -7.952  -6.446   4.601
   24    HG2  GLN   4           HG2      GLN   4  -9.888  -4.950   4.368
   25    HG3  GLN   4           HG1      GLN   4 -10.955  -6.304   4.544
   26   HE21  GLN   4          HE21      GLN   4  -9.268  -7.612   6.599
   27   HE22  GLN   4          HE22      GLN   4  -9.520  -6.701   8.036
   28    H    GLU   5           HN       GLU   5  -8.969  -9.393   2.263
   29    HA   GLU   5           HA       GLU   5  -6.145  -9.928   1.900
   30    HB2  GLU   5           HB2      GLU   5  -8.497 -11.439   0.778
   31    HB3  GLU   5           HB1      GLU   5  -6.847 -12.029   0.937
   32    HG2  GLU   5           HG2      GLU   5  -7.043 -11.984   3.337
   33    HG3  GLU   5           HG1      GLU   5  -8.665 -11.299   3.210
   34    H    GLU   6           HN       GLU   6  -8.779  -9.096  -0.225
   35    HA   GLU   6           HA       GLU   6  -7.310  -9.468  -2.610
   36    HB2  GLU   6           HB2      GLU   6  -9.825  -9.471  -2.328
   37    HB3  GLU   6           HB1      GLU   6  -9.723  -7.727  -2.142
   38    HG2  GLU   6           HG2      GLU   6 -10.348  -8.173  -4.379
   39    HG3  GLU   6           HG1      GLU   6  -8.658  -7.654  -4.405
   40    H    ILE   7           HN       ILE   7  -7.989  -6.897  -0.400
   41    HA   ILE   7           HA       ILE   7  -6.938  -4.711  -1.812
   42    HB   ILE   7           HB       ILE   7  -6.997  -5.197   1.172
   43   HG12  ILE   7          HG12      ILE   7  -9.103  -4.071  -0.699
   44   HG13  ILE   7          HG11      ILE   7  -9.173  -5.500   0.283
   45   HG21  ILE   7          HG21      ILE   7  -7.005  -2.751   1.350
   46   HG22  ILE   7          HG22      ILE   7  -6.865  -2.624  -0.406
   47   HG23  ILE   7          HG23      ILE   7  -5.554  -3.334   0.535
   48   HD11  ILE   7          HD11      ILE   7  -9.046  -2.716   1.387
   49   HD12  ILE   7          HD12      ILE   7  -9.189  -4.212   2.312
   50   HD13  ILE   7          HD13      ILE   7 -10.497  -3.708   1.238
   51    H    VAL   8           HN       VAL   8  -5.469  -6.682   0.777
   52    HA   VAL   8           HA       VAL   8  -2.850  -5.757   0.555
   53    HB   VAL   8           HB       VAL   8  -3.890  -8.486   1.406
   54   HG11  VAL   8          HG11      VAL   8  -1.728  -8.816   2.519
   55   HG12  VAL   8          HG12      VAL   8  -1.130  -7.315   1.793
   56   HG13  VAL   8          HG13      VAL   8  -1.562  -8.686   0.767
   57   HG21  VAL   8          HG21      VAL   8  -4.675  -6.616   2.770
   58   HG22  VAL   8          HG22      VAL   8  -3.034  -6.062   2.988
   59   HG23  VAL   8          HG23      VAL   8  -3.538  -7.605   3.687
   60    H    ALA   9           HN       ALA   9  -4.473  -8.293  -1.308
   61    HA   ALA   9           HA       ALA   9  -2.247  -9.213  -2.695
   62    HB1  ALA   9           HB1      ALA   9  -4.368 -10.426  -2.671
   63    HB2  ALA   9           HB2      ALA   9  -3.849 -10.119  -4.327
   64    HB3  ALA   9           HB3      ALA   9  -5.129  -9.139  -3.608
   65    H    GLY  10           HN       GLY  10  -4.597  -6.671  -3.408
   66    HA2  GLY  10           HA2      GLY  10  -3.582  -5.806  -5.878
   67    HA3  GLY  10           HA1      GLY  10  -4.540  -4.837  -4.762
   68    H    LEU  11           HN       LEU  11  -2.769  -4.916  -2.561
   69    HA   LEU  11           HA       LEU  11  -0.955  -2.879  -3.170
   70    HB2  LEU  11           HB2      LEU  11  -1.294  -4.765  -0.875
   71    HB3  LEU  11           HB1      LEU  11  -0.022  -3.584  -0.871
   72    HG   LEU  11           HG       LEU  11  -2.977  -2.960  -1.014
   73   HD11  LEU  11          HD11      LEU  11  -2.698  -2.212   1.300
   74   HD12  LEU  11          HD12      LEU  11  -1.025  -2.780   1.279
   75   HD13  LEU  11          HD13      LEU  11  -2.353  -3.932   1.127
   76   HD21  LEU  11          HD21      LEU  11  -0.583  -1.161  -0.618
   77   HD22  LEU  11          HD22      LEU  11  -2.270  -0.659  -0.555
   78   HD23  LEU  11          HD23      LEU  11  -1.582  -1.246  -2.069
   79    H    ALA  12           HN       ALA  12  -0.524  -6.317  -2.534
   80    HA   ALA  12           HA       ALA  12   2.213  -6.515  -2.745
   81    HB1  ALA  12           HB1      ALA  12   1.863  -8.892  -3.148
   82    HB2  ALA  12           HB2      ALA  12   0.193  -8.590  -3.595
   83    HB3  ALA  12           HB3      ALA  12   0.727  -8.303  -1.939
   84    H    GLU  13           HN       GLU  13  -0.192  -6.720  -5.336
   85    HA   GLU  13           HA       GLU  13   1.766  -7.229  -7.316
   86    HB2  GLU  13           HB2      GLU  13   0.020  -6.603  -9.007
   87    HB3  GLU  13           HB1      GLU  13  -0.456  -7.889  -7.904
   88    HG2  GLU  13           HG2      GLU  13  -1.742  -6.280  -6.621
   89    HG3  GLU  13           HG1      GLU  13  -1.236  -5.003  -7.716
   90    H    ILE  14           HN       ILE  14   0.427  -4.220  -6.269
   91    HA   ILE  14           HA       ILE  14   1.699  -2.580  -8.169
   92    HB   ILE  14           HB       ILE  14   0.786  -2.032  -5.347
   93   HG12  ILE  14          HG12      ILE  14  -0.468  -1.341  -7.987
   94   HG13  ILE  14          HG11      ILE  14  -0.851  -2.781  -7.047
   95   HG21  ILE  14          HG21      ILE  14   2.452  -0.377  -5.999
   96   HG22  ILE  14          HG22      ILE  14   0.840   0.350  -5.957
   97   HG23  ILE  14          HG23      ILE  14   1.582  -0.078  -7.505
   98   HD11  ILE  14          HD11      ILE  14  -1.159   0.042  -6.104
   99   HD12  ILE  14          HD12      ILE  14  -1.563  -1.463  -5.237
  100   HD13  ILE  14          HD13      ILE  14  -2.445  -1.025  -6.708
  101    H    VAL  15           HN       VAL  15   2.569  -3.566  -4.896
  102    HA   VAL  15           HA       VAL  15   4.953  -2.148  -4.646
  103    HB   VAL  15           HB       VAL  15   4.120  -4.746  -3.329
  104   HG11  VAL  15          HG11      VAL  15   5.796  -4.253  -1.611
  105   HG12  VAL  15          HG12      VAL  15   6.338  -2.851  -2.533
  106   HG13  VAL  15          HG13      VAL  15   6.559  -4.478  -3.184
  107   HG21  VAL  15          HG21      VAL  15   4.020  -1.897  -2.402
  108   HG22  VAL  15          HG22      VAL  15   3.574  -3.312  -1.444
  109   HG23  VAL  15          HG23      VAL  15   2.652  -2.896  -2.890
  110    H    ASN  16           HN       ASN  16   4.324  -5.297  -6.061
  111    HA   ASN  16           HA       ASN  16   7.040  -5.974  -6.354
  112    HB2  ASN  16           HB2      ASN  16   5.146  -7.587  -6.556
  113    HB3  ASN  16           HB1      ASN  16   4.798  -6.902  -8.139
  114   HD21  ASN  16          HD21      ASN  16   7.178  -8.527  -6.254
  115   HD22  ASN  16          HD22      ASN  16   8.062  -9.258  -7.538
  116    H    GLU  17           HN       GLU  17   4.891  -4.086  -8.290
  117    HA   GLU  17           HA       GLU  17   6.656  -3.970 -10.544
  118    HB2  GLU  17           HB2      GLU  17   4.223  -3.758 -10.800
  119    HB3  GLU  17           HB1      GLU  17   4.255  -2.275  -9.861
  120    HG2  GLU  17           HG2      GLU  17   5.635  -1.220 -11.590
  121    HG3  GLU  17           HG1      GLU  17   5.570  -2.718 -12.527
  122    H    ILE  18           HN       ILE  18   5.738  -1.679  -7.985
  123    HA   ILE  18           HA       ILE  18   7.612   0.299  -9.004
  124    HB   ILE  18           HB       ILE  18   5.780   0.404  -6.578
  125   HG12  ILE  18          HG12      ILE  18   5.528   1.808  -9.185
  126   HG13  ILE  18          HG11      ILE  18   4.768   0.221  -8.953
  127   HG21  ILE  18          HG21      ILE  18   7.343   2.573  -7.971
  128   HG22  ILE  18          HG22      ILE  18   7.689   1.905  -6.374
  129   HG23  ILE  18          HG23      ILE  18   6.198   2.807  -6.649
  130   HD11  ILE  18          HD11      ILE  18   4.239   2.806  -7.511
  131   HD12  ILE  18          HD12      ILE  18   3.480   1.265  -7.113
  132   HD13  ILE  18          HD13      ILE  18   3.188   2.012  -8.682
  133    H    ALA  19           HN       ALA  19   7.235  -1.434  -5.894
  134    HA   ALA  19           HA       ALA  19   9.701  -0.391  -4.808
  135    HB1  ALA  19           HB1      ALA  19   7.820  -0.943  -3.385
  136    HB2  ALA  19           HB2      ALA  19   9.236  -1.906  -2.965
  137    HB3  ALA  19           HB3      ALA  19   7.917  -2.631  -3.888
  138    H    GLY  20           HN       GLY  20   8.571  -3.261  -6.420
  139    HA2  GLY  20           HA2      GLY  20   9.778  -4.881  -7.568
  140    HA3  GLY  20           HA1      GLY  20  11.274  -4.197  -6.940
  141    H    ILE  21           HN       ILE  21   8.520  -5.032  -5.016
  142    HA   ILE  21           HA       ILE  21  10.226  -6.958  -3.620
  143    HB   ILE  21           HB       ILE  21   7.891  -5.332  -2.583
  144   HG12  ILE  21          HG12      ILE  21   9.866  -3.965  -2.857
  145   HG13  ILE  21          HG11      ILE  21   9.599  -4.254  -1.142
  146   HG21  ILE  21          HG21      ILE  21   7.908  -7.493  -1.499
  147   HG22  ILE  21          HG22      ILE  21   8.413  -6.236  -0.369
  148   HG23  ILE  21          HG23      ILE  21   9.614  -7.302  -1.098
  149   HD11  ILE  21          HD11      ILE  21  11.611  -5.660  -2.888
  150   HD12  ILE  21          HD12      ILE  21  11.353  -5.963  -1.169
  151   HD13  ILE  21          HD13      ILE  21  11.953  -4.394  -1.709
  152    HA   PRO  22           HA       PRO  22   7.830 -10.587  -4.893
  153    HB2  PRO  22           HB2      PRO  22   8.097 -11.188  -2.058
  154    HB3  PRO  22           HB1      PRO  22   8.756 -12.046  -3.452
  155    HG2  PRO  22           HG2      PRO  22  10.056 -10.112  -1.709
  156    HG3  PRO  22           HG1      PRO  22  10.779 -11.170  -2.934
  157    HD2  PRO  22           HD2      PRO  22  10.673  -8.483  -3.244
  158    HD3  PRO  22           HD1      PRO  22  10.511  -9.629  -4.607
  159    H    VAL  23           HN       VAL  23   5.851 -10.705  -5.169
  160    HA   VAL  23           HA       VAL  23   3.830  -9.248  -3.902
  161    HB   VAL  23           HB       VAL  23   3.684 -11.871  -5.447
  162   HG11  VAL  23          HG11      VAL  23   1.437  -9.970  -4.800
  163   HG12  VAL  23          HG12      VAL  23   1.646 -11.588  -4.139
  164   HG13  VAL  23          HG13      VAL  23   1.327 -11.374  -5.863
  165   HG21  VAL  23          HG21      VAL  23   3.015 -10.463  -7.340
  166   HG22  VAL  23          HG22      VAL  23   4.625 -10.063  -6.748
  167   HG23  VAL  23          HG23      VAL  23   3.255  -9.028  -6.346
  168    H    GLU  24           HN       GLU  24   5.426 -12.152  -3.062
  169    HA   GLU  24           HA       GLU  24   3.371 -12.810  -1.244
  170    HB2  GLU  24           HB2      GLU  24   5.795 -14.407  -2.017
  171    HB3  GLU  24           HB1      GLU  24   4.581 -14.969  -0.869
  172    HG2  GLU  24           HG2      GLU  24   2.883 -14.845  -2.532
  173    HG3  GLU  24           HG1      GLU  24   4.023 -14.178  -3.704
  174    H    ASP  25           HN       ASP  25   6.173 -11.072  -1.186
  175    HA   ASP  25           HA       ASP  25   6.936 -11.695   1.557
  176    HB2  ASP  25           HB2      ASP  25   8.626 -10.984  -0.202
  177    HB3  ASP  25           HB1      ASP  25   7.873  -9.397  -0.183
  178    H    VAL  26           HN       VAL  26   5.068  -9.577  -0.314
  179    HA   VAL  26           HA       VAL  26   4.421  -7.655   1.682
  180    HB   VAL  26           HB       VAL  26   3.130  -8.355  -0.985
  181   HG11  VAL  26          HG11      VAL  26   1.467  -7.411   0.516
  182   HG12  VAL  26          HG12      VAL  26   1.883  -6.299  -0.788
  183   HG13  VAL  26          HG13      VAL  26   2.526  -6.028   0.845
  184   HG21  VAL  26          HG21      VAL  26   4.141  -6.263  -1.717
  185   HG22  VAL  26          HG22      VAL  26   5.372  -7.367  -1.088
  186   HG23  VAL  26          HG23      VAL  26   4.799  -6.021  -0.101
  187    H    LYS  27           HN       LYS  27   3.952  -8.954   3.356
  188    HA   LYS  27           HA       LYS  27   1.460 -10.533   3.436
  189    HB2  LYS  27           HB2      LYS  27   3.605 -10.026   5.529
  190    HB3  LYS  27           HB1      LYS  27   2.332 -11.249   5.610
  191    HG2  LYS  27           HG2      LYS  27   3.273 -12.468   3.790
  192    HG3  LYS  27           HG1      LYS  27   4.421 -11.182   3.453
  193    HD2  LYS  27           HD2      LYS  27   5.419 -11.621   5.715
  194    HD3  LYS  27           HD1      LYS  27   4.369 -13.043   5.817
  195    HE2  LYS  27           HE2      LYS  27   5.334 -13.950   3.802
  196    HE3  LYS  27           HE1      LYS  27   6.312 -12.510   3.582
  197    HZ1  LYS  27           HZ1      LYS  27   6.614 -14.583   5.710
  198    HZ2  LYS  27           HZ2      LYS  27   7.351 -13.085   5.808
  199    HZ3  LYS  27           HZ3      LYS  27   7.735 -14.121   4.539
  200    H    LEU  28           HN       LEU  28   1.228  -9.706   6.371
  201    HA   LEU  28           HA       LEU  28  -0.080  -7.146   5.677
  202    HB2  LEU  28           HB2      LEU  28  -1.514  -9.219   6.132
  203    HB3  LEU  28           HB1      LEU  28  -1.027  -9.047   7.803
  204    HG   LEU  28           HG       LEU  28  -2.286  -6.760   6.395
  205   HD11  LEU  28          HD11      LEU  28  -4.490  -7.594   7.098
  206   HD12  LEU  28          HD12      LEU  28  -3.722  -9.093   7.658
  207   HD13  LEU  28          HD13      LEU  28  -3.701  -8.669   5.937
  208   HD21  LEU  28          HD21      LEU  28  -3.169  -6.270   8.649
  209   HD22  LEU  28          HD22      LEU  28  -1.409  -6.402   8.655
  210   HD23  LEU  28          HD23      LEU  28  -2.396  -7.733   9.260
  211    H    ASP  29           HN       ASP  29   2.137  -8.599   7.712
  212    HA   ASP  29           HA       ASP  29   2.117  -6.525   9.781
  213    HB2  ASP  29           HB2      ASP  29   2.634  -8.768  10.482
  214    HB3  ASP  29           HB1      ASP  29   3.869  -8.939   9.248
  215    H    LYS  30           HN       LYS  30   3.097  -6.772   6.784
  216    HA   LYS  30           HA       LYS  30   5.807  -5.872   6.879
  217    HB2  LYS  30           HB2      LYS  30   3.893  -6.506   4.706
  218    HB3  LYS  30           HB1      LYS  30   5.435  -5.730   4.366
  219    HG2  LYS  30           HG2      LYS  30   5.259  -8.260   5.956
  220    HG3  LYS  30           HG1      LYS  30   5.325  -8.256   4.188
  221    HD2  LYS  30           HD2      LYS  30   7.409  -6.891   4.327
  222    HD3  LYS  30           HD1      LYS  30   7.333  -7.046   6.069
  223    HE2  LYS  30           HE2      LYS  30   7.297  -9.504   4.390
  224    HE3  LYS  30           HE1      LYS  30   8.817  -8.662   4.684
  225    HZ1  LYS  30           HZ1      LYS  30   7.012  -9.615   6.875
  226    HZ2  LYS  30           HZ2      LYS  30   8.525  -8.895   6.978
  227    HZ3  LYS  30           HZ3      LYS  30   8.384 -10.424   6.279
  228    H    SER  31           HN       SER  31   5.942  -3.810   7.746
  229    HA   SER  31           HA       SER  31   4.532  -1.654   6.676
  230    HB2  SER  31           HB2      SER  31   7.259  -1.728   7.950
  231    HB3  SER  31           HB1      SER  31   6.074  -0.413   7.950
  232    HG   SER  31           HG       SER  31   6.310  -2.588   9.558
  233    H    PHE  32           HN       PHE  32   4.731  -1.354   4.522
  234    HA   PHE  32           HA       PHE  32   6.358  -1.956   2.562
  235    HB2  PHE  32           HB2      PHE  32   5.388   0.809   3.110
  236    HB3  PHE  32           HB1      PHE  32   6.096   0.347   1.580
  237    HD1  PHE  32           HD1      PHE  32   4.888  -1.444   0.247
  238    HD2  PHE  32           HD2      PHE  32   3.200   0.460   3.621
  239    HE1  PHE  32           HE1      PHE  32   2.658  -2.193  -0.468
  240    HE2  PHE  32           HE2      PHE  32   0.950  -0.279   2.909
  241    HZ   PHE  32           HZ       PHE  32   0.671  -1.494   0.800
  242    H    THR  33           HN       THR  33   7.189   1.317   3.723
  243    HA   THR  33           HA       THR  33   9.875   0.893   2.983
  244    HB   THR  33           HB       THR  33   9.769   3.299   4.220
  245    HG1  THR  33           HG1      THR  33   7.510   4.046   3.513
  246   HG21  THR  33          HG21      THR  33  10.572   2.772   1.973
  247   HG22  THR  33          HG22      THR  33   9.437   4.119   1.887
  248   HG23  THR  33          HG23      THR  33   8.938   2.493   1.421
  249    H    ASP  34           HN       ASP  34   9.491  -0.918   4.897
  250    HA   ASP  34           HA       ASP  34  11.481  -0.158   6.839
  251    HB2  ASP  34           HB2      ASP  34   9.546   0.638   8.011
  252    HB3  ASP  34           HB1      ASP  34   8.693  -0.873   7.723
  253    H    ASP  35           HN       ASP  35   8.966  -2.615   6.400
  254    HA   ASP  35           HA       ASP  35  10.910  -4.690   7.117
  255    HB2  ASP  35           HB2      ASP  35   8.378  -4.405   7.936
  256    HB3  ASP  35           HB1      ASP  35   8.079  -5.348   6.476
  257    H    LEU  36           HN       LEU  36   8.890  -3.615   4.463
  258    HA   LEU  36           HA       LEU  36   9.575  -5.835   2.738
  259    HB2  LEU  36           HB2      LEU  36   8.207  -3.200   2.188
  260    HB3  LEU  36           HB1      LEU  36   8.508  -4.398   0.950
  261    HG   LEU  36           HG       LEU  36   6.790  -4.881   3.388
  262   HD11  LEU  36          HD11      LEU  36   5.802  -3.181   1.912
  263   HD12  LEU  36          HD12      LEU  36   4.911  -4.700   1.834
  264   HD13  LEU  36          HD13      LEU  36   6.018  -4.262   0.533
  265   HD21  LEU  36          HD21      LEU  36   6.068  -6.834   2.146
  266   HD22  LEU  36          HD22      LEU  36   7.815  -6.869   2.409
  267   HD23  LEU  36          HD23      LEU  36   7.169  -6.419   0.834
  268    H    ASP  37           HN       ASP  37  10.463  -2.473   3.104
  269    HA   ASP  37           HA       ASP  37  12.163  -1.225   2.493
  270    HB2  ASP  37           HB2      ASP  37  13.864  -2.811   3.081
  271    HB3  ASP  37           HB1      ASP  37  13.503  -3.823   1.689
  272    H    VAL  38           HN       VAL  38  10.929  -0.155   1.254
  273    HA   VAL  38           HA       VAL  38  10.730  -0.880  -1.552
  274    HB   VAL  38           HB       VAL  38   9.308   1.296   0.063
  275   HG11  VAL  38          HG11      VAL  38   8.797   0.461  -2.799
  276   HG12  VAL  38          HG12      VAL  38   9.514   1.989  -2.284
  277   HG13  VAL  38          HG13      VAL  38   7.844   1.616  -1.863
  278   HG21  VAL  38          HG21      VAL  38   8.293  -1.322  -1.029
  279   HG22  VAL  38          HG22      VAL  38   7.321  -0.102  -0.205
  280   HG23  VAL  38          HG23      VAL  38   8.605  -0.945   0.666
  281    H    ASP  39           HN       ASP  39  10.721   2.418  -0.401
  282    HA   ASP  39           HA       ASP  39  13.262   3.341  -0.679
  283    HB2  ASP  39           HB2      ASP  39  12.768   2.555  -3.220
  284    HB3  ASP  39           HB1      ASP  39  11.663   3.943  -3.087
  285    H    SER  40           HN       SER  40  12.822   5.767  -1.384
  286    HA   SER  40           HA       SER  40  10.557   6.478   0.329
  287    HB2  SER  40           HB2      SER  40  12.815   7.363   0.910
  288    HB3  SER  40           HB1      SER  40  12.824   8.247  -0.620
  289    H    LEU  41           HN       LEU  41  11.874   6.917  -2.840
  290    HA   LEU  41           HA       LEU  41   9.838   8.847  -3.586
  291    HB2  LEU  41           HB2      LEU  41  11.970   7.497  -5.239
  292    HB3  LEU  41           HB1      LEU  41  10.876   8.725  -5.841
  293    HG   LEU  41           HG       LEU  41  12.971   9.112  -3.706
  294   HD11  LEU  41          HD11      LEU  41  12.815  10.086  -6.550
  295   HD12  LEU  41          HD12      LEU  41  13.906   8.847  -5.928
  296   HD13  LEU  41          HD13      LEU  41  14.062  10.515  -5.379
  297   HD21  LEU  41          HD21      LEU  41  12.388  11.486  -3.854
  298   HD22  LEU  41          HD22      LEU  41  11.014  10.525  -3.309
  299   HD23  LEU  41          HD23      LEU  41  11.084  11.101  -4.975
  300    H    SER  42           HN       SER  42  10.596   5.496  -3.989
  301    HA   SER  42           HA       SER  42   8.646   4.901  -5.939
  302    HB2  SER  42           HB2      SER  42   9.917   3.078  -3.901
  303    HB3  SER  42           HB1      SER  42   9.196   2.605  -5.439
  304    HG   SER  42           HG       SER  42  11.415   2.705  -5.596
  305    H    MET  43           HN       MET  43   8.642   5.361  -2.543
  306    HA   MET  43           HA       MET  43   6.423   3.854  -1.759
  307    HB2  MET  43           HB2      MET  43   7.966   4.840  -0.171
  308    HB3  MET  43           HB1      MET  43   7.457   6.448  -0.662
  309    HG2  MET  43           HG2      MET  43   6.452   5.578   1.453
  310    HG3  MET  43           HG1      MET  43   5.323   6.179   0.227
  311    HE1  MET  43           HE1      MET  43   7.254   2.934  -0.150
  312    HE2  MET  43           HE2      MET  43   6.209   1.695   0.542
  313    HE3  MET  43           HE3      MET  43   7.014   2.877   1.596
  314    H    VAL  44           HN       VAL  44   6.721   7.212  -2.811
  315    HA   VAL  44           HA       VAL  44   3.994   7.769  -2.505
  316    HB   VAL  44           HB       VAL  44   6.097   9.236  -4.116
  317   HG11  VAL  44          HG11      VAL  44   4.613  11.174  -3.941
  318   HG12  VAL  44          HG12      VAL  44   3.400  10.175  -3.141
  319   HG13  VAL  44          HG13      VAL  44   3.843   9.850  -4.818
  320   HG21  VAL  44          HG21      VAL  44   5.125   9.667  -1.284
  321   HG22  VAL  44          HG22      VAL  44   6.258  10.708  -2.140
  322   HG23  VAL  44          HG23      VAL  44   6.699   9.047  -1.759
  323    H    GLU  45           HN       GLU  45   5.840   6.242  -5.049
  324    HA   GLU  45           HA       GLU  45   3.932   6.748  -7.075
  325    HB2  GLU  45           HB2      GLU  45   6.054   4.599  -6.901
  326    HB3  GLU  45           HB1      GLU  45   5.204   5.107  -8.355
  327    HG2  GLU  45           HG2      GLU  45   6.199   7.341  -8.139
  328    HG3  GLU  45           HG1      GLU  45   7.084   6.790  -6.720
  329    H    VAL  46           HN       VAL  46   4.574   4.237  -4.707
  330    HA   VAL  46           HA       VAL  46   2.576   2.392  -5.460
  331    HB   VAL  46           HB       VAL  46   3.612   3.030  -2.660
  332   HG11  VAL  46          HG11      VAL  46   2.835   0.780  -2.048
  333   HG12  VAL  46          HG12      VAL  46   2.139   0.586  -3.657
  334   HG13  VAL  46          HG13      VAL  46   1.500   1.813  -2.561
  335   HG21  VAL  46          HG21      VAL  46   4.483   0.903  -4.620
  336   HG22  VAL  46          HG22      VAL  46   5.075   1.081  -2.971
  337   HG23  VAL  46          HG23      VAL  46   5.402   2.338  -4.166
  338    H    VAL  47           HN       VAL  47   2.539   5.133  -3.226
  339    HA   VAL  47           HA       VAL  47  -0.095   5.112  -2.344
  340    HB   VAL  47           HB       VAL  47   1.659   7.502  -3.022
  341   HG11  VAL  47          HG11      VAL  47   0.297   8.777  -1.439
  342   HG12  VAL  47          HG12      VAL  47  -0.761   7.383  -1.227
  343   HG13  VAL  47          HG13      VAL  47  -0.673   8.191  -2.792
  344   HG21  VAL  47          HG21      VAL  47   1.253   6.027  -0.434
  345   HG22  VAL  47          HG22      VAL  47   2.217   7.491  -0.645
  346   HG23  VAL  47          HG23      VAL  47   2.697   5.994  -1.448
  347    H    VAL  48           HN       VAL  48   1.065   7.270  -4.915
  348    HA   VAL  48           HA       VAL  48  -1.225   8.012  -6.196
  349    HB   VAL  48           HB       VAL  48   1.367   7.236  -7.584
  350   HG11  VAL  48          HG11      VAL  48  -0.451   7.408  -9.202
  351   HG12  VAL  48          HG12      VAL  48   0.665   8.763  -9.376
  352   HG13  VAL  48          HG13      VAL  48  -0.883   8.995  -8.566
  353   HG21  VAL  48          HG21      VAL  48   1.678   8.921  -5.849
  354   HG22  VAL  48          HG22      VAL  48   0.397   9.904  -6.560
  355   HG23  VAL  48          HG23      VAL  48   1.894   9.624  -7.451
  356    H    ALA  49           HN       ALA  49   0.563   5.008  -7.042
  357    HA   ALA  49           HA       ALA  49  -1.259   4.189  -9.036
  358    HB1  ALA  49           HB1      ALA  49   0.670   2.467  -7.487
  359    HB2  ALA  49           HB2      ALA  49   1.060   3.387  -8.941
  360    HB3  ALA  49           HB3      ALA  49  -0.094   2.058  -9.022
  361    H    ALA  50           HN       ALA  50  -1.166   3.572  -5.574
  362    HA   ALA  50           HA       ALA  50  -3.029   1.473  -5.533
  363    HB1  ALA  50           HB1      ALA  50  -1.597   2.013  -3.618
  364    HB2  ALA  50           HB2      ALA  50  -3.302   1.989  -3.159
  365    HB3  ALA  50           HB3      ALA  50  -2.469   3.527  -3.391
  366    H    GLU  51           HN       GLU  51  -3.364   4.942  -5.525
  367    HA   GLU  51           HA       GLU  51  -6.086   5.171  -4.920
  368    HB2  GLU  51           HB2      GLU  51  -4.471   6.914  -6.770
  369    HB3  GLU  51           HB1      GLU  51  -5.938   7.347  -5.907
  370    HG2  GLU  51           HG2      GLU  51  -4.739   7.045  -3.786
  371    HG3  GLU  51           HG1      GLU  51  -3.266   6.738  -4.694
  372    H    GLU  52           HN       GLU  52  -4.379   4.417  -7.785
  373    HA   GLU  52           HA       GLU  52  -6.605   4.681  -9.592
  374    HB2  GLU  52           HB2      GLU  52  -4.241   5.141 -10.201
  375    HB3  GLU  52           HB1      GLU  52  -3.878   3.440  -9.952
  376    HG2  GLU  52           HG2      GLU  52  -4.101   3.895 -12.283
  377    HG3  GLU  52           HG1      GLU  52  -5.434   2.875 -11.737
  378    H    ARG  53           HN       ARG  53  -4.701   2.091  -8.126
  379    HA   ARG  53           HA       ARG  53  -5.921  -0.070  -9.515
  380    HB2  ARG  53           HB2      ARG  53  -3.635  -0.167  -8.742
  381    HB3  ARG  53           HB1      ARG  53  -4.153   0.093  -7.103
  382    HG2  ARG  53           HG2      ARG  53  -3.526  -2.234  -7.469
  383    HG3  ARG  53           HG1      ARG  53  -5.220  -2.079  -7.017
  384    HD2  ARG  53           HD2      ARG  53  -5.848  -2.333  -9.389
  385    HD3  ARG  53           HD1      ARG  53  -4.122  -2.489  -9.779
  386    HE   ARG  53           HE       ARG  53  -4.078  -4.582  -8.915
  387   HH11  ARG  53          HH11      ARG  53  -7.314  -3.203  -8.262
  388   HH12  ARG  53          HH12      ARG  53  -7.982  -4.690  -7.766
  389   HH21  ARG  53          HH21      ARG  53  -4.987  -6.582  -8.181
  390   HH22  ARG  53          HH22      ARG  53  -6.614  -6.695  -7.709
  391    H    PHE  54           HN       PHE  54  -6.428   1.436  -6.407
  392    HA   PHE  54           HA       PHE  54  -8.348  -0.629  -5.670
  393    HB2  PHE  54           HB2      PHE  54  -7.056   1.594  -4.120
  394    HB3  PHE  54           HB1      PHE  54  -8.293   0.535  -3.468
  395    HD1  PHE  54           HD2      PHE  54  -4.850   0.707  -4.734
  396    HD2  PHE  54           HD1      PHE  54  -7.742  -1.660  -2.737
  397    HE1  PHE  54           HE2      PHE  54  -3.094  -0.860  -4.057
  398    HE2  PHE  54           HE1      PHE  54  -5.962  -3.217  -2.043
  399    HZ   PHE  54           HZ       PHE  54  -3.663  -2.818  -2.726
  400    H    ASP  55           HN       ASP  55  -8.334   2.214  -7.284
  401    HA   ASP  55           HA       ASP  55  -9.906   3.634  -8.028
  402    HB2  ASP  55           HB2      ASP  55 -11.332   1.660  -8.303
  403    HB3  ASP  55           HB1      ASP  55 -11.849   1.765  -6.629
  404    H    VAL  56           HN       VAL  56  -9.153   3.403  -4.868
  405    HA   VAL  56           HA       VAL  56 -10.853   5.642  -4.073
  406    HB   VAL  56           HB       VAL  56 -11.093   3.684  -2.640
  407   HG11  VAL  56          HG11      VAL  56  -8.959   2.622  -2.879
  408   HG12  VAL  56          HG12      VAL  56  -9.328   2.883  -1.177
  409   HG13  VAL  56          HG13      VAL  56  -8.174   3.937  -1.999
  410   HG21  VAL  56          HG21      VAL  56 -11.456   5.793  -1.635
  411   HG22  VAL  56          HG22      VAL  56  -9.734   5.996  -1.278
  412   HG23  VAL  56          HG23      VAL  56 -10.675   4.738  -0.462
  413    H    LYS  57           HN       LYS  57 -10.010   7.510  -3.807
  414    HA   LYS  57           HA       LYS  57  -7.236   8.027  -4.310
  415    HB2  LYS  57           HB2      LYS  57  -9.456   9.848  -3.354
  416    HB3  LYS  57           HB1      LYS  57  -7.828  10.405  -3.711
  417    HG2  LYS  57           HG2      LYS  57  -9.621   9.042  -5.706
  418    HG3  LYS  57           HG1      LYS  57  -9.488  10.788  -5.525
  419    HD2  LYS  57           HD2      LYS  57  -7.079   9.057  -6.072
  420    HD3  LYS  57           HD1      LYS  57  -8.101   9.648  -7.374
  421    HE2  LYS  57           HE2      LYS  57  -6.185  11.132  -7.135
  422    HE3  LYS  57           HE1      LYS  57  -7.637  11.982  -6.624
  423    HZ1  LYS  57           HZ1      LYS  57  -5.713  12.370  -5.215
  424    HZ2  LYS  57           HZ2      LYS  57  -5.651  10.744  -4.784
  425    HZ3  LYS  57           HZ3      LYS  57  -6.963  11.710  -4.332
  426    H    ILE  58           HN       ILE  58  -5.622   8.043  -2.931
  427    HA   ILE  58           HA       ILE  58  -6.124   8.337  -0.062
  428    HB   ILE  58           HB       ILE  58  -4.161   6.345  -1.247
  429   HG12  ILE  58          HG12      ILE  58  -6.839   5.749   0.046
  430   HG13  ILE  58          HG11      ILE  58  -6.501   5.620  -1.673
  431   HG21  ILE  58          HG21      ILE  58  -5.105   6.822   1.591
  432   HG22  ILE  58          HG22      ILE  58  -3.509   7.200   0.939
  433   HG23  ILE  58          HG23      ILE  58  -4.025   5.526   1.086
  434   HD11  ILE  58          HD11      ILE  58  -5.197   4.007   0.502
  435   HD12  ILE  58          HD12      ILE  58  -4.868   3.865  -1.227
  436   HD13  ILE  58          HD13      ILE  58  -6.462   3.451  -0.591
  437    HA   PRO  59           HA       PRO  59  -2.832  11.035  -1.456
  438    HB2  PRO  59           HB2      PRO  59  -3.184  13.005   0.322
  439    HB3  PRO  59           HB1      PRO  59  -4.291  12.761  -1.045
  440    HG2  PRO  59           HG2      PRO  59  -4.639  12.028   1.829
  441    HG3  PRO  59           HG1      PRO  59  -5.826  12.676   0.683
  442    HD2  PRO  59           HD2      PRO  59  -5.549   9.996   1.364
  443    HD3  PRO  59           HD1      PRO  59  -6.352  10.604  -0.097
  444    H    ASP  60           HN       ASP  60  -0.794  11.509  -0.714
  445    HA   ASP  60           HA       ASP  60   0.791  10.118   0.898
  446    HB2  ASP  60           HB2      ASP  60   0.825  13.147   0.805
  447    HB3  ASP  60           HB1      ASP  60   2.136  12.155   1.402
  448    H    ASP  61           HN       ASP  61  -1.136  12.837   2.091
  449    HA   ASP  61           HA       ASP  61  -0.370  12.979   4.740
  450    HB2  ASP  61           HB2      ASP  61  -1.862  14.620   3.782
  451    HB3  ASP  61           HB1      ASP  61  -3.135  13.420   3.618
  452    H    ASP  62           HN       ASP  62  -3.077  10.986   3.546
  453    HA   ASP  62           HA       ASP  62  -3.491   9.823   6.174
  454    HB2  ASP  62           HB2      ASP  62  -4.623   9.088   3.483
  455    HB3  ASP  62           HB1      ASP  62  -5.036   8.241   4.963
  456    H    VAL  63           HN       VAL  63  -1.898   8.962   3.285
  457    HA   VAL  63           HA       VAL  63  -1.324   6.306   3.806
  458    HB   VAL  63           HB       VAL  63  -0.179   8.455   2.113
  459   HG11  VAL  63          HG11      VAL  63   1.311   5.860   2.583
  460   HG12  VAL  63          HG12      VAL  63   1.882   7.460   3.048
  461   HG13  VAL  63          HG13      VAL  63   1.686   7.057   1.342
  462   HG21  VAL  63          HG21      VAL  63  -0.506   6.773   0.388
  463   HG22  VAL  63          HG22      VAL  63  -1.961   7.054   1.351
  464   HG23  VAL  63          HG23      VAL  63  -0.982   5.614   1.626
  465    H    LYS  64           HN       LYS  64   0.092   9.180   5.107
  466    HA   LYS  64           HA       LYS  64   2.363   8.018   6.264
  467    HB2  LYS  64           HB2      LYS  64   0.892  10.505   7.078
  468    HB3  LYS  64           HB1      LYS  64   2.509  10.065   7.612
  469    HG2  LYS  64           HG2      LYS  64   3.317  10.191   5.330
  470    HG3  LYS  64           HG1      LYS  64   1.664  10.536   4.788
  471    HD2  LYS  64           HD2      LYS  64   1.661  12.586   6.102
  472    HD3  LYS  64           HD1      LYS  64   3.306  12.245   6.641
  473    HE2  LYS  64           HE2      LYS  64   4.079  12.340   4.322
  474    HE3  LYS  64           HE1      LYS  64   2.434  12.692   3.797
  475    HZ1  LYS  64           HZ1      LYS  64   3.966  14.381   5.683
  476    HZ2  LYS  64           HZ2      LYS  64   2.494  14.785   4.913
  477    HZ3  LYS  64           HZ3      LYS  64   3.913  14.630   4.021
  478    H    ASN  65           HN       ASN  65  -0.916   7.931   7.196
  479    HA   ASN  65           HA       ASN  65  -0.285   7.343   9.996
  480    HB2  ASN  65           HB2      ASN  65  -2.999   7.419   8.650
  481    HB3  ASN  65           HB1      ASN  65  -2.683   7.358  10.376
  482   HD21  ASN  65          HD21      ASN  65  -4.229   9.238   8.913
  483   HD22  ASN  65          HD22      ASN  65  -3.524  10.795   9.126
  484    H    LEU  66           HN       LEU  66  -0.412   5.814   7.115
  485    HA   LEU  66           HA       LEU  66  -1.679   3.387   8.084
  486    HB2  LEU  66           HB2      LEU  66  -0.469   3.912   5.366
  487    HB3  LEU  66           HB1      LEU  66  -1.508   2.588   5.867
  488    HG   LEU  66           HG       LEU  66  -2.337   5.488   5.659
  489   HD11  LEU  66          HD11      LEU  66  -3.662   4.781   3.737
  490   HD12  LEU  66          HD12      LEU  66  -2.945   3.171   3.841
  491   HD13  LEU  66          HD13      LEU  66  -1.931   4.567   3.474
  492   HD21  LEU  66          HD21      LEU  66  -3.618   4.298   7.365
  493   HD22  LEU  66          HD22      LEU  66  -3.988   3.023   6.194
  494   HD23  LEU  66          HD23      LEU  66  -4.619   4.640   5.950
  495    H    LYS  67           HN       LYS  67   1.276   4.139   6.282
  496    HA   LYS  67           HA       LYS  67   3.170   3.179   6.053
  497    HB2  LYS  67           HB2      LYS  67   4.647   2.989   8.127
  498    HB3  LYS  67           HB1      LYS  67   3.958   4.547   7.731
  499    HG2  LYS  67           HG2      LYS  67   3.830   4.329  10.067
  500    HG3  LYS  67           HG1      LYS  67   2.197   4.058   9.474
  501    HD2  LYS  67           HD2      LYS  67   2.579   1.624   9.648
  502    HD3  LYS  67           HD1      LYS  67   4.176   1.950  10.331
  503    HE2  LYS  67           HE2      LYS  67   3.047   3.287  12.117
  504    HE3  LYS  67           HE1      LYS  67   1.517   2.730  11.434
  505    HZ1  LYS  67           HZ1      LYS  67   2.395   1.478  13.382
  506    HZ2  LYS  67           HZ2      LYS  67   3.584   0.816  12.391
  507    HZ3  LYS  67           HZ3      LYS  67   1.932   0.541  12.086
  508    H    THR  68           HN       THR  68   0.987   1.007   7.048
  509    HA   THR  68           HA       THR  68   2.928  -1.069   6.323
  510    HB   THR  68           HB       THR  68   1.620  -2.738   7.512
  511    HG1  THR  68           HG1      THR  68   0.138  -1.002   9.078
  512   HG21  THR  68          HG21      THR  68   2.427  -0.478   9.319
  513   HG22  THR  68          HG22      THR  68   3.454  -1.779   8.673
  514   HG23  THR  68          HG23      THR  68   2.149  -2.166   9.799
  515    H    VAL  69           HN       VAL  69   1.862  -2.925   5.417
  516    HA   VAL  69           HA       VAL  69   0.098  -2.390   3.314
  517    HB   VAL  69           HB       VAL  69  -0.152  -4.989   3.454
  518   HG11  VAL  69          HG11      VAL  69   1.315  -3.787   1.828
  519   HG12  VAL  69          HG12      VAL  69   2.086  -5.262   2.412
  520   HG13  VAL  69          HG13      VAL  69   2.571  -3.695   3.062
  521   HG21  VAL  69          HG21      VAL  69   2.144  -4.510   5.307
  522   HG22  VAL  69          HG22      VAL  69   1.637  -6.068   4.655
  523   HG23  VAL  69          HG23      VAL  69   0.568  -5.173   5.733
  524    H    GLY  70           HN       GLY  70  -0.398  -3.922   6.498
  525    HA2  GLY  70           HA2      GLY  70  -3.106  -4.537   6.195
  526    HA3  GLY  70           HA1      GLY  70  -2.255  -4.360   7.723
  527    H    ASP  71           HN       ASP  71  -1.515  -1.698   7.580
  528    HA   ASP  71           HA       ASP  71  -3.951  -0.457   8.294
  529    HB2  ASP  71           HB2      ASP  71  -1.177   0.626   7.954
  530    HB3  ASP  71           HB1      ASP  71  -2.536   1.676   8.305
  531    H    ALA  72           HN       ALA  72  -1.910  -0.254   5.402
  532    HA   ALA  72           HA       ALA  72  -3.324   1.748   4.076
  533    HB1  ALA  72           HB1      ALA  72  -1.217   0.810   3.206
  534    HB2  ALA  72           HB2      ALA  72  -2.492   0.734   1.990
  535    HB3  ALA  72           HB3      ALA  72  -2.036  -0.718   2.880
  536    H    THR  73           HN       THR  73  -3.722  -1.774   3.781
  537    HA   THR  73           HA       THR  73  -6.037  -2.066   2.515
  538    HB   THR  73           HB       THR  73  -5.032  -3.497   4.958
  539    HG1  THR  73           HG1      THR  73  -3.495  -3.728   3.477
  540   HG21  THR  73          HG21      THR  73  -6.934  -4.374   2.796
  541   HG22  THR  73          HG22      THR  73  -7.369  -4.022   4.460
  542   HG23  THR  73          HG23      THR  73  -6.322  -5.405   4.097
  543    H    LYS  74           HN       LYS  74  -5.735  -1.469   6.053
  544    HA   LYS  74           HA       LYS  74  -8.485  -1.593   6.592
  545    HB2  LYS  74           HB2      LYS  74  -6.749  -1.784   8.335
  546    HB3  LYS  74           HB1      LYS  74  -6.350  -0.089   8.123
  547    HG2  LYS  74           HG2      LYS  74  -7.726  -0.448  10.106
  548    HG3  LYS  74           HG1      LYS  74  -8.565   0.550   8.916
  549    HD2  LYS  74           HD2      LYS  74 -10.106  -1.075   9.850
  550    HD3  LYS  74           HD1      LYS  74  -9.800  -1.447   8.152
  551    HE2  LYS  74           HE2      LYS  74  -8.173  -3.163   8.850
  552    HE3  LYS  74           HE1      LYS  74  -8.535  -2.802  10.536
  553    HZ1  LYS  74           HZ1      LYS  74 -10.860  -3.447  10.086
  554    HZ2  LYS  74           HZ2      LYS  74  -9.776  -4.720   9.813
  555    HZ3  LYS  74           HZ3      LYS  74 -10.421  -3.892   8.516
  556    H    TYR  75           HN       TYR  75  -6.531   1.026   5.395
  557    HA   TYR  75           HA       TYR  75  -8.556   3.045   5.799
  558    HB2  TYR  75           HB2      TYR  75  -6.143   3.657   5.588
  559    HB3  TYR  75           HB1      TYR  75  -6.161   3.065   3.933
  560    HD1  TYR  75           HD2      TYR  75  -7.328   4.324   2.181
  561    HD2  TYR  75           HD1      TYR  75  -7.135   5.863   6.158
  562    HE1  TYR  75           HE2      TYR  75  -8.016   6.535   1.368
  563    HE2  TYR  75           HE1      TYR  75  -7.832   8.056   5.343
  564    HH   TYR  75           HH       TYR  75  -9.134   8.573   2.276
  565    H    ILE  76           HN       ILE  76  -7.314   1.048   3.214
  566    HA   ILE  76           HA       ILE  76  -8.926   2.055   1.226
  567    HB   ILE  76           HB       ILE  76  -7.655  -0.688   1.443
  568   HG12  ILE  76          HG12      ILE  76  -6.779   1.810  -0.022
  569   HG13  ILE  76          HG11      ILE  76  -6.165   1.307   1.544
  570   HG21  ILE  76          HG21      ILE  76  -7.923  -0.797  -1.004
  571   HG22  ILE  76          HG22      ILE  76  -8.778   0.743  -0.985
  572   HG23  ILE  76          HG23      ILE  76  -9.494  -0.673  -0.212
  573   HD11  ILE  76          HD11      ILE  76  -5.257  -0.710   0.524
  574   HD12  ILE  76          HD12      ILE  76  -4.622   0.753  -0.228
  575   HD13  ILE  76          HD13      ILE  76  -5.871  -0.190  -1.043
  576    H    LEU  77           HN       LEU  77  -9.365  -0.795   3.293
  577    HA   LEU  77           HA       LEU  77 -11.840  -1.715   2.308
  578    HB2  LEU  77           HB2      LEU  77 -10.389  -2.938   3.885
  579    HB3  LEU  77           HB1      LEU  77 -10.811  -1.803   5.142
  580    HG   LEU  77           HG       LEU  77 -11.879  -4.099   5.144
  581   HD11  LEU  77          HD11      LEU  77 -14.058  -3.296   5.981
  582   HD12  LEU  77          HD12      LEU  77 -13.707  -1.703   5.303
  583   HD13  LEU  77          HD13      LEU  77 -12.710  -2.343   6.607
  584   HD21  LEU  77          HD21      LEU  77 -12.498  -4.277   2.829
  585   HD22  LEU  77          HD22      LEU  77 -13.557  -2.875   2.972
  586   HD23  LEU  77          HD23      LEU  77 -13.950  -4.366   3.830
  587    H    ASP  78           HN       ASP  78 -11.126   0.757   4.626
  588    HA   ASP  78           HA       ASP  78 -13.894   1.121   5.378
  589    HB2  ASP  78           HB2      ASP  78 -12.266   1.417   7.098
  590    HB3  ASP  78           HB1      ASP  78 -11.375   2.584   6.135
  591    H    HIS  79           HN       HIS  79 -11.560   2.826   3.383
  592    HA   HIS  79           HA       HIS  79 -13.469   4.996   3.008
  593    HB2  HIS  79           HB2      HIS  79 -10.669   4.859   3.287
  594    HB3  HIS  79           HB1      HIS  79 -11.022   5.541   1.708
  595    HD1  HIS  79           HD1      HIS  79 -11.202   8.013   1.782
  596    HD2  HIS  79           HD2      HIS  79 -12.304   6.261   5.379
  597    HE1  HIS  79           HE1      HIS  79 -11.695   9.901   3.318
  598    HE2  HIS  79           HE2      HIS  79 -11.776   8.752   5.535
  599    H    GLN  80           HN       GLN  80 -12.793   2.158   1.247
  600    HA   GLN  80           HA       GLN  80 -12.535   3.520  -1.277
  601    HB2  GLN  80           HB2      GLN  80 -12.437   1.363  -2.304
  602    HB3  GLN  80           HB1      GLN  80 -11.423   1.350  -0.870
  603    HG2  GLN  80           HG2      GLN  80 -13.222   0.206   0.360
  604    HG3  GLN  80           HG1      GLN  80 -14.176   0.162  -1.125
  605   HE21  GLN  80          HE21      GLN  80 -11.483  -1.063   0.545
  606   HE22  GLN  80          HE22      GLN  80 -11.134  -2.389  -0.519
  607    H    ALA  81           HN       ALA  81 -13.956   2.315  -3.038
  608    HA   ALA  81           HA       ALA  81 -16.627   3.054  -2.331
  609    HB1  ALA  81           HB1      ALA  81 -15.347   2.590  -5.021
  610    HB2  ALA  81           HB2      ALA  81 -15.723   4.150  -4.288
  611    HB3  ALA  81           HB3      ALA  81 -17.025   3.069  -4.775
  612    H2   SHW 101           H2A      SHW 101   3.019   5.657   4.135
  613    H2A  SHW 101           H2B      SHW 101   3.821   5.318   2.594
  614    H3   SHW 101           H3A      SHW 101   3.560   3.461   5.002
  615    HO3  SHW 101           HO3      SHW 101   4.686   3.139   2.438
  616    H4   SHW 101           H4A      SHW 101   1.394   3.875   3.917
  617    H4A  SHW 101           H4B      SHW 101   1.927   2.218   3.700
  618    H5   SHW 101           H5A      SHW 101   2.619   2.707   1.424
  619    H5A  SHW 101           H5B      SHW 101   2.121   4.390   1.625
  620    H6   SHW 101           H6A      SHW 101  -0.176   3.664   2.032
  621    H6A  SHW 101           H6B      SHW 101   0.314   1.982   1.834
  622    H7   SHW 101           H7A      SHW 101   0.952   2.423  -0.483
  623    H7A  SHW 101           H7B      SHW 101   0.500   4.128  -0.285
  624    H8   SHW 101           H8C      SHW 101  -1.333   1.744   0.010
  625    H8A  SHW 101           H8A      SHW 101  -1.276   2.835  -1.375
  626    H8B  SHW 101           H8B      SHW 101  -1.798   3.434   0.201
  627    H28  SHW 101          H28A      SHW 101  10.480  12.051  -0.379
  628   H28A  SHW 101          H28B      SHW 101   9.647  10.564   0.071
  629    H30  SHW 101          H30A      SHW 101   9.781  14.173   0.458
  630   H30A  SHW 101          H30B      SHW 101  10.179  13.614   2.082
  631   H30B  SHW 101          H30C      SHW 101   8.593  14.312   1.754
  632    H31  SHW 101          H31A      SHW 101   7.420  11.479  -0.344
  633   H31A  SHW 101          H31B      SHW 101   8.172  12.964  -0.928
  634   H31B  SHW 101          H31C      SHW 101   6.942  13.035   0.334
  635    H32  SHW 101          H32A      SHW 101   8.980  11.609   3.093
  636   HO33  SHW 101          H33A      SHW 101   6.381  11.817   2.452
  637   HN36  SHW 101          H36A      SHW 101   9.554   9.624   1.931
  638    H37  SHW 101          H37A      SHW 101   7.272   7.718   1.848
  639   H37A  SHW 101          H37B      SHW 101   8.541   7.679   0.638
  640    H38  SHW 101          H38A      SHW 101   8.925   5.942   2.219
  641   H38A  SHW 101          H38B      SHW 101  10.209   7.149   2.420
  642   HN41  SHW 101          H41A      SHW 101   7.210   8.099   3.584
  643    H42  SHW 101          H42A      SHW 101   7.536   7.165   6.349
  644   H42A  SHW 101          H42B      SHW 101   7.481   8.857   5.935
  645    H43  SHW 101          H43A      SHW 101   5.284   8.458   4.736
  646   H43A  SHW 101          H43B      SHW 101   5.372   8.573   6.480
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1 -16.570  -2.266  -0.625
    2    H2   ALA   1           HT2      ALA   1 -17.523  -1.851   0.687
    3    H3   ALA   1           HT3      ALA   1 -17.743  -3.337  -0.108
    4    HA   ALA   1           HA       ALA   1 -15.356  -2.529   1.456
    5    HB1  ALA   1           HB1      ALA   1 -15.974  -4.414   2.903
    6    HB2  ALA   1           HB2      ALA   1 -17.414  -4.692   1.925
    7    HB3  ALA   1           HB3      ALA   1 -17.255  -3.202   2.856
    8    H    ALA   2           HN       ALA   2 -13.483  -3.487   0.692
    9    HA   ALA   2           HA       ALA   2 -13.867  -5.532  -1.347
   10    HB1  ALA   2           HB1      ALA   2 -12.399  -3.636  -1.869
   11    HB2  ALA   2           HB2      ALA   2 -11.501  -5.154  -1.853
   12    HB3  ALA   2           HB3      ALA   2 -11.382  -4.044  -0.486
   13    H    THR   3           HN       THR   3 -12.311  -7.446  -1.265
   14    HA   THR   3           HA       THR   3 -12.273  -8.581   1.320
   15    HB   THR   3           HB       THR   3 -10.724 -10.130  -0.294
   16    HG1  THR   3           HG1      THR   3 -11.395  -9.885  -2.422
   17   HG21  THR   3          HG21      THR   3 -12.783 -11.374  -0.833
   18   HG22  THR   3          HG22      THR   3 -13.748  -9.975  -0.353
   19   HG23  THR   3          HG23      THR   3 -12.783 -10.838   0.849
   20    H    GLN   4           HN       GLN   4 -10.707  -8.126   2.736
   21    HA   GLN   4           HA       GLN   4  -8.725  -6.223   2.442
   22    HB2  GLN   4           HB2      GLN   4  -8.679  -8.586   4.296
   23    HB3  GLN   4           HB1      GLN   4  -7.696  -7.141   4.459
   24    HG2  GLN   4           HG2      GLN   4  -9.687  -5.805   4.773
   25    HG3  GLN   4           HG1      GLN   4 -10.697  -7.219   4.550
   26   HE21  GLN   4          HE21      GLN   4  -8.468  -5.623   6.682
   27   HE22  GLN   4          HE22      GLN   4  -8.765  -6.604   8.066
   28    H    GLU   5           HN       GLU   5  -8.533  -9.625   1.987
   29    HA   GLU   5           HA       GLU   5  -5.745  -9.956   1.601
   30    HB2  GLU   5           HB2      GLU   5  -7.893 -11.614   0.267
   31    HB3  GLU   5           HB1      GLU   5  -6.258 -12.105   0.661
   32    HG2  GLU   5           HG2      GLU   5  -7.537 -13.194   2.260
   33    HG3  GLU   5           HG1      GLU   5  -6.984 -11.758   3.118
   34    H    GLU   6           HN       GLU   6  -8.337  -9.079  -0.578
   35    HA   GLU   6           HA       GLU   6  -6.784  -9.200  -2.956
   36    HB2  GLU   6           HB2      GLU   6  -9.236  -9.390  -2.946
   37    HB3  GLU   6           HB1      GLU   6  -9.354  -7.742  -2.358
   38    HG2  GLU   6           HG2      GLU   6  -8.398  -6.905  -4.398
   39    HG3  GLU   6           HG1      GLU   6  -8.142  -8.547  -4.983
   40    H    ILE   7           HN       ILE   7  -7.553  -6.852  -0.532
   41    HA   ILE   7           HA       ILE   7  -6.582  -4.563  -1.882
   42    HB   ILE   7           HB       ILE   7  -6.665  -5.088   1.082
   43   HG12  ILE   7          HG12      ILE   7  -8.899  -4.210  -0.778
   44   HG13  ILE   7          HG11      ILE   7  -8.812  -5.609   0.238
   45   HG21  ILE   7          HG21      ILE   7  -6.809  -2.527  -0.534
   46   HG22  ILE   7          HG22      ILE   7  -5.431  -3.072   0.422
   47   HG23  ILE   7          HG23      ILE   7  -6.938  -2.622   1.224
   48   HD11  ILE   7          HD11      ILE   7  -8.959  -4.285   2.242
   49   HD12  ILE   7          HD12      ILE   7 -10.314  -3.939   1.170
   50   HD13  ILE   7          HD13      ILE   7  -8.970  -2.801   1.288
   51    H    VAL   8           HN       VAL   8  -5.237  -6.637   0.644
   52    HA   VAL   8           HA       VAL   8  -2.639  -5.691   0.672
   53    HB   VAL   8           HB       VAL   8  -3.718  -8.478   1.209
   54   HG11  VAL   8          HG11      VAL   8  -1.015  -7.332   1.926
   55   HG12  VAL   8          HG12      VAL   8  -1.314  -8.605   0.743
   56   HG13  VAL   8          HG13      VAL   8  -1.647  -8.891   2.453
   57   HG21  VAL   8          HG21      VAL   8  -2.983  -6.208   3.058
   58   HG22  VAL   8          HG22      VAL   8  -3.609  -7.775   3.570
   59   HG23  VAL   8          HG23      VAL   8  -4.611  -6.672   2.625
   60    H    ALA   9           HN       ALA   9  -4.054  -8.256  -1.355
   61    HA   ALA   9           HA       ALA   9  -1.719  -8.898  -2.778
   62    HB1  ALA   9           HB1      ALA   9  -4.577  -9.107  -3.728
   63    HB2  ALA   9           HB2      ALA   9  -3.706 -10.336  -2.808
   64    HB3  ALA   9           HB3      ALA   9  -3.192  -9.928  -4.447
   65    H    GLY  10           HN       GLY  10  -4.157  -6.443  -3.263
   66    HA2  GLY  10           HA2      GLY  10  -3.334  -5.507  -5.796
   67    HA3  GLY  10           HA1      GLY  10  -4.248  -4.596  -4.591
   68    H    LEU  11           HN       LEU  11  -2.585  -4.548  -2.514
   69    HA   LEU  11           HA       LEU  11  -0.739  -2.514  -3.075
   70    HB2  LEU  11           HB2      LEU  11  -0.848  -4.460  -0.774
   71    HB3  LEU  11           HB1      LEU  11   0.180  -3.046  -0.825
   72    HG   LEU  11           HG       LEU  11  -2.834  -2.949  -0.907
   73   HD11  LEU  11          HD11      LEU  11  -2.670  -2.210   1.418
   74   HD12  LEU  11          HD12      LEU  11  -0.932  -2.502   1.389
   75   HD13  LEU  11          HD13      LEU  11  -2.054  -3.849   1.215
   76   HD21  LEU  11          HD21      LEU  11  -0.748  -0.809  -0.492
   77   HD22  LEU  11          HD22      LEU  11  -2.496  -0.581  -0.418
   78   HD23  LEU  11          HD23      LEU  11  -1.731  -1.036  -1.941
   79    H    ALA  12           HN       ALA  12  -0.339  -5.961  -2.566
   80    HA   ALA  12           HA       ALA  12   2.388  -6.207  -2.808
   81    HB1  ALA  12           HB1      ALA  12   0.897  -8.001  -2.088
   82    HB2  ALA  12           HB2      ALA  12   1.978  -8.529  -3.373
   83    HB3  ALA  12           HB3      ALA  12   0.292  -8.155  -3.737
   84    H    GLU  13           HN       GLU  13  -0.051  -6.274  -5.408
   85    HA   GLU  13           HA       GLU  13   1.955  -6.694  -7.369
   86    HB2  GLU  13           HB2      GLU  13   0.241  -6.263  -9.072
   87    HB3  GLU  13           HB1      GLU  13  -0.271  -7.447  -7.884
   88    HG2  GLU  13           HG2      GLU  13  -1.612  -5.742  -6.785
   89    HG3  GLU  13           HG1      GLU  13  -1.087  -4.563  -7.985
   90    H    ILE  14           HN       ILE  14   0.590  -3.837  -6.087
   91    HA   ILE  14           HA       ILE  14   1.724  -1.976  -7.922
   92    HB   ILE  14           HB       ILE  14   1.048  -1.718  -4.975
   93   HG12  ILE  14          HG12      ILE  14  -0.511  -0.745  -7.352
   94   HG13  ILE  14          HG11      ILE  14  -0.758  -2.329  -6.623
   95   HG21  ILE  14          HG21      ILE  14   1.578   0.436  -7.022
   96   HG22  ILE  14          HG22      ILE  14   2.624   0.014  -5.667
   97   HG23  ILE  14          HG23      ILE  14   1.024   0.701  -5.368
   98   HD11  ILE  14          HD11      ILE  14  -1.301  -1.309  -4.541
   99   HD12  ILE  14          HD12      ILE  14  -2.364  -0.723  -5.826
  100   HD13  ILE  14          HD13      ILE  14  -1.048   0.310  -5.214
  101    H    VAL  15           HN       VAL  15   2.703  -3.107  -4.740
  102    HA   VAL  15           HA       VAL  15   5.186  -1.868  -4.596
  103    HB   VAL  15           HB       VAL  15   4.117  -4.338  -3.212
  104   HG11  VAL  15          HG11      VAL  15   6.576  -4.412  -3.177
  105   HG12  VAL  15          HG12      VAL  15   5.921  -4.069  -1.575
  106   HG13  VAL  15          HG13      VAL  15   6.611  -2.766  -2.544
  107   HG21  VAL  15          HG21      VAL  15   4.463  -1.491  -2.326
  108   HG22  VAL  15          HG22      VAL  15   3.871  -2.815  -1.325
  109   HG23  VAL  15          HG23      VAL  15   2.946  -2.291  -2.733
  110    H    ASN  16           HN       ASN  16   4.328  -5.081  -5.827
  111    HA   ASN  16           HA       ASN  16   6.968  -5.915  -6.280
  112    HB2  ASN  16           HB2      ASN  16   5.015  -7.424  -6.281
  113    HB3  ASN  16           HB1      ASN  16   4.510  -6.735  -7.819
  114   HD21  ASN  16          HD21      ASN  16   7.011  -8.490  -6.215
  115   HD22  ASN  16          HD22      ASN  16   7.664  -9.272  -7.606
  116    H    GLU  17           HN       GLU  17   4.820  -3.982  -8.152
  117    HA   GLU  17           HA       GLU  17   6.397  -4.056 -10.534
  118    HB2  GLU  17           HB2      GLU  17   3.929  -3.669 -10.441
  119    HB3  GLU  17           HB1      GLU  17   4.253  -2.094  -9.735
  120    HG2  GLU  17           HG2      GLU  17   5.521  -1.507 -11.781
  121    HG3  GLU  17           HG1      GLU  17   5.020  -3.046 -12.478
  122    H    ILE  18           HN       ILE  18   5.823  -1.626  -7.997
  123    HA   ILE  18           HA       ILE  18   7.745   0.204  -9.205
  124    HB   ILE  18           HB       ILE  18   6.051   0.508  -6.707
  125   HG12  ILE  18          HG12      ILE  18   5.606   1.794  -9.354
  126   HG13  ILE  18          HG11      ILE  18   4.876   0.203  -9.019
  127   HG21  ILE  18          HG21      ILE  18   6.516   2.885  -6.984
  128   HG22  ILE  18          HG22      ILE  18   7.512   2.545  -8.400
  129   HG23  ILE  18          HG23      ILE  18   8.024   1.990  -6.805
  130   HD11  ILE  18          HD11      ILE  18   4.439   2.839  -7.625
  131   HD12  ILE  18          HD12      ILE  18   3.708   1.311  -7.129
  132   HD13  ILE  18          HD13      ILE  18   3.313   2.011  -8.700
  133    H    ALA  19           HN       ALA  19   7.370  -1.316  -5.979
  134    HA   ALA  19           HA       ALA  19   9.901  -0.412  -4.943
  135    HB1  ALA  19           HB1      ALA  19   8.018  -0.894  -3.503
  136    HB2  ALA  19           HB2      ALA  19   9.397  -1.918  -3.101
  137    HB3  ALA  19           HB3      ALA  19   8.039  -2.582  -4.011
  138    H    GLY  20           HN       GLY  20   8.573  -3.325  -6.371
  139    HA2  GLY  20           HA2      GLY  20   9.666  -5.008  -7.563
  140    HA3  GLY  20           HA1      GLY  20  11.216  -4.434  -6.971
  141    H    ILE  21           HN       ILE  21   8.526  -4.943  -4.859
  142    HA   ILE  21           HA       ILE  21  10.107  -6.997  -3.506
  143    HB   ILE  21           HB       ILE  21   7.810  -5.321  -2.457
  144   HG12  ILE  21          HG12      ILE  21   9.788  -3.976  -2.780
  145   HG13  ILE  21          HG11      ILE  21   9.551  -4.239  -1.057
  146   HG21  ILE  21          HG21      ILE  21   9.553  -7.282  -0.963
  147   HG22  ILE  21          HG22      ILE  21   7.840  -7.477  -1.335
  148   HG23  ILE  21          HG23      ILE  21   8.363  -6.205  -0.232
  149   HD11  ILE  21          HD11      ILE  21  11.276  -5.958  -1.087
  150   HD12  ILE  21          HD12      ILE  21  11.892  -4.413  -1.674
  151   HD13  ILE  21          HD13      ILE  21  11.506  -5.702  -2.816
  152    HA   PRO  22           HA       PRO  22   7.639 -10.580  -4.730
  153    HB2  PRO  22           HB2      PRO  22   7.735 -11.233  -1.929
  154    HB3  PRO  22           HB1      PRO  22   8.536 -12.031  -3.283
  155    HG2  PRO  22           HG2      PRO  22   9.604 -10.032  -1.411
  156    HG3  PRO  22           HG1      PRO  22  10.470 -11.155  -2.475
  157    HD2  PRO  22           HD2      PRO  22  10.462  -8.523  -2.978
  158    HD3  PRO  22           HD1      PRO  22  10.336  -9.735  -4.289
  159    H    VAL  23           HN       VAL  23   5.712 -10.651  -5.093
  160    HA   VAL  23           HA       VAL  23   3.647  -9.147  -3.945
  161    HB   VAL  23           HB       VAL  23   3.484 -11.783  -5.460
  162   HG11  VAL  23          HG11      VAL  23   1.197 -11.148  -6.054
  163   HG12  VAL  23          HG12      VAL  23   1.321  -9.729  -5.014
  164   HG13  VAL  23          HG13      VAL  23   1.382 -11.345  -4.309
  165   HG21  VAL  23          HG21      VAL  23   4.632 -10.069  -6.721
  166   HG22  VAL  23          HG22      VAL  23   3.299  -8.948  -6.446
  167   HG23  VAL  23          HG23      VAL  23   3.049 -10.395  -7.425
  168    H    GLU  24           HN       GLU  24   5.061 -12.181  -3.079
  169    HA   GLU  24           HA       GLU  24   2.945 -12.511  -1.224
  170    HB2  GLU  24           HB2      GLU  24   4.837 -14.632  -2.216
  171    HB3  GLU  24           HB1      GLU  24   3.557 -14.917  -1.038
  172    HG2  GLU  24           HG2      GLU  24   1.902 -14.141  -2.677
  173    HG3  GLU  24           HG1      GLU  24   3.188 -13.943  -3.861
  174    H    ASP  25           HN       ASP  25   5.661 -11.025  -1.079
  175    HA   ASP  25           HA       ASP  25   6.360 -11.936   1.638
  176    HB2  ASP  25           HB2      ASP  25   8.208 -11.223  -0.027
  177    HB3  ASP  25           HB1      ASP  25   7.585  -9.586   0.142
  178    H    VAL  26           HN       VAL  26   4.747  -9.626  -0.252
  179    HA   VAL  26           HA       VAL  26   4.149  -7.732   1.780
  180    HB   VAL  26           HB       VAL  26   3.024  -8.207  -1.008
  181   HG11  VAL  26          HG11      VAL  26   1.292  -7.271   0.415
  182   HG12  VAL  26          HG12      VAL  26   1.856  -6.113  -0.789
  183   HG13  VAL  26          HG13      VAL  26   2.375  -5.957   0.905
  184   HG21  VAL  26          HG21      VAL  26   5.305  -7.316  -0.889
  185   HG22  VAL  26          HG22      VAL  26   4.723  -6.012   0.155
  186   HG23  VAL  26          HG23      VAL  26   4.173  -6.110  -1.513
  187    H    LYS  27           HN       LYS  27   3.460  -8.959   3.369
  188    HA   LYS  27           HA       LYS  27   0.853 -10.347   3.234
  189    HB2  LYS  27           HB2      LYS  27   2.927 -10.157   5.433
  190    HB3  LYS  27           HB1      LYS  27   1.524 -11.225   5.412
  191    HG2  LYS  27           HG2      LYS  27   2.420 -12.426   3.518
  192    HG3  LYS  27           HG1      LYS  27   3.790 -11.323   3.435
  193    HD2  LYS  27           HD2      LYS  27   4.443 -12.071   5.705
  194    HD3  LYS  27           HD1      LYS  27   3.128 -13.249   5.652
  195    HE2  LYS  27           HE2      LYS  27   4.115 -14.245   3.640
  196    HE3  LYS  27           HE1      LYS  27   5.437 -13.084   3.723
  197    HZ1  LYS  27           HZ1      LYS  27   6.022 -14.010   5.899
  198    HZ2  LYS  27           HZ2      LYS  27   6.108 -15.160   4.670
  199    HZ3  LYS  27           HZ3      LYS  27   4.779 -15.153   5.736
  200    H    LEU  28           HN       LEU  28   0.646  -9.628   6.228
  201    HA   LEU  28           HA       LEU  28  -0.519  -6.989   5.613
  202    HB2  LEU  28           HB2      LEU  28  -2.073  -8.978   5.914
  203    HB3  LEU  28           HB1      LEU  28  -1.582  -8.985   7.593
  204    HG   LEU  28           HG       LEU  28  -2.655  -6.496   6.427
  205   HD11  LEU  28          HD11      LEU  28  -4.936  -7.248   6.981
  206   HD12  LEU  28          HD12      LEU  28  -4.279  -8.858   7.354
  207   HD13  LEU  28          HD13      LEU  28  -4.188  -8.217   5.702
  208   HD21  LEU  28          HD21      LEU  28  -1.850  -6.472   8.739
  209   HD22  LEU  28          HD22      LEU  28  -2.942  -7.794   9.149
  210   HD23  LEU  28          HD23      LEU  28  -3.594  -6.216   8.700
  211    H    ASP  29           HN       ASP  29   1.519  -8.729   7.664
  212    HA   ASP  29           HA       ASP  29   1.530  -6.878   9.905
  213    HB2  ASP  29           HB2      ASP  29   1.959  -9.330  10.085
  214    HB3  ASP  29           HB1      ASP  29   3.414  -9.092   9.125
  215    H    LYS  30           HN       LYS  30   2.725  -6.950   6.906
  216    HA   LYS  30           HA       LYS  30   5.481  -6.236   7.284
  217    HB2  LYS  30           HB2      LYS  30   3.745  -6.378   4.867
  218    HB3  LYS  30           HB1      LYS  30   5.429  -5.906   4.805
  219    HG2  LYS  30           HG2      LYS  30   4.597  -8.490   6.062
  220    HG3  LYS  30           HG1      LYS  30   4.869  -8.344   4.321
  221    HD2  LYS  30           HD2      LYS  30   7.135  -7.475   4.782
  222    HD3  LYS  30           HD1      LYS  30   6.844  -7.707   6.499
  223    HE2  LYS  30           HE2      LYS  30   6.844 -10.031   6.325
  224    HE3  LYS  30           HE1      LYS  30   6.569  -9.990   4.583
  225    HZ1  LYS  30           HZ1      LYS  30   9.018  -8.916   5.825
  226    HZ2  LYS  30           HZ2      LYS  30   8.741  -9.332   4.179
  227    HZ3  LYS  30           HZ3      LYS  30   8.908 -10.535   5.347
  228    H    SER  31           HN       SER  31   6.186  -4.252   7.862
  229    HA   SER  31           HA       SER  31   4.777  -1.916   7.169
  230    HB2  SER  31           HB2      SER  31   7.608  -2.368   8.137
  231    HB3  SER  31           HB1      SER  31   6.678  -0.869   8.176
  232    HG   SER  31           HG       SER  31   5.979  -1.494  10.048
  233    H    PHE  32           HN       PHE  32   4.681  -1.518   4.984
  234    HA   PHE  32           HA       PHE  32   6.030  -2.069   2.800
  235    HB2  PHE  32           HB2      PHE  32   5.088   0.617   3.668
  236    HB3  PHE  32           HB1      PHE  32   5.846   0.452   2.108
  237    HD1  PHE  32           HD1      PHE  32   4.770  -1.511   0.652
  238    HD2  PHE  32           HD2      PHE  32   2.864   0.494   3.861
  239    HE1  PHE  32           HE1      PHE  32   2.576  -2.190  -0.229
  240    HE2  PHE  32           HE2      PHE  32   0.670  -0.171   2.981
  241    HZ   PHE  32           HZ       PHE  32   0.542  -1.421   0.833
  242    H    THR  33           HN       THR  33   7.110   1.141   3.716
  243    HA   THR  33           HA       THR  33   9.720   0.671   2.866
  244    HB   THR  33           HB       THR  33   9.575   3.051   4.249
  245    HG1  THR  33           HG1      THR  33   7.437   3.772   3.447
  246   HG21  THR  33          HG21      THR  33   8.871   2.383   1.365
  247   HG22  THR  33          HG22      THR  33  10.472   2.708   1.974
  248   HG23  THR  33          HG23      THR  33   9.244   3.986   1.982
  249    H    ASP  34           HN       ASP  34   9.676  -1.199   4.678
  250    HA   ASP  34           HA       ASP  34  11.710  -0.456   6.509
  251    HB2  ASP  34           HB2      ASP  34   9.926   0.383   7.873
  252    HB3  ASP  34           HB1      ASP  34   9.008  -1.105   7.676
  253    H    ASP  35           HN       ASP  35   9.143  -2.938   6.393
  254    HA   ASP  35           HA       ASP  35  11.188  -4.950   6.947
  255    HB2  ASP  35           HB2      ASP  35   8.717  -4.884   7.926
  256    HB3  ASP  35           HB1      ASP  35   8.341  -5.644   6.389
  257    H    LEU  36           HN       LEU  36   8.770  -4.171   4.539
  258    HA   LEU  36           HA       LEU  36   9.560  -6.136   2.619
  259    HB2  LEU  36           HB2      LEU  36   8.172  -3.473   2.222
  260    HB3  LEU  36           HB1      LEU  36   8.299  -4.733   1.016
  261    HG   LEU  36           HG       LEU  36   6.790  -4.991   3.618
  262   HD11  LEU  36          HD11      LEU  36   4.795  -4.816   2.231
  263   HD12  LEU  36          HD12      LEU  36   5.799  -4.561   0.805
  264   HD13  LEU  36          HD13      LEU  36   5.775  -3.356   2.087
  265   HD21  LEU  36          HD21      LEU  36   6.913  -6.747   1.177
  266   HD22  LEU  36          HD22      LEU  36   5.887  -7.000   2.592
  267   HD23  LEU  36          HD23      LEU  36   7.639  -7.102   2.744
  268    H    ASP  37           HN       ASP  37  10.063  -2.723   3.062
  269    HA   ASP  37           HA       ASP  37  11.638  -1.295   2.655
  270    HB2  ASP  37           HB2      ASP  37  13.292  -2.916   3.511
  271    HB3  ASP  37           HB1      ASP  37  13.458  -3.589   1.889
  272    H    VAL  38           HN       VAL  38  10.778  -0.238   1.296
  273    HA   VAL  38           HA       VAL  38  10.543  -1.053  -1.494
  274    HB   VAL  38           HB       VAL  38   9.153   1.135   0.127
  275   HG11  VAL  38          HG11      VAL  38   8.599   0.323  -2.724
  276   HG12  VAL  38          HG12      VAL  38   9.312   1.850  -2.204
  277   HG13  VAL  38          HG13      VAL  38   7.648   1.459  -1.766
  278   HG21  VAL  38          HG21      VAL  38   7.150  -0.249  -0.121
  279   HG22  VAL  38          HG22      VAL  38   8.439  -1.091   0.737
  280   HG23  VAL  38          HG23      VAL  38   8.110  -1.473  -0.954
  281    H    ASP  39           HN       ASP  39  10.579   2.239  -0.335
  282    HA   ASP  39           HA       ASP  39  13.118   3.140  -0.642
  283    HB2  ASP  39           HB2      ASP  39  12.547   2.393  -3.202
  284    HB3  ASP  39           HB1      ASP  39  11.559   3.859  -3.022
  285    H    SER  40           HN       SER  40  12.817   5.521  -1.236
  286    HA   SER  40           HA       SER  40  10.828   6.507   0.643
  287    HB2  SER  40           HB2      SER  40  12.653   8.291  -0.891
  288    HB3  SER  40           HB1      SER  40  12.291   8.271   0.848
  289    H    LEU  41           HN       LEU  41  11.783   6.736  -2.640
  290    HA   LEU  41           HA       LEU  41   9.697   8.656  -3.364
  291    HB2  LEU  41           HB2      LEU  41  11.846   7.384  -5.051
  292    HB3  LEU  41           HB1      LEU  41  10.756   8.646  -5.588
  293    HG   LEU  41           HG       LEU  41  12.821   8.932  -3.402
  294   HD11  LEU  41          HD11      LEU  41  13.825   8.734  -5.602
  295   HD12  LEU  41          HD12      LEU  41  13.968  10.382  -4.989
  296   HD13  LEU  41          HD13      LEU  41  12.762  10.002  -6.216
  297   HD21  LEU  41          HD21      LEU  41  10.863  10.348  -3.022
  298   HD22  LEU  41          HD22      LEU  41  10.996  10.984  -4.662
  299   HD23  LEU  41          HD23      LEU  41  12.263  11.314  -3.480
  300    H    SER  42           HN       SER  42  10.579   5.376  -3.849
  301    HA   SER  42           HA       SER  42   8.753   4.573  -5.830
  302    HB2  SER  42           HB2      SER  42  10.766   3.296  -5.004
  303    HB3  SER  42           HB1      SER  42   9.872   2.956  -3.527
  304    HG   SER  42           HG       SER  42   9.797   1.774  -5.934
  305    H    MET  43           HN       MET  43   8.546   5.037  -2.414
  306    HA   MET  43           HA       MET  43   6.186   3.738  -1.745
  307    HB2  MET  43           HB2      MET  43   7.774   4.595  -0.152
  308    HB3  MET  43           HB1      MET  43   7.391   6.246  -0.626
  309    HG2  MET  43           HG2      MET  43   6.314   5.487   1.450
  310    HG3  MET  43           HG1      MET  43   5.201   6.062   0.203
  311    HE1  MET  43           HE1      MET  43   6.012   1.572   0.803
  312    HE2  MET  43           HE2      MET  43   6.797   2.846   1.748
  313    HE3  MET  43           HE3      MET  43   7.082   2.758   0.020
  314    H    VAL  44           HN       VAL  44   6.776   6.964  -3.088
  315    HA   VAL  44           HA       VAL  44   4.157   7.961  -2.643
  316    HB   VAL  44           HB       VAL  44   6.285   8.983  -4.545
  317   HG11  VAL  44          HG11      VAL  44   5.197  11.160  -4.265
  318   HG12  VAL  44          HG12      VAL  44   3.960  10.413  -3.254
  319   HG13  VAL  44          HG13      VAL  44   4.095   9.968  -4.955
  320   HG21  VAL  44          HG21      VAL  44   7.208   8.767  -2.309
  321   HG22  VAL  44          HG22      VAL  44   5.842   9.647  -1.632
  322   HG23  VAL  44          HG23      VAL  44   6.977  10.471  -2.705
  323    H    GLU  45           HN       GLU  45   5.786   6.219  -5.183
  324    HA   GLU  45           HA       GLU  45   3.864   6.648  -7.209
  325    HB2  GLU  45           HB2      GLU  45   5.787   4.383  -6.793
  326    HB3  GLU  45           HB1      GLU  45   5.069   4.870  -8.325
  327    HG2  GLU  45           HG2      GLU  45   6.932   6.581  -6.700
  328    HG3  GLU  45           HG1      GLU  45   7.454   5.518  -8.003
  329    H    VAL  46           HN       VAL  46   4.531   4.206  -4.739
  330    HA   VAL  46           HA       VAL  46   2.497   2.360  -5.268
  331    HB   VAL  46           HB       VAL  46   3.667   3.171  -2.568
  332   HG11  VAL  46          HG11      VAL  46   2.082   0.700  -3.285
  333   HG12  VAL  46          HG12      VAL  46   1.525   2.025  -2.263
  334   HG13  VAL  46          HG13      VAL  46   2.864   1.008  -1.732
  335   HG21  VAL  46          HG21      VAL  46   5.337   2.313  -4.124
  336   HG22  VAL  46          HG22      VAL  46   4.347   0.883  -4.414
  337   HG23  VAL  46          HG23      VAL  46   5.052   1.160  -2.820
  338    H    VAL  47           HN       VAL  47   2.454   5.170  -3.109
  339    HA   VAL  47           HA       VAL  47  -0.171   5.193  -2.248
  340    HB   VAL  47           HB       VAL  47   1.493   7.593  -3.098
  341   HG11  VAL  47          HG11      VAL  47  -0.858   8.200  -2.848
  342   HG12  VAL  47          HG12      VAL  47   0.108   8.889  -1.543
  343   HG13  VAL  47          HG13      VAL  47  -0.888   7.468  -1.244
  344   HG21  VAL  47          HG21      VAL  47   2.628   6.220  -1.446
  345   HG22  VAL  47          HG22      VAL  47   1.203   6.269  -0.405
  346   HG23  VAL  47          HG23      VAL  47   2.109   7.748  -0.731
  347    H    VAL  48           HN       VAL  48   1.006   7.089  -5.003
  348    HA   VAL  48           HA       VAL  48  -1.408   7.790  -6.163
  349    HB   VAL  48           HB       VAL  48   1.224   7.231  -7.571
  350   HG11  VAL  48          HG11      VAL  48   0.392   8.676  -9.372
  351   HG12  VAL  48          HG12      VAL  48  -1.169   8.791  -8.559
  352   HG13  VAL  48          HG13      VAL  48  -0.617   7.241  -9.189
  353   HG21  VAL  48          HG21      VAL  48   1.367   8.924  -5.836
  354   HG22  VAL  48          HG22      VAL  48   0.002   9.789  -6.547
  355   HG23  VAL  48          HG23      VAL  48   1.522   9.655  -7.433
  356    H    ALA  49           HN       ALA  49   0.467   4.828  -6.912
  357    HA   ALA  49           HA       ALA  49  -1.317   3.905  -8.898
  358    HB1  ALA  49           HB1      ALA  49   1.017   3.168  -8.754
  359    HB2  ALA  49           HB2      ALA  49  -0.108   1.810  -8.796
  360    HB3  ALA  49           HB3      ALA  49   0.637   2.293  -7.271
  361    H    ALA  50           HN       ALA  50  -1.385   3.616  -5.432
  362    HA   ALA  50           HA       ALA  50  -3.144   1.418  -5.270
  363    HB1  ALA  50           HB1      ALA  50  -2.788   3.705  -3.335
  364    HB2  ALA  50           HB2      ALA  50  -1.851   2.211  -3.352
  365    HB3  ALA  50           HB3      ALA  50  -3.576   2.168  -2.982
  366    H    GLU  51           HN       GLU  51  -3.603   4.853  -5.650
  367    HA   GLU  51           HA       GLU  51  -6.373   4.990  -5.336
  368    HB2  GLU  51           HB2      GLU  51  -4.662   6.723  -7.119
  369    HB3  GLU  51           HB1      GLU  51  -6.180   7.148  -6.341
  370    HG2  GLU  51           HG2      GLU  51  -5.082   6.976  -4.150
  371    HG3  GLU  51           HG1      GLU  51  -3.564   6.613  -4.960
  372    H    GLU  52           HN       GLU  52  -4.334   3.954  -7.909
  373    HA   GLU  52           HA       GLU  52  -6.437   3.921  -9.892
  374    HB2  GLU  52           HB2      GLU  52  -4.107   4.263 -10.588
  375    HB3  GLU  52           HB1      GLU  52  -3.662   2.706  -9.907
  376    HG2  GLU  52           HG2      GLU  52  -3.818   2.470 -12.271
  377    HG3  GLU  52           HG1      GLU  52  -5.175   1.620 -11.542
  378    H    ARG  53           HN       ARG  53  -4.672   1.589  -7.897
  379    HA   ARG  53           HA       ARG  53  -5.768  -0.762  -9.043
  380    HB2  ARG  53           HB2      ARG  53  -3.593  -0.704  -7.948
  381    HB3  ARG  53           HB1      ARG  53  -4.344  -0.258  -6.436
  382    HG2  ARG  53           HG2      ARG  53  -3.727  -2.564  -6.309
  383    HG3  ARG  53           HG1      ARG  53  -5.480  -2.471  -6.392
  384    HD2  ARG  53           HD2      ARG  53  -3.712  -3.017  -8.776
  385    HD3  ARG  53           HD1      ARG  53  -4.404  -4.281  -7.767
  386    HE   ARG  53           HE       ARG  53  -6.547  -2.794  -8.537
  387   HH11  ARG  53          HH11      ARG  53  -3.972  -4.568 -10.241
  388   HH12  ARG  53          HH12      ARG  53  -4.900  -4.870 -11.621
  389   HH21  ARG  53          HH21      ARG  53  -7.849  -3.288 -10.439
  390   HH22  ARG  53          HH22      ARG  53  -7.143  -4.145 -11.743
  391    H    PHE  54           HN       PHE  54  -6.611   1.258  -6.322
  392    HA   PHE  54           HA       PHE  54  -8.768  -0.614  -5.646
  393    HB2  PHE  54           HB2      PHE  54  -7.449   1.488  -3.961
  394    HB3  PHE  54           HB1      PHE  54  -8.702   0.369  -3.451
  395    HD1  PHE  54           HD1      PHE  54  -7.976  -2.200  -4.174
  396    HD2  PHE  54           HD2      PHE  54  -5.399   1.017  -3.149
  397    HE1  PHE  54           HE1      PHE  54  -6.235  -3.795  -3.497
  398    HE2  PHE  54           HE2      PHE  54  -3.666  -0.604  -2.449
  399    HZ   PHE  54           HZ       PHE  54  -4.089  -2.983  -2.656
  400    H    ASP  55           HN       ASP  55  -8.217   2.221  -7.193
  401    HA   ASP  55           HA       ASP  55  -9.474   3.890  -8.052
  402    HB2  ASP  55           HB2      ASP  55 -11.357   2.094  -8.094
  403    HB3  ASP  55           HB1      ASP  55 -11.931   2.872  -6.640
  404    H    VAL  56           HN       VAL  56  -9.428   3.326  -4.738
  405    HA   VAL  56           HA       VAL  56 -10.780   5.710  -3.929
  406    HB   VAL  56           HB       VAL  56 -10.935   3.818  -2.447
  407   HG11  VAL  56          HG11      VAL  56  -7.931   3.886  -2.191
  408   HG12  VAL  56          HG12      VAL  56  -8.882   2.644  -3.002
  409   HG13  VAL  56          HG13      VAL  56  -9.019   2.858  -1.258
  410   HG21  VAL  56          HG21      VAL  56 -10.942   5.980  -1.358
  411   HG22  VAL  56          HG22      VAL  56  -9.184   5.937  -1.210
  412   HG23  VAL  56          HG23      VAL  56 -10.173   4.779  -0.317
  413    H    LYS  57           HN       LYS  57  -9.995   7.585  -3.821
  414    HA   LYS  57           HA       LYS  57  -7.277   8.163  -4.516
  415    HB2  LYS  57           HB2      LYS  57  -9.467   9.562  -4.918
  416    HB3  LYS  57           HB1      LYS  57  -9.178  10.149  -3.288
  417    HG2  LYS  57           HG2      LYS  57  -8.235  11.738  -4.758
  418    HG3  LYS  57           HG1      LYS  57  -6.879  10.834  -4.073
  419    HD2  LYS  57           HD2      LYS  57  -6.937   9.365  -6.100
  420    HD3  LYS  57           HD1      LYS  57  -8.132  10.459  -6.791
  421    HE2  LYS  57           HE2      LYS  57  -5.310  11.160  -5.994
  422    HE3  LYS  57           HE1      LYS  57  -5.897  10.942  -7.638
  423    HZ1  LYS  57           HZ1      LYS  57  -5.753  13.227  -7.170
  424    HZ2  LYS  57           HZ2      LYS  57  -6.613  13.115  -5.737
  425    HZ3  LYS  57           HZ3      LYS  57  -7.408  12.869  -7.223
  426    H    ILE  58           HN       ILE  58  -5.685   7.953  -3.076
  427    HA   ILE  58           HA       ILE  58  -6.234   8.419  -0.231
  428    HB   ILE  58           HB       ILE  58  -4.088   6.541  -1.327
  429   HG12  ILE  58          HG12      ILE  58  -6.776   5.782  -0.147
  430   HG13  ILE  58          HG11      ILE  58  -6.372   5.698  -1.857
  431   HG21  ILE  58          HG21      ILE  58  -4.006   5.724   1.021
  432   HG22  ILE  58          HG22      ILE  58  -5.231   6.886   1.467
  433   HG23  ILE  58          HG23      ILE  58  -3.647   7.451   0.935
  434   HD11  ILE  58          HD11      ILE  58  -4.657   4.029  -1.359
  435   HD12  ILE  58          HD12      ILE  58  -6.253   3.520  -0.802
  436   HD13  ILE  58          HD13      ILE  58  -5.071   4.131   0.352
  437    HA   PRO  59           HA       PRO  59  -3.521  11.624  -1.736
  438    HB2  PRO  59           HB2      PRO  59  -3.857  13.311   0.370
  439    HB3  PRO  59           HB1      PRO  59  -5.014  13.162  -0.958
  440    HG2  PRO  59           HG2      PRO  59  -5.101  11.974   1.779
  441    HG3  PRO  59           HG1      PRO  59  -6.416  12.669   0.813
  442    HD2  PRO  59           HD2      PRO  59  -5.987   9.991   1.064
  443    HD3  PRO  59           HD1      PRO  59  -6.736  10.729  -0.363
  444    H    ASP  60           HN       ASP  60  -1.414  11.662  -1.599
  445    HA   ASP  60           HA       ASP  60   0.430  10.583  -0.043
  446    HB2  ASP  60           HB2      ASP  60   1.270  11.783  -1.832
  447    HB3  ASP  60           HB1      ASP  60   0.427  13.257  -1.382
  448    H    ASP  61           HN       ASP  61  -1.347  13.385   0.967
  449    HA   ASP  61           HA       ASP  61   0.322  13.883   3.248
  450    HB2  ASP  61           HB2      ASP  61  -0.971  15.703   2.261
  451    HB3  ASP  61           HB1      ASP  61  -2.467  14.887   2.703
  452    H    ASP  62           HN       ASP  62  -2.802  12.265   2.828
  453    HA   ASP  62           HA       ASP  62  -3.019  11.767   5.693
  454    HB2  ASP  62           HB2      ASP  62  -4.976  12.485   4.232
  455    HB3  ASP  62           HB1      ASP  62  -4.840  10.915   3.449
  456    H    VAL  63           HN       VAL  63  -2.006  10.201   2.870
  457    HA   VAL  63           HA       VAL  63  -2.284   7.518   3.655
  458    HB   VAL  63           HB       VAL  63  -1.755   8.417   1.315
  459   HG11  VAL  63          HG11      VAL  63   0.582   8.515   0.651
  460   HG12  VAL  63          HG12      VAL  63   1.054   8.357   2.345
  461   HG13  VAL  63          HG13      VAL  63   0.150   9.772   1.811
  462   HG21  VAL  63          HG21      VAL  63  -0.530   6.433   0.637
  463   HG22  VAL  63          HG22      VAL  63  -1.865   6.078   1.735
  464   HG23  VAL  63          HG23      VAL  63  -0.196   6.069   2.334
  465    H    LYS  64           HN       LYS  64  -0.170   9.959   4.683
  466    HA   LYS  64           HA       LYS  64   2.118   8.505   5.297
  467    HB2  LYS  64           HB2      LYS  64   1.163  11.044   6.618
  468    HB3  LYS  64           HB1      LYS  64   2.799  10.407   6.681
  469    HG2  LYS  64           HG2      LYS  64   2.902  10.646   4.191
  470    HG3  LYS  64           HG1      LYS  64   1.346  11.456   4.250
  471    HD2  LYS  64           HD2      LYS  64   2.366  13.110   5.842
  472    HD3  LYS  64           HD1      LYS  64   3.927  12.355   5.527
  473    HE2  LYS  64           HE2      LYS  64   2.155  13.811   3.553
  474    HE3  LYS  64           HE1      LYS  64   3.736  14.301   4.132
  475    HZ1  LYS  64           HZ1      LYS  64   4.656  12.297   3.021
  476    HZ2  LYS  64           HZ2      LYS  64   3.971  13.402   1.959
  477    HZ3  LYS  64           HZ3      LYS  64   3.126  12.010   2.336
  478    H    ASN  65           HN       ASN  65  -0.874   8.291   6.740
  479    HA   ASN  65           HA       ASN  65   0.132   7.645   9.408
  480    HB2  ASN  65           HB2      ASN  65  -2.698   7.742   8.346
  481    HB3  ASN  65           HB1      ASN  65  -2.248   7.428  10.015
  482   HD21  ASN  65          HD21      ASN  65  -3.838   9.529   8.761
  483   HD22  ASN  65          HD22      ASN  65  -3.162  11.028   9.254
  484    H    LEU  66           HN       LEU  66  -0.207   6.035   6.550
  485    HA   LEU  66           HA       LEU  66  -1.432   3.655   7.632
  486    HB2  LEU  66           HB2      LEU  66  -0.280   4.117   4.887
  487    HB3  LEU  66           HB1      LEU  66  -1.226   2.726   5.384
  488    HG   LEU  66           HG       LEU  66  -2.200   5.572   5.177
  489   HD11  LEU  66          HD11      LEU  66  -1.932   4.497   3.029
  490   HD12  LEU  66          HD12      LEU  66  -3.639   4.712   3.415
  491   HD13  LEU  66          HD13      LEU  66  -2.890   3.122   3.578
  492   HD21  LEU  66          HD21      LEU  66  -4.407   4.664   5.714
  493   HD22  LEU  66          HD22      LEU  66  -3.279   4.448   7.059
  494   HD23  LEU  66          HD23      LEU  66  -3.689   3.089   6.009
  495    H    LYS  67           HN       LYS  67   1.566   3.971   5.751
  496    HA   LYS  67           HA       LYS  67   3.485   3.074   5.772
  497    HB2  LYS  67           HB2      LYS  67   4.809   2.820   7.937
  498    HB3  LYS  67           HB1      LYS  67   4.179   4.403   7.554
  499    HG2  LYS  67           HG2      LYS  67   3.919   4.085   9.881
  500    HG3  LYS  67           HG1      LYS  67   2.314   3.921   9.173
  501    HD2  LYS  67           HD2      LYS  67   2.664   1.436   9.220
  502    HD3  LYS  67           HD1      LYS  67   4.135   1.729  10.151
  503    HE2  LYS  67           HE2      LYS  67   1.336   2.546  10.931
  504    HE3  LYS  67           HE1      LYS  67   2.259   1.216  11.621
  505    HZ1  LYS  67           HZ1      LYS  67   2.328   3.154  13.029
  506    HZ2  LYS  67           HZ2      LYS  67   2.981   4.102  11.796
  507    HZ3  LYS  67           HZ3      LYS  67   3.879   2.819  12.429
  508    H    THR  68           HN       THR  68   1.284   1.014   7.334
  509    HA   THR  68           HA       THR  68   3.037  -1.194   6.472
  510    HB   THR  68           HB       THR  68   1.543  -2.740   7.672
  511    HG1  THR  68           HG1      THR  68   0.380  -0.792   9.305
  512   HG21  THR  68          HG21      THR  68   2.322  -2.289   9.936
  513   HG22  THR  68          HG22      THR  68   2.871  -0.673   9.419
  514   HG23  THR  68          HG23      THR  68   3.568  -2.149   8.707
  515    H    VAL  69           HN       VAL  69   1.947  -3.008   5.589
  516    HA   VAL  69           HA       VAL  69   0.172  -2.355   3.507
  517    HB   VAL  69           HB       VAL  69  -0.041  -4.929   3.427
  518   HG11  VAL  69          HG11      VAL  69   1.512  -3.624   1.983
  519   HG12  VAL  69          HG12      VAL  69   2.233  -5.153   2.482
  520   HG13  VAL  69          HG13      VAL  69   2.707  -3.651   3.279
  521   HG21  VAL  69          HG21      VAL  69   0.554  -5.325   5.707
  522   HG22  VAL  69          HG22      VAL  69   2.145  -4.616   5.432
  523   HG23  VAL  69          HG23      VAL  69   1.691  -6.115   4.621
  524    H    GLY  70           HN       GLY  70  -0.234  -3.852   6.697
  525    HA2  GLY  70           HA2      GLY  70  -2.936  -4.499   6.518
  526    HA3  GLY  70           HA1      GLY  70  -2.052  -4.189   8.004
  527    H    ASP  71           HN       ASP  71  -1.373  -1.585   7.797
  528    HA   ASP  71           HA       ASP  71  -3.811  -0.295   8.400
  529    HB2  ASP  71           HB2      ASP  71  -1.040   0.824   8.039
  530    HB3  ASP  71           HB1      ASP  71  -2.423   1.863   8.334
  531    H    ALA  72           HN       ALA  72  -1.761  -0.199   5.533
  532    HA   ALA  72           HA       ALA  72  -3.156   1.735   4.097
  533    HB1  ALA  72           HB1      ALA  72  -2.296   0.623   2.079
  534    HB2  ALA  72           HB2      ALA  72  -1.863  -0.787   3.047
  535    HB3  ALA  72           HB3      ALA  72  -1.049   0.755   3.318
  536    H    THR  73           HN       THR  73  -3.549  -1.793   3.807
  537    HA   THR  73           HA       THR  73  -5.902  -2.041   2.561
  538    HB   THR  73           HB       THR  73  -4.943  -3.599   4.960
  539    HG1  THR  73           HG1      THR  73  -3.398  -3.834   3.494
  540   HG21  THR  73          HG21      THR  73  -7.282  -4.051   4.439
  541   HG22  THR  73          HG22      THR  73  -6.289  -5.442   3.963
  542   HG23  THR  73          HG23      THR  73  -6.873  -4.290   2.751
  543    H    LYS  74           HN       LYS  74  -5.576  -1.639   6.116
  544    HA   LYS  74           HA       LYS  74  -8.252  -1.673   6.789
  545    HB2  LYS  74           HB2      LYS  74  -6.583  -1.893   8.479
  546    HB3  LYS  74           HB1      LYS  74  -5.846  -0.367   8.058
  547    HG2  LYS  74           HG2      LYS  74  -8.627  -0.400   9.151
  548    HG3  LYS  74           HG1      LYS  74  -7.260  -0.628  10.253
  549    HD2  LYS  74           HD2      LYS  74  -7.755   1.733   8.421
  550    HD3  LYS  74           HD1      LYS  74  -7.947   1.718  10.174
  551    HE2  LYS  74           HE2      LYS  74  -5.354   1.288   8.677
  552    HE3  LYS  74           HE1      LYS  74  -5.834   2.776   9.488
  553    HZ1  LYS  74           HZ1      LYS  74  -4.301   1.391  10.790
  554    HZ2  LYS  74           HZ2      LYS  74  -5.405   0.154  10.860
  555    HZ3  LYS  74           HZ3      LYS  74  -5.748   1.647  11.602
  556    H    TYR  75           HN       TYR  75  -6.340   1.016   5.524
  557    HA   TYR  75           HA       TYR  75  -8.267   3.011   6.033
  558    HB2  TYR  75           HB2      TYR  75  -5.866   3.437   5.671
  559    HB3  TYR  75           HB1      TYR  75  -6.002   2.824   4.037
  560    HD1  TYR  75           HD2      TYR  75  -7.282   4.148   2.350
  561    HD2  TYR  75           HD1      TYR  75  -6.385   5.693   6.205
  562    HE1  TYR  75           HE2      TYR  75  -7.812   6.448   1.575
  563    HE2  TYR  75           HE1      TYR  75  -6.900   7.964   5.413
  564    HH   TYR  75           HH       TYR  75  -8.303   8.465   2.276
  565    H    ILE  76           HN       ILE  76  -7.193   1.223   3.217
  566    HA   ILE  76           HA       ILE  76  -9.022   2.119   1.329
  567    HB   ILE  76           HB       ILE  76  -7.569  -0.534   1.510
  568   HG12  ILE  76          HG12      ILE  76  -6.777   1.977   0.049
  569   HG13  ILE  76          HG11      ILE  76  -6.230   1.595   1.675
  570   HG21  ILE  76          HG21      ILE  76  -8.756   0.900  -0.879
  571   HG22  ILE  76          HG22      ILE  76  -9.381  -0.583  -0.153
  572   HG23  ILE  76          HG23      ILE  76  -7.799  -0.582  -0.934
  573   HD11  ILE  76          HD11      ILE  76  -4.568   1.023   0.015
  574   HD12  ILE  76          HD12      ILE  76  -5.731  -0.046  -0.782
  575   HD13  ILE  76          HD13      ILE  76  -5.164  -0.413   0.849
  576    H    LEU  77           HN       LEU  77  -9.103  -0.767   3.337
  577    HA   LEU  77           HA       LEU  77 -11.453  -1.959   2.562
  578    HB2  LEU  77           HB2      LEU  77  -9.866  -2.870   4.177
  579    HB3  LEU  77           HB1      LEU  77 -10.346  -1.660   5.345
  580    HG   LEU  77           HG       LEU  77 -12.630  -2.647   5.325
  581   HD11  LEU  77          HD11      LEU  77 -12.912  -4.880   4.412
  582   HD12  LEU  77          HD12      LEU  77 -11.296  -4.795   3.710
  583   HD13  LEU  77          HD13      LEU  77 -12.558  -3.692   3.159
  584   HD21  LEU  77          HD21      LEU  77 -10.369  -4.484   6.090
  585   HD22  LEU  77          HD22      LEU  77 -12.025  -4.575   6.687
  586   HD23  LEU  77          HD23      LEU  77 -11.026  -3.174   7.073
  587    H    ASP  78           HN       ASP  78 -10.985   0.709   4.705
  588    HA   ASP  78           HA       ASP  78 -13.852   0.862   5.385
  589    HB2  ASP  78           HB2      ASP  78 -12.333   1.294   7.211
  590    HB3  ASP  78           HB1      ASP  78 -11.534   2.566   6.296
  591    H    HIS  79           HN       HIS  79 -11.458   2.673   3.707
  592    HA   HIS  79           HA       HIS  79 -13.220   4.852   3.119
  593    HB2  HIS  79           HB2      HIS  79 -10.314   4.361   2.681
  594    HB3  HIS  79           HB1      HIS  79 -11.060   5.732   1.905
  595    HD1  HIS  79           HD1      HIS  79 -11.589   7.749   3.426
  596    HD2  HIS  79           HD2      HIS  79 -10.204   4.448   5.527
  597    HE1  HIS  79           HE1      HIS  79 -11.096   8.574   5.741
  598    HE2  HIS  79           HE2      HIS  79 -10.727   6.454   7.027
  599    H    GLN  80           HN       GLN  80 -13.042   1.975   1.774
  600    HA   GLN  80           HA       GLN  80 -12.942   1.877  -0.927
  601    HB2  GLN  80           HB2      GLN  80 -15.160   1.103   0.866
  602    HB3  GLN  80           HB1      GLN  80 -15.281   0.751  -0.860
  603    HG2  GLN  80           HG2      GLN  80 -13.392  -0.353   1.213
  604    HG3  GLN  80           HG1      GLN  80 -14.699  -1.181   0.366
  605   HE21  GLN  80          HE21      GLN  80 -11.539  -0.308   0.357
  606   HE22  GLN  80          HE22      GLN  80 -11.037  -0.969  -1.158
  607    H    ALA  81           HN       ALA  81 -13.695   3.146  -2.614
  608    HA   ALA  81           HA       ALA  81 -16.230   4.487  -2.274
  609    HB1  ALA  81           HB1      ALA  81 -13.689   5.851  -3.194
  610    HB2  ALA  81           HB2      ALA  81 -14.531   6.158  -1.676
  611    HB3  ALA  81           HB3      ALA  81 -15.303   6.561  -3.211
  612    H2   SHW 101           H2A      SHW 101   1.848   6.053   2.326
  613    H2A  SHW 101           H2B      SHW 101   3.050   5.073   1.496
  614    H3   SHW 101           H3A      SHW 101   2.012   4.555   4.303
  615    HO3  SHW 101           HO3      SHW 101   3.967   3.371   2.686
  616    H4   SHW 101           H4A      SHW 101   0.304   4.121   2.624
  617    H4A  SHW 101           H4B      SHW 101   0.918   2.601   3.252
  618    H5   SHW 101           H5A      SHW 101   2.289   2.308   1.253
  619    H5A  SHW 101           H5B      SHW 101   1.714   3.850   0.622
  620    H6   SHW 101           H6A      SHW 101  -0.026   1.464   1.229
  621    H6A  SHW 101           H6B      SHW 101   0.529   1.934  -0.377
  622    H7   SHW 101           H7A      SHW 101  -0.683   4.031  -0.225
  623    H7A  SHW 101           H7B      SHW 101  -1.187   3.637   1.430
  624    H8   SHW 101           H8C      SHW 101  -2.948   3.156  -0.193
  625    H8A  SHW 101           H8A      SHW 101  -2.372   1.681   0.582
  626    H8B  SHW 101           H8B      SHW 101  -1.855   2.076  -1.058
  627    H28  SHW 101          H28A      SHW 101  11.509   7.301   2.202
  628   H28A  SHW 101          H28B      SHW 101  12.080   6.076   3.339
  629    H30  SHW 101          H30A      SHW 101  13.426   7.812   5.320
  630   H30A  SHW 101          H30B      SHW 101  12.232   6.569   5.708
  631   H30B  SHW 101          H30C      SHW 101  12.031   8.210   6.323
  632    H31  SHW 101          H31A      SHW 101  11.272   9.716   3.026
  633   H31A  SHW 101          H31B      SHW 101  12.863   9.641   3.783
  634   H31B  SHW 101          H31C      SHW 101  11.447  10.063   4.746
  635    H32  SHW 101          H32A      SHW 101   9.759   8.443   5.337
  636   HO33  SHW 101          H33A      SHW 101   8.867   7.439   3.030
  637   HN36  SHW 101          H36A      SHW 101   7.852   7.223   5.172
  638    H37  SHW 101          H37A      SHW 101   6.903   4.944   4.754
  639   H37A  SHW 101          H37B      SHW 101   8.204   4.358   5.808
  640    H38  SHW 101          H38A      SHW 101   5.903   4.668   6.870
  641   H38A  SHW 101          H38B      SHW 101   7.236   5.451   7.668
  642   HN41  SHW 101          H41A      SHW 101   5.787   6.674   4.697
  643    H42  SHW 101          H42A      SHW 101   4.114   8.668   5.754
  644   H42A  SHW 101          H42B      SHW 101   5.761   9.232   5.464
  645    H43  SHW 101          H43A      SHW 101   5.622   8.422   3.110
  646   H43A  SHW 101          H43B      SHW 101   4.662   9.813   3.569
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1 -17.677  -2.482  -0.227
    2    H2   ALA   1           HT2      ALA   1 -18.071  -2.153   1.406
    3    H3   ALA   1           HT3      ALA   1 -17.952  -3.755   0.854
    4    HA   ALA   1           HA       ALA   1 -15.706  -1.860   0.905
    5    HB1  ALA   1           HB1      ALA   1 -16.334  -4.216   2.696
    6    HB2  ALA   1           HB2      ALA   1 -16.412  -2.517   3.169
    7    HB3  ALA   1           HB3      ALA   1 -14.862  -3.243   2.738
    8    H    ALA   2           HN       ALA   2 -13.740  -3.611   1.087
    9    HA   ALA   2           HA       ALA   2 -14.151  -5.522  -1.089
   10    HB1  ALA   2           HB1      ALA   2 -12.916  -3.600  -1.986
   11    HB2  ALA   2           HB2      ALA   2 -11.862  -5.013  -1.869
   12    HB3  ALA   2           HB3      ALA   2 -11.751  -3.727  -0.668
   13    H    THR   3           HN       THR   3 -12.688  -7.397  -0.906
   14    HA   THR   3           HA       THR   3 -12.494  -8.290   1.735
   15    HB   THR   3           HB       THR   3 -10.918  -9.638  -0.359
   16    HG1  THR   3           HG1      THR   3 -12.414  -9.546  -1.907
   17   HG21  THR   3          HG21      THR   3 -13.387 -10.363   1.215
   18   HG22  THR   3          HG22      THR   3 -11.729 -10.692   1.717
   19   HG23  THR   3          HG23      THR   3 -12.399 -11.495   0.287
   20    H    GLN   4           HN       GLN   4 -10.736  -8.105   3.081
   21    HA   GLN   4           HA       GLN   4  -8.979  -5.983   2.700
   22    HB2  GLN   4           HB2      GLN   4  -8.673  -8.247   4.663
   23    HB3  GLN   4           HB1      GLN   4  -7.888  -6.672   4.750
   24    HG2  GLN   4           HG2      GLN   4 -10.078  -5.602   4.924
   25    HG3  GLN   4           HG1      GLN   4 -10.844  -7.186   4.876
   26   HE21  GLN   4          HE21      GLN   4  -7.872  -6.447   6.621
   27   HE22  GLN   4          HE22      GLN   4  -8.550  -6.622   8.189
   28    H    GLU   5           HN       GLU   5  -8.461  -9.369   2.202
   29    HA   GLU   5           HA       GLU   5  -5.608  -9.001   1.842
   30    HB2  GLU   5           HB2      GLU   5  -7.305 -11.476   1.604
   31    HB3  GLU   5           HB1      GLU   5  -5.543 -11.445   1.505
   32    HG2  GLU   5           HG2      GLU   5  -5.379 -10.607   3.743
   33    HG3  GLU   5           HG1      GLU   5  -7.133 -10.486   3.862
   34    H    GLU   6           HN       GLU   6  -8.403  -9.271  -0.028
   35    HA   GLU   6           HA       GLU   6  -7.318  -9.632  -2.600
   36    HB2  GLU   6           HB2      GLU   6  -9.690  -9.851  -1.986
   37    HB3  GLU   6           HB1      GLU   6  -9.761  -8.138  -1.637
   38    HG2  GLU   6           HG2      GLU   6  -9.406  -7.677  -4.010
   39    HG3  GLU   6           HG1      GLU   6  -9.373  -9.422  -4.323
   40    H    ILE   7           HN       ILE   7  -7.886  -6.888  -0.500
   41    HA   ILE   7           HA       ILE   7  -6.983  -4.817  -2.194
   42    HB   ILE   7           HB       ILE   7  -6.859  -4.990   0.824
   43   HG12  ILE   7          HG12      ILE   7  -9.175  -4.213  -0.974
   44   HG13  ILE   7          HG11      ILE   7  -9.075  -5.483   0.194
   45   HG21  ILE   7          HG21      ILE   7  -6.969  -2.592  -1.018
   46   HG22  ILE   7          HG22      ILE   7  -5.574  -3.130  -0.085
   47   HG23  ILE   7          HG23      ILE   7  -7.004  -2.521   0.745
   48   HD11  ILE   7          HD11      ILE   7  -9.016  -3.933   2.039
   49   HD12  ILE   7          HD12      ILE   7 -10.431  -3.641   1.030
   50   HD13  ILE   7          HD13      ILE   7  -9.035  -2.570   0.922
   51    H    VAL   8           HN       VAL   8  -5.448  -6.598   0.466
   52    HA   VAL   8           HA       VAL   8  -2.870  -5.655   0.292
   53    HB   VAL   8           HB       VAL   8  -3.833  -8.429   1.032
   54   HG11  VAL   8          HG11      VAL   8  -1.716  -8.674   2.243
   55   HG12  VAL   8          HG12      VAL   8  -1.161  -7.128   1.588
   56   HG13  VAL   8          HG13      VAL   8  -1.455  -8.494   0.507
   57   HG21  VAL   8          HG21      VAL   8  -3.648  -7.573   3.322
   58   HG22  VAL   8          HG22      VAL   8  -4.773  -6.617   2.353
   59   HG23  VAL   8          HG23      VAL   8  -3.173  -6.000   2.684
   60    H    ALA   9           HN       ALA   9  -4.319  -8.281  -1.548
   61    HA   ALA   9           HA       ALA   9  -2.017  -9.087  -2.971
   62    HB1  ALA   9           HB1      ALA   9  -4.063 -10.448  -2.916
   63    HB2  ALA   9           HB2      ALA   9  -3.548 -10.114  -4.573
   64    HB3  ALA   9           HB3      ALA   9  -4.894  -9.219  -3.872
   65    H    GLY  10           HN       GLY  10  -4.416  -6.606  -3.546
   66    HA2  GLY  10           HA2      GLY  10  -3.537  -5.794  -6.115
   67    HA3  GLY  10           HA1      GLY  10  -4.494  -4.843  -4.972
   68    H    LEU  11           HN       LEU  11  -2.842  -4.749  -2.843
   69    HA   LEU  11           HA       LEU  11  -1.049  -2.677  -3.480
   70    HB2  LEU  11           HB2      LEU  11  -1.240  -4.453  -1.059
   71    HB3  LEU  11           HB1      LEU  11  -0.121  -3.114  -1.192
   72    HG   LEU  11           HG       LEU  11  -3.124  -2.842  -1.316
   73   HD11  LEU  11          HD11      LEU  11  -2.912  -1.912   0.932
   74   HD12  LEU  11          HD12      LEU  11  -1.189  -2.283   0.927
   75   HD13  LEU  11          HD13      LEU  11  -2.374  -3.591   0.887
   76   HD21  LEU  11          HD21      LEU  11  -2.645  -0.464  -1.045
   77   HD22  LEU  11          HD22      LEU  11  -1.904  -1.099  -2.514
   78   HD23  LEU  11          HD23      LEU  11  -0.914  -0.801  -1.086
   79    H    ALA  12           HN       ALA  12  -0.513  -6.055  -2.687
   80    HA   ALA  12           HA       ALA  12   2.228  -6.206  -2.723
   81    HB1  ALA  12           HB1      ALA  12   1.931  -8.593  -3.124
   82    HB2  ALA  12           HB2      ALA  12   0.281  -8.303  -3.665
   83    HB3  ALA  12           HB3      ALA  12   0.726  -7.994  -1.989
   84    H    GLU  13           HN       GLU  13   0.000  -6.552  -5.435
   85    HA   GLU  13           HA       GLU  13   2.091  -7.090  -7.263
   86    HB2  GLU  13           HB2      GLU  13   0.433  -6.774  -9.067
   87    HB3  GLU  13           HB1      GLU  13  -0.124  -7.863  -7.808
   88    HG2  GLU  13           HG2      GLU  13  -1.429  -6.038  -6.849
   89    HG3  GLU  13           HG1      GLU  13  -0.934  -4.991  -8.168
   90    H    ILE  14           HN       ILE  14   0.568  -4.132  -6.361
   91    HA   ILE  14           HA       ILE  14   1.798  -2.400  -8.212
   92    HB   ILE  14           HB       ILE  14   0.863  -1.985  -5.368
   93   HG12  ILE  14          HG12      ILE  14  -0.477  -1.175  -7.932
   94   HG13  ILE  14          HG11      ILE  14  -0.783  -2.712  -7.122
   95   HG21  ILE  14          HG21      ILE  14   0.819   0.409  -5.869
   96   HG22  ILE  14          HG22      ILE  14   1.559   0.083  -7.442
   97   HG23  ILE  14          HG23      ILE  14   2.454  -0.254  -5.959
   98   HD11  ILE  14          HD11      ILE  14  -1.207   0.009  -5.934
   99   HD12  ILE  14          HD12      ILE  14  -1.484  -1.570  -5.168
  100   HD13  ILE  14          HD13      ILE  14  -2.456  -1.091  -6.563
  101    H    VAL  15           HN       VAL  15   2.657  -3.417  -4.945
  102    HA   VAL  15           HA       VAL  15   5.018  -1.987  -4.599
  103    HB   VAL  15           HB       VAL  15   4.267  -4.686  -3.446
  104   HG11  VAL  15          HG11      VAL  15   5.886  -4.192  -1.656
  105   HG12  VAL  15          HG12      VAL  15   6.381  -2.733  -2.511
  106   HG13  VAL  15          HG13      VAL  15   6.679  -4.315  -3.226
  107   HG21  VAL  15          HG21      VAL  15   3.993  -1.907  -2.340
  108   HG22  VAL  15          HG22      VAL  15   3.616  -3.395  -1.476
  109   HG23  VAL  15          HG23      VAL  15   2.686  -2.944  -2.909
  110    H    ASN  16           HN       ASN  16   4.465  -5.046  -6.202
  111    HA   ASN  16           HA       ASN  16   7.228  -5.660  -6.453
  112    HB2  ASN  16           HB2      ASN  16   5.350  -7.308  -6.577
  113    HB3  ASN  16           HB1      ASN  16   4.990  -6.680  -8.180
  114   HD21  ASN  16          HD21      ASN  16   7.340  -8.289  -6.246
  115   HD22  ASN  16          HD22      ASN  16   8.190  -9.083  -7.517
  116    H    GLU  17           HN       GLU  17   4.987  -3.788  -8.369
  117    HA   GLU  17           HA       GLU  17   6.573  -3.650 -10.710
  118    HB2  GLU  17           HB2      GLU  17   4.347  -1.936  -9.667
  119    HB3  GLU  17           HB1      GLU  17   5.027  -1.870 -11.281
  120    HG2  GLU  17           HG2      GLU  17   3.727  -4.178 -10.008
  121    HG3  GLU  17           HG1      GLU  17   2.917  -3.110 -11.164
  122    H    ILE  18           HN       ILE  18   5.911  -1.562  -7.968
  123    HA   ILE  18           HA       ILE  18   7.593   0.451  -9.092
  124    HB   ILE  18           HB       ILE  18   5.938   0.496  -6.554
  125   HG12  ILE  18          HG12      ILE  18   5.480   1.964  -9.108
  126   HG13  ILE  18          HG11      ILE  18   4.811   0.328  -8.882
  127   HG21  ILE  18          HG21      ILE  18   6.287   2.910  -6.606
  128   HG22  ILE  18          HG22      ILE  18   7.353   2.734  -8.001
  129   HG23  ILE  18          HG23      ILE  18   7.817   2.050  -6.438
  130   HD11  ILE  18          HD11      ILE  18   3.179   2.040  -8.450
  131   HD12  ILE  18          HD12      ILE  18   4.264   2.825  -7.300
  132   HD13  ILE  18          HD13      ILE  18   3.594   1.233  -6.938
  133    H    ALA  19           HN       ALA  19   7.427  -1.309  -5.982
  134    HA   ALA  19           HA       ALA  19   9.929  -0.276  -4.974
  135    HB1  ALA  19           HB1      ALA  19   9.507  -1.809  -3.120
  136    HB2  ALA  19           HB2      ALA  19   8.148  -2.498  -4.003
  137    HB3  ALA  19           HB3      ALA  19   8.098  -0.811  -3.483
  138    H    GLY  20           HN       GLY  20   8.641  -3.251  -6.337
  139    HA2  GLY  20           HA2      GLY  20   9.823  -4.851  -7.603
  140    HA3  GLY  20           HA1      GLY  20  11.335  -4.211  -6.964
  141    H    ILE  21           HN       ILE  21   8.752  -4.785  -4.802
  142    HA   ILE  21           HA       ILE  21  10.366  -6.848  -3.510
  143    HB   ILE  21           HB       ILE  21   8.018  -5.245  -2.444
  144   HG12  ILE  21          HG12      ILE  21   9.920  -3.799  -2.792
  145   HG13  ILE  21          HG11      ILE  21   9.726  -4.079  -1.067
  146   HG21  ILE  21          HG21      ILE  21   8.622  -6.097  -0.227
  147   HG22  ILE  21          HG22      ILE  21   9.876  -7.098  -0.957
  148   HG23  ILE  21          HG23      ILE  21   8.181  -7.404  -1.329
  149   HD11  ILE  21          HD11      ILE  21  11.548  -5.703  -1.131
  150   HD12  ILE  21          HD12      ILE  21  12.064  -4.123  -1.719
  151   HD13  ILE  21          HD13      ILE  21  11.733  -5.426  -2.863
  152    HA   PRO  22           HA       PRO  22   7.896 -10.442  -4.671
  153    HB2  PRO  22           HB2      PRO  22   7.845 -11.099  -1.870
  154    HB3  PRO  22           HB1      PRO  22   8.739 -11.884  -3.174
  155    HG2  PRO  22           HG2      PRO  22   9.640  -9.836  -1.249
  156    HG3  PRO  22           HG1      PRO  22  10.597 -10.997  -2.189
  157    HD2  PRO  22           HD2      PRO  22  10.660  -8.397  -2.810
  158    HD3  PRO  22           HD1      PRO  22  10.586  -9.655  -4.081
  159    H    VAL  23           HN       VAL  23   5.923 -10.460  -5.076
  160    HA   VAL  23           HA       VAL  23   3.867  -8.933  -3.868
  161    HB   VAL  23           HB       VAL  23   3.692 -11.435  -5.604
  162   HG11  VAL  23          HG11      VAL  23   1.439 -10.722  -6.211
  163   HG12  VAL  23          HG12      VAL  23   1.544  -9.394  -5.056
  164   HG13  VAL  23          HG13      VAL  23   1.564 -11.063  -4.485
  165   HG21  VAL  23          HG21      VAL  23   3.327  -9.887  -7.453
  166   HG22  VAL  23          HG22      VAL  23   4.896  -9.645  -6.682
  167   HG23  VAL  23          HG23      VAL  23   3.571  -8.530  -6.352
  168    H    GLU  24           HN       GLU  24   5.357 -11.780  -3.064
  169    HA   GLU  24           HA       GLU  24   3.150 -12.729  -1.532
  170    HB2  GLU  24           HB2      GLU  24   5.761 -14.085  -2.147
  171    HB3  GLU  24           HB1      GLU  24   4.485 -14.805  -1.180
  172    HG2  GLU  24           HG2      GLU  24   4.247 -13.955  -4.051
  173    HG3  GLU  24           HG1      GLU  24   4.443 -15.609  -3.468
  174    H    ASP  25           HN       ASP  25   5.821 -10.801  -1.041
  175    HA   ASP  25           HA       ASP  25   6.256 -11.740   1.693
  176    HB2  ASP  25           HB2      ASP  25   8.177 -10.960   0.124
  177    HB3  ASP  25           HB1      ASP  25   7.600  -9.331   0.465
  178    H    VAL  26           HN       VAL  26   4.526  -9.586  -0.115
  179    HA   VAL  26           HA       VAL  26   3.958  -7.627   1.888
  180    HB   VAL  26           HB       VAL  26   2.810  -8.207  -0.866
  181   HG11  VAL  26          HG11      VAL  26   1.602  -6.130  -0.692
  182   HG12  VAL  26          HG12      VAL  26   2.119  -5.936   1.000
  183   HG13  VAL  26          HG13      VAL  26   1.054  -7.278   0.530
  184   HG21  VAL  26          HG21      VAL  26   5.066  -7.267  -0.798
  185   HG22  VAL  26          HG22      VAL  26   4.478  -5.946   0.216
  186   HG23  VAL  26          HG23      VAL  26   3.903  -6.101  -1.442
  187    H    LYS  27           HN       LYS  27   3.342  -8.872   3.511
  188    HA   LYS  27           HA       LYS  27   0.805 -10.387   3.502
  189    HB2  LYS  27           HB2      LYS  27   2.888  -9.888   5.649
  190    HB3  LYS  27           HB1      LYS  27   1.570 -11.051   5.733
  191    HG2  LYS  27           HG2      LYS  27   2.532 -12.359   3.960
  192    HG3  LYS  27           HG1      LYS  27   3.779 -11.144   3.695
  193    HD2  LYS  27           HD2      LYS  27   4.652 -11.576   5.951
  194    HD3  LYS  27           HD1      LYS  27   3.406 -12.804   6.184
  195    HE2  LYS  27           HE2      LYS  27   4.291 -14.096   4.338
  196    HE3  LYS  27           HE1      LYS  27   5.499 -12.854   4.019
  197    HZ1  LYS  27           HZ1      LYS  27   5.331 -14.514   6.495
  198    HZ2  LYS  27           HZ2      LYS  27   6.453 -13.290   6.199
  199    HZ3  LYS  27           HZ3      LYS  27   6.441 -14.669   5.222
  200    H    LEU  28           HN       LEU  28   0.616  -9.457   6.474
  201    HA   LEU  28           HA       LEU  28  -0.233  -6.723   5.847
  202    HB2  LEU  28           HB2      LEU  28  -1.670  -8.760   7.464
  203    HB3  LEU  28           HB1      LEU  28  -1.863  -7.059   7.820
  204    HG   LEU  28           HG       LEU  28  -2.507  -6.814   5.363
  205   HD11  LEU  28          HD11      LEU  28  -3.526  -8.704   4.342
  206   HD12  LEU  28          HD12      LEU  28  -2.949  -9.770   5.637
  207   HD13  LEU  28          HD13      LEU  28  -1.799  -8.941   4.565
  208   HD21  LEU  28          HD21      LEU  28  -4.816  -7.361   5.869
  209   HD22  LEU  28          HD22      LEU  28  -3.981  -6.518   7.189
  210   HD23  LEU  28          HD23      LEU  28  -4.261  -8.258   7.296
  211    H    ASP  29           HN       ASP  29   1.728  -8.557   7.754
  212    HA   ASP  29           HA       ASP  29   1.839  -6.812  10.079
  213    HB2  ASP  29           HB2      ASP  29   2.178  -9.262  10.216
  214    HB3  ASP  29           HB1      ASP  29   3.595  -9.112   9.190
  215    H    LYS  30           HN       LYS  30   2.966  -6.804   7.048
  216    HA   LYS  30           HA       LYS  30   5.746  -6.088   7.417
  217    HB2  LYS  30           HB2      LYS  30   3.995  -6.224   4.986
  218    HB3  LYS  30           HB1      LYS  30   5.702  -5.830   4.946
  219    HG2  LYS  30           HG2      LYS  30   4.745  -8.367   6.202
  220    HG3  LYS  30           HG1      LYS  30   4.959  -8.238   4.456
  221    HD2  LYS  30           HD2      LYS  30   7.297  -7.616   4.778
  222    HD3  LYS  30           HD1      LYS  30   7.086  -7.702   6.531
  223    HE2  LYS  30           HE2      LYS  30   6.727 -10.035   6.465
  224    HE3  LYS  30           HE1      LYS  30   6.522 -10.023   4.716
  225    HZ1  LYS  30           HZ1      LYS  30   8.798  -9.508   4.437
  226    HZ2  LYS  30           HZ2      LYS  30   8.663 -10.893   5.385
  227    HZ3  LYS  30           HZ3      LYS  30   9.079  -9.409   6.116
  228    H    SER  31           HN       SER  31   6.456  -4.051   7.765
  229    HA   SER  31           HA       SER  31   4.753  -1.844   7.102
  230    HB2  SER  31           HB2      SER  31   7.570  -1.772   8.220
  231    HB3  SER  31           HB1      SER  31   6.237  -0.641   8.375
  232    HG   SER  31           HG       SER  31   6.523  -3.155   9.575
  233    H    PHE  32           HN       PHE  32   4.816  -1.405   4.965
  234    HA   PHE  32           HA       PHE  32   6.258  -2.020   2.877
  235    HB2  PHE  32           HB2      PHE  32   5.294   0.706   3.593
  236    HB3  PHE  32           HB1      PHE  32   6.106   0.416   2.066
  237    HD1  PHE  32           HD1      PHE  32   5.062  -1.232   0.475
  238    HD2  PHE  32           HD2      PHE  32   3.106   0.213   3.936
  239    HE1  PHE  32           HE1      PHE  32   2.919  -1.971  -0.447
  240    HE2  PHE  32           HE2      PHE  32   0.942  -0.505   3.026
  241    HZ   PHE  32           HZ       PHE  32   0.860  -1.505   0.700
  242    H    THR  33           HN       THR  33   7.328   1.182   3.888
  243    HA   THR  33           HA       THR  33   9.974   0.431   3.167
  244    HB   THR  33           HB       THR  33  10.151   2.954   4.275
  245    HG1  THR  33           HG1      THR  33   7.759   2.942   4.380
  246   HG21  THR  33          HG21      THR  33   9.554   2.048   1.468
  247   HG22  THR  33          HG22      THR  33  11.133   2.104   2.225
  248   HG23  THR  33          HG23      THR  33  10.250   3.607   1.914
  249    H    ASP  34           HN       ASP  34   9.950  -1.239   4.873
  250    HA   ASP  34           HA       ASP  34  11.973  -0.600   6.725
  251    HB2  ASP  34           HB2      ASP  34  10.070   0.378   8.000
  252    HB3  ASP  34           HB1      ASP  34   9.293  -1.200   8.003
  253    H    ASP  35           HN       ASP  35   9.208  -2.753   6.472
  254    HA   ASP  35           HA       ASP  35  10.802  -5.119   7.025
  255    HB2  ASP  35           HB2      ASP  35   7.891  -4.619   6.562
  256    HB3  ASP  35           HB1      ASP  35   8.447  -6.261   6.573
  257    H    LEU  36           HN       LEU  36   9.028  -3.713   4.350
  258    HA   LEU  36           HA       LEU  36   9.774  -5.874   2.562
  259    HB2  LEU  36           HB2      LEU  36   8.429  -3.232   2.001
  260    HB3  LEU  36           HB1      LEU  36   8.600  -4.534   0.847
  261    HG   LEU  36           HG       LEU  36   6.962  -4.632   3.383
  262   HD11  LEU  36          HD11      LEU  36   6.006  -3.159   1.706
  263   HD12  LEU  36          HD12      LEU  36   5.048  -4.631   1.863
  264   HD13  LEU  36          HD13      LEU  36   6.140  -4.431   0.491
  265   HD21  LEU  36          HD21      LEU  36   6.114  -6.747   2.502
  266   HD22  LEU  36          HD22      LEU  36   7.855  -6.822   2.769
  267   HD23  LEU  36          HD23      LEU  36   7.220  -6.627   1.134
  268    H    ASP  37           HN       ASP  37  10.352  -2.437   2.878
  269    HA   ASP  37           HA       ASP  37  12.067  -1.109   2.527
  270    HB2  ASP  37           HB2      ASP  37  13.764  -2.719   3.180
  271    HB3  ASP  37           HB1      ASP  37  13.664  -3.514   1.608
  272    H    VAL  38           HN       VAL  38  11.097   0.076   1.270
  273    HA   VAL  38           HA       VAL  38  11.031  -0.563  -1.586
  274    HB   VAL  38           HB       VAL  38   9.285   1.349   0.027
  275   HG11  VAL  38          HG11      VAL  38   9.020   0.544  -2.871
  276   HG12  VAL  38          HG12      VAL  38   9.499   2.131  -2.275
  277   HG13  VAL  38          HG13      VAL  38   7.874   1.524  -1.958
  278   HG21  VAL  38          HG21      VAL  38   8.827  -0.969   0.568
  279   HG22  VAL  38          HG22      VAL  38   8.635  -1.353  -1.143
  280   HG23  VAL  38          HG23      VAL  38   7.490  -0.269  -0.348
  281    H    ASP  39           HN       ASP  39  10.541   2.677  -0.334
  282    HA   ASP  39           HA       ASP  39  12.994   3.891  -0.459
  283    HB2  ASP  39           HB2      ASP  39  12.635   3.117  -3.019
  284    HB3  ASP  39           HB1      ASP  39  11.378   4.360  -2.909
  285    H    SER  40           HN       SER  40  12.211   6.302  -1.198
  286    HA   SER  40           HA       SER  40   9.826   6.754   0.448
  287    HB2  SER  40           HB2      SER  40  11.789   8.080   1.068
  288    HB3  SER  40           HB1      SER  40  11.894   8.718  -0.581
  289    H    LEU  41           HN       LEU  41  11.267   7.364  -2.653
  290    HA   LEU  41           HA       LEU  41   9.030   8.921  -3.550
  291    HB2  LEU  41           HB2      LEU  41  11.361   7.849  -5.131
  292    HB3  LEU  41           HB1      LEU  41  10.228   9.085  -5.652
  293    HG   LEU  41           HG       LEU  41  12.271   9.303  -3.452
  294   HD11  LEU  41          HD11      LEU  41  13.208   9.506  -5.650
  295   HD12  LEU  41          HD12      LEU  41  13.216  11.070  -4.834
  296   HD13  LEU  41          HD13      LEU  41  12.014  10.730  -6.078
  297   HD21  LEU  41          HD21      LEU  41  11.511  11.640  -3.176
  298   HD22  LEU  41          HD22      LEU  41  10.282  10.476  -2.724
  299   HD23  LEU  41          HD23      LEU  41  10.165  11.320  -4.274
  300    H    SER  42           HN       SER  42  10.222   5.662  -3.882
  301    HA   SER  42           HA       SER  42   8.348   4.825  -5.813
  302    HB2  SER  42           HB2      SER  42   9.838   3.221  -3.732
  303    HB3  SER  42           HB1      SER  42   9.173   2.611  -5.244
  304    HG   SER  42           HG       SER  42  10.696   3.605  -6.364
  305    H    MET  43           HN       MET  43   8.344   5.318  -2.387
  306    HA   MET  43           HA       MET  43   6.255   3.601  -1.608
  307    HB2  MET  43           HB2      MET  43   7.817   4.632  -0.050
  308    HB3  MET  43           HB1      MET  43   7.133   6.215  -0.404
  309    HG2  MET  43           HG2      MET  43   6.337   5.168   1.687
  310    HG3  MET  43           HG1      MET  43   5.071   5.632   0.539
  311    HE1  MET  43           HE1      MET  43   6.626   1.321   0.702
  312    HE2  MET  43           HE2      MET  43   7.270   2.573   1.768
  313    HE3  MET  43           HE3      MET  43   7.453   2.724   0.023
  314    H    VAL  44           HN       VAL  44   6.346   7.017  -2.518
  315    HA   VAL  44           HA       VAL  44   3.594   7.406  -2.115
  316    HB   VAL  44           HB       VAL  44   5.505   9.154  -3.689
  317   HG11  VAL  44          HG11      VAL  44   2.911   9.813  -2.298
  318   HG12  VAL  44          HG12      VAL  44   3.160   9.723  -4.040
  319   HG13  VAL  44          HG13      VAL  44   3.975  10.971  -3.095
  320   HG21  VAL  44          HG21      VAL  44   6.398   8.716  -1.483
  321   HG22  VAL  44          HG22      VAL  44   4.874   9.147  -0.729
  322   HG23  VAL  44          HG23      VAL  44   5.825  10.381  -1.566
  323    H    GLU  45           HN       GLU  45   5.471   6.220  -4.783
  324    HA   GLU  45           HA       GLU  45   3.554   6.623  -6.809
  325    HB2  GLU  45           HB2      GLU  45   5.799   4.647  -6.465
  326    HB3  GLU  45           HB1      GLU  45   4.834   4.777  -7.929
  327    HG2  GLU  45           HG2      GLU  45   6.404   7.030  -6.742
  328    HG3  GLU  45           HG1      GLU  45   7.026   5.952  -7.999
  329    H    VAL  46           HN       VAL  46   4.243   4.072  -4.480
  330    HA   VAL  46           HA       VAL  46   2.324   2.187  -5.321
  331    HB   VAL  46           HB       VAL  46   3.362   2.708  -2.500
  332   HG11  VAL  46          HG11      VAL  46   1.963   0.266  -3.604
  333   HG12  VAL  46          HG12      VAL  46   1.289   1.413  -2.445
  334   HG13  VAL  46          HG13      VAL  46   2.669   0.408  -1.993
  335   HG21  VAL  46          HG21      VAL  46   5.146   2.165  -4.064
  336   HG22  VAL  46          HG22      VAL  46   4.271   0.727  -4.586
  337   HG23  VAL  46          HG23      VAL  46   4.884   0.836  -2.935
  338    H    VAL  47           HN       VAL  47   2.176   4.831  -3.028
  339    HA   VAL  47           HA       VAL  47  -0.453   4.671  -2.130
  340    HB   VAL  47           HB       VAL  47   1.068   7.209  -2.809
  341   HG11  VAL  47          HG11      VAL  47  -1.128   6.715  -0.814
  342   HG12  VAL  47          HG12      VAL  47  -1.272   7.612  -2.325
  343   HG13  VAL  47          HG13      VAL  47  -0.253   8.230  -1.027
  344   HG21  VAL  47          HG21      VAL  47   1.877   7.156  -0.497
  345   HG22  VAL  47          HG22      VAL  47   2.430   5.758  -1.419
  346   HG23  VAL  47          HG23      VAL  47   1.104   5.587  -0.270
  347    H    VAL  48           HN       VAL  48   0.684   6.862  -4.699
  348    HA   VAL  48           HA       VAL  48  -1.689   7.576  -5.897
  349    HB   VAL  48           HB       VAL  48   0.925   7.029  -7.351
  350   HG11  VAL  48          HG11      VAL  48   0.122   8.634  -9.020
  351   HG12  VAL  48          HG12      VAL  48  -1.415   8.753  -8.166
  352   HG13  VAL  48          HG13      VAL  48  -0.940   7.230  -8.915
  353   HG21  VAL  48          HG21      VAL  48   1.191   8.594  -5.515
  354   HG22  VAL  48          HG22      VAL  48  -0.153   9.560  -6.128
  355   HG23  VAL  48          HG23      VAL  48   1.337   9.420  -7.066
  356    H    ALA  49           HN       ALA  49   0.274   4.733  -6.868
  357    HA   ALA  49           HA       ALA  49  -1.501   3.864  -8.865
  358    HB1  ALA  49           HB1      ALA  49   0.483   2.196  -7.328
  359    HB2  ALA  49           HB2      ALA  49   0.849   3.166  -8.756
  360    HB3  ALA  49           HB3      ALA  49  -0.246   1.791  -8.883
  361    H    ALA  50           HN       ALA  50  -1.415   3.166  -5.412
  362    HA   ALA  50           HA       ALA  50  -3.238   1.019  -5.412
  363    HB1  ALA  50           HB1      ALA  50  -1.849   1.590  -3.476
  364    HB2  ALA  50           HB2      ALA  50  -3.559   1.496  -3.054
  365    HB3  ALA  50           HB3      ALA  50  -2.784   3.068  -3.249
  366    H    GLU  51           HN       GLU  51  -3.701   4.494  -5.369
  367    HA   GLU  51           HA       GLU  51  -6.449   4.580  -4.883
  368    HB2  GLU  51           HB2      GLU  51  -4.830   6.329  -6.714
  369    HB3  GLU  51           HB1      GLU  51  -6.376   6.722  -5.982
  370    HG2  GLU  51           HG2      GLU  51  -5.349   6.671  -3.783
  371    HG3  GLU  51           HG1      GLU  51  -3.799   6.265  -4.529
  372    H    GLU  52           HN       GLU  52  -4.603   4.369  -7.835
  373    HA   GLU  52           HA       GLU  52  -6.720   4.289  -9.702
  374    HB2  GLU  52           HB2      GLU  52  -4.429   4.873 -10.288
  375    HB3  GLU  52           HB1      GLU  52  -3.876   3.278  -9.823
  376    HG2  GLU  52           HG2      GLU  52  -5.174   2.316 -11.671
  377    HG3  GLU  52           HG1      GLU  52  -5.673   3.941 -12.145
  378    H    ARG  53           HN       ARG  53  -5.004   1.839  -7.904
  379    HA   ARG  53           HA       ARG  53  -5.953  -0.410  -9.375
  380    HB2  ARG  53           HB2      ARG  53  -3.799  -0.452  -8.286
  381    HB3  ARG  53           HB1      ARG  53  -4.537  -0.145  -6.727
  382    HG2  ARG  53           HG2      ARG  53  -3.842  -2.461  -6.959
  383    HG3  ARG  53           HG1      ARG  53  -5.593  -2.337  -6.779
  384    HD2  ARG  53           HD2      ARG  53  -5.850  -2.584  -9.193
  385    HD3  ARG  53           HD1      ARG  53  -4.095  -2.690  -9.363
  386    HE   ARG  53           HE       ARG  53  -4.128  -4.798  -8.350
  387   HH11  ARG  53          HH11      ARG  53  -7.443  -3.537  -8.655
  388   HH12  ARG  53          HH12      ARG  53  -8.141  -5.078  -8.613
  389   HH21  ARG  53          HH21      ARG  53  -5.053  -6.783  -8.264
  390   HH22  ARG  53          HH22      ARG  53  -6.754  -7.034  -8.369
  391    H    PHE  54           HN       PHE  54  -6.893   1.233  -6.451
  392    HA   PHE  54           HA       PHE  54  -8.917  -0.826  -6.015
  393    HB2  PHE  54           HB2      PHE  54  -7.793   1.210  -4.122
  394    HB3  PHE  54           HB1      PHE  54  -9.042   0.034  -3.734
  395    HD1  PHE  54           HD1      PHE  54  -8.197  -2.434  -4.784
  396    HD2  PHE  54           HD2      PHE  54  -5.800   0.671  -3.134
  397    HE1  PHE  54           HE1      PHE  54  -6.457  -4.072  -4.223
  398    HE2  PHE  54           HE2      PHE  54  -4.090  -0.979  -2.549
  399    HZ   PHE  54           HZ       PHE  54  -4.385  -3.306  -3.137
  400    H    ASP  55           HN       ASP  55  -8.732   2.044  -7.486
  401    HA   ASP  55           HA       ASP  55 -10.246   3.533  -8.274
  402    HB2  ASP  55           HB2      ASP  55 -11.680   1.390  -8.446
  403    HB3  ASP  55           HB1      ASP  55 -12.387   1.872  -6.929
  404    H    VAL  56           HN       VAL  56  -9.089   3.664  -5.591
  405    HA   VAL  56           HA       VAL  56 -11.085   5.306  -4.186
  406    HB   VAL  56           HB       VAL  56  -9.752   4.954  -2.090
  407   HG11  VAL  56          HG11      VAL  56 -10.667   2.409  -3.391
  408   HG12  VAL  56          HG12      VAL  56 -11.673   3.571  -2.512
  409   HG13  VAL  56          HG13      VAL  56 -10.403   2.688  -1.664
  410   HG21  VAL  56          HG21      VAL  56  -7.578   4.493  -3.105
  411   HG22  VAL  56          HG22      VAL  56  -8.199   2.984  -3.769
  412   HG23  VAL  56          HG23      VAL  56  -8.058   3.186  -2.023
  413    H    LYS  57           HN       LYS  57  -9.634   6.771  -2.510
  414    HA   LYS  57           HA       LYS  57  -7.525   8.084  -3.997
  415    HB2  LYS  57           HB2      LYS  57  -9.870   9.403  -2.613
  416    HB3  LYS  57           HB1      LYS  57  -8.397  10.274  -2.990
  417    HG2  LYS  57           HG2      LYS  57 -10.284   8.976  -4.958
  418    HG3  LYS  57           HG1      LYS  57 -10.083  10.707  -4.672
  419    HD2  LYS  57           HD2      LYS  57  -7.907   8.860  -5.680
  420    HD3  LYS  57           HD1      LYS  57  -8.904   9.889  -6.700
  421    HE2  LYS  57           HE2      LYS  57  -7.963  11.867  -5.800
  422    HE3  LYS  57           HE1      LYS  57  -7.233  11.002  -4.451
  423    HZ1  LYS  57           HZ1      LYS  57  -5.679  11.636  -6.329
  424    HZ2  LYS  57           HZ2      LYS  57  -6.449  10.432  -7.249
  425    HZ3  LYS  57           HZ3      LYS  57  -5.680  10.041  -5.793
  426    H    ILE  58           HN       ILE  58  -5.796   8.324  -2.859
  427    HA   ILE  58           HA       ILE  58  -5.907   8.209   0.064
  428    HB   ILE  58           HB       ILE  58  -3.902   6.589  -1.564
  429   HG12  ILE  58          HG12      ILE  58  -6.275   5.504  -0.023
  430   HG13  ILE  58          HG11      ILE  58  -6.225   5.659  -1.775
  431   HG21  ILE  58          HG21      ILE  58  -3.370   5.562   0.618
  432   HG22  ILE  58          HG22      ILE  58  -4.562   6.597   1.391
  433   HG23  ILE  58          HG23      ILE  58  -3.129   7.310   0.652
  434   HD11  ILE  58          HD11      ILE  58  -4.362   4.098  -1.859
  435   HD12  ILE  58          HD12      ILE  58  -5.767   3.386  -1.064
  436   HD13  ILE  58          HD13      ILE  58  -4.401   3.954  -0.103
  437    HA   PRO  59           HA       PRO  59  -3.277  11.587  -1.432
  438    HB2  PRO  59           HB2      PRO  59  -3.495  13.106   0.810
  439    HB3  PRO  59           HB1      PRO  59  -4.739  13.064  -0.444
  440    HG2  PRO  59           HG2      PRO  59  -4.644  11.640   2.181
  441    HG3  PRO  59           HG1      PRO  59  -6.010  12.451   1.395
  442    HD2  PRO  59           HD2      PRO  59  -5.647   9.759   1.355
  443    HD3  PRO  59           HD1      PRO  59  -6.467  10.647   0.055
  444    H    ASP  60           HN       ASP  60  -1.085  11.743  -1.243
  445    HA   ASP  60           HA       ASP  60   0.504  10.186   0.363
  446    HB2  ASP  60           HB2      ASP  60   2.382  11.463  -0.412
  447    HB3  ASP  60           HB1      ASP  60   1.231  11.360  -1.732
  448    H    ASP  61           HN       ASP  61  -1.084  13.054   1.187
  449    HA   ASP  61           HA       ASP  61   0.507  13.844   3.421
  450    HB2  ASP  61           HB2      ASP  61  -0.978  15.436   2.372
  451    HB3  ASP  61           HB1      ASP  61  -2.368  14.411   2.697
  452    H    ASP  62           HN       ASP  62  -2.438  11.872   3.084
  453    HA   ASP  62           HA       ASP  62  -2.582  11.451   5.976
  454    HB2  ASP  62           HB2      ASP  62  -4.615  11.874   4.522
  455    HB3  ASP  62           HB1      ASP  62  -4.325  10.299   3.797
  456    H    VAL  63           HN       VAL  63  -1.654   9.813   3.127
  457    HA   VAL  63           HA       VAL  63  -1.738   7.170   3.928
  458    HB   VAL  63           HB       VAL  63  -1.232   8.150   1.618
  459   HG11  VAL  63          HG11      VAL  63   1.590   8.058   2.639
  460   HG12  VAL  63          HG12      VAL  63   0.688   9.489   2.136
  461   HG13  VAL  63          HG13      VAL  63   1.111   8.250   0.952
  462   HG21  VAL  63          HG21      VAL  63   0.288   5.771   2.607
  463   HG22  VAL  63          HG22      VAL  63  -0.012   6.164   0.914
  464   HG23  VAL  63          HG23      VAL  63  -1.367   5.811   1.992
  465    H    LYS  64           HN       LYS  64   0.359   9.626   4.930
  466    HA   LYS  64           HA       LYS  64   2.625   8.236   5.606
  467    HB2  LYS  64           HB2      LYS  64   1.507  10.715   6.890
  468    HB3  LYS  64           HB1      LYS  64   3.163  10.145   7.049
  469    HG2  LYS  64           HG2      LYS  64   3.450  10.397   4.599
  470    HG3  LYS  64           HG1      LYS  64   1.825  11.049   4.486
  471    HD2  LYS  64           HD2      LYS  64   2.464  12.862   6.033
  472    HD3  LYS  64           HD1      LYS  64   4.107  12.220   6.073
  473    HE2  LYS  64           HE2      LYS  64   2.660  13.230   3.624
  474    HE3  LYS  64           HE1      LYS  64   3.898  14.107   4.518
  475    HZ1  LYS  64           HZ1      LYS  64   4.293  11.542   3.053
  476    HZ2  LYS  64           HZ2      LYS  64   5.473  12.345   3.936
  477    HZ3  LYS  64           HZ3      LYS  64   4.793  13.071   2.554
  478    H    ASN  65           HN       ASN  65  -0.443   8.160   7.073
  479    HA   ASN  65           HA       ASN  65   0.537   7.297   9.688
  480    HB2  ASN  65           HB2      ASN  65  -2.298   7.616   8.678
  481    HB3  ASN  65           HB1      ASN  65  -1.854   7.152  10.312
  482   HD21  ASN  65          HD21      ASN  65  -2.076   9.716   8.020
  483   HD22  ASN  65          HD22      ASN  65  -1.799  11.008   9.139
  484    H    LEU  66           HN       LEU  66  -0.006   5.860   6.735
  485    HA   LEU  66           HA       LEU  66  -1.346   3.513   7.709
  486    HB2  LEU  66           HB2      LEU  66   0.005   3.941   5.038
  487    HB3  LEU  66           HB1      LEU  66  -1.029   2.588   5.456
  488    HG   LEU  66           HG       LEU  66  -1.870   5.472   5.143
  489   HD11  LEU  66          HD11      LEU  66  -3.243   4.600   3.329
  490   HD12  LEU  66          HD12      LEU  66  -2.540   3.002   3.578
  491   HD13  LEU  66          HD13      LEU  66  -1.524   4.340   3.047
  492   HD21  LEU  66          HD21      LEU  66  -3.490   3.076   5.937
  493   HD22  LEU  66          HD22      LEU  66  -4.148   4.644   5.514
  494   HD23  LEU  66          HD23      LEU  66  -3.123   4.469   6.953
  495    H    LYS  67           HN       LYS  67   1.770   3.688   5.980
  496    HA   LYS  67           HA       LYS  67   3.848   2.968   6.479
  497    HB2  LYS  67           HB2      LYS  67   2.697   2.271   9.166
  498    HB3  LYS  67           HB1      LYS  67   4.377   2.015   8.732
  499    HG2  LYS  67           HG2      LYS  67   4.757   4.344   8.536
  500    HG3  LYS  67           HG1      LYS  67   3.027   4.692   8.658
  501    HD2  LYS  67           HD2      LYS  67   4.495   3.212  10.760
  502    HD3  LYS  67           HD1      LYS  67   4.451   4.994  10.790
  503    HE2  LYS  67           HE2      LYS  67   1.945   4.804  10.751
  504    HE3  LYS  67           HE1      LYS  67   2.124   3.055  10.878
  505    HZ1  LYS  67           HZ1      LYS  67   3.039   5.038  12.905
  506    HZ2  LYS  67           HZ2      LYS  67   3.218   3.370  13.017
  507    HZ3  LYS  67           HZ3      LYS  67   1.670   4.063  13.003
  508    H    THR  68           HN       THR  68   1.362   0.749   7.558
  509    HA   THR  68           HA       THR  68   3.060  -1.403   6.572
  510    HB   THR  68           HB       THR  68   1.591  -2.963   7.796
  511    HG1  THR  68           HG1      THR  68   0.232  -2.038   9.434
  512   HG21  THR  68          HG21      THR  68   2.907  -0.816   9.435
  513   HG22  THR  68          HG22      THR  68   3.648  -2.251   8.696
  514   HG23  THR  68          HG23      THR  68   2.469  -2.448   9.997
  515    H    VAL  69           HN       VAL  69   2.117  -3.119   5.569
  516    HA   VAL  69           HA       VAL  69   0.426  -2.468   3.429
  517    HB   VAL  69           HB       VAL  69   0.367  -5.034   3.214
  518   HG11  VAL  69          HG11      VAL  69   3.044  -3.609   3.336
  519   HG12  VAL  69          HG12      VAL  69   1.949  -3.579   1.954
  520   HG13  VAL  69          HG13      VAL  69   2.722  -5.089   2.431
  521   HG21  VAL  69          HG21      VAL  69   2.395  -4.727   5.388
  522   HG22  VAL  69          HG22      VAL  69   2.084  -6.201   4.467
  523   HG23  VAL  69          HG23      VAL  69   0.831  -5.530   5.513
  524    H    GLY  70           HN       GLY  70  -0.127  -3.831   6.595
  525    HA2  GLY  70           HA2      GLY  70  -2.804  -4.673   6.092
  526    HA3  GLY  70           HA1      GLY  70  -2.032  -4.532   7.666
  527    H    ASP  71           HN       ASP  71  -1.294  -1.800   7.530
  528    HA   ASP  71           HA       ASP  71  -3.795  -0.669   8.312
  529    HB2  ASP  71           HB2      ASP  71  -1.487  -0.149   9.302
  530    HB3  ASP  71           HB1      ASP  71  -1.237   0.854   7.883
  531    H    ALA  72           HN       ALA  72  -1.658  -0.392   5.522
  532    HA   ALA  72           HA       ALA  72  -2.903   1.671   4.149
  533    HB1  ALA  72           HB1      ALA  72  -1.999   0.653   2.105
  534    HB2  ALA  72           HB2      ALA  72  -1.690  -0.844   2.983
  535    HB3  ALA  72           HB3      ALA  72  -0.806   0.622   3.405
  536    H    THR  73           HN       THR  73  -3.495  -1.859   3.636
  537    HA   THR  73           HA       THR  73  -5.768  -1.893   2.300
  538    HB   THR  73           HB       THR  73  -4.939  -3.519   4.679
  539    HG1  THR  73           HG1      THR  73  -3.412  -3.940   3.257
  540   HG21  THR  73          HG21      THR  73  -6.357  -5.279   3.698
  541   HG22  THR  73          HG22      THR  73  -6.877  -4.137   2.450
  542   HG23  THR  73          HG23      THR  73  -7.308  -3.853   4.129
  543    H    LYS  74           HN       LYS  74  -5.567  -1.523   5.887
  544    HA   LYS  74           HA       LYS  74  -8.266  -1.499   6.432
  545    HB2  LYS  74           HB2      LYS  74  -6.582  -1.791   8.127
  546    HB3  LYS  74           HB1      LYS  74  -5.938  -0.190   7.827
  547    HG2  LYS  74           HG2      LYS  74  -7.792   0.849   8.851
  548    HG3  LYS  74           HG1      LYS  74  -8.718  -0.655   8.858
  549    HD2  LYS  74           HD2      LYS  74  -7.828  -0.196  11.096
  550    HD3  LYS  74           HD1      LYS  74  -7.121  -1.645  10.370
  551    HE2  LYS  74           HE2      LYS  74  -5.401  -0.362  11.515
  552    HE3  LYS  74           HE1      LYS  74  -5.113  -0.393   9.781
  553    HZ1  LYS  74           HZ1      LYS  74  -4.710   1.748  10.721
  554    HZ2  LYS  74           HZ2      LYS  74  -6.319   1.861  11.295
  555    HZ3  LYS  74           HZ3      LYS  74  -6.002   1.871   9.636
  556    H    TYR  75           HN       TYR  75  -6.208   1.144   5.308
  557    HA   TYR  75           HA       TYR  75  -8.157   3.186   5.751
  558    HB2  TYR  75           HB2      TYR  75  -5.751   3.684   5.586
  559    HB3  TYR  75           HB1      TYR  75  -5.748   3.113   3.925
  560    HD1  TYR  75           HD1      TYR  75  -6.853   5.806   6.174
  561    HD2  TYR  75           HD2      TYR  75  -6.537   4.522   2.132
  562    HE1  TYR  75           HE1      TYR  75  -7.334   8.097   5.404
  563    HE2  TYR  75           HE2      TYR  75  -7.032   6.797   1.363
  564    HH   TYR  75           HH       TYR  75  -7.014   9.461   3.517
  565    H    ILE  76           HN       ILE  76  -7.136   1.148   3.112
  566    HA   ILE  76           HA       ILE  76  -8.782   2.336   1.111
  567    HB   ILE  76           HB       ILE  76  -7.524  -0.426   1.225
  568   HG12  ILE  76          HG12      ILE  76  -6.455   2.094  -0.051
  569   HG13  ILE  76          HG11      ILE  76  -5.973   1.531   1.540
  570   HG21  ILE  76          HG21      ILE  76  -7.680  -0.329  -1.230
  571   HG22  ILE  76          HG22      ILE  76  -8.483   1.235  -1.120
  572   HG23  ILE  76          HG23      ILE  76  -9.275  -0.210  -0.490
  573   HD11  ILE  76          HD11      ILE  76  -4.341   0.946  -0.152
  574   HD12  ILE  76          HD12      ILE  76  -5.573   0.065  -1.054
  575   HD13  ILE  76          HD13      ILE  76  -5.071  -0.500   0.541
  576    H    LEU  77           HN       LEU  77  -9.075  -0.487   3.154
  577    HA   LEU  77           HA       LEU  77 -11.527  -1.504   2.357
  578    HB2  LEU  77           HB2      LEU  77 -10.065  -2.609   3.948
  579    HB3  LEU  77           HB1      LEU  77 -10.285  -1.314   5.103
  580    HG   LEU  77           HG       LEU  77 -12.676  -1.978   5.306
  581   HD11  LEU  77          HD11      LEU  77 -11.837  -4.316   3.632
  582   HD12  LEU  77          HD12      LEU  77 -12.970  -3.044   3.170
  583   HD13  LEU  77          HD13      LEU  77 -13.370  -4.148   4.486
  584   HD21  LEU  77          HD21      LEU  77 -12.251  -3.972   6.637
  585   HD22  LEU  77          HD22      LEU  77 -11.025  -2.734   6.912
  586   HD23  LEU  77          HD23      LEU  77 -10.660  -4.127   5.894
  587    H    ASP  78           HN       ASP  78 -10.764   1.230   4.316
  588    HA   ASP  78           HA       ASP  78 -13.530   1.686   5.145
  589    HB2  ASP  78           HB2      ASP  78 -11.763   2.116   6.778
  590    HB3  ASP  78           HB1      ASP  78 -11.005   3.260   5.682
  591    H    HIS  79           HN       HIS  79 -11.113   3.095   3.068
  592    HA   HIS  79           HA       HIS  79 -12.732   5.388   2.418
  593    HB2  HIS  79           HB2      HIS  79 -10.041   4.973   2.594
  594    HB3  HIS  79           HB1      HIS  79 -10.315   5.014   0.854
  595    HD1  HIS  79           HD1      HIS  79 -11.139   7.267  -0.159
  596    HD2  HIS  79           HD2      HIS  79 -10.541   7.278   3.928
  597    HE1  HIS  79           HE1      HIS  79 -11.064   9.688   0.467
  598    HE2  HIS  79           HE2      HIS  79 -10.650   9.707   2.950
  599    H    GLN  80           HN       GLN  80 -12.839   2.354   1.331
  600    HA   GLN  80           HA       GLN  80 -12.913   2.149  -1.348
  601    HB2  GLN  80           HB2      GLN  80 -14.934   1.382   0.669
  602    HB3  GLN  80           HB1      GLN  80 -15.119   0.834  -1.015
  603    HG2  GLN  80           HG2      GLN  80 -12.962   0.215   0.996
  604    HG3  GLN  80           HG1      GLN  80 -14.178  -0.892   0.370
  605   HE21  GLN  80          HE21      GLN  80 -11.307  -1.042   0.367
  606   HE22  GLN  80          HE22      GLN  80 -10.798  -1.222  -1.265
  607    H    ALA  81           HN       ALA  81 -13.871   3.095  -3.057
  608    HA   ALA  81           HA       ALA  81 -15.153   5.558  -2.791
  609    HB1  ALA  81           HB1      ALA  81 -15.371   5.500  -5.203
  610    HB2  ALA  81           HB2      ALA  81 -14.997   3.775  -5.210
  611    HB3  ALA  81           HB3      ALA  81 -13.772   4.941  -4.710
  612    H2   SHW 101           H2A      SHW 101   2.244   5.795   2.884
  613    H2A  SHW 101           H2B      SHW 101   3.321   4.766   1.965
  614    H3   SHW 101           H3A      SHW 101   1.992   4.007   4.579
  615    HO3  SHW 101           HO3      SHW 101   4.096   2.935   3.153
  616    H4   SHW 101           H4A      SHW 101   0.464   3.950   2.686
  617    H4A  SHW 101           H4B      SHW 101   0.850   2.317   3.207
  618    H5   SHW 101           H5A      SHW 101   2.483   2.151   1.349
  619    H5A  SHW 101           H5B      SHW 101   1.962   3.741   0.793
  620    H6   SHW 101           H6A      SHW 101   0.199   1.305   1.053
  621    H6A  SHW 101           H6B      SHW 101   0.849   1.951  -0.455
  622    H7   SHW 101           H7A      SHW 101  -0.410   3.994  -0.183
  623    H7A  SHW 101           H7B      SHW 101  -0.990   3.452   1.404
  624    H8   SHW 101           H8C      SHW 101  -1.513   2.108  -1.237
  625    H8A  SHW 101           H8A      SHW 101  -2.659   3.096  -0.333
  626    H8B  SHW 101           H8B      SHW 101  -2.097   1.567   0.339
  627    H28  SHW 101          H28A      SHW 101  10.269  10.137   3.738
  628   H28A  SHW 101          H28B      SHW 101  10.774   8.639   2.974
  629    H30  SHW 101          H30A      SHW 101  13.022   7.652   3.494
  630   H30A  SHW 101          H30B      SHW 101  14.034   8.379   4.740
  631   H30B  SHW 101          H30C      SHW 101  13.797   9.209   3.200
  632    H31  SHW 101          H31A      SHW 101  13.246  10.416   5.961
  633   H31A  SHW 101          H31B      SHW 101  11.686  11.132   5.557
  634   H31B  SHW 101          H31C      SHW 101  13.027  11.240   4.417
  635    H32  SHW 101          H32A      SHW 101  12.120   8.160   6.420
  636   HO33  SHW 101          H33A      SHW 101   9.849   8.499   6.818
  637   HN36  SHW 101          H36A      SHW 101  10.199   6.805   6.947
  638    H37  SHW 101          H37A      SHW 101   9.037   5.069   4.948
  639   H37A  SHW 101          H37B      SHW 101  10.421   4.352   5.743
  640    H38  SHW 101          H38A      SHW 101   8.530   3.579   6.860
  641   H38A  SHW 101          H38B      SHW 101   9.315   4.736   7.959
  642   HN41  SHW 101          H41A      SHW 101   7.657   6.183   5.359
  643    H42  SHW 101          H42A      SHW 101   5.050   6.043   6.012
  644   H42A  SHW 101          H42B      SHW 101   5.678   7.477   6.880
  645    H43  SHW 101          H43A      SHW 101   6.343   6.964   4.018
  646   H43A  SHW 101          H43B      SHW 101   5.960   8.563   4.741
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1 -16.668  -1.347  -0.557
    2    H2   ALA   1           HT2      ALA   1 -17.504  -0.808   0.791
    3    H3   ALA   1           HT3      ALA   1 -17.946  -2.253  -0.002
    4    HA   ALA   1           HA       ALA   1 -15.354  -1.778   1.348
    5    HB1  ALA   1           HB1      ALA   1 -16.077  -3.497   2.946
    6    HB2  ALA   1           HB2      ALA   1 -17.642  -3.590   2.137
    7    HB3  ALA   1           HB3      ALA   1 -17.168  -2.109   2.968
    8    H    ALA   2           HN       ALA   2 -13.916  -3.680   1.229
    9    HA   ALA   2           HA       ALA   2 -14.595  -5.376  -1.046
   10    HB1  ALA   2           HB1      ALA   2 -13.045  -3.625  -1.770
   11    HB2  ALA   2           HB2      ALA   2 -12.228  -5.189  -1.720
   12    HB3  ALA   2           HB3      ALA   2 -11.965  -4.017  -0.428
   13    H    THR   3           HN       THR   3 -12.503  -7.089  -0.949
   14    HA   THR   3           HA       THR   3 -12.643  -8.070   1.775
   15    HB   THR   3           HB       THR   3 -11.717  -9.469  -0.761
   16    HG1  THR   3           HG1      THR   3 -13.805  -9.567  -1.090
   17   HG21  THR   3          HG21      THR   3 -12.395 -10.425   1.991
   18   HG22  THR   3          HG22      THR   3 -10.771 -10.295   1.321
   19   HG23  THR   3          HG23      THR   3 -11.922 -11.476   0.645
   20    H    GLN   4           HN       GLN   4 -10.972  -7.696   2.977
   21    HA   GLN   4           HA       GLN   4  -8.797  -6.126   2.507
   22    HB2  GLN   4           HB2      GLN   4  -8.955  -8.454   4.395
   23    HB3  GLN   4           HB1      GLN   4  -7.733  -7.194   4.437
   24    HG2  GLN   4           HG2      GLN   4  -9.469  -5.523   4.883
   25    HG3  GLN   4           HG1      GLN   4 -10.677  -6.783   4.771
   26   HE21  GLN   4          HE21      GLN   4  -7.650  -7.601   6.270
   27   HE22  GLN   4          HE22      GLN   4  -8.253  -7.655   7.878
   28    H    GLU   5           HN       GLU   5  -9.010  -9.526   2.004
   29    HA   GLU   5           HA       GLU   5  -6.273 -10.219   1.639
   30    HB2  GLU   5           HB2      GLU   5  -8.706 -11.523   0.431
   31    HB3  GLU   5           HB1      GLU   5  -7.123 -12.255   0.660
   32    HG2  GLU   5           HG2      GLU   5  -7.371 -12.139   3.051
   33    HG3  GLU   5           HG1      GLU   5  -8.910 -11.298   2.874
   34    H    GLU   6           HN       GLU   6  -8.744  -9.025  -0.516
   35    HA   GLU   6           HA       GLU   6  -7.192  -9.423  -2.870
   36    HB2  GLU   6           HB2      GLU   6  -9.611  -9.605  -2.945
   37    HB3  GLU   6           HB1      GLU   6  -9.771  -7.948  -2.393
   38    HG2  GLU   6           HG2      GLU   6  -8.777  -7.137  -4.437
   39    HG3  GLU   6           HG1      GLU   6  -8.511  -8.791  -4.986
   40    H    ILE   7           HN       ILE   7  -7.862  -6.937  -0.589
   41    HA   ILE   7           HA       ILE   7  -6.871  -4.739  -2.069
   42    HB   ILE   7           HB       ILE   7  -6.956  -5.114   0.926
   43   HG12  ILE   7          HG12      ILE   7  -9.149  -4.231  -0.982
   44   HG13  ILE   7          HG11      ILE   7  -9.119  -5.623   0.055
   45   HG21  ILE   7          HG21      ILE   7  -5.663  -3.174   0.174
   46   HG22  ILE   7          HG22      ILE   7  -7.158  -2.643   0.947
   47   HG23  ILE   7          HG23      ILE   7  -7.021  -2.632  -0.810
   48   HD11  ILE   7          HD11      ILE   7 -10.569  -3.886   0.946
   49   HD12  ILE   7          HD12      ILE   7  -9.192  -2.790   1.055
   50   HD13  ILE   7          HD13      ILE   7  -9.235  -4.256   2.038
   51    H    VAL   8           HN       VAL   8  -5.503  -6.697   0.575
   52    HA   VAL   8           HA       VAL   8  -2.892  -5.776   0.404
   53    HB   VAL   8           HB       VAL   8  -3.893  -8.523   1.272
   54   HG11  VAL   8          HG11      VAL   8  -1.549  -8.642   0.689
   55   HG12  VAL   8          HG12      VAL   8  -1.784  -8.773   2.437
   56   HG13  VAL   8          HG13      VAL   8  -1.200  -7.258   1.730
   57   HG21  VAL   8          HG21      VAL   8  -3.665  -7.594   3.510
   58   HG22  VAL   8          HG22      VAL   8  -4.779  -6.635   2.528
   59   HG23  VAL   8          HG23      VAL   8  -3.149  -6.058   2.814
   60    H    ALA   9           HN       ALA   9  -4.560  -8.185  -1.515
   61    HA   ALA   9           HA       ALA   9  -2.337  -9.260  -2.835
   62    HB1  ALA   9           HB1      ALA   9  -4.518 -10.374  -2.860
   63    HB2  ALA   9           HB2      ALA   9  -3.936 -10.089  -4.502
   64    HB3  ALA   9           HB3      ALA   9  -5.187  -9.052  -3.818
   65    H    GLY  10           HN       GLY  10  -4.513  -6.568  -3.517
   66    HA2  GLY  10           HA2      GLY  10  -3.446  -5.849  -6.036
   67    HA3  GLY  10           HA1      GLY  10  -4.398  -4.821  -4.964
   68    H    LEU  11           HN       LEU  11  -2.881  -4.750  -2.757
   69    HA   LEU  11           HA       LEU  11  -0.957  -2.801  -3.294
   70    HB2  LEU  11           HB2      LEU  11  -1.313  -4.586  -0.907
   71    HB3  LEU  11           HB1      LEU  11  -0.149  -3.281  -0.977
   72    HG   LEU  11           HG       LEU  11  -3.139  -2.943  -1.208
   73   HD11  LEU  11          HD11      LEU  11  -2.967  -1.991   1.034
   74   HD12  LEU  11          HD12      LEU  11  -1.249  -2.399   1.075
   75   HD13  LEU  11          HD13      LEU  11  -2.461  -3.679   1.008
   76   HD21  LEU  11          HD21      LEU  11  -2.633  -0.560  -0.947
   77   HD22  LEU  11          HD22      LEU  11  -1.872  -1.216  -2.395
   78   HD23  LEU  11          HD23      LEU  11  -0.908  -0.922  -0.945
   79    H    ALA  12           HN       ALA  12  -0.620  -6.254  -2.693
   80    HA   ALA  12           HA       ALA  12   2.140  -6.463  -2.748
   81    HB1  ALA  12           HB1      ALA  12   0.621  -8.264  -2.065
   82    HB2  ALA  12           HB2      ALA  12   1.783  -8.814  -3.266
   83    HB3  ALA  12           HB3      ALA  12   0.121  -8.469  -3.741
   84    H    GLU  13           HN       GLU  13  -0.187  -6.464  -5.370
   85    HA   GLU  13           HA       GLU  13   1.588  -6.945  -7.545
   86    HB2  GLU  13           HB2      GLU  13  -0.818  -5.137  -7.562
   87    HB3  GLU  13           HB1      GLU  13  -0.057  -5.881  -8.955
   88    HG2  GLU  13           HG2      GLU  13  -1.448  -7.297  -6.741
   89    HG3  GLU  13           HG1      GLU  13  -2.119  -6.914  -8.337
   90    H    ILE  14           HN       ILE  14   0.361  -4.015  -6.225
   91    HA   ILE  14           HA       ILE  14   1.624  -2.183  -7.742
   92    HB   ILE  14           HB       ILE  14   0.786  -2.090  -4.850
   93   HG12  ILE  14          HG12      ILE  14  -0.531  -0.918  -7.288
   94   HG13  ILE  14          HG11      ILE  14  -0.874  -2.538  -6.690
   95   HG21  ILE  14          HG21      ILE  14   0.820   0.352  -5.023
   96   HG22  ILE  14          HG22      ILE  14   1.543   0.207  -6.632
   97   HG23  ILE  14          HG23      ILE  14   2.431  -0.354  -5.213
   98   HD11  ILE  14          HD11      ILE  14  -1.281   0.032  -5.177
   99   HD12  ILE  14          HD12      ILE  14  -1.603  -1.613  -4.596
  100   HD13  ILE  14          HD13      ILE  14  -2.534  -0.962  -5.944
  101    H    VAL  15           HN       VAL  15   2.598  -3.478  -4.596
  102    HA   VAL  15           HA       VAL  15   5.065  -2.170  -4.351
  103    HB   VAL  15           HB       VAL  15   4.068  -4.723  -3.066
  104   HG11  VAL  15          HG11      VAL  15   6.516  -4.667  -2.965
  105   HG12  VAL  15          HG12      VAL  15   5.805  -4.404  -1.372
  106   HG13  VAL  15          HG13      VAL  15   6.453  -3.039  -2.285
  107   HG21  VAL  15          HG21      VAL  15   4.215  -1.896  -2.078
  108   HG22  VAL  15          HG22      VAL  15   3.679  -3.289  -1.137
  109   HG23  VAL  15          HG23      VAL  15   2.761  -2.772  -2.551
  110    H    ASN  16           HN       ASN  16   4.225  -5.282  -5.799
  111    HA   ASN  16           HA       ASN  16   6.862  -6.205  -6.171
  112    HB2  ASN  16           HB2      ASN  16   4.629  -7.438  -6.551
  113    HB3  ASN  16           HB1      ASN  16   4.673  -6.682  -8.143
  114   HD21  ASN  16          HD21      ASN  16   7.313  -8.021  -6.181
  115   HD22  ASN  16          HD22      ASN  16   7.854  -9.158  -7.347
  116    H    GLU  17           HN       GLU  17   4.740  -4.221  -8.049
  117    HA   GLU  17           HA       GLU  17   6.372  -3.934 -10.334
  118    HB2  GLU  17           HB2      GLU  17   3.974  -3.653 -10.380
  119    HB3  GLU  17           HB1      GLU  17   4.072  -2.333  -9.232
  120    HG2  GLU  17           HG2      GLU  17   3.650  -1.538 -11.427
  121    HG3  GLU  17           HG1      GLU  17   5.247  -0.987 -10.897
  122    H    ILE  18           HN       ILE  18   5.517  -1.603  -7.817
  123    HA   ILE  18           HA       ILE  18   7.385   0.354  -8.815
  124    HB   ILE  18           HB       ILE  18   5.643   0.413  -6.328
  125   HG12  ILE  18          HG12      ILE  18   5.235   1.710  -8.984
  126   HG13  ILE  18          HG11      ILE  18   4.510   0.140  -8.592
  127   HG21  ILE  18          HG21      ILE  18   7.087   2.620  -7.798
  128   HG22  ILE  18          HG22      ILE  18   7.482   1.989  -6.193
  129   HG23  ILE  18          HG23      ILE  18   5.958   2.836  -6.455
  130   HD11  ILE  18          HD11      ILE  18   3.326   1.264  -6.754
  131   HD12  ILE  18          HD12      ILE  18   2.933   1.938  -8.336
  132   HD13  ILE  18          HD13      ILE  18   4.044   2.792  -7.262
  133    H    ALA  19           HN       ALA  19   7.116  -1.411  -5.749
  134    HA   ALA  19           HA       ALA  19   9.565  -0.291  -4.728
  135    HB1  ALA  19           HB1      ALA  19   7.748  -0.884  -3.242
  136    HB2  ALA  19           HB2      ALA  19   9.195  -1.809  -2.848
  137    HB3  ALA  19           HB3      ALA  19   7.870  -2.573  -3.728
  138    H    GLY  20           HN       GLY  20   8.515  -3.146  -6.397
  139    HA2  GLY  20           HA2      GLY  20   9.639  -4.820  -7.450
  140    HA3  GLY  20           HA1      GLY  20  11.169  -4.084  -7.020
  141    H    ILE  21           HN       ILE  21   8.515  -5.099  -4.966
  142    HA   ILE  21           HA       ILE  21  10.362  -6.952  -3.623
  143    HB   ILE  21           HB       ILE  21   8.084  -5.352  -2.400
  144   HG12  ILE  21          HG12      ILE  21   9.989  -3.912  -2.859
  145   HG13  ILE  21          HG11      ILE  21   9.850  -4.173  -1.128
  146   HG21  ILE  21          HG21      ILE  21  10.027  -7.222  -1.054
  147   HG22  ILE  21          HG22      ILE  21   8.310  -7.512  -1.317
  148   HG23  ILE  21          HG23      ILE  21   8.825  -6.223  -0.236
  149   HD11  ILE  21          HD11      ILE  21  12.163  -4.237  -1.851
  150   HD12  ILE  21          HD12      ILE  21  11.790  -5.545  -2.974
  151   HD13  ILE  21          HD13      ILE  21  11.660  -5.812  -1.233
  152    HA   PRO  22           HA       PRO  22   7.794 -10.515  -4.685
  153    HB2  PRO  22           HB2      PRO  22   7.850 -11.217  -1.896
  154    HB3  PRO  22           HB1      PRO  22   8.680 -11.985  -3.251
  155    HG2  PRO  22           HG2      PRO  22   9.683  -9.991  -1.329
  156    HG3  PRO  22           HG1      PRO  22  10.588 -11.133  -2.341
  157    HD2  PRO  22           HD2      PRO  22  10.640  -8.519  -2.894
  158    HD3  PRO  22           HD1      PRO  22  10.514  -9.745  -4.191
  159    H    VAL  23           HN       VAL  23   5.831 -10.400  -5.081
  160    HA   VAL  23           HA       VAL  23   3.697  -9.032  -3.940
  161    HB   VAL  23           HB       VAL  23   3.745 -11.750  -5.308
  162   HG11  VAL  23          HG11      VAL  23   1.426 -11.336  -5.931
  163   HG12  VAL  23          HG12      VAL  23   1.434  -9.862  -4.962
  164   HG13  VAL  23          HG13      VAL  23   1.632 -11.431  -4.181
  165   HG21  VAL  23          HG21      VAL  23   3.177 -10.535  -7.343
  166   HG22  VAL  23          HG22      VAL  23   4.737 -10.041  -6.684
  167   HG23  VAL  23          HG23      VAL  23   3.321  -9.013  -6.462
  168    H    GLU  24           HN       GLU  24   5.039 -12.110  -3.400
  169    HA   GLU  24           HA       GLU  24   3.015 -12.928  -1.671
  170    HB2  GLU  24           HB2      GLU  24   4.361 -15.017  -1.321
  171    HB3  GLU  24           HB1      GLU  24   3.920 -14.639  -2.978
  172    HG2  GLU  24           HG2      GLU  24   6.169 -13.704  -3.331
  173    HG3  GLU  24           HG1      GLU  24   6.586 -14.186  -1.683
  174    H    ASP  25           HN       ASP  25   5.980 -11.297  -1.141
  175    HA   ASP  25           HA       ASP  25   6.175 -12.191   1.609
  176    HB2  ASP  25           HB2      ASP  25   8.251 -11.619   0.300
  177    HB3  ASP  25           HB1      ASP  25   7.728  -9.935   0.308
  178    H    VAL  26           HN       VAL  26   4.537  -9.988  -0.133
  179    HA   VAL  26           HA       VAL  26   4.148  -7.934   1.835
  180    HB   VAL  26           HB       VAL  26   2.964  -8.432  -0.922
  181   HG11  VAL  26          HG11      VAL  26   1.260  -7.372   0.480
  182   HG12  VAL  26          HG12      VAL  26   1.870  -6.303  -0.784
  183   HG13  VAL  26          HG13      VAL  26   2.405  -6.082   0.895
  184   HG21  VAL  26          HG21      VAL  26   4.189  -6.409  -1.492
  185   HG22  VAL  26          HG22      VAL  26   5.277  -7.627  -0.814
  186   HG23  VAL  26          HG23      VAL  26   4.737  -6.266   0.173
  187    H    LYS  27           HN       LYS  27   3.535  -9.353   3.473
  188    HA   LYS  27           HA       LYS  27   0.693  -9.951   3.504
  189    HB2  LYS  27           HB2      LYS  27   1.607 -11.214   5.621
  190    HB3  LYS  27           HB1      LYS  27   1.542 -12.025   4.053
  191    HG2  LYS  27           HG2      LYS  27   3.940 -11.326   3.780
  192    HG3  LYS  27           HG1      LYS  27   3.901 -10.747   5.448
  193    HD2  LYS  27           HD2      LYS  27   3.327 -13.007   6.211
  194    HD3  LYS  27           HD1      LYS  27   3.384 -13.578   4.539
  195    HE2  LYS  27           HE2      LYS  27   5.652 -12.308   6.016
  196    HE3  LYS  27           HE1      LYS  27   5.451 -14.061   5.824
  197    HZ1  LYS  27           HZ1      LYS  27   7.008 -13.194   4.198
  198    HZ2  LYS  27           HZ2      LYS  27   5.897 -12.074   3.636
  199    HZ3  LYS  27           HZ3      LYS  27   5.624 -13.736   3.425
  200    H    LEU  28           HN       LEU  28   0.040  -9.729   6.059
  201    HA   LEU  28           HA       LEU  28   0.243  -6.871   6.114
  202    HB2  LEU  28           HB2      LEU  28  -1.505  -8.699   7.695
  203    HB3  LEU  28           HB1      LEU  28  -1.433  -6.966   7.950
  204    HG   LEU  28           HG       LEU  28  -2.090  -6.730   5.511
  205   HD11  LEU  28          HD11      LEU  28  -2.839  -9.623   5.843
  206   HD12  LEU  28          HD12      LEU  28  -1.596  -8.961   4.768
  207   HD13  LEU  28          HD13      LEU  28  -3.291  -8.550   4.512
  208   HD21  LEU  28          HD21      LEU  28  -4.457  -7.042   6.007
  209   HD22  LEU  28          HD22      LEU  28  -3.582  -6.262   7.331
  210   HD23  LEU  28          HD23      LEU  28  -4.017  -7.970   7.448
  211    H    ASP  29           HN       ASP  29   2.349  -8.676   7.247
  212    HA   ASP  29           HA       ASP  29   2.739  -7.408   9.874
  213    HB2  ASP  29           HB2      ASP  29   3.081  -9.813   9.795
  214    HB3  ASP  29           HB1      ASP  29   4.161  -9.646   8.419
  215    H    LYS  30           HN       LYS  30   3.235  -6.707   6.751
  216    HA   LYS  30           HA       LYS  30   6.035  -5.972   6.893
  217    HB2  LYS  30           HB2      LYS  30   4.078  -6.299   4.685
  218    HB3  LYS  30           HB1      LYS  30   5.705  -5.723   4.433
  219    HG2  LYS  30           HG2      LYS  30   4.958  -8.374   5.677
  220    HG3  LYS  30           HG1      LYS  30   5.370  -8.155   3.978
  221    HD2  LYS  30           HD2      LYS  30   7.609  -7.466   4.570
  222    HD3  LYS  30           HD1      LYS  30   7.188  -7.495   6.281
  223    HE2  LYS  30           HE2      LYS  30   6.957  -9.839   6.305
  224    HE3  LYS  30           HE1      LYS  30   6.962  -9.930   4.546
  225    HZ1  LYS  30           HZ1      LYS  30   9.201  -9.634   4.447
  226    HZ2  LYS  30           HZ2      LYS  30   9.097 -10.505   5.925
  227    HZ3  LYS  30           HZ3      LYS  30   9.303  -8.839   5.916
  228    H    SER  31           HN       SER  31   6.461  -3.933   7.387
  229    HA   SER  31           HA       SER  31   4.657  -1.867   6.457
  230    HB2  SER  31           HB2      SER  31   5.583  -1.692   8.747
  231    HB3  SER  31           HB1      SER  31   7.221  -1.719   8.105
  232    HG   SER  31           HG       SER  31   5.630   0.281   7.014
  233    H    PHE  32           HN       PHE  32   4.918  -1.294   4.492
  234    HA   PHE  32           HA       PHE  32   6.535  -1.980   2.520
  235    HB2  PHE  32           HB2      PHE  32   5.640   0.875   2.893
  236    HB3  PHE  32           HB1      PHE  32   6.137   0.109   1.387
  237    HD1  PHE  32           HD1      PHE  32   4.733  -1.657   0.398
  238    HD2  PHE  32           HD2      PHE  32   3.462   0.645   3.725
  239    HE1  PHE  32           HE1      PHE  32   2.406  -2.295  -0.050
  240    HE2  PHE  32           HE2      PHE  32   1.129   0.016   3.272
  241    HZ   PHE  32           HZ       PHE  32   0.605  -1.439   1.376
  242    H    THR  33           HN       THR  33   7.347   1.289   3.802
  243    HA   THR  33           HA       THR  33  10.075   0.849   3.009
  244    HB   THR  33           HB       THR  33  10.058   3.293   4.191
  245    HG1  THR  33           HG1      THR  33   7.926   3.537   4.629
  246   HG21  THR  33          HG21      THR  33   9.741   4.150   1.921
  247   HG22  THR  33          HG22      THR  33   9.164   2.558   1.413
  248   HG23  THR  33          HG23      THR  33  10.827   2.760   1.953
  249    H    ASP  34           HN       ASP  34   9.597  -0.893   4.918
  250    HA   ASP  34           HA       ASP  34  11.414  -0.032   7.030
  251    HB2  ASP  34           HB2      ASP  34   9.353   0.445   8.091
  252    HB3  ASP  34           HB1      ASP  34   8.642  -1.055   7.509
  253    H    ASP  35           HN       ASP  35   9.335  -2.670   5.960
  254    HA   ASP  35           HA       ASP  35  11.445  -4.573   6.742
  255    HB2  ASP  35           HB2      ASP  35   8.956  -4.764   7.508
  256    HB3  ASP  35           HB1      ASP  35   8.688  -5.335   5.868
  257    H    LEU  36           HN       LEU  36   9.056  -4.049   4.205
  258    HA   LEU  36           HA       LEU  36  10.117  -5.821   2.291
  259    HB2  LEU  36           HB2      LEU  36   8.531  -3.288   1.874
  260    HB3  LEU  36           HB1      LEU  36   8.736  -4.555   0.686
  261    HG   LEU  36           HG       LEU  36   7.274  -4.858   3.316
  262   HD11  LEU  36          HD11      LEU  36   6.093  -3.381   1.787
  263   HD12  LEU  36          HD12      LEU  36   5.259  -4.926   1.939
  264   HD13  LEU  36          HD13      LEU  36   6.225  -4.585   0.506
  265   HD21  LEU  36          HD21      LEU  36   7.512  -6.723   0.955
  266   HD22  LEU  36          HD22      LEU  36   6.520  -6.985   2.391
  267   HD23  LEU  36          HD23      LEU  36   8.276  -6.947   2.530
  268    H    ASP  37           HN       ASP  37  10.376  -2.389   2.756
  269    HA   ASP  37           HA       ASP  37  11.843  -0.823   2.355
  270    HB2  ASP  37           HB2      ASP  37  13.662  -2.501   2.938
  271    HB3  ASP  37           HB1      ASP  37  13.809  -2.825   1.213
  272    H    VAL  38           HN       VAL  38  10.530   0.051   1.040
  273    HA   VAL  38           HA       VAL  38  10.422  -0.619  -1.752
  274    HB   VAL  38           HB       VAL  38   9.122   1.659  -0.173
  275   HG11  VAL  38          HG11      VAL  38   8.526   0.744  -2.987
  276   HG12  VAL  38          HG12      VAL  38   9.296   2.265  -2.538
  277   HG13  VAL  38          HG13      VAL  38   7.623   1.954  -2.077
  278   HG21  VAL  38          HG21      VAL  38   8.346  -0.521   0.533
  279   HG22  VAL  38          HG22      VAL  38   7.993  -0.955  -1.141
  280   HG23  VAL  38          HG23      VAL  38   7.078   0.331  -0.352
  281    H    ASP  39           HN       ASP  39  10.633   2.658  -0.518
  282    HA   ASP  39           HA       ASP  39  13.183   3.426  -0.828
  283    HB2  ASP  39           HB2      ASP  39  12.681   2.858  -3.419
  284    HB3  ASP  39           HB1      ASP  39  11.566   4.223  -3.165
  285    H    SER  40           HN       SER  40  12.891   5.863  -1.353
  286    HA   SER  40           HA       SER  40  10.817   6.629   0.552
  287    HB2  SER  40           HB2      SER  40  13.351   7.231   0.667
  288    HB3  SER  40           HB1      SER  40  12.940   8.460  -0.529
  289    H    LEU  41           HN       LEU  41  11.865   7.010  -2.716
  290    HA   LEU  41           HA       LEU  41   9.908   9.072  -3.298
  291    HB2  LEU  41           HB2      LEU  41  11.833   7.656  -5.142
  292    HB3  LEU  41           HB1      LEU  41  10.813   9.005  -5.585
  293    HG   LEU  41           HG       LEU  41  13.099   9.068  -3.618
  294   HD11  LEU  41          HD11      LEU  41  14.160  10.518  -5.276
  295   HD12  LEU  41          HD12      LEU  41  12.789  10.274  -6.358
  296   HD13  LEU  41          HD13      LEU  41  13.824   8.913  -5.924
  297   HD21  LEU  41          HD21      LEU  41  11.279  11.288  -4.550
  298   HD22  LEU  41          HD22      LEU  41  12.712  11.488  -3.544
  299   HD23  LEU  41          HD23      LEU  41  11.320  10.591  -2.932
  300    H    SER  42           HN       SER  42  10.586   5.672  -4.107
  301    HA   SER  42           HA       SER  42   8.483   5.319  -5.907
  302    HB2  SER  42           HB2      SER  42   9.818   3.251  -4.152
  303    HB3  SER  42           HB1      SER  42   9.030   2.987  -5.707
  304    HG   SER  42           HG       SER  42  10.685   4.724  -6.367
  305    H    MET  43           HN       MET  43   8.660   5.437  -2.502
  306    HA   MET  43           HA       MET  43   6.455   4.044  -1.593
  307    HB2  MET  43           HB2      MET  43   8.064   5.030  -0.121
  308    HB3  MET  43           HB1      MET  43   7.655   6.646  -0.672
  309    HG2  MET  43           HG2      MET  43   6.733   5.971   1.540
  310    HG3  MET  43           HG1      MET  43   5.568   6.589   0.359
  311    HE1  MET  43           HE1      MET  43   7.094   3.223   1.836
  312    HE2  MET  43           HE2      MET  43   7.192   3.140   0.086
  313    HE3  MET  43           HE3      MET  43   6.083   2.062   0.958
  314    H    VAL  44           HN       VAL  44   6.706   7.302  -3.002
  315    HA   VAL  44           HA       VAL  44   4.043   7.995  -2.380
  316    HB   VAL  44           HB       VAL  44   5.976   9.338  -4.298
  317   HG11  VAL  44          HG11      VAL  44   3.666  10.031  -4.704
  318   HG12  VAL  44          HG12      VAL  44   4.601  11.344  -3.988
  319   HG13  VAL  44          HG13      VAL  44   3.475  10.421  -2.995
  320   HG21  VAL  44          HG21      VAL  44   5.415   9.891  -1.380
  321   HG22  VAL  44          HG22      VAL  44   6.451  10.862  -2.422
  322   HG23  VAL  44          HG23      VAL  44   6.889   9.198  -2.042
  323    H    GLU  45           HN       GLU  45   5.554   6.303  -5.050
  324    HA   GLU  45           HA       GLU  45   3.231   6.736  -6.638
  325    HB2  GLU  45           HB2      GLU  45   5.717   5.117  -7.144
  326    HB3  GLU  45           HB1      GLU  45   4.333   5.108  -8.236
  327    HG2  GLU  45           HG2      GLU  45   4.531   7.573  -8.413
  328    HG3  GLU  45           HG1      GLU  45   6.011   7.481  -7.466
  329    H    VAL  46           HN       VAL  46   4.351   4.448  -4.344
  330    HA   VAL  46           HA       VAL  46   2.507   2.365  -4.961
  331    HB   VAL  46           HB       VAL  46   3.637   3.158  -2.234
  332   HG11  VAL  46          HG11      VAL  46   2.384   0.555  -3.123
  333   HG12  VAL  46          HG12      VAL  46   1.670   1.729  -2.017
  334   HG13  VAL  46          HG13      VAL  46   3.125   0.852  -1.550
  335   HG21  VAL  46          HG21      VAL  46   5.277   1.369  -2.590
  336   HG22  VAL  46          HG22      VAL  46   5.412   2.630  -3.817
  337   HG23  VAL  46          HG23      VAL  46   4.627   1.102  -4.209
  338    H    VAL  47           HN       VAL  47   2.386   5.244  -2.987
  339    HA   VAL  47           HA       VAL  47  -0.229   5.093  -1.991
  340    HB   VAL  47           HB       VAL  47   1.132   7.627  -2.950
  341   HG11  VAL  47          HG11      VAL  47  -0.114   8.698  -1.136
  342   HG12  VAL  47          HG12      VAL  47  -0.842   7.146  -0.729
  343   HG13  VAL  47          HG13      VAL  47  -1.193   7.896  -2.277
  344   HG21  VAL  47          HG21      VAL  47   2.135   7.822  -0.718
  345   HG22  VAL  47          HG22      VAL  47   2.719   6.402  -1.583
  346   HG23  VAL  47          HG23      VAL  47   1.512   6.223  -0.310
  347    H    VAL  48           HN       VAL  48   0.910   6.997  -4.775
  348    HA   VAL  48           HA       VAL  48  -1.469   7.587  -6.039
  349    HB   VAL  48           HB       VAL  48   1.162   6.912  -7.402
  350   HG11  VAL  48          HG11      VAL  48  -1.204   8.458  -8.478
  351   HG12  VAL  48          HG12      VAL  48  -0.679   6.862  -9.016
  352   HG13  VAL  48          HG13      VAL  48   0.353   8.267  -9.283
  353   HG21  VAL  48          HG21      VAL  48   1.350   8.708  -5.772
  354   HG22  VAL  48          HG22      VAL  48  -0.006   9.551  -6.526
  355   HG23  VAL  48          HG23      VAL  48   1.504   9.336  -7.412
  356    H    ALA  49           HN       ALA  49   0.432   4.602  -6.625
  357    HA   ALA  49           HA       ALA  49  -1.384   3.585  -8.528
  358    HB1  ALA  49           HB1      ALA  49  -0.169   1.509  -8.399
  359    HB2  ALA  49           HB2      ALA  49   0.611   2.028  -6.906
  360    HB3  ALA  49           HB3      ALA  49   0.956   2.868  -8.418
  361    H    ALA  50           HN       ALA  50  -1.425   3.487  -5.053
  362    HA   ALA  50           HA       ALA  50  -3.200   1.299  -4.848
  363    HB1  ALA  50           HB1      ALA  50  -3.698   2.138  -2.590
  364    HB2  ALA  50           HB2      ALA  50  -2.857   3.641  -2.966
  365    HB3  ALA  50           HB3      ALA  50  -1.961   2.121  -2.904
  366    H    GLU  51           HN       GLU  51  -3.561   4.728  -5.346
  367    HA   GLU  51           HA       GLU  51  -6.383   4.929  -5.199
  368    HB2  GLU  51           HB2      GLU  51  -4.531   6.485  -6.999
  369    HB3  GLU  51           HB1      GLU  51  -6.121   6.967  -6.437
  370    HG2  GLU  51           HG2      GLU  51  -5.253   7.169  -4.178
  371    HG3  GLU  51           HG1      GLU  51  -3.660   6.663  -4.753
  372    H    GLU  52           HN       GLU  52  -4.097   4.567  -7.812
  373    HA   GLU  52           HA       GLU  52  -5.689   4.360 -10.062
  374    HB2  GLU  52           HB2      GLU  52  -3.224   4.562 -10.004
  375    HB3  GLU  52           HB1      GLU  52  -3.112   2.905  -9.448
  376    HG2  GLU  52           HG2      GLU  52  -2.609   2.865 -11.736
  377    HG3  GLU  52           HG1      GLU  52  -4.255   2.247 -11.597
  378    H    ARG  53           HN       ARG  53  -4.792   1.911  -7.714
  379    HA   ARG  53           HA       ARG  53  -5.730  -0.297  -9.279
  380    HB2  ARG  53           HB2      ARG  53  -3.740  -0.453  -7.883
  381    HB3  ARG  53           HB1      ARG  53  -4.698  -0.087  -6.461
  382    HG2  ARG  53           HG2      ARG  53  -4.225  -2.419  -6.515
  383    HG3  ARG  53           HG1      ARG  53  -5.946  -2.184  -6.825
  384    HD2  ARG  53           HD2      ARG  53  -5.575  -2.476  -9.202
  385    HD3  ARG  53           HD1      ARG  53  -3.838  -2.642  -8.925
  386    HE   ARG  53           HE       ARG  53  -5.663  -4.466  -7.590
  387   HH11  ARG  53          HH11      ARG  53  -3.135  -3.940 -10.020
  388   HH12  ARG  53          HH12      ARG  53  -2.864  -5.594 -10.318
  389   HH21  ARG  53          HH21      ARG  53  -5.236  -6.770  -7.928
  390   HH22  ARG  53          HH22      ARG  53  -4.125  -7.255  -9.112
  391    H    PHE  54           HN       PHE  54  -6.641   1.263  -6.207
  392    HA   PHE  54           HA       PHE  54  -8.877  -0.584  -6.057
  393    HB2  PHE  54           HB2      PHE  54  -7.756   1.286  -4.006
  394    HB3  PHE  54           HB1      PHE  54  -9.060   0.134  -3.752
  395    HD1  PHE  54           HD1      PHE  54  -8.339  -2.346  -4.674
  396    HD2  PHE  54           HD2      PHE  54  -5.735   0.666  -3.184
  397    HE1  PHE  54           HE1      PHE  54  -6.675  -4.056  -4.103
  398    HE2  PHE  54           HE2      PHE  54  -4.079  -1.063  -2.592
  399    HZ   PHE  54           HZ       PHE  54  -4.550  -3.406  -3.078
  400    H    ASP  55           HN       ASP  55  -8.421   2.518  -7.193
  401    HA   ASP  55           HA       ASP  55  -9.856   4.027  -8.047
  402    HB2  ASP  55           HB2      ASP  55 -11.478   2.177  -8.478
  403    HB3  ASP  55           HB1      ASP  55 -12.085   2.349  -6.850
  404    H    VAL  56           HN       VAL  56  -9.397   3.379  -4.953
  405    HA   VAL  56           HA       VAL  56 -10.982   5.385  -3.659
  406    HB   VAL  56           HB       VAL  56 -10.248   3.290  -2.540
  407   HG11  VAL  56          HG11      VAL  56  -8.091   3.007  -3.499
  408   HG12  VAL  56          HG12      VAL  56  -7.965   3.008  -1.738
  409   HG13  VAL  56          HG13      VAL  56  -7.486   4.433  -2.658
  410   HG21  VAL  56          HG21      VAL  56  -9.168   5.736  -1.128
  411   HG22  VAL  56          HG22      VAL  56  -9.589   4.203  -0.367
  412   HG23  VAL  56          HG23      VAL  56 -10.844   5.191  -1.108
  413    H    LYS  57           HN       LYS  57  -9.884   7.199  -2.395
  414    HA   LYS  57           HA       LYS  57  -7.664   8.385  -3.932
  415    HB2  LYS  57           HB2      LYS  57  -9.797   9.648  -4.025
  416    HB3  LYS  57           HB1      LYS  57  -9.858   9.675  -2.272
  417    HG2  LYS  57           HG2      LYS  57  -9.129  11.813  -3.088
  418    HG3  LYS  57           HG1      LYS  57  -7.787  11.022  -2.259
  419    HD2  LYS  57           HD2      LYS  57  -6.873  10.321  -4.409
  420    HD3  LYS  57           HD1      LYS  57  -8.222  11.096  -5.237
  421    HE2  LYS  57           HE2      LYS  57  -6.170  12.493  -3.521
  422    HE3  LYS  57           HE1      LYS  57  -6.193  12.476  -5.281
  423    HZ1  LYS  57           HZ1      LYS  57  -7.146  14.488  -4.573
  424    HZ2  LYS  57           HZ2      LYS  57  -8.143  13.747  -3.449
  425    HZ3  LYS  57           HZ3      LYS  57  -8.437  13.537  -5.121
  426    H    ILE  58           HN       ILE  58  -5.883   7.887  -2.905
  427    HA   ILE  58           HA       ILE  58  -5.777   8.466  -0.024
  428    HB   ILE  58           HB       ILE  58  -4.019   6.384  -1.370
  429   HG12  ILE  58          HG12      ILE  58  -6.513   5.829   0.257
  430   HG13  ILE  58          HG11      ILE  58  -6.395   5.643  -1.488
  431   HG21  ILE  58          HG21      ILE  58  -3.623   5.646   0.963
  432   HG22  ILE  58          HG22      ILE  58  -4.678   6.918   1.538
  433   HG23  ILE  58          HG23      ILE  58  -3.162   7.336   0.729
  434   HD11  ILE  58          HD11      ILE  58  -4.701   3.936  -1.201
  435   HD12  ILE  58          HD12      ILE  58  -6.180   3.515  -0.335
  436   HD13  ILE  58          HD13      ILE  58  -4.783   4.131   0.549
  437    HA   PRO  59           HA       PRO  59  -2.637  10.926  -2.139
  438    HB2  PRO  59           HB2      PRO  59  -2.991  13.196  -0.760
  439    HB3  PRO  59           HB1      PRO  59  -4.086  12.741  -2.071
  440    HG2  PRO  59           HG2      PRO  59  -4.489  12.599   0.871
  441    HG3  PRO  59           HG1      PRO  59  -5.660  12.934  -0.413
  442    HD2  PRO  59           HD2      PRO  59  -5.283  10.478   0.882
  443    HD3  PRO  59           HD1      PRO  59  -6.174  10.731  -0.630
  444    H    ASP  60           HN       ASP  60  -0.682  11.877  -1.313
  445    HA   ASP  60           HA       ASP  60   0.699  10.525   0.592
  446    HB2  ASP  60           HB2      ASP  60   2.414  12.193   0.448
  447    HB3  ASP  60           HB1      ASP  60   1.686  12.015  -1.143
  448    H    ASP  61           HN       ASP  61  -1.513  13.122   1.214
  449    HA   ASP  61           HA       ASP  61  -0.510  13.679   3.821
  450    HB2  ASP  61           HB2      ASP  61  -1.906  15.347   2.709
  451    HB3  ASP  61           HB1      ASP  61  -3.270  14.232   2.712
  452    H    ASP  62           HN       ASP  62  -3.269  11.785   2.641
  453    HA   ASP  62           HA       ASP  62  -3.959  10.764   5.235
  454    HB2  ASP  62           HB2      ASP  62  -4.813   9.941   2.460
  455    HB3  ASP  62           HB1      ASP  62  -5.350   9.092   3.897
  456    H    VAL  63           HN       VAL  63  -1.832   9.810   2.757
  457    HA   VAL  63           HA       VAL  63  -1.576   7.156   3.584
  458    HB   VAL  63           HB       VAL  63  -0.695   8.314   1.404
  459   HG11  VAL  63          HG11      VAL  63   1.785   8.415   3.095
  460   HG12  VAL  63          HG12      VAL  63   0.929   9.784   2.383
  461   HG13  VAL  63          HG13      VAL  63   1.725   8.606   1.343
  462   HG21  VAL  63          HG21      VAL  63   0.655   6.021   2.759
  463   HG22  VAL  63          HG22      VAL  63   0.809   6.429   1.046
  464   HG23  VAL  63          HG23      VAL  63  -0.764   5.984   1.710
  465    H    LYS  64           HN       LYS  64  -0.469  10.032   4.977
  466    HA   LYS  64           HA       LYS  64   1.766   9.066   6.368
  467    HB2  LYS  64           HB2      LYS  64  -0.015  11.404   7.075
  468    HB3  LYS  64           HB1      LYS  64   1.561  11.082   7.785
  469    HG2  LYS  64           HG2      LYS  64   2.555  11.304   5.500
  470    HG3  LYS  64           HG1      LYS  64   0.980  11.778   4.905
  471    HD2  LYS  64           HD2      LYS  64   2.519  13.252   7.059
  472    HD3  LYS  64           HD1      LYS  64   2.507  13.691   5.360
  473    HE2  LYS  64           HE2      LYS  64   0.980  15.161   6.428
  474    HE3  LYS  64           HE1      LYS  64  -0.009  13.980   5.590
  475    HZ1  LYS  64           HZ1      LYS  64   0.598  13.973   8.504
  476    HZ2  LYS  64           HZ2      LYS  64  -0.437  12.880   7.724
  477    HZ3  LYS  64           HZ3      LYS  64  -0.833  14.493   7.802
  478    H    ASN  65           HN       ASN  65  -1.248   7.965   6.679
  479    HA   ASN  65           HA       ASN  65  -1.221   7.647   9.613
  480    HB2  ASN  65           HB2      ASN  65  -3.521   7.251   7.661
  481    HB3  ASN  65           HB1      ASN  65  -3.606   7.051   9.398
  482   HD21  ASN  65          HD21      ASN  65  -3.600   9.232   6.781
  483   HD22  ASN  65          HD22      ASN  65  -4.000  10.671   7.646
  484    H    LEU  66           HN       LEU  66  -0.151   6.265   6.881
  485    HA   LEU  66           HA       LEU  66  -0.981   3.594   7.601
  486    HB2  LEU  66           HB2      LEU  66  -0.180   4.593   4.869
  487    HB3  LEU  66           HB1      LEU  66  -0.851   3.032   5.300
  488    HG   LEU  66           HG       LEU  66  -2.340   5.663   5.317
  489   HD11  LEU  66          HD11      LEU  66  -3.580   4.733   3.438
  490   HD12  LEU  66          HD12      LEU  66  -2.534   3.313   3.455
  491   HD13  LEU  66          HD13      LEU  66  -1.862   4.902   3.078
  492   HD21  LEU  66          HD21      LEU  66  -4.341   4.292   5.679
  493   HD22  LEU  66          HD22      LEU  66  -3.213   4.163   7.031
  494   HD23  LEU  66          HD23      LEU  66  -3.330   2.865   5.838
  495    H    LYS  67           HN       LYS  67   0.631   2.204   7.454
  496    HA   LYS  67           HA       LYS  67   3.184   2.866   6.493
  497    HB2  LYS  67           HB2      LYS  67   4.282   2.075   8.855
  498    HB3  LYS  67           HB1      LYS  67   4.067   3.745   8.384
  499    HG2  LYS  67           HG2      LYS  67   3.389   3.478  10.666
  500    HG3  LYS  67           HG1      LYS  67   1.960   3.793   9.679
  501    HD2  LYS  67           HD2      LYS  67   1.466   1.382   9.699
  502    HD3  LYS  67           HD1      LYS  67   2.871   1.118  10.735
  503    HE2  LYS  67           HE2      LYS  67   1.885   2.445  12.491
  504    HE3  LYS  67           HE1      LYS  67   0.565   2.922  11.422
  505    HZ1  LYS  67           HZ1      LYS  67   1.078   0.130  12.325
  506    HZ2  LYS  67           HZ2      LYS  67  -0.196   0.669  11.352
  507    HZ3  LYS  67           HZ3      LYS  67  -0.116   1.158  12.965
  508    H    THR  68           HN       THR  68   1.187   0.409   7.968
  509    HA   THR  68           HA       THR  68   2.998  -1.417   6.577
  510    HB   THR  68           HB       THR  68   1.723  -3.315   7.522
  511    HG1  THR  68           HG1      THR  68   0.379  -1.321   9.034
  512   HG21  THR  68          HG21      THR  68   2.550  -3.164   9.806
  513   HG22  THR  68          HG22      THR  68   2.867  -1.431   9.568
  514   HG23  THR  68          HG23      THR  68   3.722  -2.650   8.596
  515    H    VAL  69           HN       VAL  69   1.968  -3.215   5.466
  516    HA   VAL  69           HA       VAL  69   0.242  -2.421   3.408
  517    HB   VAL  69           HB       VAL  69  -0.067  -4.969   3.163
  518   HG11  VAL  69          HG11      VAL  69   2.258  -5.307   2.405
  519   HG12  VAL  69          HG12      VAL  69   2.763  -3.891   3.332
  520   HG13  VAL  69          HG13      VAL  69   1.702  -3.701   1.938
  521   HG21  VAL  69          HG21      VAL  69   1.472  -6.324   4.421
  522   HG22  VAL  69          HG22      VAL  69   0.286  -5.514   5.448
  523   HG23  VAL  69          HG23      VAL  69   1.941  -4.909   5.358
  524    H    GLY  70           HN       GLY  70  -0.254  -3.835   6.534
  525    HA2  GLY  70           HA2      GLY  70  -2.983  -4.481   6.286
  526    HA3  GLY  70           HA1      GLY  70  -2.126  -4.252   7.810
  527    H    ASP  71           HN       ASP  71  -1.310  -1.620   7.513
  528    HA   ASP  71           HA       ASP  71  -3.597  -0.136   8.288
  529    HB2  ASP  71           HB2      ASP  71  -0.972   0.924   7.228
  530    HB3  ASP  71           HB1      ASP  71  -2.243   1.921   7.910
  531    H    ALA  72           HN       ALA  72  -1.738  -0.206   5.303
  532    HA   ALA  72           HA       ALA  72  -3.126   1.685   3.847
  533    HB1  ALA  72           HB1      ALA  72  -1.031   0.667   3.103
  534    HB2  ALA  72           HB2      ALA  72  -2.271   0.542   1.858
  535    HB3  ALA  72           HB3      ALA  72  -1.864  -0.864   2.842
  536    H    THR  73           HN       THR  73  -3.586  -1.868   3.603
  537    HA   THR  73           HA       THR  73  -5.912  -2.047   2.304
  538    HB   THR  73           HB       THR  73  -4.994  -3.621   4.692
  539    HG1  THR  73           HG1      THR  73  -3.439  -3.871   3.264
  540   HG21  THR  73          HG21      THR  73  -6.331  -5.447   3.688
  541   HG22  THR  73          HG22      THR  73  -6.884  -4.307   2.446
  542   HG23  THR  73          HG23      THR  73  -7.336  -4.056   4.122
  543    H    LYS  74           HN       LYS  74  -5.578  -1.491   5.829
  544    HA   LYS  74           HA       LYS  74  -8.306  -1.698   6.422
  545    HB2  LYS  74           HB2      LYS  74  -6.388  -1.872   8.031
  546    HB3  LYS  74           HB1      LYS  74  -6.213  -0.130   7.935
  547    HG2  LYS  74           HG2      LYS  74  -7.418  -0.804   9.935
  548    HG3  LYS  74           HG1      LYS  74  -8.446   0.153   8.864
  549    HD2  LYS  74           HD2      LYS  74  -9.566  -1.818   8.076
  550    HD3  LYS  74           HD1      LYS  74  -8.430  -2.864   8.924
  551    HE2  LYS  74           HE2      LYS  74 -10.322  -0.926  10.252
  552    HE3  LYS  74           HE1      LYS  74 -10.613  -2.654  10.072
  553    HZ1  LYS  74           HZ1      LYS  74  -9.732  -2.137  12.251
  554    HZ2  LYS  74           HZ2      LYS  74  -8.369  -1.423  11.598
  555    HZ3  LYS  74           HZ3      LYS  74  -8.637  -3.090  11.396
  556    H    TYR  75           HN       TYR  75  -6.343   1.019   5.289
  557    HA   TYR  75           HA       TYR  75  -8.373   2.951   5.825
  558    HB2  TYR  75           HB2      TYR  75  -5.982   3.580   5.696
  559    HB3  TYR  75           HB1      TYR  75  -5.948   3.082   4.010
  560    HD1  TYR  75           HD1      TYR  75  -7.263   5.587   6.373
  561    HD2  TYR  75           HD2      TYR  75  -6.794   4.516   2.284
  562    HE1  TYR  75           HE1      TYR  75  -7.956   7.848   5.703
  563    HE2  TYR  75           HE2      TYR  75  -7.484   6.763   1.604
  564    HH   TYR  75           HH       TYR  75  -7.723   9.359   3.771
  565    H    ILE  76           HN       ILE  76  -7.186   1.112   3.096
  566    HA   ILE  76           HA       ILE  76  -8.870   2.195   1.127
  567    HB   ILE  76           HB       ILE  76  -7.601  -0.558   1.278
  568   HG12  ILE  76          HG12      ILE  76  -6.593   1.946  -0.074
  569   HG13  ILE  76          HG11      ILE  76  -6.085   1.420   1.523
  570   HG21  ILE  76          HG21      ILE  76  -9.379  -0.407  -0.424
  571   HG22  ILE  76          HG22      ILE  76  -7.789  -0.529  -1.177
  572   HG23  ILE  76          HG23      ILE  76  -8.610   1.030  -1.097
  573   HD11  ILE  76          HD11      ILE  76  -5.170  -0.610   0.566
  574   HD12  ILE  76          HD12      ILE  76  -4.465   0.832  -0.167
  575   HD13  ILE  76          HD13      ILE  76  -5.694  -0.095  -1.037
  576    H    LEU  77           HN       LEU  77  -9.149  -0.683   3.098
  577    HA   LEU  77           HA       LEU  77 -11.518  -1.811   2.253
  578    HB2  LEU  77           HB2      LEU  77 -10.041  -2.779   3.936
  579    HB3  LEU  77           HB1      LEU  77 -10.480  -1.518   5.067
  580    HG   LEU  77           HG       LEU  77 -12.838  -2.394   4.957
  581   HD11  LEU  77          HD11      LEU  77 -13.152  -4.677   4.193
  582   HD12  LEU  77          HD12      LEU  77 -11.501  -4.690   3.567
  583   HD13  LEU  77          HD13      LEU  77 -12.698  -3.587   2.884
  584   HD21  LEU  77          HD21      LEU  77 -10.693  -4.239   5.996
  585   HD22  LEU  77          HD22      LEU  77 -12.384  -4.257   6.483
  586   HD23  LEU  77          HD23      LEU  77 -11.376  -2.853   6.845
  587    H    ASP  78           HN       ASP  78 -11.010   0.821   4.427
  588    HA   ASP  78           HA       ASP  78 -13.878   1.039   4.962
  589    HB2  ASP  78           HB2      ASP  78 -12.420   1.232   6.893
  590    HB3  ASP  78           HB1      ASP  78 -11.607   2.614   6.165
  591    H    HIS  79           HN       HIS  79 -11.350   2.958   3.466
  592    HA   HIS  79           HA       HIS  79 -13.144   5.157   2.986
  593    HB2  HIS  79           HB2      HIS  79 -10.377   4.907   3.250
  594    HB3  HIS  79           HB1      HIS  79 -10.639   5.373   1.574
  595    HD1  HIS  79           HD1      HIS  79 -11.216   7.823   1.139
  596    HD2  HIS  79           HD2      HIS  79 -11.394   6.775   5.158
  597    HE1  HIS  79           HE1      HIS  79 -11.470   9.977   2.393
  598    HE2  HIS  79           HE2      HIS  79 -11.291   9.308   4.833
  599    H    GLN  80           HN       GLN  80 -12.910   2.292   1.452
  600    HA   GLN  80           HA       GLN  80 -12.726   2.348  -1.210
  601    HB2  GLN  80           HB2      GLN  80 -15.028   1.451   0.431
  602    HB3  GLN  80           HB1      GLN  80 -14.950   1.076  -1.295
  603    HG2  GLN  80           HG2      GLN  80 -13.072   0.211   0.890
  604    HG3  GLN  80           HG1      GLN  80 -14.310  -0.780   0.126
  605   HE21  GLN  80          HE21      GLN  80 -11.482  -1.164   0.332
  606   HE22  GLN  80          HE22      GLN  80 -10.894  -1.342  -1.284
  607    H    ALA  81           HN       ALA  81 -13.558   3.422  -2.943
  608    HA   ALA  81           HA       ALA  81 -15.062   5.780  -2.438
  609    HB1  ALA  81           HB1      ALA  81 -14.801   6.214  -4.822
  610    HB2  ALA  81           HB2      ALA  81 -14.197   4.577  -5.067
  611    HB3  ALA  81           HB3      ALA  81 -13.265   5.725  -4.108
  612    H2   SHW 101           H2A      SHW 101   2.312   5.831   3.769
  613    H2A  SHW 101           H2B      SHW 101   3.436   5.405   2.479
  614    H3   SHW 101           H3A      SHW 101   2.820   3.726   4.942
  615    HO3  SHW 101           HO3      SHW 101   4.684   3.537   2.872
  616    H4   SHW 101           H4A      SHW 101   0.972   3.777   3.291
  617    H4A  SHW 101           H4B      SHW 101   1.733   2.194   3.361
  618    H5   SHW 101           H5A      SHW 101   3.040   2.785   1.328
  619    H5A  SHW 101           H5B      SHW 101   2.137   4.290   1.231
  620    H6   SHW 101           H6A      SHW 101   0.918   1.536   1.105
  621    H6A  SHW 101           H6B      SHW 101   1.241   2.571  -0.286
  622    H7   SHW 101           H7A      SHW 101  -0.299   4.258   0.608
  623    H7A  SHW 101           H7B      SHW 101  -0.651   3.187   1.977
  624    H8   SHW 101           H8C      SHW 101  -1.469   1.496   0.418
  625    H8A  SHW 101           H8A      SHW 101  -1.106   2.563  -0.936
  626    H8B  SHW 101           H8B      SHW 101  -2.350   3.013   0.231
  627    H28  SHW 101          H28A      SHW 101  10.919  11.573  -0.316
  628   H28A  SHW 101          H28B      SHW 101  10.115  10.131   0.315
  629    H30  SHW 101          H30A      SHW 101  10.454  13.366   2.007
  630   H30A  SHW 101          H30B      SHW 101   8.897  14.018   1.495
  631   H30B  SHW 101          H30C      SHW 101  10.185  13.781   0.314
  632    H31  SHW 101          H31A      SHW 101   8.690  12.434  -1.084
  633   H31A  SHW 101          H31B      SHW 101   7.369  12.608   0.070
  634   H31B  SHW 101          H31C      SHW 101   7.899  11.000  -0.427
  635    H32  SHW 101          H32A      SHW 101   9.173  11.530   3.111
  636   HO33  SHW 101          H33A      SHW 101   6.666  11.401   2.213
  637   HN36  SHW 101          H36A      SHW 101   9.961   9.397   2.569
  638    H37  SHW 101          H37A      SHW 101   7.812   7.395   2.068
  639   H37A  SHW 101          H37B      SHW 101   9.450   7.213   1.466
  640    H38  SHW 101          H38A      SHW 101   9.189   5.806   3.369
  641   H38A  SHW 101          H38B      SHW 101  10.293   7.116   3.793
  642   HN41  SHW 101          H41A      SHW 101   7.136   8.189   3.630
  643    H42  SHW 101          H42A      SHW 101   6.304   7.659   6.413
  644   H42A  SHW 101          H42B      SHW 101   6.680   9.270   5.888
  645    H43  SHW 101          H43A      SHW 101   5.019   8.908   3.930
  646   H43A  SHW 101          H43B      SHW 101   4.644   9.495   5.518
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1 -17.105  -2.205  -0.079
    2    H2   ALA   1           HT2      ALA   1 -17.482  -1.745   1.486
    3    H3   ALA   1           HT3      ALA   1 -18.026  -3.258   0.875
    4    HA   ALA   1           HA       ALA   1 -15.253  -2.416   1.418
    5    HB1  ALA   1           HB1      ALA   1 -15.281  -4.193   3.090
    6    HB2  ALA   1           HB2      ALA   1 -16.969  -4.537   2.708
    7    HB3  ALA   1           HB3      ALA   1 -16.526  -2.987   3.425
    8    H    ALA   2           HN       ALA   2 -13.671  -4.122   0.990
    9    HA   ALA   2           HA       ALA   2 -14.556  -6.021  -1.048
   10    HB1  ALA   2           HB1      ALA   2 -13.210  -4.255  -2.091
   11    HB2  ALA   2           HB2      ALA   2 -12.291  -5.763  -2.050
   12    HB3  ALA   2           HB3      ALA   2 -11.947  -4.487  -0.884
   13    H    THR   3           HN       THR   3 -12.286  -7.588  -1.128
   14    HA   THR   3           HA       THR   3 -12.419  -8.690   1.536
   15    HB   THR   3           HB       THR   3 -10.946  -9.839  -0.837
   16    HG1  THR   3           HG1      THR   3 -13.013  -9.404  -1.597
   17   HG21  THR   3          HG21      THR   3 -12.482 -10.947   1.471
   18   HG22  THR   3          HG22      THR   3 -10.725 -10.814   1.380
   19   HG23  THR   3          HG23      THR   3 -11.594 -11.910   0.278
   20    H    GLN   4           HN       GLN   4 -10.778  -8.382   2.946
   21    HA   GLN   4           HA       GLN   4  -8.844  -6.399   2.645
   22    HB2  GLN   4           HB2      GLN   4  -8.768  -8.736   4.554
   23    HB3  GLN   4           HB1      GLN   4  -7.880  -7.229   4.722
   24    HG2  GLN   4           HG2      GLN   4  -9.936  -5.999   4.987
   25    HG3  GLN   4           HG1      GLN   4 -10.875  -7.463   4.706
   26   HE21  GLN   4          HE21      GLN   4  -7.940  -7.373   6.613
   27   HE22  GLN   4          HE22      GLN   4  -8.714  -7.702   8.118
   28    H    GLU   5           HN       GLU   5  -8.636  -9.791   2.214
   29    HA   GLU   5           HA       GLU   5  -5.851 -10.116   1.871
   30    HB2  GLU   5           HB2      GLU   5  -8.021 -11.767   0.552
   31    HB3  GLU   5           HB1      GLU   5  -6.356 -12.241   0.809
   32    HG2  GLU   5           HG2      GLU   5  -7.506 -13.405   2.443
   33    HG3  GLU   5           HG1      GLU   5  -6.886 -12.007   3.316
   34    H    GLU   6           HN       GLU   6  -8.404  -9.358  -0.380
   35    HA   GLU   6           HA       GLU   6  -6.698  -9.437  -2.651
   36    HB2  GLU   6           HB2      GLU   6  -9.087  -9.933  -2.814
   37    HB3  GLU   6           HB1      GLU   6  -9.463  -8.293  -2.305
   38    HG2  GLU   6           HG2      GLU   6  -8.528  -7.401  -4.327
   39    HG3  GLU   6           HG1      GLU   6  -7.968  -9.001  -4.818
   40    H    ILE   7           HN       ILE   7  -7.742  -7.072  -0.379
   41    HA   ILE   7           HA       ILE   7  -6.923  -4.733  -1.728
   42    HB   ILE   7           HB       ILE   7  -6.941  -5.305   1.248
   43   HG12  ILE   7          HG12      ILE   7  -9.185  -4.412  -0.593
   44   HG13  ILE   7          HG11      ILE   7  -9.067  -5.855   0.363
   45   HG21  ILE   7          HG21      ILE   7  -7.269  -2.861   1.474
   46   HG22  ILE   7          HG22      ILE   7  -7.133  -2.691  -0.274
   47   HG23  ILE   7          HG23      ILE   7  -5.749  -3.244   0.669
   48   HD11  ILE   7          HD11      ILE   7  -9.293  -3.099   1.520
   49   HD12  ILE   7          HD12      ILE   7  -9.241  -4.617   2.417
   50   HD13  ILE   7          HD13      ILE   7 -10.607  -4.265   1.355
   51    H    VAL   8           HN       VAL   8  -5.338  -6.618   0.844
   52    HA   VAL   8           HA       VAL   8  -2.791  -5.494   0.604
   53    HB   VAL   8           HB       VAL   8  -3.542  -8.301   1.516
   54   HG11  VAL   8          HG11      VAL   8  -1.402  -8.314   2.708
   55   HG12  VAL   8          HG12      VAL   8  -0.988  -6.759   1.971
   56   HG13  VAL   8          HG13      VAL   8  -1.190  -8.193   0.961
   57   HG21  VAL   8          HG21      VAL   8  -3.406  -7.347   3.782
   58   HG22  VAL   8          HG22      VAL   8  -4.628  -6.526   2.801
   59   HG23  VAL   8          HG23      VAL   8  -3.077  -5.764   3.079
   60    H    ALA   9           HN       ALA   9  -4.298  -8.070  -1.275
   61    HA   ALA   9           HA       ALA   9  -1.974  -8.915  -2.600
   62    HB1  ALA   9           HB1      ALA   9  -4.018 -10.265  -2.606
   63    HB2  ALA   9           HB2      ALA   9  -3.485  -9.940  -4.255
   64    HB3  ALA   9           HB3      ALA   9  -4.836  -9.035  -3.570
   65    H    GLY  10           HN       GLY  10  -4.438  -6.482  -3.371
   66    HA2  GLY  10           HA2      GLY  10  -3.435  -5.607  -5.842
   67    HA3  GLY  10           HA1      GLY  10  -4.404  -4.648  -4.729
   68    H    LEU  11           HN       LEU  11  -2.742  -4.583  -2.525
   69    HA   LEU  11           HA       LEU  11  -0.923  -2.562  -3.080
   70    HB2  LEU  11           HB2      LEU  11  -1.227  -4.483  -0.798
   71    HB3  LEU  11           HB1      LEU  11  -0.069  -3.181  -0.771
   72    HG   LEU  11           HG       LEU  11  -3.061  -2.827  -0.993
   73   HD11  LEU  11          HD11      LEU  11  -1.208  -2.455   1.354
   74   HD12  LEU  11          HD12      LEU  11  -2.402  -3.738   1.167
   75   HD13  LEU  11          HD13      LEU  11  -2.927  -2.063   1.319
   76   HD21  LEU  11          HD21      LEU  11  -2.575  -0.476  -0.534
   77   HD22  LEU  11          HD22      LEU  11  -1.785  -1.005  -2.019
   78   HD23  LEU  11          HD23      LEU  11  -0.845  -0.823  -0.537
   79    H    ALA  12           HN       ALA  12  -0.525  -6.028  -2.609
   80    HA   ALA  12           HA       ALA  12   2.236  -6.211  -2.762
   81    HB1  ALA  12           HB1      ALA  12   0.779  -8.015  -2.003
   82    HB2  ALA  12           HB2      ALA  12   1.876  -8.562  -3.270
   83    HB3  ALA  12           HB3      ALA  12   0.184  -8.228  -3.648
   84    H    GLU  13           HN       GLU  13  -0.179  -6.337  -5.320
   85    HA   GLU  13           HA       GLU  13   1.388  -6.820  -7.611
   86    HB2  GLU  13           HB2      GLU  13  -0.878  -4.852  -7.347
   87    HB3  GLU  13           HB1      GLU  13  -0.257  -5.504  -8.852
   88    HG2  GLU  13           HG2      GLU  13  -1.396  -7.159  -6.682
   89    HG3  GLU  13           HG1      GLU  13  -2.384  -6.448  -7.966
   90    H    ILE  14           HN       ILE  14   0.517  -3.849  -6.152
   91    HA   ILE  14           HA       ILE  14   1.855  -2.156  -7.809
   92    HB   ILE  14           HB       ILE  14   0.889  -1.870  -4.973
   93   HG12  ILE  14          HG12      ILE  14  -0.216  -0.808  -7.567
   94   HG13  ILE  14          HG11      ILE  14  -0.706  -2.332  -6.843
   95   HG21  ILE  14          HG21      ILE  14   1.064   0.552  -5.265
   96   HG22  ILE  14          HG22      ILE  14   1.864   0.286  -6.823
   97   HG23  ILE  14          HG23      ILE  14   2.644  -0.242  -5.330
   98   HD11  ILE  14          HD11      ILE  14  -1.010   0.392  -5.612
   99   HD12  ILE  14          HD12      ILE  14  -1.502  -1.156  -4.901
  100   HD13  ILE  14          HD13      ILE  14  -2.281  -0.575  -6.374
  101    H    VAL  15           HN       VAL  15   2.715  -3.341  -4.558
  102    HA   VAL  15           HA       VAL  15   5.234  -2.151  -4.316
  103    HB   VAL  15           HB       VAL  15   4.212  -4.723  -3.078
  104   HG11  VAL  15          HG11      VAL  15   6.662  -4.690  -2.999
  105   HG12  VAL  15          HG12      VAL  15   5.981  -4.450  -1.391
  106   HG13  VAL  15          HG13      VAL  15   6.622  -3.074  -2.292
  107   HG21  VAL  15          HG21      VAL  15   3.846  -3.339  -1.101
  108   HG22  VAL  15          HG22      VAL  15   2.920  -2.767  -2.489
  109   HG23  VAL  15          HG23      VAL  15   4.389  -1.922  -2.001
  110    H    ASN  16           HN       ASN  16   4.318  -5.283  -5.679
  111    HA   ASN  16           HA       ASN  16   6.890  -6.293  -6.099
  112    HB2  ASN  16           HB2      ASN  16   4.697  -7.517  -6.391
  113    HB3  ASN  16           HB1      ASN  16   4.565  -6.733  -7.961
  114   HD21  ASN  16          HD21      ASN  16   7.348  -8.114  -6.267
  115   HD22  ASN  16          HD22      ASN  16   7.802  -9.215  -7.513
  116    H    GLU  17           HN       GLU  17   4.832  -4.294  -8.098
  117    HA   GLU  17           HA       GLU  17   6.564  -4.198 -10.336
  118    HB2  GLU  17           HB2      GLU  17   4.150  -3.814 -10.475
  119    HB3  GLU  17           HB1      GLU  17   4.314  -2.378  -9.484
  120    HG2  GLU  17           HG2      GLU  17   5.618  -1.310 -11.239
  121    HG3  GLU  17           HG1      GLU  17   5.483  -2.762 -12.232
  122    H    ILE  18           HN       ILE  18   5.779  -1.782  -7.865
  123    HA   ILE  18           HA       ILE  18   7.697   0.103  -8.891
  124    HB   ILE  18           HB       ILE  18   5.956   0.226  -6.400
  125   HG12  ILE  18          HG12      ILE  18   5.624   1.583  -9.044
  126   HG13  ILE  18          HG11      ILE  18   4.849   0.028  -8.703
  127   HG21  ILE  18          HG21      ILE  18   6.385   2.618  -6.485
  128   HG22  ILE  18          HG22      ILE  18   7.532   2.368  -7.807
  129   HG23  ILE  18          HG23      ILE  18   7.852   1.680  -6.209
  130   HD11  ILE  18          HD11      ILE  18   3.321   1.876  -8.427
  131   HD12  ILE  18          HD12      ILE  18   4.429   2.654  -7.294
  132   HD13  ILE  18          HD13      ILE  18   3.649   1.131  -6.864
  133    H    ALA  19           HN       ALA  19   7.439  -1.637  -5.776
  134    HA   ALA  19           HA       ALA  19   9.949  -0.607  -4.792
  135    HB1  ALA  19           HB1      ALA  19   9.568  -2.144  -2.931
  136    HB2  ALA  19           HB2      ALA  19   8.194  -2.847  -3.792
  137    HB3  ALA  19           HB3      ALA  19   8.144  -1.164  -3.275
  138    H    GLY  20           HN       GLY  20   8.730  -3.482  -6.378
  139    HA2  GLY  20           HA2      GLY  20   9.943  -5.018  -7.661
  140    HA3  GLY  20           HA1      GLY  20  11.437  -4.436  -6.947
  141    H    ILE  21           HN       ILE  21   8.983  -5.015  -4.735
  142    HA   ILE  21           HA       ILE  21  10.472  -7.309  -3.713
  143    HB   ILE  21           HB       ILE  21   8.355  -5.590  -2.379
  144   HG12  ILE  21          HG12      ILE  21  10.413  -4.352  -2.736
  145   HG13  ILE  21          HG11      ILE  21  10.225  -4.714  -1.025
  146   HG21  ILE  21          HG21      ILE  21  10.056  -7.772  -1.180
  147   HG22  ILE  21          HG22      ILE  21   8.313  -7.831  -1.446
  148   HG23  ILE  21          HG23      ILE  21   8.987  -6.691  -0.283
  149   HD11  ILE  21          HD11      ILE  21  12.034  -6.166  -2.955
  150   HD12  ILE  21          HD12      ILE  21  11.845  -6.542  -1.242
  151   HD13  ILE  21          HD13      ILE  21  12.536  -4.995  -1.734
  152    HA   PRO  22           HA       PRO  22   7.674 -10.629  -5.068
  153    HB2  PRO  22           HB2      PRO  22   7.880 -11.451  -2.296
  154    HB3  PRO  22           HB1      PRO  22   8.464 -12.260  -3.751
  155    HG2  PRO  22           HG2      PRO  22   9.922 -10.568  -1.873
  156    HG3  PRO  22           HG1      PRO  22  10.556 -11.624  -3.145
  157    HD2  PRO  22           HD2      PRO  22  10.733  -8.931  -3.324
  158    HD3  PRO  22           HD1      PRO  22  10.447  -9.979  -4.743
  159    H    VAL  23           HN       VAL  23   5.687 -10.507  -5.341
  160    HA   VAL  23           HA       VAL  23   3.707  -9.049  -4.068
  161    HB   VAL  23           HB       VAL  23   3.440 -11.787  -5.369
  162   HG11  VAL  23          HG11      VAL  23   1.339  -9.670  -4.970
  163   HG12  VAL  23          HG12      VAL  23   1.430 -11.230  -4.150
  164   HG13  VAL  23          HG13      VAL  23   1.135 -11.163  -5.888
  165   HG21  VAL  23          HG21      VAL  23   4.519 -10.232  -6.874
  166   HG22  VAL  23          HG22      VAL  23   3.230  -9.059  -6.618
  167   HG23  VAL  23          HG23      VAL  23   2.883 -10.590  -7.429
  168    H    GLU  24           HN       GLU  24   5.048 -12.135  -3.385
  169    HA   GLU  24           HA       GLU  24   3.075 -12.563  -1.421
  170    HB2  GLU  24           HB2      GLU  24   5.063 -14.515  -2.496
  171    HB3  GLU  24           HB1      GLU  24   3.886 -14.909  -1.244
  172    HG2  GLU  24           HG2      GLU  24   2.074 -14.258  -2.760
  173    HG3  GLU  24           HG1      GLU  24   3.271 -13.937  -4.016
  174    H    ASP  25           HN       ASP  25   5.933 -11.110  -1.326
  175    HA   ASP  25           HA       ASP  25   6.577 -12.022   1.383
  176    HB2  ASP  25           HB2      ASP  25   8.422 -11.394  -0.285
  177    HB3  ASP  25           HB1      ASP  25   7.878  -9.726  -0.119
  178    H    VAL  26           HN       VAL  26   4.718  -9.927  -0.311
  179    HA   VAL  26           HA       VAL  26   4.499  -7.760   1.569
  180    HB   VAL  26           HB       VAL  26   2.822  -8.490  -0.864
  181   HG11  VAL  26          HG11      VAL  26   2.041  -6.224  -0.829
  182   HG12  VAL  26          HG12      VAL  26   2.928  -5.906   0.679
  183   HG13  VAL  26          HG13      VAL  26   1.584  -7.072   0.649
  184   HG21  VAL  26          HG21      VAL  26   4.062  -6.718  -1.998
  185   HG22  VAL  26          HG22      VAL  26   5.126  -8.013  -1.443
  186   HG23  VAL  26          HG23      VAL  26   5.047  -6.491  -0.553
  187    H    LYS  27           HN       LYS  27   4.163  -9.328   3.263
  188    HA   LYS  27           HA       LYS  27   1.506 -10.521   3.582
  189    HB2  LYS  27           HB2      LYS  27   3.534 -10.176   5.750
  190    HB3  LYS  27           HB1      LYS  27   2.295 -11.379   5.578
  191    HG2  LYS  27           HG2      LYS  27   3.439 -12.499   3.814
  192    HG3  LYS  27           HG1      LYS  27   4.688 -11.258   3.775
  193    HD2  LYS  27           HD2      LYS  27   5.278 -11.821   6.102
  194    HD3  LYS  27           HD1      LYS  27   4.067 -13.107   6.075
  195    HE2  LYS  27           HE2      LYS  27   5.229 -14.165   4.242
  196    HE3  LYS  27           HE1      LYS  27   6.447 -12.886   4.262
  197    HZ1  LYS  27           HZ1      LYS  27   5.861 -14.803   6.440
  198    HZ2  LYS  27           HZ2      LYS  27   6.995 -13.553   6.552
  199    HZ3  LYS  27           HZ3      LYS  27   7.233 -14.825   5.438
  200    H    LEU  28           HN       LEU  28   0.759 -10.010   5.957
  201    HA   LEU  28           HA       LEU  28  -0.047  -7.188   5.623
  202    HB2  LEU  28           HB2      LEU  28  -1.667  -9.176   5.837
  203    HB3  LEU  28           HB1      LEU  28  -1.249  -9.157   7.531
  204    HG   LEU  28           HG       LEU  28  -2.276  -6.653   6.304
  205   HD11  LEU  28          HD11      LEU  28  -4.577  -7.446   6.687
  206   HD12  LEU  28          HD12      LEU  28  -3.921  -9.047   7.089
  207   HD13  LEU  28          HD13      LEU  28  -3.717  -8.389   5.461
  208   HD21  LEU  28          HD21      LEU  28  -1.603  -6.682   8.673
  209   HD22  LEU  28          HD22      LEU  28  -2.751  -7.987   8.986
  210   HD23  LEU  28          HD23      LEU  28  -3.331  -6.390   8.497
  211    H    ASP  29           HN       ASP  29   2.226  -8.632   7.342
  212    HA   ASP  29           HA       ASP  29   1.972  -6.744   9.544
  213    HB2  ASP  29           HB2      ASP  29   3.778  -7.894  10.514
  214    HB3  ASP  29           HB1      ASP  29   2.550  -9.071  10.061
  215    H    LYS  30           HN       LYS  30   3.076  -6.747   6.528
  216    HA   LYS  30           HA       LYS  30   5.779  -5.791   6.859
  217    HB2  LYS  30           HB2      LYS  30   3.991  -5.947   4.454
  218    HB3  LYS  30           HB1      LYS  30   5.672  -5.444   4.399
  219    HG2  LYS  30           HG2      LYS  30   4.824  -8.090   5.534
  220    HG3  LYS  30           HG1      LYS  30   5.147  -7.859   3.819
  221    HD2  LYS  30           HD2      LYS  30   7.419  -7.162   4.317
  222    HD3  LYS  30           HD1      LYS  30   7.101  -7.305   6.049
  223    HE2  LYS  30           HE2      LYS  30   6.926  -9.645   5.934
  224    HE3  LYS  30           HE1      LYS  30   6.722  -9.625   4.187
  225    HZ1  LYS  30           HZ1      LYS  30   8.903 -10.388   4.962
  226    HZ2  LYS  30           HZ2      LYS  30   9.240  -8.852   5.565
  227    HZ3  LYS  30           HZ3      LYS  30   8.985  -9.108   3.883
  228    H    SER  31           HN       SER  31   6.407  -3.794   7.351
  229    HA   SER  31           HA       SER  31   4.556  -1.550   7.133
  230    HB2  SER  31           HB2      SER  31   6.407  -2.196   9.045
  231    HB3  SER  31           HB1      SER  31   7.370  -1.202   7.999
  232    HG   SER  31           HG       SER  31   5.334   0.263   8.175
  233    H    PHE  32           HN       PHE  32   5.433  -2.572   4.594
  234    HA   PHE  32           HA       PHE  32   6.353  -2.027   2.615
  235    HB2  PHE  32           HB2      PHE  32   5.569   0.669   3.651
  236    HB3  PHE  32           HB1      PHE  32   6.195   0.482   2.027
  237    HD1  PHE  32           HD1      PHE  32   4.944  -1.484   0.677
  238    HD2  PHE  32           HD2      PHE  32   3.347   0.672   3.963
  239    HE1  PHE  32           HE1      PHE  32   2.669  -2.051  -0.060
  240    HE2  PHE  32           HE2      PHE  32   1.076   0.124   3.234
  241    HZ   PHE  32           HZ       PHE  32   0.752  -1.276   1.164
  242    H    THR  33           HN       THR  33   7.625   1.063   3.564
  243    HA   THR  33           HA       THR  33  10.171   0.574   2.586
  244    HB   THR  33           HB       THR  33  10.150   2.835   4.208
  245    HG1  THR  33           HG1      THR  33   7.987   3.228   4.397
  246   HG21  THR  33          HG21      THR  33  11.082   2.608   1.975
  247   HG22  THR  33          HG22      THR  33   9.892   3.930   1.999
  248   HG23  THR  33          HG23      THR  33   9.476   2.358   1.313
  249    H    ASP  34           HN       ASP  34   9.602  -1.221   4.778
  250    HA   ASP  34           HA       ASP  34  11.987  -0.668   6.325
  251    HB2  ASP  34           HB2      ASP  34  10.300   0.200   7.791
  252    HB3  ASP  34           HB1      ASP  34   9.314  -1.248   7.612
  253    H    ASP  35           HN       ASP  35   9.374  -3.052   6.551
  254    HA   ASP  35           HA       ASP  35  11.316  -5.145   6.821
  255    HB2  ASP  35           HB2      ASP  35   8.784  -4.967   7.754
  256    HB3  ASP  35           HB1      ASP  35   8.493  -5.814   6.263
  257    H    LEU  36           HN       LEU  36   9.065  -4.171   4.290
  258    HA   LEU  36           HA       LEU  36   9.824  -6.240   2.437
  259    HB2  LEU  36           HB2      LEU  36   8.495  -3.555   1.988
  260    HB3  LEU  36           HB1      LEU  36   8.706  -4.771   0.752
  261    HG   LEU  36           HG       LEU  36   7.041  -5.166   3.240
  262   HD11  LEU  36          HD11      LEU  36   5.122  -4.855   1.755
  263   HD12  LEU  36          HD12      LEU  36   6.210  -4.465   0.420
  264   HD13  LEU  36          HD13      LEU  36   6.112  -3.396   1.820
  265   HD21  LEU  36          HD21      LEU  36   7.905  -7.210   2.225
  266   HD22  LEU  36          HD22      LEU  36   7.237  -6.716   0.664
  267   HD23  LEU  36          HD23      LEU  36   6.162  -7.058   2.024
  268    H    ASP  37           HN       ASP  37  10.361  -2.803   2.745
  269    HA   ASP  37           HA       ASP  37  11.989  -1.415   2.376
  270    HB2  ASP  37           HB2      ASP  37  13.685  -3.184   2.963
  271    HB3  ASP  37           HB1      ASP  37  13.754  -3.608   1.253
  272    H    VAL  38           HN       VAL  38  11.007  -0.272   1.098
  273    HA   VAL  38           HA       VAL  38  10.683  -1.038  -1.695
  274    HB   VAL  38           HB       VAL  38   9.414   1.234  -0.072
  275   HG11  VAL  38          HG11      VAL  38   9.569   1.870  -2.431
  276   HG12  VAL  38          HG12      VAL  38   7.895   1.571  -1.959
  277   HG13  VAL  38          HG13      VAL  38   8.779   0.364  -2.893
  278   HG21  VAL  38          HG21      VAL  38   8.237  -1.359  -1.059
  279   HG22  VAL  38          HG22      VAL  38   7.353  -0.071  -0.243
  280   HG23  VAL  38          HG23      VAL  38   8.620  -0.951   0.615
  281    H    ASP  39           HN       ASP  39  10.870   2.246  -0.543
  282    HA   ASP  39           HA       ASP  39  13.448   2.972  -0.750
  283    HB2  ASP  39           HB2      ASP  39  12.983   2.378  -3.361
  284    HB3  ASP  39           HB1      ASP  39  11.991   3.844  -3.161
  285    H    SER  40           HN       SER  40  13.260   5.400  -1.261
  286    HA   SER  40           HA       SER  40  11.084   6.161   0.519
  287    HB2  SER  40           HB2      SER  40  13.594   6.757   0.890
  288    HB3  SER  40           HB1      SER  40  13.322   8.001  -0.330
  289    H    LEU  41           HN       LEU  41  12.285   6.617  -2.712
  290    HA   LEU  41           HA       LEU  41  10.396   8.755  -3.263
  291    HB2  LEU  41           HB2      LEU  41  12.327   7.326  -5.082
  292    HB3  LEU  41           HB1      LEU  41  11.345   8.701  -5.538
  293    HG   LEU  41           HG       LEU  41  13.545   8.713  -3.470
  294   HD11  LEU  41          HD11      LEU  41  14.719  10.112  -5.086
  295   HD12  LEU  41          HD12      LEU  41  13.401   9.896  -6.235
  296   HD13  LEU  41          HD13      LEU  41  14.375   8.511  -5.739
  297   HD21  LEU  41          HD21      LEU  41  13.214  11.139  -3.431
  298   HD22  LEU  41          HD22      LEU  41  11.756  10.292  -2.911
  299   HD23  LEU  41          HD23      LEU  41  11.848  10.977  -4.535
  300    H    SER  42           HN       SER  42  10.778   5.315  -3.824
  301    HA   SER  42           HA       SER  42   8.810   5.083  -5.819
  302    HB2  SER  42           HB2      SER  42   9.966   2.986  -3.989
  303    HB3  SER  42           HB1      SER  42   9.304   2.766  -5.612
  304    HG   SER  42           HG       SER  42  10.948   4.083  -6.403
  305    H    MET  43           HN       MET  43   8.727   5.493  -2.479
  306    HA   MET  43           HA       MET  43   6.521   3.943  -1.709
  307    HB2  MET  43           HB2      MET  43   8.091   4.912  -0.146
  308    HB3  MET  43           HB1      MET  43   7.549   6.531  -0.573
  309    HG2  MET  43           HG2      MET  43   6.629   5.616   1.532
  310    HG3  MET  43           HG1      MET  43   5.429   6.166   0.350
  311    HE1  MET  43           HE1      MET  43   7.307   2.984   1.715
  312    HE2  MET  43           HE2      MET  43   7.486   2.936  -0.030
  313    HE3  MET  43           HE3      MET  43   6.508   1.706   0.791
  314    H    VAL  44           HN       VAL  44   6.814   7.207  -3.048
  315    HA   VAL  44           HA       VAL  44   4.080   7.851  -2.620
  316    HB   VAL  44           HB       VAL  44   6.057   9.244  -4.465
  317   HG11  VAL  44          HG11      VAL  44   3.488  10.238  -3.226
  318   HG12  VAL  44          HG12      VAL  44   3.734   9.849  -4.927
  319   HG13  VAL  44          HG13      VAL  44   4.603  11.203  -4.197
  320   HG21  VAL  44          HG21      VAL  44   5.389   9.801  -1.580
  321   HG22  VAL  44          HG22      VAL  44   6.420  10.797  -2.607
  322   HG23  VAL  44          HG23      VAL  44   6.910   9.154  -2.191
  323    H    GLU  45           HN       GLU  45   5.821   6.114  -5.048
  324    HA   GLU  45           HA       GLU  45   3.936   6.501  -7.135
  325    HB2  GLU  45           HB2      GLU  45   5.934   4.269  -6.723
  326    HB3  GLU  45           HB1      GLU  45   5.173   4.730  -8.238
  327    HG2  GLU  45           HG2      GLU  45   7.097   6.418  -6.656
  328    HG3  GLU  45           HG1      GLU  45   7.491   5.484  -8.095
  329    H    VAL  46           HN       VAL  46   4.510   4.243  -4.527
  330    HA   VAL  46           HA       VAL  46   2.511   2.322  -5.072
  331    HB   VAL  46           HB       VAL  46   3.490   3.288  -2.350
  332   HG11  VAL  46          HG11      VAL  46   2.784   1.088  -1.520
  333   HG12  VAL  46          HG12      VAL  46   2.138   0.697  -3.113
  334   HG13  VAL  46          HG13      VAL  46   1.426   2.006  -2.168
  335   HG21  VAL  46          HG21      VAL  46   5.036   1.379  -2.423
  336   HG22  VAL  46          HG22      VAL  46   5.346   2.529  -3.723
  337   HG23  VAL  46          HG23      VAL  46   4.503   1.022  -4.069
  338    H    VAL  47           HN       VAL  47   2.464   5.297  -3.187
  339    HA   VAL  47           HA       VAL  47  -0.201   5.428  -2.406
  340    HB   VAL  47           HB       VAL  47   1.587   7.693  -3.348
  341   HG11  VAL  47          HG11      VAL  47  -0.893   7.814  -1.629
  342   HG12  VAL  47          HG12      VAL  47  -0.753   8.391  -3.281
  343   HG13  VAL  47          HG13      VAL  47   0.174   9.170  -1.999
  344   HG21  VAL  47          HG21      VAL  47   1.122   6.599  -0.581
  345   HG22  VAL  47          HG22      VAL  47   2.091   8.018  -0.977
  346   HG23  VAL  47          HG23      VAL  47   2.589   6.424  -1.545
  347    H    VAL  48           HN       VAL  48   1.184   7.083  -5.238
  348    HA   VAL  48           HA       VAL  48  -1.063   7.889  -6.579
  349    HB   VAL  48           HB       VAL  48   1.487   6.820  -7.847
  350   HG11  VAL  48          HG11      VAL  48  -0.627   8.623  -9.036
  351   HG12  VAL  48          HG12      VAL  48  -0.312   6.953  -9.499
  352   HG13  VAL  48          HG13      VAL  48   0.907   8.194  -9.796
  353   HG21  VAL  48          HG21      VAL  48   2.161   9.176  -7.946
  354   HG22  VAL  48          HG22      VAL  48   1.898   8.641  -6.286
  355   HG23  VAL  48          HG23      VAL  48   0.684   9.632  -7.098
  356    H    ALA  49           HN       ALA  49   0.550   4.745  -7.064
  357    HA   ALA  49           HA       ALA  49  -1.296   3.754  -8.930
  358    HB1  ALA  49           HB1      ALA  49   0.961   2.834  -8.659
  359    HB2  ALA  49           HB2      ALA  49  -0.276   1.582  -8.553
  360    HB3  ALA  49           HB3      ALA  49   0.495   2.187  -7.087
  361    H    ALA  50           HN       ALA  50  -1.202   3.512  -5.391
  362    HA   ALA  50           HA       ALA  50  -3.207   1.585  -5.127
  363    HB1  ALA  50           HB1      ALA  50  -1.697   2.181  -3.297
  364    HB2  ALA  50           HB2      ALA  50  -3.386   2.295  -2.798
  365    HB3  ALA  50           HB3      ALA  50  -2.473   3.760  -3.167
  366    H    GLU  51           HN       GLU  51  -3.369   5.127  -5.178
  367    HA   GLU  51           HA       GLU  51  -6.053   5.541  -4.617
  368    HB2  GLU  51           HB2      GLU  51  -4.343   7.032  -6.596
  369    HB3  GLU  51           HB1      GLU  51  -5.804   7.618  -5.824
  370    HG2  GLU  51           HG2      GLU  51  -4.711   7.608  -3.675
  371    HG3  GLU  51           HG1      GLU  51  -3.270   6.912  -4.377
  372    H    GLU  52           HN       GLU  52  -4.458   4.652  -7.556
  373    HA   GLU  52           HA       GLU  52  -6.800   4.865  -9.211
  374    HB2  GLU  52           HB2      GLU  52  -4.608   5.380 -10.101
  375    HB3  GLU  52           HB1      GLU  52  -4.047   3.761  -9.720
  376    HG2  GLU  52           HG2      GLU  52  -5.690   2.858 -11.300
  377    HG3  GLU  52           HG1      GLU  52  -6.146   4.508 -11.734
  378    H    ARG  53           HN       ARG  53  -4.806   2.237  -7.889
  379    HA   ARG  53           HA       ARG  53  -5.987   0.123  -9.345
  380    HB2  ARG  53           HB2      ARG  53  -3.734   0.099  -8.247
  381    HB3  ARG  53           HB1      ARG  53  -4.544  -0.018  -6.696
  382    HG2  ARG  53           HG2      ARG  53  -3.781  -2.197  -7.346
  383    HG3  ARG  53           HG1      ARG  53  -5.545  -2.170  -7.445
  384    HD2  ARG  53           HD2      ARG  53  -5.427  -1.817  -9.838
  385    HD3  ARG  53           HD1      ARG  53  -3.669  -1.754  -9.764
  386    HE   ARG  53           HE       ARG  53  -5.040  -4.176  -8.882
  387   HH11  ARG  53          HH11      ARG  53  -2.675  -2.660 -11.015
  388   HH12  ARG  53          HH12      ARG  53  -2.480  -4.040 -12.013
  389   HH21  ARG  53          HH21      ARG  53  -4.747  -6.077 -10.196
  390   HH22  ARG  53          HH22      ARG  53  -3.642  -6.041 -11.501
  391    H    PHE  54           HN       PHE  54  -6.590   1.532  -6.230
  392    HA   PHE  54           HA       PHE  54  -8.626  -0.472  -5.644
  393    HB2  PHE  54           HB2      PHE  54  -7.338   1.660  -3.964
  394    HB3  PHE  54           HB1      PHE  54  -8.556   0.541  -3.396
  395    HD1  PHE  54           HD2      PHE  54  -5.123   0.741  -4.768
  396    HD2  PHE  54           HD1      PHE  54  -7.919  -1.584  -2.579
  397    HE1  PHE  54           HE2      PHE  54  -3.364  -0.901  -4.228
  398    HE2  PHE  54           HE1      PHE  54  -6.156  -3.193  -2.035
  399    HZ   PHE  54           HZ       PHE  54  -3.840  -2.724  -2.691
  400    H    ASP  55           HN       ASP  55  -8.364   2.534  -7.041
  401    HA   ASP  55           HA       ASP  55  -9.706   4.240  -7.590
  402    HB2  ASP  55           HB2      ASP  55 -11.865   2.242  -6.927
  403    HB3  ASP  55           HB1      ASP  55 -12.243   3.861  -7.499
  404    H    VAL  56           HN       VAL  56  -8.938   3.784  -4.737
  405    HA   VAL  56           HA       VAL  56 -10.854   5.645  -3.557
  406    HB   VAL  56           HB       VAL  56 -10.787   3.591  -2.282
  407   HG11  VAL  56          HG11      VAL  56  -8.766   2.753  -1.178
  408   HG12  VAL  56          HG12      VAL  56  -7.818   3.981  -2.020
  409   HG13  VAL  56          HG13      VAL  56  -8.635   2.716  -2.936
  410   HG21  VAL  56          HG21      VAL  56 -10.139   4.415  -0.071
  411   HG22  VAL  56          HG22      VAL  56 -11.041   5.618  -0.995
  412   HG23  VAL  56          HG23      VAL  56  -9.290   5.763  -0.831
  413    H    LYS  57           HN       LYS  57 -10.211   7.572  -3.219
  414    HA   LYS  57           HA       LYS  57  -7.603   8.437  -4.032
  415    HB2  LYS  57           HB2      LYS  57  -9.624   9.803  -4.425
  416    HB3  LYS  57           HB1      LYS  57  -9.853   9.964  -2.693
  417    HG2  LYS  57           HG2      LYS  57  -8.889  11.987  -3.609
  418    HG3  LYS  57           HG1      LYS  57  -7.723  11.193  -2.546
  419    HD2  LYS  57           HD2      LYS  57  -6.612  10.223  -4.497
  420    HD3  LYS  57           HD1      LYS  57  -7.779  11.014  -5.554
  421    HE2  LYS  57           HE2      LYS  57  -5.839  12.405  -3.708
  422    HE3  LYS  57           HE1      LYS  57  -5.651  12.229  -5.449
  423    HZ1  LYS  57           HZ1      LYS  57  -7.802  13.484  -5.656
  424    HZ2  LYS  57           HZ2      LYS  57  -6.508  14.361  -5.107
  425    HZ3  LYS  57           HZ3      LYS  57  -7.671  13.861  -4.000
  426    H    ILE  58           HN       ILE  58  -5.998   7.833  -2.786
  427    HA   ILE  58           HA       ILE  58  -6.066   8.696   0.025
  428    HB   ILE  58           HB       ILE  58  -4.258   6.498  -0.975
  429   HG12  ILE  58          HG12      ILE  58  -6.943   6.053   0.334
  430   HG13  ILE  58          HG11      ILE  58  -6.645   5.837  -1.382
  431   HG21  ILE  58          HG21      ILE  58  -3.657   7.539   1.145
  432   HG22  ILE  58          HG22      ILE  58  -4.252   5.908   1.452
  433   HG23  ILE  58          HG23      ILE  58  -5.296   7.291   1.758
  434   HD11  ILE  58          HD11      ILE  58  -6.596   3.719  -0.204
  435   HD12  ILE  58          HD12      ILE  58  -5.288   4.313   0.827
  436   HD13  ILE  58          HD13      ILE  58  -5.030   4.117  -0.912
  437    HA   PRO  59           HA       PRO  59  -2.815  10.885  -2.342
  438    HB2  PRO  59           HB2      PRO  59  -2.977  13.207  -0.947
  439    HB3  PRO  59           HB1      PRO  59  -4.053  12.840  -2.301
  440    HG2  PRO  59           HG2      PRO  59  -4.562  12.634   0.635
  441    HG3  PRO  59           HG1      PRO  59  -5.633  13.219  -0.651
  442    HD2  PRO  59           HD2      PRO  59  -5.821  10.732   0.431
  443    HD3  PRO  59           HD1      PRO  59  -6.283  11.101  -1.241
  444    H    ASP  60           HN       ASP  60  -0.733  11.662  -1.587
  445    HA   ASP  60           HA       ASP  60   0.511  10.156   0.318
  446    HB2  ASP  60           HB2      ASP  60   2.403  11.716   0.282
  447    HB3  ASP  60           HB1      ASP  60   1.765  11.482  -1.337
  448    H    ASP  61           HN       ASP  61  -1.220  13.126   0.820
  449    HA   ASP  61           HA       ASP  61  -0.445  13.779   3.414
  450    HB2  ASP  61           HB2      ASP  61  -1.763  15.249   1.967
  451    HB3  ASP  61           HB1      ASP  61  -3.139  14.166   2.112
  452    H    ASP  62           HN       ASP  62  -3.250  11.753   2.389
  453    HA   ASP  62           HA       ASP  62  -3.971  11.000   5.094
  454    HB2  ASP  62           HB2      ASP  62  -4.809   9.962   2.385
  455    HB3  ASP  62           HB1      ASP  62  -5.350   9.217   3.876
  456    H    VAL  63           HN       VAL  63  -2.047   9.768   2.596
  457    HA   VAL  63           HA       VAL  63  -1.669   7.190   3.530
  458    HB   VAL  63           HB       VAL  63  -0.224   9.022   1.714
  459   HG11  VAL  63          HG11      VAL  63   1.617   7.810   2.831
  460   HG12  VAL  63          HG12      VAL  63   1.435   7.254   1.164
  461   HG13  VAL  63          HG13      VAL  63   0.806   6.279   2.494
  462   HG21  VAL  63          HG21      VAL  63  -2.113   7.875   0.893
  463   HG22  VAL  63          HG22      VAL  63  -1.440   6.318   1.374
  464   HG23  VAL  63          HG23      VAL  63  -0.673   7.254   0.090
  465    H    LYS  64           HN       LYS  64  -0.474  10.153   4.751
  466    HA   LYS  64           HA       LYS  64   1.750   9.095   6.101
  467    HB2  LYS  64           HB2      LYS  64   0.268  11.646   6.695
  468    HB3  LYS  64           HB1      LYS  64   1.833  11.206   7.366
  469    HG2  LYS  64           HG2      LYS  64   2.722  11.098   5.058
  470    HG3  LYS  64           HG1      LYS  64   1.170  11.692   4.483
  471    HD2  LYS  64           HD2      LYS  64   3.023  13.162   6.369
  472    HD3  LYS  64           HD1      LYS  64   2.882  13.442   4.638
  473    HE2  LYS  64           HE2      LYS  64   1.627  15.158   5.652
  474    HE3  LYS  64           HE1      LYS  64   0.444  13.998   5.068
  475    HZ1  LYS  64           HZ1      LYS  64  -0.001  14.912   7.266
  476    HZ2  LYS  64           HZ2      LYS  64   1.385  14.177   7.880
  477    HZ3  LYS  64           HZ3      LYS  64   0.093  13.227   7.330
  478    H    ASN  65           HN       ASN  65  -1.337   8.316   6.675
  479    HA   ASN  65           HA       ASN  65  -1.049   8.133   9.579
  480    HB2  ASN  65           HB2      ASN  65  -3.074   9.379   8.773
  481    HB3  ASN  65           HB1      ASN  65  -3.552   7.964   7.851
  482   HD21  ASN  65          HD21      ASN  65  -5.535   7.863   8.952
  483   HD22  ASN  65          HD22      ASN  65  -5.655   7.311  10.571
  484    H    LEU  66           HN       LEU  66  -0.796   6.635   6.632
  485    HA   LEU  66           HA       LEU  66  -1.483   3.943   7.553
  486    HB2  LEU  66           HB2      LEU  66  -0.560   4.877   4.828
  487    HB3  LEU  66           HB1      LEU  66  -1.244   3.323   5.240
  488    HG   LEU  66           HG       LEU  66  -2.723   5.955   5.098
  489   HD11  LEU  66          HD11      LEU  66  -2.138   5.037   2.937
  490   HD12  LEU  66          HD12      LEU  66  -3.877   4.905   3.224
  491   HD13  LEU  66          HD13      LEU  66  -2.840   3.487   3.399
  492   HD21  LEU  66          HD21      LEU  66  -4.753   4.631   5.454
  493   HD22  LEU  66          HD22      LEU  66  -3.678   4.543   6.853
  494   HD23  LEU  66          HD23      LEU  66  -3.772   3.196   5.717
  495    H    LYS  67           HN       LYS  67   0.122   2.501   7.589
  496    HA   LYS  67           HA       LYS  67   2.824   3.319   6.954
  497    HB2  LYS  67           HB2      LYS  67   3.596   2.617   9.347
  498    HB3  LYS  67           HB1      LYS  67   2.980   4.228   9.042
  499    HG2  LYS  67           HG2      LYS  67   2.059   3.441  11.094
  500    HG3  LYS  67           HG1      LYS  67   0.785   3.519   9.866
  501    HD2  LYS  67           HD2      LYS  67   0.953   1.095   9.545
  502    HD3  LYS  67           HD1      LYS  67   2.292   1.018  10.684
  503    HE2  LYS  67           HE2      LYS  67  -0.538   1.823  11.312
  504    HE3  LYS  67           HE1      LYS  67   0.200   0.271  11.690
  505    HZ1  LYS  67           HZ1      LYS  67   0.917   2.921  12.855
  506    HZ2  LYS  67           HZ2      LYS  67   1.808   1.496  13.102
  507    HZ3  LYS  67           HZ3      LYS  67   0.201   1.582  13.611
  508    H    THR  68           HN       THR  68   0.617   0.828   7.187
  509    HA   THR  68           HA       THR  68   2.719  -0.997   6.418
  510    HB   THR  68           HB       THR  68   1.391  -2.841   7.511
  511    HG1  THR  68           HG1      THR  68  -0.021  -2.356   9.104
  512   HG21  THR  68          HG21      THR  68   3.490  -2.146   8.466
  513   HG22  THR  68          HG22      THR  68   2.345  -2.542   9.747
  514   HG23  THR  68          HG23      THR  68   2.697  -0.846   9.363
  515    H    VAL  69           HN       VAL  69   1.702  -2.902   5.435
  516    HA   VAL  69           HA       VAL  69  -0.021  -2.312   3.323
  517    HB   VAL  69           HB       VAL  69  -0.287  -4.916   3.345
  518   HG11  VAL  69          HG11      VAL  69   1.342  -3.684   1.908
  519   HG12  VAL  69          HG12      VAL  69   2.019  -5.201   2.507
  520   HG13  VAL  69          HG13      VAL  69   2.479  -3.672   3.254
  521   HG21  VAL  69          HG21      VAL  69   1.424  -6.027   4.660
  522   HG22  VAL  69          HG22      VAL  69   0.202  -5.247   5.650
  523   HG23  VAL  69          HG23      VAL  69   1.794  -4.500   5.455
  524    H    GLY  70           HN       GLY  70  -0.657  -3.988   6.402
  525    HA2  GLY  70           HA2      GLY  70  -3.408  -4.322   6.063
  526    HA3  GLY  70           HA1      GLY  70  -2.549  -4.325   7.598
  527    H    ASP  71           HN       ASP  71  -1.527  -1.580   7.296
  528    HA   ASP  71           HA       ASP  71  -3.763  -0.233   8.436
  529    HB2  ASP  71           HB2      ASP  71  -1.187   0.263   8.786
  530    HB3  ASP  71           HB1      ASP  71  -1.391   1.247   7.348
  531    H    ALA  72           HN       ALA  72  -2.055  -0.044   5.348
  532    HA   ALA  72           HA       ALA  72  -3.585   1.929   4.105
  533    HB1  ALA  72           HB1      ALA  72  -1.515   1.031   3.125
  534    HB2  ALA  72           HB2      ALA  72  -2.852   0.915   1.983
  535    HB3  ALA  72           HB3      ALA  72  -2.314  -0.520   2.861
  536    H    THR  73           HN       THR  73  -3.947  -1.615   3.892
  537    HA   THR  73           HA       THR  73  -6.359  -1.908   2.776
  538    HB   THR  73           HB       THR  73  -5.240  -3.387   5.156
  539    HG1  THR  73           HG1      THR  73  -3.786  -3.539   3.528
  540   HG21  THR  73          HG21      THR  73  -7.271  -4.229   3.079
  541   HG22  THR  73          HG22      THR  73  -7.621  -3.887   4.767
  542   HG23  THR  73          HG23      THR  73  -6.609  -5.276   4.341
  543    H    LYS  74           HN       LYS  74  -5.819  -1.245   6.276
  544    HA   LYS  74           HA       LYS  74  -8.485  -1.354   7.095
  545    HB2  LYS  74           HB2      LYS  74  -6.484  -1.340   8.587
  546    HB3  LYS  74           HB1      LYS  74  -6.276   0.367   8.242
  547    HG2  LYS  74           HG2      LYS  74  -7.321   0.039  10.405
  548    HG3  LYS  74           HG1      LYS  74  -8.442   0.833   9.296
  549    HD2  LYS  74           HD2      LYS  74  -9.585  -1.264   8.897
  550    HD3  LYS  74           HD1      LYS  74  -8.412  -2.127   9.894
  551    HE2  LYS  74           HE2      LYS  74 -10.473  -1.745  11.129
  552    HE3  LYS  74           HE1      LYS  74  -9.141  -0.849  11.849
  553    HZ1  LYS  74           HZ1      LYS  74 -11.189   0.404  11.727
  554    HZ2  LYS  74           HZ2      LYS  74 -11.210   0.338  10.047
  555    HZ3  LYS  74           HZ3      LYS  74  -9.964   1.169  10.875
  556    H    TYR  75           HN       TYR  75  -6.766   1.171   5.459
  557    HA   TYR  75           HA       TYR  75  -8.802   3.181   5.893
  558    HB2  TYR  75           HB2      TYR  75  -6.378   3.732   5.613
  559    HB3  TYR  75           HB1      TYR  75  -6.460   3.129   3.968
  560    HD1  TYR  75           HD2      TYR  75  -7.781   4.413   2.258
  561    HD2  TYR  75           HD1      TYR  75  -7.108   5.915   6.178
  562    HE1  TYR  75           HE2      TYR  75  -8.374   6.672   1.494
  563    HE2  TYR  75           HE1      TYR  75  -7.690   8.177   5.406
  564    HH   TYR  75           HH       TYR  75  -7.828   9.455   3.432
  565    H    ILE  76           HN       ILE  76  -7.534   1.278   3.212
  566    HA   ILE  76           HA       ILE  76  -9.326   2.033   1.213
  567    HB   ILE  76           HB       ILE  76  -7.790  -0.554   1.517
  568   HG12  ILE  76          HG12      ILE  76  -7.063   1.963   0.007
  569   HG13  ILE  76          HG11      ILE  76  -6.434   1.541   1.593
  570   HG21  ILE  76          HG21      ILE  76  -8.991   0.757  -0.932
  571   HG22  ILE  76          HG22      ILE  76  -9.596  -0.698  -0.141
  572   HG23  ILE  76          HG23      ILE  76  -8.014  -0.714  -0.927
  573   HD11  ILE  76          HD11      ILE  76  -5.402  -0.446   0.652
  574   HD12  ILE  76          HD12      ILE  76  -4.846   1.024  -0.159
  575   HD13  ILE  76          HD13      ILE  76  -6.035  -0.026  -0.940
  576    H    LEU  77           HN       LEU  77  -9.362  -0.840   3.289
  577    HA   LEU  77           HA       LEU  77 -11.624  -2.153   2.392
  578    HB2  LEU  77           HB2      LEU  77 -10.128  -3.063   4.056
  579    HB3  LEU  77           HB1      LEU  77 -10.576  -1.815   5.196
  580    HG   LEU  77           HG       LEU  77 -12.878  -2.761   5.216
  581   HD11  LEU  77          HD11      LEU  77 -12.850  -3.891   3.089
  582   HD12  LEU  77          HD12      LEU  77 -13.210  -5.022   4.392
  583   HD13  LEU  77          HD13      LEU  77 -11.602  -4.995   3.671
  584   HD21  LEU  77          HD21      LEU  77 -11.285  -3.246   6.979
  585   HD22  LEU  77          HD22      LEU  77 -10.635  -4.592   6.044
  586   HD23  LEU  77          HD23      LEU  77 -12.291  -4.655   6.647
  587    H    ASP  78           HN       ASP  78 -11.341   0.510   4.583
  588    HA   ASP  78           HA       ASP  78 -14.121   0.506   5.389
  589    HB2  ASP  78           HB2      ASP  78 -12.233   1.258   6.825
  590    HB3  ASP  78           HB1      ASP  78 -12.037   2.647   5.773
  591    H    HIS  79           HN       HIS  79 -12.045   2.478   3.430
  592    HA   HIS  79           HA       HIS  79 -14.032   4.352   2.676
  593    HB2  HIS  79           HB2      HIS  79 -11.219   3.890   2.180
  594    HB3  HIS  79           HB1      HIS  79 -11.985   4.694   0.843
  595    HD1  HIS  79           HD1      HIS  79 -12.589   7.134   1.206
  596    HD2  HIS  79           HD2      HIS  79 -11.245   5.285   4.668
  597    HE1  HIS  79           HE1      HIS  79 -12.115   9.001   2.834
  598    HE2  HIS  79           HE2      HIS  79 -11.764   7.802   4.989
  599    H    GLN  80           HN       GLN  80 -12.399   1.805   0.803
  600    HA   GLN  80           HA       GLN  80 -12.602   1.199  -1.376
  601    HB2  GLN  80           HB2      GLN  80 -15.196   0.611  -0.126
  602    HB3  GLN  80           HB1      GLN  80 -14.821   0.005  -1.742
  603    HG2  GLN  80           HG2      GLN  80 -13.367  -0.606   0.830
  604    HG3  GLN  80           HG1      GLN  80 -14.411  -1.692  -0.088
  605   HE21  GLN  80          HE21      GLN  80 -11.617  -1.887   0.692
  606   HE22  GLN  80          HE22      GLN  80 -10.745  -2.185  -0.777
  607    H    ALA  81           HN       ALA  81 -12.375   2.722  -2.788
  608    HA   ALA  81           HA       ALA  81 -12.761   4.239  -4.325
  609    HB1  ALA  81           HB1      ALA  81 -14.657   3.865  -5.821
  610    HB2  ALA  81           HB2      ALA  81 -15.424   2.839  -4.609
  611    HB3  ALA  81           HB3      ALA  81 -13.910   2.334  -5.363
  612    H2   SHW 101           H2A      SHW 101   2.725   6.138   3.618
  613    H2A  SHW 101           H2B      SHW 101   3.751   5.480   2.347
  614    H3   SHW 101           H3A      SHW 101   3.107   4.246   5.066
  615    HO3  SHW 101           HO3      SHW 101   4.765   3.379   2.924
  616    H4   SHW 101           H4A      SHW 101   1.231   4.191   3.466
  617    H4A  SHW 101           H4B      SHW 101   1.875   2.577   3.727
  618    H5   SHW 101           H5A      SHW 101   3.105   2.718   1.617
  619    H5A  SHW 101           H5B      SHW 101   2.482   4.342   1.354
  620    H6   SHW 101           H6A      SHW 101   0.770   1.873   1.558
  621    H6A  SHW 101           H6B      SHW 101   1.281   2.623   0.049
  622    H7   SHW 101           H7A      SHW 101   0.119   4.697   0.700
  623    H7A  SHW 101           H7B      SHW 101  -0.445   3.884   2.173
  624    H8   SHW 101           H8C      SHW 101  -2.143   3.839   0.404
  625    H8A  SHW 101           H8A      SHW 101  -1.579   2.212   0.789
  626    H8B  SHW 101           H8B      SHW 101  -1.000   3.024  -0.666
  627    H28  SHW 101          H28A      SHW 101  11.798  10.946  -0.647
  628   H28A  SHW 101          H28B      SHW 101  10.803   9.571  -0.166
  629    H30  SHW 101          H30A      SHW 101   9.425  13.552   0.048
  630   H30A  SHW 101          H30B      SHW 101  10.944  13.119  -0.740
  631   H30B  SHW 101          H30C      SHW 101  10.813  13.060   1.018
  632    H31  SHW 101          H31A      SHW 101   8.246  11.858  -1.388
  633   H31A  SHW 101          H31B      SHW 101   8.840  10.198  -1.417
  634   H31B  SHW 101          H31C      SHW 101   9.798  11.488  -2.143
  635    H32  SHW 101          H32A      SHW 101   9.281  11.402   2.142
  636   HO33  SHW 101          H33A      SHW 101   6.979  11.170   0.890
  637   HN36  SHW 101          H36A      SHW 101  10.122   9.203   2.045
  638    H37  SHW 101          H37A      SHW 101   7.943   7.190   1.914
  639   H37A  SHW 101          H37B      SHW 101   9.472   6.861   1.115
  640    H38  SHW 101          H38A      SHW 101   9.419   5.729   3.215
  641   H38A  SHW 101          H38B      SHW 101  10.641   7.010   3.300
  642   HN41  SHW 101          H41A      SHW 101   7.407   7.990   3.388
  643    H42  SHW 101          H42A      SHW 101   6.861   7.940   6.235
  644   H42A  SHW 101          H42B      SHW 101   7.318   9.470   5.560
  645    H43  SHW 101          H43A      SHW 101   5.555   9.094   3.733
  646   H43A  SHW 101          H43B      SHW 101   5.191   9.734   5.318
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1 -14.106  -1.140  -2.737
    2    H2   ALA   1           HT2      ALA   1 -15.720  -0.592  -2.953
    3    H3   ALA   1           HT3      ALA   1 -15.071  -1.785  -3.921
    4    HA   ALA   1           HA       ALA   1 -15.305  -2.226  -1.026
    5    HB1  ALA   1           HB1      ALA   1 -17.541  -2.005  -2.016
    6    HB2  ALA   1           HB2      ALA   1 -17.208  -3.687  -1.601
    7    HB3  ALA   1           HB3      ALA   1 -17.102  -3.154  -3.279
    8    H    ALA   2           HN       ALA   2 -13.616  -3.849  -0.523
    9    HA   ALA   2           HA       ALA   2 -13.346  -5.875  -2.510
   10    HB1  ALA   2           HB1      ALA   2 -11.804  -4.162  -3.332
   11    HB2  ALA   2           HB2      ALA   2 -10.932  -5.563  -2.713
   12    HB3  ALA   2           HB3      ALA   2 -11.034  -4.089  -1.748
   13    H    THR   3           HN       THR   3 -12.732  -7.686  -1.606
   14    HA   THR   3           HA       THR   3 -12.775  -8.040   1.174
   15    HB   THR   3           HB       THR   3 -11.445  -9.817  -0.899
   16    HG1  THR   3           HG1      THR   3 -13.390  -9.588  -1.798
   17   HG21  THR   3          HG21      THR   3 -12.267 -11.608   0.572
   18   HG22  THR   3          HG22      THR   3 -12.991 -10.377   1.622
   19   HG23  THR   3          HG23      THR   3 -11.238 -10.470   1.460
   20    H    GLN   4           HN       GLN   4 -11.059  -7.959   2.587
   21    HA   GLN   4           HA       GLN   4  -9.027  -6.229   2.071
   22    HB2  GLN   4           HB2      GLN   4  -9.135  -8.309   4.207
   23    HB3  GLN   4           HB1      GLN   4  -7.989  -6.972   4.170
   24    HG2  GLN   4           HG2      GLN   4  -9.885  -5.404   4.084
   25    HG3  GLN   4           HG1      GLN   4 -10.977  -6.720   4.209
   26   HE21  GLN   4          HE21      GLN   4  -8.582  -4.896   5.946
   27   HE22  GLN   4          HE22      GLN   4  -8.956  -5.467   7.522
   28    H    GLU   5           HN       GLU   5  -8.936  -9.651   1.687
   29    HA   GLU   5           HA       GLU   5  -6.155 -10.095   1.277
   30    HB2  GLU   5           HB2      GLU   5  -8.485 -11.471  -0.063
   31    HB3  GLU   5           HB1      GLU   5  -6.827 -12.045  -0.059
   32    HG2  GLU   5           HG2      GLU   5  -6.931 -12.309   2.361
   33    HG3  GLU   5           HG1      GLU   5  -8.597 -11.728   2.344
   34    H    GLU   6           HN       GLU   6  -8.671  -8.984  -0.856
   35    HA   GLU   6           HA       GLU   6  -7.125  -9.046  -3.266
   36    HB2  GLU   6           HB2      GLU   6  -9.626  -9.238  -3.112
   37    HB3  GLU   6           HB1      GLU   6  -9.674  -7.565  -2.594
   38    HG2  GLU   6           HG2      GLU   6 -10.266  -7.697  -4.899
   39    HG3  GLU   6           HG1      GLU   6  -8.684  -6.924  -4.767
   40    H    ILE   7           HN       ILE   7  -7.760  -6.864  -0.675
   41    HA   ILE   7           HA       ILE   7  -6.842  -4.469  -1.903
   42    HB   ILE   7           HB       ILE   7  -6.884  -5.217   1.024
   43   HG12  ILE   7          HG12      ILE   7  -9.103  -4.067  -0.698
   44   HG13  ILE   7          HG11      ILE   7  -9.070  -5.596   0.132
   45   HG21  ILE   7          HG21      ILE   7  -7.058  -2.794   1.399
   46   HG22  ILE   7          HG22      ILE   7  -6.989  -2.518  -0.338
   47   HG23  ILE   7          HG23      ILE   7  -5.593  -3.194   0.503
   48   HD11  ILE   7          HD11      ILE   7  -9.087  -4.505   2.287
   49   HD12  ILE   7          HD12      ILE   7 -10.464  -4.000   1.309
   50   HD13  ILE   7          HD13      ILE   7  -9.075  -2.927   1.502
   51    H    VAL   8           HN       VAL   8  -5.456  -6.639   0.547
   52    HA   VAL   8           HA       VAL   8  -2.865  -5.675   0.591
   53    HB   VAL   8           HB       VAL   8  -3.960  -8.455   1.123
   54   HG11  VAL   8          HG11      VAL   8  -1.837  -8.933   2.253
   55   HG12  VAL   8          HG12      VAL   8  -1.190  -7.390   1.680
   56   HG13  VAL   8          HG13      VAL   8  -1.626  -8.656   0.524
   57   HG21  VAL   8          HG21      VAL   8  -3.045  -6.236   2.946
   58   HG22  VAL   8          HG22      VAL   8  -3.676  -7.796   3.476
   59   HG23  VAL   8          HG23      VAL   8  -4.715  -6.653   2.615
   60    H    ALA   9           HN       ALA   9  -4.227  -8.294  -1.393
   61    HA   ALA   9           HA       ALA   9  -1.828  -8.838  -2.736
   62    HB1  ALA   9           HB1      ALA   9  -4.636  -9.384  -3.692
   63    HB2  ALA   9           HB2      ALA   9  -3.676 -10.439  -2.654
   64    HB3  ALA   9           HB3      ALA   9  -3.164 -10.130  -4.313
   65    H    GLY  10           HN       GLY  10  -4.398  -6.516  -3.363
   66    HA2  GLY  10           HA2      GLY  10  -3.650  -5.629  -5.966
   67    HA3  GLY  10           HA1      GLY  10  -4.494  -4.678  -4.771
   68    H    LEU  11           HN       LEU  11  -2.785  -4.606  -2.730
   69    HA   LEU  11           HA       LEU  11  -0.935  -2.609  -3.395
   70    HB2  LEU  11           HB2      LEU  11  -0.979  -4.502  -1.044
   71    HB3  LEU  11           HB1      LEU  11   0.061  -3.103  -1.171
   72    HG   LEU  11           HG       LEU  11  -2.954  -2.982  -1.106
   73   HD11  LEU  11          HD11      LEU  11  -2.663  -2.202   1.191
   74   HD12  LEU  11          HD12      LEU  11  -0.926  -2.486   1.068
   75   HD13  LEU  11          HD13      LEU  11  -2.050  -3.843   0.988
   76   HD21  LEU  11          HD21      LEU  11  -2.581  -0.603  -0.687
   77   HD22  LEU  11          HD22      LEU  11  -1.887  -1.089  -2.234
   78   HD23  LEU  11          HD23      LEU  11  -0.840  -0.846  -0.835
   79    H    ALA  12           HN       ALA  12  -0.522  -6.024  -2.715
   80    HA   ALA  12           HA       ALA  12   2.210  -6.276  -2.940
   81    HB1  ALA  12           HB1      ALA  12   1.817  -8.649  -3.257
   82    HB2  ALA  12           HB2      ALA  12   0.141  -8.328  -3.691
   83    HB3  ALA  12           HB3      ALA  12   0.710  -7.993  -2.058
   84    H    GLU  13           HN       GLU  13  -0.205  -6.594  -5.537
   85    HA   GLU  13           HA       GLU  13   1.783  -7.195  -7.472
   86    HB2  GLU  13           HB2      GLU  13  -0.015  -6.893  -9.177
   87    HB3  GLU  13           HB1      GLU  13  -0.411  -8.035  -7.905
   88    HG2  GLU  13           HG2      GLU  13  -1.734  -6.264  -6.799
   89    HG3  GLU  13           HG1      GLU  13  -1.394  -5.210  -8.170
   90    H    ILE  14           HN       ILE  14   0.711  -4.268  -6.234
   91    HA   ILE  14           HA       ILE  14   1.849  -2.663  -8.364
   92    HB   ILE  14           HB       ILE  14   0.733  -1.984  -5.629
   93   HG12  ILE  14          HG12      ILE  14  -0.403  -1.471  -8.370
   94   HG13  ILE  14          HG11      ILE  14  -0.804  -2.868  -7.377
   95   HG21  ILE  14          HG21      ILE  14   1.584  -0.107  -7.837
   96   HG22  ILE  14          HG22      ILE  14   2.395  -0.311  -6.283
   97   HG23  ILE  14          HG23      ILE  14   0.762   0.362  -6.346
   98   HD11  ILE  14          HD11      ILE  14  -1.662  -1.429  -5.673
   99   HD12  ILE  14          HD12      ILE  14  -2.483  -1.156  -7.212
  100   HD13  ILE  14          HD13      ILE  14  -1.266   0.002  -6.633
  101    H    VAL  15           HN       VAL  15   2.583  -3.581  -5.061
  102    HA   VAL  15           HA       VAL  15   4.971  -2.145  -4.741
  103    HB   VAL  15           HB       VAL  15   4.066  -4.708  -3.400
  104   HG11  VAL  15          HG11      VAL  15   6.333  -2.870  -2.598
  105   HG12  VAL  15          HG12      VAL  15   6.506  -4.511  -3.215
  106   HG13  VAL  15          HG13      VAL  15   5.736  -4.235  -1.654
  107   HG21  VAL  15          HG21      VAL  15   3.527  -3.233  -1.525
  108   HG22  VAL  15          HG22      VAL  15   2.635  -2.804  -2.985
  109   HG23  VAL  15          HG23      VAL  15   4.027  -1.844  -2.490
  110    H    ASN  16           HN       ASN  16   4.424  -5.435  -5.920
  111    HA   ASN  16           HA       ASN  16   7.144  -6.136  -6.209
  112    HB2  ASN  16           HB2      ASN  16   5.062  -7.640  -6.386
  113    HB3  ASN  16           HB1      ASN  16   4.971  -7.102  -8.060
  114   HD21  ASN  16          HD21      ASN  16   7.770  -7.920  -6.049
  115   HD22  ASN  16          HD22      ASN  16   8.366  -9.159  -7.097
  116    H    GLU  17           HN       GLU  17   4.994  -4.269  -8.132
  117    HA   GLU  17           HA       GLU  17   6.542  -4.230 -10.544
  118    HB2  GLU  17           HB2      GLU  17   4.102  -4.047 -10.539
  119    HB3  GLU  17           HB1      GLU  17   4.200  -2.581  -9.584
  120    HG2  GLU  17           HG2      GLU  17   3.702  -2.058 -11.852
  121    HG3  GLU  17           HG1      GLU  17   5.314  -1.462 -11.456
  122    H    ILE  18           HN       ILE  18   5.752  -1.834  -8.034
  123    HA   ILE  18           HA       ILE  18   7.617   0.097  -9.145
  124    HB   ILE  18           HB       ILE  18   5.743   0.296  -6.753
  125   HG12  ILE  18          HG12      ILE  18   5.585   1.653  -9.396
  126   HG13  ILE  18          HG11      ILE  18   4.789   0.082  -9.148
  127   HG21  ILE  18          HG21      ILE  18   6.179   2.684  -6.848
  128   HG22  ILE  18          HG22      ILE  18   7.372   2.427  -8.120
  129   HG23  ILE  18          HG23      ILE  18   7.655   1.784  -6.501
  130   HD11  ILE  18          HD11      ILE  18   3.471   1.196  -7.365
  131   HD12  ILE  18          HD12      ILE  18   3.241   1.920  -8.957
  132   HD13  ILE  18          HD13      ILE  18   4.275   2.711  -7.768
  133    H    ALA  19           HN       ALA  19   7.261  -1.520  -5.969
  134    HA   ALA  19           HA       ALA  19   9.682  -0.370  -4.895
  135    HB1  ALA  19           HB1      ALA  19   7.795  -0.945  -3.469
  136    HB2  ALA  19           HB2      ALA  19   9.249  -1.820  -2.992
  137    HB3  ALA  19           HB3      ALA  19   7.980  -2.645  -3.896
  138    H    GLY  20           HN       GLY  20   8.668  -3.423  -6.284
  139    HA2  GLY  20           HA2      GLY  20  10.080  -4.924  -7.449
  140    HA3  GLY  20           HA1      GLY  20  11.467  -4.226  -6.616
  141    H    ILE  21           HN       ILE  21   9.061  -4.629  -4.451
  142    HA   ILE  21           HA       ILE  21  10.406  -6.904  -3.255
  143    HB   ILE  21           HB       ILE  21   8.215  -5.097  -2.187
  144   HG12  ILE  21          HG12      ILE  21  10.306  -3.904  -2.441
  145   HG13  ILE  21          HG11      ILE  21   9.992  -4.174  -0.735
  146   HG21  ILE  21          HG21      ILE  21   8.050  -7.275  -1.128
  147   HG22  ILE  21          HG22      ILE  21   8.651  -6.081   0.021
  148   HG23  ILE  21          HG23      ILE  21   9.765  -7.231  -0.720
  149   HD11  ILE  21          HD11      ILE  21  11.593  -6.028  -0.737
  150   HD12  ILE  21          HD12      ILE  21  12.340  -4.520  -1.266
  151   HD13  ILE  21          HD13      ILE  21  11.902  -5.750  -2.452
  152    HA   PRO  22           HA       PRO  22   7.761 -10.227  -4.718
  153    HB2  PRO  22           HB2      PRO  22   7.724 -11.090  -1.960
  154    HB3  PRO  22           HB1      PRO  22   8.494 -11.840  -3.362
  155    HG2  PRO  22           HG2      PRO  22   9.659 -10.078  -1.325
  156    HG3  PRO  22           HG1      PRO  22  10.471 -11.161  -2.468
  157    HD2  PRO  22           HD2      PRO  22  10.628  -8.488  -2.731
  158    HD3  PRO  22           HD1      PRO  22  10.491  -9.579  -4.141
  159    H    VAL  23           HN       VAL  23   5.794 -10.317  -5.053
  160    HA   VAL  23           HA       VAL  23   3.646  -8.899  -3.950
  161    HB   VAL  23           HB       VAL  23   3.648 -11.667  -5.235
  162   HG11  VAL  23          HG11      VAL  23   1.366  -9.723  -4.962
  163   HG12  VAL  23          HG12      VAL  23   1.542 -11.260  -4.120
  164   HG13  VAL  23          HG13      VAL  23   1.328 -11.233  -5.873
  165   HG21  VAL  23          HG21      VAL  23   3.104 -10.523  -7.330
  166   HG22  VAL  23          HG22      VAL  23   4.676 -10.037  -6.695
  167   HG23  VAL  23          HG23      VAL  23   3.284  -8.969  -6.517
  168    H    GLU  24           HN       GLU  24   5.221 -11.785  -3.153
  169    HA   GLU  24           HA       GLU  24   3.215 -12.579  -1.323
  170    HB2  GLU  24           HB2      GLU  24   4.584 -14.640  -0.935
  171    HB3  GLU  24           HB1      GLU  24   4.062 -14.362  -2.591
  172    HG2  GLU  24           HG2      GLU  24   6.285 -13.453  -3.113
  173    HG3  GLU  24           HG1      GLU  24   6.797 -13.825  -1.464
  174    H    ASP  25           HN       ASP  25   5.920 -10.632  -1.034
  175    HA   ASP  25           HA       ASP  25   6.502 -11.397   1.735
  176    HB2  ASP  25           HB2      ASP  25   8.308 -10.593   0.053
  177    HB3  ASP  25           HB1      ASP  25   7.631  -8.985   0.279
  178    H    VAL  26           HN       VAL  26   4.605  -9.464  -0.100
  179    HA   VAL  26           HA       VAL  26   3.977  -7.408   1.815
  180    HB   VAL  26           HB       VAL  26   2.902  -8.107  -0.945
  181   HG11  VAL  26          HG11      VAL  26   1.091  -7.177   0.412
  182   HG12  VAL  26          HG12      VAL  26   1.604  -6.090  -0.877
  183   HG13  VAL  26          HG13      VAL  26   2.101  -5.770   0.797
  184   HG21  VAL  26          HG21      VAL  26   4.485  -5.780   0.107
  185   HG22  VAL  26          HG22      VAL  26   3.941  -5.979  -1.557
  186   HG23  VAL  26          HG23      VAL  26   5.119  -7.106  -0.867
  187    H    LYS  27           HN       LYS  27   3.480  -8.825   3.417
  188    HA   LYS  27           HA       LYS  27   0.993 -10.358   3.293
  189    HB2  LYS  27           HB2      LYS  27   3.110 -10.032   5.422
  190    HB3  LYS  27           HB1      LYS  27   1.666 -11.013   5.616
  191    HG2  LYS  27           HG2      LYS  27   3.689 -11.434   3.438
  192    HG3  LYS  27           HG1      LYS  27   3.724 -12.299   4.988
  193    HD2  LYS  27           HD2      LYS  27   1.448 -13.137   4.516
  194    HD3  LYS  27           HD1      LYS  27   1.480 -12.300   2.967
  195    HE2  LYS  27           HE2      LYS  27   1.973 -14.650   2.683
  196    HE3  LYS  27           HE1      LYS  27   3.373 -13.657   2.276
  197    HZ1  LYS  27           HZ1      LYS  27   3.892 -15.669   3.588
  198    HZ2  LYS  27           HZ2      LYS  27   3.055 -15.020   4.919
  199    HZ3  LYS  27           HZ3      LYS  27   4.419 -14.263   4.342
  200    H    LEU  28           HN       LEU  28   1.173  -9.353   6.404
  201    HA   LEU  28           HA       LEU  28  -0.326  -6.932   5.732
  202    HB2  LEU  28           HB2      LEU  28  -1.764  -9.004   6.071
  203    HB3  LEU  28           HB1      LEU  28  -1.316  -8.889   7.760
  204    HG   LEU  28           HG       LEU  28  -2.529  -6.535   6.439
  205   HD11  LEU  28          HD11      LEU  28  -4.762  -7.419   6.968
  206   HD12  LEU  28          HD12      LEU  28  -4.003  -8.963   7.419
  207   HD13  LEU  28          HD13      LEU  28  -3.900  -8.368   5.752
  208   HD21  LEU  28          HD21      LEU  28  -2.793  -7.718   9.211
  209   HD22  LEU  28          HD22      LEU  28  -3.526  -6.207   8.664
  210   HD23  LEU  28          HD23      LEU  28  -1.772  -6.352   8.762
  211    H    ASP  29           HN       ASP  29   1.772  -8.537   7.891
  212    HA   ASP  29           HA       ASP  29   1.659  -6.453   9.939
  213    HB2  ASP  29           HB2      ASP  29   1.868  -8.796  10.650
  214    HB3  ASP  29           HB1      ASP  29   3.307  -8.988   9.660
  215    H    LYS  30           HN       LYS  30   2.898  -6.740   7.041
  216    HA   LYS  30           HA       LYS  30   5.673  -6.061   7.488
  217    HB2  LYS  30           HB2      LYS  30   4.006  -6.579   5.073
  218    HB3  LYS  30           HB1      LYS  30   5.643  -5.972   4.940
  219    HG2  LYS  30           HG2      LYS  30   4.936  -8.499   6.425
  220    HG3  LYS  30           HG1      LYS  30   5.371  -8.476   4.714
  221    HD2  LYS  30           HD2      LYS  30   7.539  -7.532   5.244
  222    HD3  LYS  30           HD1      LYS  30   7.101  -7.416   6.948
  223    HE2  LYS  30           HE2      LYS  30   7.302  -9.986   5.383
  224    HE3  LYS  30           HE1      LYS  30   8.566  -9.344   6.430
  225    HZ1  LYS  30           HZ1      LYS  30   6.975  -9.455   8.282
  226    HZ2  LYS  30           HZ2      LYS  30   7.296 -10.971   7.622
  227    HZ3  LYS  30           HZ3      LYS  30   5.839 -10.195   7.285
  228    H    SER  31           HN       SER  31   6.323  -3.998   7.796
  229    HA   SER  31           HA       SER  31   4.658  -1.859   6.958
  230    HB2  SER  31           HB2      SER  31   7.469  -1.828   8.040
  231    HB3  SER  31           HB1      SER  31   6.232  -0.571   8.088
  232    HG   SER  31           HG       SER  31   6.438  -2.952   9.535
  233    H    PHE  32           HN       PHE  32   4.762  -1.297   4.890
  234    HA   PHE  32           HA       PHE  32   6.266  -1.807   2.778
  235    HB2  PHE  32           HB2      PHE  32   5.275   0.851   3.634
  236    HB3  PHE  32           HB1      PHE  32   6.111   0.716   2.103
  237    HD1  PHE  32           HD1      PHE  32   5.070  -0.795   0.345
  238    HD2  PHE  32           HD2      PHE  32   3.087   0.147   3.979
  239    HE1  PHE  32           HE1      PHE  32   2.929  -1.505  -0.637
  240    HE2  PHE  32           HE2      PHE  32   0.958  -0.562   3.003
  241    HZ   PHE  32           HZ       PHE  32   0.902  -1.473   0.688
  242    H    THR  33           HN       THR  33   7.360   1.380   3.738
  243    HA   THR  33           HA       THR  33  10.042   0.629   3.192
  244    HB   THR  33           HB       THR  33  10.217   3.109   4.132
  245    HG1  THR  33           HG1      THR  33   8.242   3.657   4.660
  246   HG21  THR  33          HG21      THR  33   9.815   3.803   1.799
  247   HG22  THR  33          HG22      THR  33   9.056   2.230   1.494
  248   HG23  THR  33          HG23      THR  33  10.761   2.315   1.896
  249    H    ASP  34           HN       ASP  34   9.767  -1.024   5.140
  250    HA   ASP  34           HA       ASP  34  11.538  -0.134   7.173
  251    HB2  ASP  34           HB2      ASP  34   9.427   0.932   7.913
  252    HB3  ASP  34           HB1      ASP  34   8.697  -0.653   8.071
  253    H    ASP  35           HN       ASP  35   8.950  -2.506   6.569
  254    HA   ASP  35           HA       ASP  35  10.657  -4.713   7.505
  255    HB2  ASP  35           HB2      ASP  35   7.756  -4.503   6.736
  256    HB3  ASP  35           HB1      ASP  35   8.490  -6.077   6.770
  257    H    LEU  36           HN       LEU  36   8.765  -3.740   4.693
  258    HA   LEU  36           HA       LEU  36   9.729  -5.813   2.968
  259    HB2  LEU  36           HB2      LEU  36   8.426  -3.185   2.241
  260    HB3  LEU  36           HB1      LEU  36   8.613  -4.565   1.185
  261    HG   LEU  36           HG       LEU  36   6.880  -4.492   3.657
  262   HD11  LEU  36          HD11      LEU  36   5.019  -4.487   2.073
  263   HD12  LEU  36          HD12      LEU  36   6.161  -4.383   0.732
  264   HD13  LEU  36          HD13      LEU  36   6.028  -3.052   1.878
  265   HD21  LEU  36          HD21      LEU  36   6.006  -6.604   2.805
  266   HD22  LEU  36          HD22      LEU  36   7.734  -6.714   3.151
  267   HD23  LEU  36          HD23      LEU  36   7.174  -6.555   1.486
  268    H    ASP  37           HN       ASP  37  10.229  -2.348   3.167
  269    HA   ASP  37           HA       ASP  37  11.875  -0.956   2.755
  270    HB2  ASP  37           HB2      ASP  37  13.597  -2.616   3.479
  271    HB3  ASP  37           HB1      ASP  37  13.631  -3.263   1.842
  272    H    VAL  38           HN       VAL  38  11.048   0.184   1.366
  273    HA   VAL  38           HA       VAL  38  10.657  -0.832  -1.360
  274    HB   VAL  38           HB       VAL  38   9.221   1.433   0.094
  275   HG11  VAL  38          HG11      VAL  38   7.715   1.552  -1.837
  276   HG12  VAL  38          HG12      VAL  38   8.704   0.367  -2.688
  277   HG13  VAL  38          HG13      VAL  38   9.371   1.951  -2.294
  278   HG21  VAL  38          HG21      VAL  38   7.258  -0.025  -0.040
  279   HG22  VAL  38          HG22      VAL  38   8.565  -0.768   0.881
  280   HG23  VAL  38          HG23      VAL  38   8.248  -1.284  -0.777
  281    H    ASP  39           HN       ASP  39  10.689   2.473  -0.443
  282    HA   ASP  39           HA       ASP  39  13.205   3.341  -1.127
  283    HB2  ASP  39           HB2      ASP  39  12.496   2.367  -3.481
  284    HB3  ASP  39           HB1      ASP  39  11.301   3.667  -3.427
  285    H    SER  40           HN       SER  40  12.634   5.687  -2.226
  286    HA   SER  40           HA       SER  40  11.080   6.961  -0.094
  287    HB2  SER  40           HB2      SER  40  13.542   7.432  -0.791
  288    HB3  SER  40           HB1      SER  40  12.822   8.269  -2.164
  289    H    LEU  41           HN       LEU  41  11.676   6.907  -3.472
  290    HA   LEU  41           HA       LEU  41   9.509   8.742  -4.135
  291    HB2  LEU  41           HB2      LEU  41  11.490   7.363  -5.936
  292    HB3  LEU  41           HB1      LEU  41  10.379   8.629  -6.410
  293    HG   LEU  41           HG       LEU  41  12.705   8.918  -4.515
  294   HD11  LEU  41          HD11      LEU  41  12.235   9.966  -7.292
  295   HD12  LEU  41          HD12      LEU  41  13.365   8.692  -6.830
  296   HD13  LEU  41          HD13      LEU  41  13.620  10.346  -6.269
  297   HD21  LEU  41          HD21      LEU  41  12.176  11.310  -4.534
  298   HD22  LEU  41          HD22      LEU  41  10.849  10.365  -3.855
  299   HD23  LEU  41          HD23      LEU  41  10.740  10.985  -5.502
  300    H    SER  42           HN       SER  42  10.405   5.403  -4.470
  301    HA   SER  42           HA       SER  42   8.308   4.643  -6.186
  302    HB2  SER  42           HB2      SER  42   9.824   2.967  -4.179
  303    HB3  SER  42           HB1      SER  42   8.902   2.363  -5.557
  304    HG   SER  42           HG       SER  42  10.492   2.909  -6.870
  305    H    MET  43           HN       MET  43   8.556   5.248  -2.811
  306    HA   MET  43           HA       MET  43   6.375   3.859  -1.779
  307    HB2  MET  43           HB2      MET  43   8.041   4.921  -0.400
  308    HB3  MET  43           HB1      MET  43   7.556   6.511  -0.984
  309    HG2  MET  43           HG2      MET  43   6.715   5.875   1.261
  310    HG3  MET  43           HG1      MET  43   5.486   6.380   0.086
  311    HE1  MET  43           HE1      MET  43   7.346   3.056  -0.065
  312    HE2  MET  43           HE2      MET  43   6.346   1.930   0.868
  313    HE3  MET  43           HE3      MET  43   7.248   3.213   1.684
  314    H    VAL  44           HN       VAL  44   6.636   7.127  -3.166
  315    HA   VAL  44           HA       VAL  44   3.907   7.749  -2.745
  316    HB   VAL  44           HB       VAL  44   5.879   9.122  -4.597
  317   HG11  VAL  44          HG11      VAL  44   3.573   9.745  -5.065
  318   HG12  VAL  44          HG12      VAL  44   4.441  11.092  -4.331
  319   HG13  VAL  44          HG13      VAL  44   3.317  10.136  -3.366
  320   HG21  VAL  44          HG21      VAL  44   6.267  10.679  -2.734
  321   HG22  VAL  44          HG22      VAL  44   6.744   9.029  -2.328
  322   HG23  VAL  44          HG23      VAL  44   5.240   9.684  -1.701
  323    H    GLU  45           HN       GLU  45   5.695   6.154  -5.312
  324    HA   GLU  45           HA       GLU  45   3.677   6.482  -7.250
  325    HB2  GLU  45           HB2      GLU  45   5.918   4.470  -7.047
  326    HB3  GLU  45           HB1      GLU  45   4.875   4.670  -8.447
  327    HG2  GLU  45           HG2      GLU  45   6.799   6.671  -7.318
  328    HG3  GLU  45           HG1      GLU  45   6.938   5.803  -8.853
  329    H    VAL  46           HN       VAL  46   4.481   4.057  -4.838
  330    HA   VAL  46           HA       VAL  46   2.554   2.145  -5.449
  331    HB   VAL  46           HB       VAL  46   3.565   3.016  -2.702
  332   HG11  VAL  46          HG11      VAL  46   2.772   0.849  -1.873
  333   HG12  VAL  46          HG12      VAL  46   2.062   0.499  -3.451
  334   HG13  VAL  46          HG13      VAL  46   1.433   1.827  -2.475
  335   HG21  VAL  46          HG21      VAL  46   5.315   2.163  -4.171
  336   HG22  VAL  46          HG22      VAL  46   4.366   0.707  -4.473
  337   HG23  VAL  46          HG23      VAL  46   4.994   1.030  -2.857
  338    H    VAL  47           HN       VAL  47   2.311   4.975  -3.337
  339    HA   VAL  47           HA       VAL  47  -0.376   4.772  -2.585
  340    HB   VAL  47           HB       VAL  47   1.222   7.293  -3.081
  341   HG11  VAL  47          HG11      VAL  47  -1.216   7.657  -2.893
  342   HG12  VAL  47          HG12      VAL  47  -0.326   8.369  -1.545
  343   HG13  VAL  47          HG13      VAL  47  -1.197   6.849  -1.332
  344   HG21  VAL  47          HG21      VAL  47   0.903   5.645  -0.574
  345   HG22  VAL  47          HG22      VAL  47   1.740   7.193  -0.689
  346   HG23  VAL  47          HG23      VAL  47   2.364   5.785  -1.551
  347    H    VAL  48           HN       VAL  48   0.900   7.042  -5.022
  348    HA   VAL  48           HA       VAL  48  -1.499   7.809  -6.142
  349    HB   VAL  48           HB       VAL  48   1.186   7.616  -7.551
  350   HG11  VAL  48          HG11      VAL  48  -1.256   9.230  -8.302
  351   HG12  VAL  48          HG12      VAL  48  -0.637   7.830  -9.174
  352   HG13  VAL  48          HG13      VAL  48   0.320   9.313  -9.093
  353   HG21  VAL  48          HG21      VAL  48  -0.151   9.913  -6.123
  354   HG22  VAL  48          HG22      VAL  48   1.383   9.993  -6.992
  355   HG23  VAL  48          HG23      VAL  48   1.242   8.996  -5.545
  356    H    ALA  49           HN       ALA  49   0.556   5.095  -7.354
  357    HA   ALA  49           HA       ALA  49  -1.240   4.484  -9.462
  358    HB1  ALA  49           HB1      ALA  49   0.049   2.446  -9.770
  359    HB2  ALA  49           HB2      ALA  49   0.832   2.680  -8.208
  360    HB3  ALA  49           HB3      ALA  49   1.127   3.820  -9.524
  361    H    ALA  50           HN       ALA  50  -1.177   3.602  -6.089
  362    HA   ALA  50           HA       ALA  50  -2.833   1.322  -6.272
  363    HB1  ALA  50           HB1      ALA  50  -1.558   1.825  -4.234
  364    HB2  ALA  50           HB2      ALA  50  -3.280   1.662  -3.889
  365    HB3  ALA  50           HB3      ALA  50  -2.544   3.263  -3.974
  366    H    GLU  51           HN       GLU  51  -3.430   4.772  -5.972
  367    HA   GLU  51           HA       GLU  51  -6.069   4.607  -5.718
  368    HB2  GLU  51           HB2      GLU  51  -4.205   6.655  -6.551
  369    HB3  GLU  51           HB1      GLU  51  -5.941   6.926  -6.843
  370    HG2  GLU  51           HG2      GLU  51  -4.655   6.140  -4.267
  371    HG3  GLU  51           HG1      GLU  51  -5.443   7.643  -4.646
  372    H    GLU  52           HN       GLU  52  -4.362   4.043  -8.664
  373    HA   GLU  52           HA       GLU  52  -6.811   4.307 -10.177
  374    HB2  GLU  52           HB2      GLU  52  -4.547   4.776 -11.178
  375    HB3  GLU  52           HB1      GLU  52  -4.186   3.064 -11.019
  376    HG2  GLU  52           HG2      GLU  52  -6.003   2.526 -12.529
  377    HG3  GLU  52           HG1      GLU  52  -6.407   4.233 -12.688
  378    H    ARG  53           HN       ARG  53  -5.285   2.010  -8.287
  379    HA   ARG  53           HA       ARG  53  -6.489  -0.366  -9.473
  380    HB2  ARG  53           HB2      ARG  53  -4.222   0.128  -8.038
  381    HB3  ARG  53           HB1      ARG  53  -5.301  -0.483  -6.804
  382    HG2  ARG  53           HG2      ARG  53  -4.092  -2.346  -7.583
  383    HG3  ARG  53           HG1      ARG  53  -5.671  -2.474  -8.374
  384    HD2  ARG  53           HD2      ARG  53  -4.788  -1.469 -10.386
  385    HD3  ARG  53           HD1      ARG  53  -3.255  -1.179  -9.546
  386    HE   ARG  53           HE       ARG  53  -3.990  -3.912  -9.637
  387   HH11  ARG  53          HH11      ARG  53  -2.685  -1.358 -11.704
  388   HH12  ARG  53          HH12      ARG  53  -1.511  -2.368 -12.461
  389   HH21  ARG  53          HH21      ARG  53  -2.427  -5.272 -10.715
  390   HH22  ARG  53          HH22      ARG  53  -1.364  -4.646 -11.914
  391    H    PHE  54           HN       PHE  54  -6.586   1.412  -6.397
  392    HA   PHE  54           HA       PHE  54  -8.767  -0.213  -5.378
  393    HB2  PHE  54           HB2      PHE  54  -7.056   1.877  -4.031
  394    HB3  PHE  54           HB1      PHE  54  -8.291   0.917  -3.229
  395    HD1  PHE  54           HD2      PHE  54  -5.020   0.752  -4.934
  396    HD2  PHE  54           HD1      PHE  54  -7.826  -1.299  -2.502
  397    HE1  PHE  54           HE2      PHE  54  -3.378  -1.045  -4.513
  398    HE2  PHE  54           HE1      PHE  54  -6.166  -3.056  -2.074
  399    HZ   PHE  54           HZ       PHE  54  -3.907  -2.846  -3.009
  400    H    ASP  55           HN       ASP  55  -8.113   3.217  -6.121
  401    HA   ASP  55           HA       ASP  55  -9.510   4.889  -6.810
  402    HB2  ASP  55           HB2      ASP  55 -10.777   2.931  -7.935
  403    HB3  ASP  55           HB1      ASP  55 -11.774   2.925  -6.524
  404    H    VAL  56           HN       VAL  56  -8.912   4.415  -3.980
  405    HA   VAL  56           HA       VAL  56 -11.463   5.134  -2.720
  406    HB   VAL  56           HB       VAL  56 -10.433   4.427  -0.591
  407   HG11  VAL  56          HG11      VAL  56 -10.652   2.359  -2.778
  408   HG12  VAL  56          HG12      VAL  56 -11.968   2.989  -1.770
  409   HG13  VAL  56          HG13      VAL  56 -10.688   2.009  -1.045
  410   HG21  VAL  56          HG21      VAL  56  -8.310   3.315  -2.399
  411   HG22  VAL  56          HG22      VAL  56  -8.508   2.880  -0.702
  412   HG23  VAL  56          HG23      VAL  56  -8.109   4.540  -1.152
  413    H    LYS  57           HN       LYS  57  -8.920   6.602  -3.783
  414    HA   LYS  57           HA       LYS  57  -7.738   8.361  -3.503
  415    HB2  LYS  57           HB2      LYS  57 -10.182   9.453  -2.109
  416    HB3  LYS  57           HB1      LYS  57  -8.787  10.435  -2.523
  417    HG2  LYS  57           HG2      LYS  57 -10.657   9.020  -4.416
  418    HG3  LYS  57           HG1      LYS  57 -10.464  10.756  -4.189
  419    HD2  LYS  57           HD2      LYS  57  -8.415   8.853  -5.340
  420    HD3  LYS  57           HD1      LYS  57  -9.367  10.024  -6.242
  421    HE2  LYS  57           HE2      LYS  57  -7.320  10.681  -4.117
  422    HE3  LYS  57           HE1      LYS  57  -7.041  10.754  -5.851
  423    HZ1  LYS  57           HZ1      LYS  57  -8.720  12.508  -5.997
  424    HZ2  LYS  57           HZ2      LYS  57  -7.479  12.904  -4.918
  425    HZ3  LYS  57           HZ3      LYS  57  -8.962  12.443  -4.313
  426    H    ILE  58           HN       ILE  58  -6.123   7.624  -2.518
  427    HA   ILE  58           HA       ILE  58  -5.861   8.134   0.372
  428    HB   ILE  58           HB       ILE  58  -4.015   6.426  -1.300
  429   HG12  ILE  58          HG12      ILE  58  -6.305   5.283   0.270
  430   HG13  ILE  58          HG11      ILE  58  -6.445   5.641  -1.451
  431   HG21  ILE  58          HG21      ILE  58  -3.589   5.353   0.863
  432   HG22  ILE  58          HG22      ILE  58  -4.732   6.433   1.640
  433   HG23  ILE  58          HG23      ILE  58  -3.239   7.078   0.932
  434   HD11  ILE  58          HD11      ILE  58  -4.419   3.799  -0.217
  435   HD12  ILE  58          HD12      ILE  58  -4.635   4.179  -1.940
  436   HD13  ILE  58          HD13      ILE  58  -5.902   3.314  -1.056
  437    HA   PRO  59           HA       PRO  59  -2.912  10.970  -1.660
  438    HB2  PRO  59           HB2      PRO  59  -3.130  13.008   0.110
  439    HB3  PRO  59           HB1      PRO  59  -4.267  12.792  -1.222
  440    HG2  PRO  59           HG2      PRO  59  -4.623  12.259   1.667
  441    HG3  PRO  59           HG1      PRO  59  -5.829  12.684   0.442
  442    HD2  PRO  59           HD2      PRO  59  -5.294  10.111   1.480
  443    HD3  PRO  59           HD1      PRO  59  -6.321  10.501   0.089
  444    H    ASP  60           HN       ASP  60  -0.778  11.495  -1.031
  445    HA   ASP  60           HA       ASP  60   0.644   9.969   0.664
  446    HB2  ASP  60           HB2      ASP  60   2.470  11.575   0.680
  447    HB3  ASP  60           HB1      ASP  60   1.711  11.585  -0.901
  448    H    ASP  61           HN       ASP  61  -1.070  12.867   1.721
  449    HA   ASP  61           HA       ASP  61   0.034  12.979   4.315
  450    HB2  ASP  61           HB2      ASP  61  -1.186  14.869   3.441
  451    HB3  ASP  61           HB1      ASP  61  -2.673  13.927   3.382
  452    H    ASP  62           HN       ASP  62  -2.864  11.293   3.183
  453    HA   ASP  62           HA       ASP  62  -3.525  10.262   5.795
  454    HB2  ASP  62           HB2      ASP  62  -4.428   9.564   3.019
  455    HB3  ASP  62           HB1      ASP  62  -4.964   8.642   4.421
  456    H    VAL  63           HN       VAL  63  -1.740   9.245   3.106
  457    HA   VAL  63           HA       VAL  63  -1.166   6.629   3.828
  458    HB   VAL  63           HB       VAL  63  -0.007   8.699   2.056
  459   HG11  VAL  63          HG11      VAL  63   1.801   7.202   1.336
  460   HG12  VAL  63          HG12      VAL  63   1.310   6.054   2.585
  461   HG13  VAL  63          HG13      VAL  63   2.015   7.610   3.047
  462   HG21  VAL  63          HG21      VAL  63  -1.819   7.374   1.357
  463   HG22  VAL  63          HG22      VAL  63  -0.917   5.895   1.694
  464   HG23  VAL  63          HG23      VAL  63  -0.384   6.983   0.411
  465    H    LYS  64           HN       LYS  64   0.016   9.607   5.077
  466    HA   LYS  64           HA       LYS  64   2.277   8.521   6.354
  467    HB2  LYS  64           HB2      LYS  64   0.891  11.156   6.839
  468    HB3  LYS  64           HB1      LYS  64   2.459  10.714   7.507
  469    HG2  LYS  64           HG2      LYS  64   3.387  10.538   5.285
  470    HG3  LYS  64           HG1      LYS  64   1.790  10.869   4.599
  471    HD2  LYS  64           HD2      LYS  64   1.817  13.074   5.688
  472    HD3  LYS  64           HD1      LYS  64   3.458  12.747   6.260
  473    HE2  LYS  64           HE2      LYS  64   4.211  12.492   3.955
  474    HE3  LYS  64           HE1      LYS  64   2.575  12.805   3.380
  475    HZ1  LYS  64           HZ1      LYS  64   3.909  14.761   3.220
  476    HZ2  LYS  64           HZ2      LYS  64   4.315  14.679   4.863
  477    HZ3  LYS  64           HZ3      LYS  64   2.710  15.004   4.401
  478    H    ASN  65           HN       ASN  65  -0.783   7.884   6.967
  479    HA   ASN  65           HA       ASN  65  -0.487   7.762   9.866
  480    HB2  ASN  65           HB2      ASN  65  -3.003   8.166   8.213
  481    HB3  ASN  65           HB1      ASN  65  -3.018   7.746   9.922
  482   HD21  ASN  65          HD21      ASN  65  -2.372  10.250   7.587
  483   HD22  ASN  65          HD22      ASN  65  -2.234  11.546   8.696
  484    H    LEU  66           HN       LEU  66   0.035   6.195   7.291
  485    HA   LEU  66           HA       LEU  66  -1.036   3.669   8.226
  486    HB2  LEU  66           HB2      LEU  66  -0.137   4.395   5.423
  487    HB3  LEU  66           HB1      LEU  66  -0.907   2.914   5.955
  488    HG   LEU  66           HG       LEU  66  -2.252   5.618   5.782
  489   HD11  LEU  66          HD11      LEU  66  -2.471   3.214   3.984
  490   HD12  LEU  66          HD12      LEU  66  -1.721   4.762   3.585
  491   HD13  LEU  66          HD13      LEU  66  -3.459   4.672   3.878
  492   HD21  LEU  66          HD21      LEU  66  -3.292   4.220   7.502
  493   HD22  LEU  66          HD22      LEU  66  -3.394   2.883   6.350
  494   HD23  LEU  66          HD23      LEU  66  -4.343   4.323   6.083
  495    H    LYS  67           HN       LYS  67   0.620   2.065   7.922
  496    HA   LYS  67           HA       LYS  67   3.172   2.827   7.089
  497    HB2  LYS  67           HB2      LYS  67   4.329   2.103   9.383
  498    HB3  LYS  67           HB1      LYS  67   3.881   3.758   9.033
  499    HG2  LYS  67           HG2      LYS  67   3.268   3.271  11.276
  500    HG3  LYS  67           HG1      LYS  67   1.800   3.407  10.289
  501    HD2  LYS  67           HD2      LYS  67   1.628   0.974  10.208
  502    HD3  LYS  67           HD1      LYS  67   3.146   0.813  11.092
  503    HE2  LYS  67           HE2      LYS  67   0.699   2.183  12.172
  504    HE3  LYS  67           HE1      LYS  67   1.068   0.486  12.458
  505    HZ1  LYS  67           HZ1      LYS  67   3.082   1.125  13.585
  506    HZ2  LYS  67           HZ2      LYS  67   1.792   1.924  14.301
  507    HZ3  LYS  67           HZ3      LYS  67   2.845   2.753  13.269
  508    H    THR  68           HN       THR  68   1.108   0.304   8.051
  509    HA   THR  68           HA       THR  68   3.105  -1.462   6.840
  510    HB   THR  68           HB       THR  68   1.782  -3.362   7.672
  511    HG1  THR  68           HG1      THR  68   0.322  -1.422   9.162
  512   HG21  THR  68          HG21      THR  68   2.372  -3.183  10.021
  513   HG22  THR  68          HG22      THR  68   2.660  -1.442   9.815
  514   HG23  THR  68          HG23      THR  68   3.656  -2.633   8.947
  515    H    VAL  69           HN       VAL  69   2.063  -3.288   5.669
  516    HA   VAL  69           HA       VAL  69   0.358  -2.437   3.597
  517    HB   VAL  69           HB       VAL  69   0.091  -5.024   3.318
  518   HG11  VAL  69          HG11      VAL  69   2.367  -5.141   2.283
  519   HG12  VAL  69          HG12      VAL  69   2.831  -3.693   3.179
  520   HG13  VAL  69          HG13      VAL  69   1.601  -3.596   1.918
  521   HG21  VAL  69          HG21      VAL  69   2.363  -4.868   5.254
  522   HG22  VAL  69          HG22      VAL  69   1.902  -6.293   4.319
  523   HG23  VAL  69          HG23      VAL  69   0.792  -5.623   5.517
  524    H    GLY  70           HN       GLY  70  -0.139  -3.830   6.709
  525    HA2  GLY  70           HA2      GLY  70  -2.857  -4.546   6.387
  526    HA3  GLY  70           HA1      GLY  70  -2.024  -4.278   7.916
  527    H    ASP  71           HN       ASP  71  -1.205  -1.706   7.611
  528    HA   ASP  71           HA       ASP  71  -3.484  -0.216   8.326
  529    HB2  ASP  71           HB2      ASP  71  -0.775   0.780   7.453
  530    HB3  ASP  71           HB1      ASP  71  -2.062   1.843   8.002
  531    H    ALA  72           HN       ALA  72  -1.651  -0.237   5.311
  532    HA   ALA  72           HA       ALA  72  -3.134   1.644   3.908
  533    HB1  ALA  72           HB1      ALA  72  -2.378   0.506   1.868
  534    HB2  ALA  72           HB2      ALA  72  -1.899  -0.896   2.825
  535    HB3  ALA  72           HB3      ALA  72  -1.067   0.643   3.039
  536    H    THR  73           HN       THR  73  -3.560  -1.898   3.683
  537    HA   THR  73           HA       THR  73  -5.969  -2.139   2.562
  538    HB   THR  73           HB       THR  73  -4.872  -3.692   4.888
  539    HG1  THR  73           HG1      THR  73  -3.404  -4.033   3.390
  540   HG21  THR  73          HG21      THR  73  -6.879  -4.436   2.754
  541   HG22  THR  73          HG22      THR  73  -7.262  -4.140   4.434
  542   HG23  THR  73          HG23      THR  73  -6.261  -5.539   3.992
  543    H    LYS  74           HN       LYS  74  -5.449  -1.653   6.091
  544    HA   LYS  74           HA       LYS  74  -8.093  -1.829   6.896
  545    HB2  LYS  74           HB2      LYS  74  -6.122  -1.903   8.363
  546    HB3  LYS  74           HB1      LYS  74  -5.840  -0.199   8.065
  547    HG2  LYS  74           HG2      LYS  74  -7.954   0.338   9.131
  548    HG3  LYS  74           HG1      LYS  74  -8.236  -1.382   9.429
  549    HD2  LYS  74           HD2      LYS  74  -6.200  -1.484  10.749
  550    HD3  LYS  74           HD1      LYS  74  -5.919   0.236  10.466
  551    HE2  LYS  74           HE2      LYS  74  -8.318  -0.938  11.865
  552    HE3  LYS  74           HE1      LYS  74  -6.949  -0.158  12.658
  553    HZ1  LYS  74           HZ1      LYS  74  -8.782   1.179  10.720
  554    HZ2  LYS  74           HZ2      LYS  74  -7.499   1.903  11.549
  555    HZ3  LYS  74           HZ3      LYS  74  -8.839   1.323  12.398
  556    H    TYR  75           HN       TYR  75  -6.267   0.926   5.632
  557    HA   TYR  75           HA       TYR  75  -8.285   2.866   6.194
  558    HB2  TYR  75           HB2      TYR  75  -5.938   3.508   6.002
  559    HB3  TYR  75           HB1      TYR  75  -5.881   2.883   4.360
  560    HD1  TYR  75           HD1      TYR  75  -7.308   5.525   6.498
  561    HD2  TYR  75           HD2      TYR  75  -6.568   4.219   2.523
  562    HE1  TYR  75           HE1      TYR  75  -7.936   7.739   5.650
  563    HE2  TYR  75           HE2      TYR  75  -7.197   6.424   1.668
  564    HH   TYR  75           HH       TYR  75  -7.568   9.119   3.723
  565    H    ILE  76           HN       ILE  76  -7.169   1.030   3.433
  566    HA   ILE  76           HA       ILE  76  -8.914   2.118   1.586
  567    HB   ILE  76           HB       ILE  76  -7.521  -0.575   1.553
  568   HG12  ILE  76          HG12      ILE  76  -6.796   2.026   0.191
  569   HG13  ILE  76          HG11      ILE  76  -6.084   1.465   1.699
  570   HG21  ILE  76          HG21      ILE  76  -9.441  -0.509   0.018
  571   HG22  ILE  76          HG22      ILE  76  -7.908  -0.545  -0.858
  572   HG23  ILE  76          HG23      ILE  76  -8.806   0.968  -0.710
  573   HD11  ILE  76          HD11      ILE  76  -5.904   0.084  -0.963
  574   HD12  ILE  76          HD12      ILE  76  -5.207  -0.486   0.554
  575   HD13  ILE  76          HD13      ILE  76  -4.626   1.017  -0.173
  576    H    LEU  77           HN       LEU  77  -9.171  -0.806   3.574
  577    HA   LEU  77           HA       LEU  77 -11.668  -1.701   2.591
  578    HB2  LEU  77           HB2      LEU  77 -10.219  -3.072   4.039
  579    HB3  LEU  77           HB1      LEU  77 -10.565  -2.002   5.387
  580    HG   LEU  77           HG       LEU  77 -13.009  -2.563   4.864
  581   HD11  LEU  77          HD11      LEU  77 -11.747  -4.907   3.556
  582   HD12  LEU  77          HD12      LEU  77 -12.801  -3.686   2.840
  583   HD13  LEU  77          HD13      LEU  77 -13.437  -4.801   4.049
  584   HD21  LEU  77          HD21      LEU  77 -11.216  -4.557   6.223
  585   HD22  LEU  77          HD22      LEU  77 -12.968  -4.481   6.403
  586   HD23  LEU  77          HD23      LEU  77 -11.964  -3.139   6.955
  587    H    ASP  78           HN       ASP  78 -10.814   0.734   4.793
  588    HA   ASP  78           HA       ASP  78 -13.466   1.022   5.955
  589    HB2  ASP  78           HB2      ASP  78 -11.546   1.562   7.317
  590    HB3  ASP  78           HB1      ASP  78 -11.020   2.775   6.161
  591    H    HIS  79           HN       HIS  79 -11.461   2.718   3.723
  592    HA   HIS  79           HA       HIS  79 -13.320   4.768   3.129
  593    HB2  HIS  79           HB2      HIS  79 -10.642   4.049   2.439
  594    HB3  HIS  79           HB1      HIS  79 -11.509   4.524   0.994
  595    HD1  HIS  79           HD1      HIS  79 -10.819   6.930   0.579
  596    HD2  HIS  79           HD2      HIS  79 -11.573   6.183   4.610
  597    HE1  HIS  79           HE1      HIS  79 -10.634   9.118   1.712
  598    HE2  HIS  79           HE2      HIS  79 -10.862   8.643   4.147
  599    H    GLN  80           HN       GLN  80 -12.309   1.836   1.330
  600    HA   GLN  80           HA       GLN  80 -12.961   1.061  -0.637
  601    HB2  GLN  80           HB2      GLN  80 -14.934   0.474   1.420
  602    HB3  GLN  80           HB1      GLN  80 -15.185  -0.214  -0.199
  603    HG2  GLN  80           HG2      GLN  80 -12.891  -0.586   1.705
  604    HG3  GLN  80           HG1      GLN  80 -14.029  -1.804   1.136
  605   HE21  GLN  80          HE21      GLN  80 -11.163  -1.789   0.991
  606   HE22  GLN  80          HE22      GLN  80 -10.758  -1.889  -0.692
  607    H    ALA  81           HN       ALA  81 -13.368   1.749  -2.548
  608    HA   ALA  81           HA       ALA  81 -15.852   3.182  -2.906
  609    HB1  ALA  81           HB1      ALA  81 -13.287   3.169  -4.502
  610    HB2  ALA  81           HB2      ALA  81 -13.871   4.479  -3.479
  611    HB3  ALA  81           HB3      ALA  81 -14.747   4.049  -4.948
  612    H2   SHW 101           H2A      SHW 101   3.012   5.193   2.704
  613    H2A  SHW 101           H2B      SHW 101   4.141   3.869   2.899
  614    H3   SHW 101           H3A      SHW 101   1.637   4.254   4.583
  615    HO3  SHW 101           HO3      SHW 101   3.660   3.168   5.389
  616    H4   SHW 101           H4A      SHW 101   0.887   2.164   3.496
  617    H4A  SHW 101           H4B      SHW 101   2.289   2.214   2.448
  618    H5   SHW 101           H5A      SHW 101   1.496   4.264   1.434
  619    H5A  SHW 101           H5B      SHW 101   0.084   4.249   2.496
  620    H6   SHW 101           H6A      SHW 101  -0.566   2.067   1.552
  621    H6A  SHW 101           H6B      SHW 101   0.811   2.151   0.454
  622    H7   SHW 101           H7A      SHW 101  -0.101   4.168  -0.569
  623    H7A  SHW 101           H7B      SHW 101  -1.471   4.122   0.555
  624    H8   SHW 101           H8C      SHW 101  -0.738   1.998  -1.460
  625    H8A  SHW 101           H8A      SHW 101  -2.051   3.163  -1.616
  626    H8B  SHW 101           H8B      SHW 101  -2.106   1.942  -0.346
  627    H28  SHW 101          H28A      SHW 101  12.607  11.824   1.757
  628   H28A  SHW 101          H28B      SHW 101  11.242  10.923   1.070
  629    H30  SHW 101          H30A      SHW 101  12.307  10.004   4.382
  630   H30A  SHW 101          H30B      SHW 101  11.424  11.217   5.309
  631   H30B  SHW 101          H30C      SHW 101  12.839  11.685   4.362
  632    H31  SHW 101          H31A      SHW 101  10.113  12.979   4.127
  633   H31A  SHW 101          H31B      SHW 101  10.075  12.997   2.365
  634   H31B  SHW 101          H31C      SHW 101  11.567  13.396   3.219
  635    H32  SHW 101          H32A      SHW 101   9.430  10.368   4.305
  636   HO33  SHW 101          H33A      SHW 101   8.580  10.276   1.782
  637   HN36  SHW 101          H36A      SHW 101  11.011   8.554   4.449
  638    H37  SHW 101          H37A      SHW 101  10.134   6.475   2.513
  639   H37A  SHW 101          H37B      SHW 101  11.821   6.573   3.008
  640    H38  SHW 101          H38A      SHW 101  10.594   4.769   4.143
  641   H38A  SHW 101          H38B      SHW 101  11.169   5.958   5.317
  642   HN41  SHW 101          H41A      SHW 101   8.567   7.197   3.678
  643    H42  SHW 101          H42A      SHW 101   6.477   5.936   5.223
  644   H42A  SHW 101          H42B      SHW 101   6.750   7.671   5.496
  645    H43  SHW 101          H43A      SHW 101   6.165   6.394   2.842
  646   H43A  SHW 101          H43B      SHW 101   6.193   8.138   3.198
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1 -17.167  -2.490   0.538
    2    H2   ALA   1           HT2      ALA   1 -17.606  -2.192   2.158
    3    H3   ALA   1           HT3      ALA   1 -17.858  -3.719   1.447
    4    HA   ALA   1           HA       ALA   1 -15.219  -2.530   1.875
    5    HB1  ALA   1           HB1      ALA   1 -16.601  -4.830   3.260
    6    HB2  ALA   1           HB2      ALA   1 -16.258  -3.250   3.966
    7    HB3  ALA   1           HB3      ALA   1 -14.932  -4.324   3.518
    8    H    ALA   2           HN       ALA   2 -13.567  -4.357   1.539
    9    HA   ALA   2           HA       ALA   2 -14.406  -6.195  -0.576
   10    HB1  ALA   2           HB1      ALA   2 -12.188  -5.817  -1.645
   11    HB2  ALA   2           HB2      ALA   2 -11.841  -4.559  -0.463
   12    HB3  ALA   2           HB3      ALA   2 -13.149  -4.341  -1.619
   13    H    THR   3           HN       THR   3 -12.649  -8.028  -0.653
   14    HA   THR   3           HA       THR   3 -12.342  -8.841   2.073
   15    HB   THR   3           HB       THR   3 -11.276 -10.886   1.088
   16    HG1  THR   3           HG1      THR   3 -11.971 -10.378  -1.512
   17   HG21  THR   3          HG21      THR   3 -13.270 -11.741  -0.066
   18   HG22  THR   3          HG22      THR   3 -13.890 -10.093  -0.197
   19   HG23  THR   3          HG23      THR   3 -13.692 -10.838   1.390
   20    H    GLN   4           HN       GLN   4 -10.545  -8.645   3.314
   21    HA   GLN   4           HA       GLN   4  -8.702  -6.646   2.782
   22    HB2  GLN   4           HB2      GLN   4  -8.358  -8.969   4.674
   23    HB3  GLN   4           HB1      GLN   4  -7.337  -7.543   4.652
   24    HG2  GLN   4           HG2      GLN   4  -9.341  -6.180   5.163
   25    HG3  GLN   4           HG1      GLN   4 -10.265  -7.672   5.319
   26   HE21  GLN   4          HE21      GLN   4  -7.898  -9.092   6.552
   27   HE22  GLN   4          HE22      GLN   4  -7.849  -8.490   8.157
   28    H    GLU   5           HN       GLU   5  -8.542  -9.970   1.994
   29    HA   GLU   5           HA       GLU   5  -5.726 -10.143   1.537
   30    HB2  GLU   5           HB2      GLU   5  -7.874 -11.939   0.384
   31    HB3  GLU   5           HB1      GLU   5  -6.167 -12.299   0.512
   32    HG2  GLU   5           HG2      GLU   5  -7.299 -13.556   2.181
   33    HG3  GLU   5           HG1      GLU   5  -6.439 -12.263   3.011
   34    H    GLU   6           HN       GLU   6  -8.553  -9.439  -0.413
   35    HA   GLU   6           HA       GLU   6  -7.230  -9.514  -2.919
   36    HB2  GLU   6           HB2      GLU   6  -9.642  -9.830  -2.704
   37    HB3  GLU   6           HB1      GLU   6  -9.810  -8.212  -2.057
   38    HG2  GLU   6           HG2      GLU   6  -9.280  -7.238  -4.154
   39    HG3  GLU   6           HG1      GLU   6  -8.796  -8.799  -4.818
   40    H    ILE   7           HN       ILE   7  -7.881  -7.171  -0.494
   41    HA   ILE   7           HA       ILE   7  -7.107  -4.830  -1.867
   42    HB   ILE   7           HB       ILE   7  -6.936  -5.443   1.091
   43   HG12  ILE   7          HG12      ILE   7  -9.293  -4.507  -0.580
   44   HG13  ILE   7          HG11      ILE   7  -9.125  -5.985   0.317
   45   HG21  ILE   7          HG21      ILE   7  -5.783  -3.384   0.432
   46   HG22  ILE   7          HG22      ILE   7  -7.239  -3.000   1.351
   47   HG23  ILE   7          HG23      ILE   7  -7.231  -2.825  -0.405
   48   HD11  ILE   7          HD11      ILE   7  -9.158  -4.806   2.414
   49   HD12  ILE   7          HD12      ILE   7 -10.588  -4.422   1.457
   50   HD13  ILE   7          HD13      ILE   7  -9.262  -3.264   1.570
   51    H    VAL   8           HN       VAL   8  -5.416  -6.839   0.545
   52    HA   VAL   8           HA       VAL   8  -2.911  -5.727   0.303
   53    HB   VAL   8           HB       VAL   8  -3.767  -8.518   1.116
   54   HG11  VAL   8          HG11      VAL   8  -1.009  -7.292   1.332
   55   HG12  VAL   8          HG12      VAL   8  -1.461  -8.641   0.285
   56   HG13  VAL   8          HG13      VAL   8  -1.518  -8.829   2.040
   57   HG21  VAL   8          HG21      VAL   8  -2.767  -6.128   2.641
   58   HG22  VAL   8          HG22      VAL   8  -3.277  -7.655   3.360
   59   HG23  VAL   8          HG23      VAL   8  -4.442  -6.623   2.522
   60    H    ALA   9           HN       ALA   9  -4.373  -8.317  -1.615
   61    HA   ALA   9           HA       ALA   9  -2.141  -9.042  -3.153
   62    HB1  ALA   9           HB1      ALA   9  -4.214 -10.353  -3.091
   63    HB2  ALA   9           HB2      ALA   9  -3.739  -9.954  -4.749
   64    HB3  ALA   9           HB3      ALA   9  -5.045  -9.064  -3.966
   65    H    GLY  10           HN       GLY  10  -4.530  -6.488  -3.576
   66    HA2  GLY  10           HA2      GLY  10  -3.635  -5.595  -6.113
   67    HA3  GLY  10           HA1      GLY  10  -4.572  -4.655  -4.954
   68    H    LEU  11           HN       LEU  11  -2.936  -4.647  -2.820
   69    HA   LEU  11           HA       LEU  11  -1.130  -2.572  -3.336
   70    HB2  LEU  11           HB2      LEU  11  -1.201  -4.558  -1.068
   71    HB3  LEU  11           HB1      LEU  11  -0.193  -3.129  -1.104
   72    HG   LEU  11           HG       LEU  11  -3.208  -3.055  -1.164
   73   HD11  LEU  11          HD11      LEU  11  -2.405  -4.008   0.930
   74   HD12  LEU  11          HD12      LEU  11  -3.025  -2.374   1.182
   75   HD13  LEU  11          HD13      LEU  11  -1.287  -2.660   1.124
   76   HD21  LEU  11          HD21      LEU  11  -1.127  -0.920  -0.696
   77   HD22  LEU  11          HD22      LEU  11  -2.875  -0.697  -0.606
   78   HD23  LEU  11          HD23      LEU  11  -2.116  -1.102  -2.146
   79    H    ALA  12           HN       ALA  12  -0.608  -5.983  -2.742
   80    HA   ALA  12           HA       ALA  12   2.115  -6.162  -2.881
   81    HB1  ALA  12           HB1      ALA  12   1.776  -8.513  -3.328
   82    HB2  ALA  12           HB2      ALA  12   0.103  -8.198  -3.791
   83    HB3  ALA  12           HB3      ALA  12   0.625  -7.931  -2.129
   84    H    GLU  13           HN       GLU  13  -0.205  -6.368  -5.556
   85    HA   GLU  13           HA       GLU  13   1.879  -6.892  -7.419
   86    HB2  GLU  13           HB2      GLU  13   0.256  -6.483  -9.252
   87    HB3  GLU  13           HB1      GLU  13  -0.330  -7.634  -8.068
   88    HG2  GLU  13           HG2      GLU  13  -1.783  -5.985  -7.124
   89    HG3  GLU  13           HG1      GLU  13  -1.110  -4.734  -8.161
   90    H    ILE  14           HN       ILE  14   0.302  -3.933  -6.562
   91    HA   ILE  14           HA       ILE  14   1.639  -2.178  -8.302
   92    HB   ILE  14           HB       ILE  14   0.647  -1.812  -5.473
   93   HG12  ILE  14          HG12      ILE  14  -0.628  -0.988  -8.067
   94   HG13  ILE  14          HG11      ILE  14  -0.963  -2.518  -7.264
   95   HG21  ILE  14          HG21      ILE  14   2.264  -0.079  -6.006
   96   HG22  ILE  14          HG22      ILE  14   0.629   0.594  -5.952
   97   HG23  ILE  14          HG23      ILE  14   1.407   0.278  -7.506
   98   HD11  ILE  14          HD11      ILE  14  -2.632  -0.865  -6.766
   99   HD12  ILE  14          HD12      ILE  14  -1.380   0.194  -6.070
  100   HD13  ILE  14          HD13      ILE  14  -1.724  -1.391  -5.349
  101    H    VAL  15           HN       VAL  15   2.401  -3.215  -5.015
  102    HA   VAL  15           HA       VAL  15   4.813  -1.852  -4.708
  103    HB   VAL  15           HB       VAL  15   3.886  -4.437  -3.424
  104   HG11  VAL  15          HG11      VAL  15   6.154  -2.618  -2.593
  105   HG12  VAL  15          HG12      VAL  15   6.332  -4.240  -3.257
  106   HG13  VAL  15          HG13      VAL  15   5.569  -4.010  -1.684
  107   HG21  VAL  15          HG21      VAL  15   3.363  -3.000  -1.519
  108   HG22  VAL  15          HG22      VAL  15   2.465  -2.539  -2.966
  109   HG23  VAL  15          HG23      VAL  15   3.863  -1.592  -2.455
  110    H    ASN  16           HN       ASN  16   4.212  -5.154  -5.900
  111    HA   ASN  16           HA       ASN  16   6.940  -5.745  -6.238
  112    HB2  ASN  16           HB2      ASN  16   5.117  -7.423  -6.171
  113    HB3  ASN  16           HB1      ASN  16   4.622  -6.898  -7.776
  114   HD21  ASN  16          HD21      ASN  16   7.134  -8.384  -5.935
  115   HD22  ASN  16          HD22      ASN  16   7.934  -9.177  -7.254
  116    H    GLU  17           HN       GLU  17   4.649  -4.146  -8.264
  117    HA   GLU  17           HA       GLU  17   6.173  -4.163 -10.651
  118    HB2  GLU  17           HB2      GLU  17   3.693  -3.790 -10.413
  119    HB3  GLU  17           HB1      GLU  17   4.058  -2.184  -9.811
  120    HG2  GLU  17           HG2      GLU  17   3.456  -2.082 -12.123
  121    HG3  GLU  17           HG1      GLU  17   5.161  -1.666 -11.940
  122    H    ILE  18           HN       ILE  18   5.642  -1.666  -8.169
  123    HA   ILE  18           HA       ILE  18   7.532   0.182  -9.435
  124    HB   ILE  18           HB       ILE  18   5.917   0.428  -6.884
  125   HG12  ILE  18          HG12      ILE  18   5.452   1.816  -9.463
  126   HG13  ILE  18          HG11      ILE  18   4.697   0.230  -9.176
  127   HG21  ILE  18          HG21      ILE  18   7.412   2.512  -8.477
  128   HG22  ILE  18          HG22      ILE  18   7.892   1.869  -6.907
  129   HG23  ILE  18          HG23      ILE  18   6.405   2.804  -7.055
  130   HD11  ILE  18          HD11      ILE  18   3.171   2.047  -8.750
  131   HD12  ILE  18          HD12      ILE  18   4.338   2.819  -7.677
  132   HD13  ILE  18          HD13      ILE  18   3.595   1.285  -7.218
  133    H    ALA  19           HN       ALA  19   7.167  -1.316  -6.259
  134    HA   ALA  19           HA       ALA  19   9.696  -0.379  -5.243
  135    HB1  ALA  19           HB1      ALA  19   9.061  -1.667  -3.270
  136    HB2  ALA  19           HB2      ALA  19   7.697  -2.355  -4.148
  137    HB3  ALA  19           HB3      ALA  19   7.746  -0.624  -3.810
  138    H    GLY  20           HN       GLY  20   8.299  -3.385  -6.422
  139    HA2  GLY  20           HA2      GLY  20   9.429  -5.136  -7.484
  140    HA3  GLY  20           HA1      GLY  20  10.958  -4.461  -6.931
  141    H    ILE  21           HN       ILE  21   8.403  -4.807  -4.681
  142    HA   ILE  21           HA       ILE  21  10.005  -6.822  -3.299
  143    HB   ILE  21           HB       ILE  21   7.665  -5.179  -2.264
  144   HG12  ILE  21          HG12      ILE  21   9.589  -3.748  -2.732
  145   HG13  ILE  21          HG11      ILE  21   9.339  -3.890  -1.000
  146   HG21  ILE  21          HG21      ILE  21   7.885  -7.279  -1.043
  147   HG22  ILE  21          HG22      ILE  21   8.361  -5.917  -0.026
  148   HG23  ILE  21          HG23      ILE  21   9.593  -6.940  -0.752
  149   HD11  ILE  21          HD11      ILE  21  11.699  -3.967  -1.561
  150   HD12  ILE  21          HD12      ILE  21  11.420  -5.350  -2.618
  151   HD13  ILE  21          HD13      ILE  21  11.174  -5.507  -0.877
  152    HA   PRO  22           HA       PRO  22   7.556 -10.454  -4.441
  153    HB2  PRO  22           HB2      PRO  22   7.589 -10.994  -1.596
  154    HB3  PRO  22           HB1      PRO  22   8.352 -11.881  -2.914
  155    HG2  PRO  22           HG2      PRO  22   9.513  -9.889  -1.116
  156    HG3  PRO  22           HG1      PRO  22  10.331 -11.023  -2.206
  157    HD2  PRO  22           HD2      PRO  22  10.335  -8.362  -2.676
  158    HD3  PRO  22           HD1      PRO  22  10.236  -9.572  -3.986
  159    H    VAL  23           HN       VAL  23   5.652 -10.559  -4.864
  160    HA   VAL  23           HA       VAL  23   3.541  -9.014  -3.853
  161    HB   VAL  23           HB       VAL  23   3.452 -11.685  -5.311
  162   HG11  VAL  23          HG11      VAL  23   1.220 -11.033  -6.064
  163   HG12  VAL  23          HG12      VAL  23   1.309  -9.581  -5.065
  164   HG13  VAL  23          HG13      VAL  23   1.300 -11.173  -4.308
  165   HG21  VAL  23          HG21      VAL  23   3.154 -10.362  -7.345
  166   HG22  VAL  23          HG22      VAL  23   4.705 -10.045  -6.568
  167   HG23  VAL  23          HG23      VAL  23   3.386  -8.884  -6.411
  168    H    GLU  24           HN       GLU  24   4.876 -12.101  -3.017
  169    HA   GLU  24           HA       GLU  24   2.668 -12.552  -1.319
  170    HB2  GLU  24           HB2      GLU  24   3.585 -14.778  -0.776
  171    HB3  GLU  24           HB1      GLU  24   3.372 -14.502  -2.497
  172    HG2  GLU  24           HG2      GLU  24   5.703 -14.219  -2.816
  173    HG3  GLU  24           HG1      GLU  24   5.997 -14.188  -1.075
  174    H    ASP  25           HN       ASP  25   5.659 -11.100  -0.944
  175    HA   ASP  25           HA       ASP  25   5.970 -11.856   1.861
  176    HB2  ASP  25           HB2      ASP  25   7.940 -11.393   0.229
  177    HB3  ASP  25           HB1      ASP  25   7.567  -9.695   0.489
  178    H    VAL  26           HN       VAL  26   4.577  -9.526  -0.079
  179    HA   VAL  26           HA       VAL  26   4.071  -7.505   1.856
  180    HB   VAL  26           HB       VAL  26   2.946  -8.164  -0.896
  181   HG11  VAL  26          HG11      VAL  26   1.104  -7.226   0.434
  182   HG12  VAL  26          HG12      VAL  26   1.632  -6.150  -0.855
  183   HG13  VAL  26          HG13      VAL  26   2.109  -5.819   0.823
  184   HG21  VAL  26          HG21      VAL  26   4.510  -5.832   0.189
  185   HG22  VAL  26          HG22      VAL  26   3.993  -6.035  -1.484
  186   HG23  VAL  26          HG23      VAL  26   5.161  -7.157  -0.777
  187    H    LYS  27           HN       LYS  27   3.438  -8.662   3.577
  188    HA   LYS  27           HA       LYS  27   0.899 -10.138   3.566
  189    HB2  LYS  27           HB2      LYS  27   2.996  -9.778   5.726
  190    HB3  LYS  27           HB1      LYS  27   1.620 -10.881   5.794
  191    HG2  LYS  27           HG2      LYS  27   2.496 -12.149   3.918
  192    HG3  LYS  27           HG1      LYS  27   3.796 -10.967   3.745
  193    HD2  LYS  27           HD2      LYS  27   4.745 -11.625   5.849
  194    HD3  LYS  27           HD1      LYS  27   3.393 -12.725   6.154
  195    HE2  LYS  27           HE2      LYS  27   4.009 -14.110   4.310
  196    HE3  LYS  27           HE1      LYS  27   5.216 -12.945   3.770
  197    HZ1  LYS  27           HZ1      LYS  27   5.387 -14.321   6.399
  198    HZ2  LYS  27           HZ2      LYS  27   6.584 -13.441   5.580
  199    HZ3  LYS  27           HZ3      LYS  27   6.081 -14.930   4.977
  200    H    LEU  28           HN       LEU  28   1.180  -8.990   6.636
  201    HA   LEU  28           HA       LEU  28  -0.155  -6.498   5.908
  202    HB2  LEU  28           HB2      LEU  28  -1.192  -8.586   7.756
  203    HB3  LEU  28           HB1      LEU  28  -1.538  -6.906   8.088
  204    HG   LEU  28           HG       LEU  28  -2.484  -6.809   5.715
  205   HD11  LEU  28          HD11      LEU  28  -1.591  -8.868   4.862
  206   HD12  LEU  28          HD12      LEU  28  -3.350  -8.833   4.793
  207   HD13  LEU  28          HD13      LEU  28  -2.536  -9.793   6.041
  208   HD21  LEU  28          HD21      LEU  28  -4.634  -7.643   6.455
  209   HD22  LEU  28          HD22      LEU  28  -3.797  -6.674   7.684
  210   HD23  LEU  28          HD23      LEU  28  -3.835  -8.437   7.827
  211    H    ASP  29           HN       ASP  29   1.902  -8.085   8.144
  212    HA   ASP  29           HA       ASP  29   2.057  -5.878  10.041
  213    HB2  ASP  29           HB2      ASP  29   2.279  -8.213  10.805
  214    HB3  ASP  29           HB1      ASP  29   3.655  -8.444   9.747
  215    H    LYS  30           HN       LYS  30   3.136  -6.440   7.118
  216    HA   LYS  30           HA       LYS  30   5.905  -5.726   7.328
  217    HB2  LYS  30           HB2      LYS  30   4.106  -6.304   5.036
  218    HB3  LYS  30           HB1      LYS  30   5.712  -5.651   4.790
  219    HG2  LYS  30           HG2      LYS  30   5.184  -8.199   6.307
  220    HG3  LYS  30           HG1      LYS  30   5.545  -8.139   4.576
  221    HD2  LYS  30           HD2      LYS  30   7.650  -6.819   5.250
  222    HD3  LYS  30           HD1      LYS  30   7.281  -7.321   6.884
  223    HE2  LYS  30           HE2      LYS  30   7.557  -9.304   4.650
  224    HE3  LYS  30           HE1      LYS  30   8.931  -8.760   5.600
  225    HZ1  LYS  30           HZ1      LYS  30   6.524 -10.008   6.852
  226    HZ2  LYS  30           HZ2      LYS  30   8.083  -9.762   7.511
  227    HZ3  LYS  30           HZ3      LYS  30   7.845 -10.872   6.278
  228    H    SER  31           HN       SER  31   6.187  -3.598   7.988
  229    HA   SER  31           HA       SER  31   4.842  -1.456   6.839
  230    HB2  SER  31           HB2      SER  31   7.605  -1.607   8.018
  231    HB3  SER  31           HB1      SER  31   6.549  -0.204   7.853
  232    HG   SER  31           HG       SER  31   6.699  -1.891   9.891
  233    H    PHE  32           HN       PHE  32   4.989  -1.110   4.739
  234    HA   PHE  32           HA       PHE  32   6.493  -1.908   2.715
  235    HB2  PHE  32           HB2      PHE  32   5.761   0.964   3.157
  236    HB3  PHE  32           HB1      PHE  32   6.346   0.285   1.667
  237    HD1  PHE  32           HD1      PHE  32   5.013  -1.241   0.326
  238    HD2  PHE  32           HD2      PHE  32   3.578   0.543   3.869
  239    HE1  PHE  32           HE1      PHE  32   2.706  -1.891  -0.311
  240    HE2  PHE  32           HE2      PHE  32   1.240  -0.097   3.241
  241    HZ   PHE  32           HZ       PHE  32   0.883  -1.253   0.956
  242    H    THR  33           HN       THR  33   7.545   1.375   3.596
  243    HA   THR  33           HA       THR  33  10.204   0.720   2.911
  244    HB   THR  33           HB       THR  33  10.071   3.305   3.896
  245    HG1  THR  33           HG1      THR  33   7.961   3.998   3.364
  246   HG21  THR  33          HG21      THR  33   9.563   2.186   1.120
  247   HG22  THR  33          HG22      THR  33  11.134   2.454   1.835
  248   HG23  THR  33          HG23      THR  33  10.085   3.830   1.481
  249    H    ASP  34           HN       ASP  34   9.631  -0.772   5.117
  250    HA   ASP  34           HA       ASP  34  11.636   0.186   6.982
  251    HB2  ASP  34           HB2      ASP  34   9.664   1.175   7.956
  252    HB3  ASP  34           HB1      ASP  34   8.802  -0.353   7.853
  253    H    ASP  35           HN       ASP  35   9.056  -2.246   6.813
  254    HA   ASP  35           HA       ASP  35  10.877  -4.229   7.915
  255    HB2  ASP  35           HB2      ASP  35   8.313  -3.828   8.529
  256    HB3  ASP  35           HB1      ASP  35   8.067  -4.872   7.130
  257    H    LEU  36           HN       LEU  36   8.856  -3.710   5.049
  258    HA   LEU  36           HA       LEU  36   9.932  -5.927   3.575
  259    HB2  LEU  36           HB2      LEU  36   8.611  -3.359   2.629
  260    HB3  LEU  36           HB1      LEU  36   9.044  -4.680   1.575
  261    HG   LEU  36           HG       LEU  36   7.038  -4.919   3.818
  262   HD11  LEU  36          HD11      LEU  36   6.615  -4.510   0.856
  263   HD12  LEU  36          HD12      LEU  36   6.273  -3.325   2.119
  264   HD13  LEU  36          HD13      LEU  36   5.352  -4.827   2.045
  265   HD21  LEU  36          HD21      LEU  36   6.408  -6.965   2.640
  266   HD22  LEU  36          HD22      LEU  36   8.097  -7.011   3.149
  267   HD23  LEU  36          HD23      LEU  36   7.693  -6.683   1.463
  268    H    ASP  37           HN       ASP  37  10.304  -2.425   3.389
  269    HA   ASP  37           HA       ASP  37  12.014  -1.049   3.265
  270    HB2  ASP  37           HB2      ASP  37  13.255  -2.310   4.896
  271    HB3  ASP  37           HB1      ASP  37  13.696  -3.510   3.686
  272    H    VAL  38           HN       VAL  38  11.322  -0.501   1.242
  273    HA   VAL  38           HA       VAL  38  13.105  -1.545  -0.778
  274    HB   VAL  38           HB       VAL  38  10.935  -2.145  -1.391
  275   HG11  VAL  38          HG11      VAL  38   9.992   0.711  -1.071
  276   HG12  VAL  38          HG12      VAL  38   9.632  -0.643  -0.011
  277   HG13  VAL  38          HG13      VAL  38   9.047  -0.653  -1.669
  278   HG21  VAL  38          HG21      VAL  38  10.634  -0.997  -3.548
  279   HG22  VAL  38          HG22      VAL  38  12.314  -1.423  -3.227
  280   HG23  VAL  38          HG23      VAL  38  11.772   0.244  -3.021
  281    H    ASP  39           HN       ASP  39  11.297   1.587  -1.009
  282    HA   ASP  39           HA       ASP  39  13.735   3.084  -0.919
  283    HB2  ASP  39           HB2      ASP  39  13.561   1.969  -3.344
  284    HB3  ASP  39           HB1      ASP  39  12.239   3.155  -3.445
  285    H    SER  40           HN       SER  40  13.123   5.234  -1.868
  286    HA   SER  40           HA       SER  40  10.984   6.208  -0.168
  287    HB2  SER  40           HB2      SER  40  13.098   7.262   0.090
  288    HB3  SER  40           HB1      SER  40  13.247   7.534  -1.646
  289    H    LEU  41           HN       LEU  41  12.072   6.602  -3.508
  290    HA   LEU  41           HA       LEU  41   9.792   8.250  -4.130
  291    HB2  LEU  41           HB2      LEU  41  11.758   7.009  -6.049
  292    HB3  LEU  41           HB1      LEU  41  10.559   8.210  -6.460
  293    HG   LEU  41           HG       LEU  41  13.021   8.577  -4.774
  294   HD11  LEU  41          HD11      LEU  41  13.377   8.583  -7.160
  295   HD12  LEU  41          HD12      LEU  41  13.593  10.205  -6.503
  296   HD13  LEU  41          HD13      LEU  41  12.115   9.794  -7.372
  297   HD21  LEU  41          HD21      LEU  41  12.343  10.916  -4.513
  298   HD22  LEU  41          HD22      LEU  41  11.186   9.825  -3.748
  299   HD23  LEU  41          HD23      LEU  41  10.807  10.561  -5.305
  300    H    SER  42           HN       SER  42  10.634   4.964  -4.316
  301    HA   SER  42           HA       SER  42   8.661   4.129  -6.155
  302    HB2  SER  42           HB2      SER  42   9.967   2.552  -3.930
  303    HB3  SER  42           HB1      SER  42   9.202   1.906  -5.381
  304    HG   SER  42           HG       SER  42  10.984   3.592  -6.283
  305    H    MET  43           HN       MET  43   8.737   4.916  -2.782
  306    HA   MET  43           HA       MET  43   6.432   3.480  -2.004
  307    HB2  MET  43           HB2      MET  43   8.317   4.288  -0.540
  308    HB3  MET  43           HB1      MET  43   7.605   5.890  -0.673
  309    HG2  MET  43           HG2      MET  43   6.983   4.574   1.338
  310    HG3  MET  43           HG1      MET  43   5.635   5.235   0.386
  311    HE1  MET  43           HE1      MET  43   7.876   2.355  -0.699
  312    HE2  MET  43           HE2      MET  43   7.020   0.898  -0.217
  313    HE3  MET  43           HE3      MET  43   7.783   1.935   1.016
  314    H    VAL  44           HN       VAL  44   7.100   6.768  -3.047
  315    HA   VAL  44           HA       VAL  44   4.517   7.790  -2.582
  316    HB   VAL  44           HB       VAL  44   6.634   8.797  -4.514
  317   HG11  VAL  44          HG11      VAL  44   5.549  10.973  -4.235
  318   HG12  VAL  44          HG12      VAL  44   4.324  10.231  -3.205
  319   HG13  VAL  44          HG13      VAL  44   4.440   9.776  -4.906
  320   HG21  VAL  44          HG21      VAL  44   7.560   8.595  -2.267
  321   HG22  VAL  44          HG22      VAL  44   6.201   9.497  -1.602
  322   HG23  VAL  44          HG23      VAL  44   7.339  10.294  -2.688
  323    H    GLU  45           HN       GLU  45   6.143   6.235  -5.344
  324    HA   GLU  45           HA       GLU  45   4.107   6.673  -7.211
  325    HB2  GLU  45           HB2      GLU  45   6.159   4.487  -6.986
  326    HB3  GLU  45           HB1      GLU  45   5.141   4.745  -8.397
  327    HG2  GLU  45           HG2      GLU  45   7.186   6.656  -7.294
  328    HG3  GLU  45           HG1      GLU  45   7.387   5.620  -8.706
  329    H    VAL  46           HN       VAL  46   4.669   4.164  -4.776
  330    HA   VAL  46           HA       VAL  46   2.594   2.413  -5.493
  331    HB   VAL  46           HB       VAL  46   3.778   2.966  -2.732
  332   HG11  VAL  46          HG11      VAL  46   2.799   0.819  -2.036
  333   HG12  VAL  46          HG12      VAL  46   2.005   0.673  -3.604
  334   HG13  VAL  46          HG13      VAL  46   1.547   1.972  -2.502
  335   HG21  VAL  46          HG21      VAL  46   4.274   0.733  -4.702
  336   HG22  VAL  46          HG22      VAL  46   4.992   0.867  -3.098
  337   HG23  VAL  46          HG23      VAL  46   5.375   2.061  -4.337
  338    H    VAL  47           HN       VAL  47   2.649   5.124  -3.225
  339    HA   VAL  47           HA       VAL  47   0.025   5.221  -2.341
  340    HB   VAL  47           HB       VAL  47   1.718   7.593  -3.193
  341   HG11  VAL  47          HG11      VAL  47  -0.565   7.458  -1.232
  342   HG12  VAL  47          HG12      VAL  47  -0.596   8.222  -2.821
  343   HG13  VAL  47          HG13      VAL  47   0.436   8.875  -1.551
  344   HG21  VAL  47          HG21      VAL  47   2.456   7.679  -0.852
  345   HG22  VAL  47          HG22      VAL  47   2.937   6.178  -1.646
  346   HG23  VAL  47          HG23      VAL  47   1.571   6.188  -0.531
  347    H    VAL  48           HN       VAL  48   1.310   7.138  -5.004
  348    HA   VAL  48           HA       VAL  48  -0.984   8.041  -6.234
  349    HB   VAL  48           HB       VAL  48   1.512   7.103  -7.690
  350   HG11  VAL  48          HG11      VAL  48   0.892   8.727  -9.417
  351   HG12  VAL  48          HG12      VAL  48  -0.599   9.089  -8.545
  352   HG13  VAL  48          HG13      VAL  48  -0.346   7.485  -9.227
  353   HG21  VAL  48          HG21      VAL  48   2.041   8.693  -5.926
  354   HG22  VAL  48          HG22      VAL  48   0.821   9.805  -6.543
  355   HG23  VAL  48          HG23      VAL  48   2.251   9.436  -7.512
  356    H    ALA  49           HN       ALA  49   0.669   4.981  -7.086
  357    HA   ALA  49           HA       ALA  49  -1.217   4.200  -9.030
  358    HB1  ALA  49           HB1      ALA  49  -0.147   2.034  -9.008
  359    HB2  ALA  49           HB2      ALA  49   0.656   2.421  -7.488
  360    HB3  ALA  49           HB3      ALA  49   1.069   3.311  -8.954
  361    H    ALA  50           HN       ALA  50  -1.069   3.558  -5.564
  362    HA   ALA  50           HA       ALA  50  -3.022   1.546  -5.476
  363    HB1  ALA  50           HB1      ALA  50  -1.548   2.053  -3.578
  364    HB2  ALA  50           HB2      ALA  50  -3.246   2.078  -3.102
  365    HB3  ALA  50           HB3      ALA  50  -2.376   3.592  -3.350
  366    H    GLU  51           HN       GLU  51  -3.271   5.048  -5.371
  367    HA   GLU  51           HA       GLU  51  -5.999   5.292  -4.832
  368    HB2  GLU  51           HB2      GLU  51  -4.274   7.056  -6.561
  369    HB3  GLU  51           HB1      GLU  51  -5.797   7.490  -5.804
  370    HG2  GLU  51           HG2      GLU  51  -4.744   7.170  -3.594
  371    HG3  GLU  51           HG1      GLU  51  -3.222   6.827  -4.405
  372    H    GLU  52           HN       GLU  52  -4.234   4.751  -7.741
  373    HA   GLU  52           HA       GLU  52  -6.392   5.096  -9.594
  374    HB2  GLU  52           HB2      GLU  52  -4.077   5.584 -10.160
  375    HB3  GLU  52           HB1      GLU  52  -3.616   3.930  -9.824
  376    HG2  GLU  52           HG2      GLU  52  -3.677   4.318 -12.185
  377    HG3  GLU  52           HG1      GLU  52  -4.951   3.193 -11.734
  378    H    ARG  53           HN       ARG  53  -4.808   2.399  -7.984
  379    HA   ARG  53           HA       ARG  53  -6.008   0.386  -9.645
  380    HB2  ARG  53           HB2      ARG  53  -3.748   0.170  -8.700
  381    HB3  ARG  53           HB1      ARG  53  -4.440   0.112  -7.088
  382    HG2  ARG  53           HG2      ARG  53  -3.874  -2.110  -7.823
  383    HG3  ARG  53           HG1      ARG  53  -5.631  -1.956  -7.705
  384    HD2  ARG  53           HD2      ARG  53  -5.728  -1.522 -10.114
  385    HD3  ARG  53           HD1      ARG  53  -3.975  -1.743 -10.189
  386    HE   ARG  53           HE       ARG  53  -4.830  -4.020  -9.059
  387   HH11  ARG  53          HH11      ARG  53  -6.019  -2.351 -11.953
  388   HH12  ARG  53          HH12      ARG  53  -6.221  -3.777 -12.860
  389   HH21  ARG  53          HH21      ARG  53  -5.036  -5.950 -10.294
  390   HH22  ARG  53          HH22      ARG  53  -5.615  -5.901 -11.903
  391    H    PHE  54           HN       PHE  54  -6.529   1.641  -6.405
  392    HA   PHE  54           HA       PHE  54  -8.572  -0.398  -5.906
  393    HB2  PHE  54           HB2      PHE  54  -7.265   1.618  -4.106
  394    HB3  PHE  54           HB1      PHE  54  -8.546   0.535  -3.606
  395    HD1  PHE  54           HD2      PHE  54  -5.108   0.565  -5.028
  396    HD2  PHE  54           HD1      PHE  54  -8.004  -1.559  -2.751
  397    HE1  PHE  54           HE2      PHE  54  -3.455  -1.194  -4.527
  398    HE2  PHE  54           HE1      PHE  54  -6.336  -3.272  -2.240
  399    HZ   PHE  54           HZ       PHE  54  -4.009  -2.943  -2.929
  400    H    ASP  55           HN       ASP  55  -8.413   2.688  -7.111
  401    HA   ASP  55           HA       ASP  55  -9.874   4.338  -7.566
  402    HB2  ASP  55           HB2      ASP  55 -11.879   2.216  -6.818
  403    HB3  ASP  55           HB1      ASP  55 -12.402   3.848  -7.206
  404    H    VAL  56           HN       VAL  56  -8.838   3.834  -4.799
  405    HA   VAL  56           HA       VAL  56 -10.586   5.770  -3.495
  406    HB   VAL  56           HB       VAL  56 -10.761   3.683  -2.280
  407   HG11  VAL  56          HG11      VAL  56  -8.704   2.586  -2.948
  408   HG12  VAL  56          HG12      VAL  56  -8.838   2.602  -1.189
  409   HG13  VAL  56          HG13      VAL  56  -7.761   3.736  -2.002
  410   HG21  VAL  56          HG21      VAL  56 -10.790   5.692  -0.943
  411   HG22  VAL  56          HG22      VAL  56  -9.035   5.647  -0.787
  412   HG23  VAL  56          HG23      VAL  56 -10.018   4.384  -0.045
  413    H    LYS  57           HN       LYS  57  -9.732   7.583  -3.189
  414    HA   LYS  57           HA       LYS  57  -6.995   8.103  -3.845
  415    HB2  LYS  57           HB2      LYS  57  -9.203   9.900  -2.827
  416    HB3  LYS  57           HB1      LYS  57  -7.588  10.465  -3.223
  417    HG2  LYS  57           HG2      LYS  57  -9.448   9.112  -5.163
  418    HG3  LYS  57           HG1      LYS  57  -9.255  10.856  -5.007
  419    HD2  LYS  57           HD2      LYS  57  -6.909   9.070  -5.513
  420    HD3  LYS  57           HD1      LYS  57  -7.918   9.611  -6.854
  421    HE2  LYS  57           HE2      LYS  57  -5.923  11.020  -6.610
  422    HE3  LYS  57           HE1      LYS  57  -7.377  11.947  -6.277
  423    HZ1  LYS  57           HZ1      LYS  57  -5.569  10.792  -4.225
  424    HZ2  LYS  57           HZ2      LYS  57  -6.869  11.865  -3.924
  425    HZ3  LYS  57           HZ3      LYS  57  -5.524  12.383  -4.761
  426    H    ILE  58           HN       ILE  58  -5.706   7.171  -2.378
  427    HA   ILE  58           HA       ILE  58  -5.932   7.979   0.420
  428    HB   ILE  58           HB       ILE  58  -3.748   6.251  -0.774
  429   HG12  ILE  58          HG12      ILE  58  -6.379   5.254   0.352
  430   HG13  ILE  58          HG11      ILE  58  -5.965   5.251  -1.358
  431   HG21  ILE  58          HG21      ILE  58  -4.948   6.458   1.993
  432   HG22  ILE  58          HG22      ILE  58  -3.405   7.140   1.473
  433   HG23  ILE  58          HG23      ILE  58  -3.622   5.389   1.529
  434   HD11  ILE  58          HD11      ILE  58  -4.557   3.725   0.817
  435   HD12  ILE  58          HD12      ILE  58  -4.110   3.725  -0.889
  436   HD13  ILE  58          HD13      ILE  58  -5.663   3.057  -0.384
  437    HA   PRO  59           HA       PRO  59  -3.347  11.187  -1.415
  438    HB2  PRO  59           HB2      PRO  59  -3.438  12.901   0.657
  439    HB3  PRO  59           HB1      PRO  59  -4.726  12.779  -0.554
  440    HG2  PRO  59           HG2      PRO  59  -4.604  11.629   2.205
  441    HG3  PRO  59           HG1      PRO  59  -5.983  12.347   1.352
  442    HD2  PRO  59           HD2      PRO  59  -5.622   9.677   1.612
  443    HD3  PRO  59           HD1      PRO  59  -6.448  10.408   0.221
  444    H    ASP  60           HN       ASP  60  -1.233  11.494  -1.363
  445    HA   ASP  60           HA       ASP  60   0.703  10.217  -0.144
  446    HB2  ASP  60           HB2      ASP  60   0.748  13.160  -0.798
  447    HB3  ASP  60           HB1      ASP  60   2.149  12.115  -0.628
  448    H    ASP  61           HN       ASP  61  -0.926  13.001   1.242
  449    HA   ASP  61           HA       ASP  61   0.880  13.232   3.434
  450    HB2  ASP  61           HB2      ASP  61  -0.615  14.899   4.347
  451    HB3  ASP  61           HB1      ASP  61  -0.406  15.184   2.631
  452    H    ASP  62           HN       ASP  62  -2.304  11.660   3.045
  453    HA   ASP  62           HA       ASP  62  -2.399  11.043   5.884
  454    HB2  ASP  62           HB2      ASP  62  -4.395  11.774   4.429
  455    HB3  ASP  62           HB1      ASP  62  -4.346  10.144   3.774
  456    H    VAL  63           HN       VAL  63  -1.503   9.629   2.941
  457    HA   VAL  63           HA       VAL  63  -1.783   6.916   3.558
  458    HB   VAL  63           HB       VAL  63  -1.242   8.083   1.312
  459   HG11  VAL  63          HG11      VAL  63   0.752   9.227   1.898
  460   HG12  VAL  63          HG12      VAL  63   1.085   8.062   0.617
  461   HG13  VAL  63          HG13      VAL  63   1.561   7.707   2.278
  462   HG21  VAL  63          HG21      VAL  63  -0.205   6.094   0.379
  463   HG22  VAL  63          HG22      VAL  63  -1.545   5.720   1.471
  464   HG23  VAL  63          HG23      VAL  63   0.128   5.509   2.011
  465    H    LYS  64           HN       LYS  64   0.442   9.296   4.605
  466    HA   LYS  64           HA       LYS  64   2.574   7.595   5.328
  467    HB2  LYS  64           HB2      LYS  64   1.945  10.343   6.389
  468    HB3  LYS  64           HB1      LYS  64   3.490   9.511   6.495
  469    HG2  LYS  64           HG2      LYS  64   3.644   9.549   4.035
  470    HG3  LYS  64           HG1      LYS  64   2.139  10.455   3.972
  471    HD2  LYS  64           HD2      LYS  64   3.201  12.200   5.389
  472    HD3  LYS  64           HD1      LYS  64   4.722  11.315   5.262
  473    HE2  LYS  64           HE2      LYS  64   4.585  11.531   2.796
  474    HE3  LYS  64           HE1      LYS  64   3.126  12.501   3.000
  475    HZ1  LYS  64           HZ1      LYS  64   4.468  14.047   4.350
  476    HZ2  LYS  64           HZ2      LYS  64   4.918  13.972   2.740
  477    HZ3  LYS  64           HZ3      LYS  64   5.865  13.184   3.932
  478    H    ASN  65           HN       ASN  65  -0.461   7.941   6.614
  479    HA   ASN  65           HA       ASN  65   0.311   7.374   9.355
  480    HB2  ASN  65           HB2      ASN  65  -2.451   7.460   8.090
  481    HB3  ASN  65           HB1      ASN  65  -2.134   7.194   9.797
  482   HD21  ASN  65          HD21      ASN  65  -2.414   9.459   7.294
  483   HD22  ASN  65          HD22      ASN  65  -2.194  10.900   8.244
  484    H    LEU  66           HN       LEU  66  -0.405   5.715   6.443
  485    HA   LEU  66           HA       LEU  66  -1.565   3.379   7.558
  486    HB2  LEU  66           HB2      LEU  66  -0.120   3.603   4.911
  487    HB3  LEU  66           HB1      LEU  66  -1.236   2.360   5.383
  488    HG   LEU  66           HG       LEU  66  -1.936   5.251   4.877
  489   HD11  LEU  66          HD11      LEU  66  -1.458   4.014   2.857
  490   HD12  LEU  66          HD12      LEU  66  -3.184   4.361   2.987
  491   HD13  LEU  66          HD13      LEU  66  -2.578   2.744   3.349
  492   HD21  LEU  66          HD21      LEU  66  -3.347   4.329   6.637
  493   HD22  LEU  66          HD22      LEU  66  -3.704   2.930   5.619
  494   HD23  LEU  66          HD23      LEU  66  -4.266   4.520   5.140
  495    H    LYS  67           HN       LYS  67   1.600   3.661   5.899
  496    HA   LYS  67           HA       LYS  67   3.655   2.981   6.412
  497    HB2  LYS  67           HB2      LYS  67   2.463   2.372   9.107
  498    HB3  LYS  67           HB1      LYS  67   4.141   2.023   8.723
  499    HG2  LYS  67           HG2      LYS  67   2.945   4.742   8.402
  500    HG3  LYS  67           HG1      LYS  67   3.682   4.184   9.911
  501    HD2  LYS  67           HD2      LYS  67   5.703   3.742   8.852
  502    HD3  LYS  67           HD1      LYS  67   5.067   4.063   7.261
  503    HE2  LYS  67           HE2      LYS  67   6.375   6.010   8.062
  504    HE3  LYS  67           HE1      LYS  67   4.681   6.424   7.824
  505    HZ1  LYS  67           HZ1      LYS  67   5.951   5.803  10.448
  506    HZ2  LYS  67           HZ2      LYS  67   4.339   6.252  10.230
  507    HZ3  LYS  67           HZ3      LYS  67   5.574   7.340   9.874
  508    H    THR  68           HN       THR  68   1.199   0.719   7.379
  509    HA   THR  68           HA       THR  68   2.976  -1.361   6.427
  510    HB   THR  68           HB       THR  68   1.547  -2.860   7.814
  511    HG1  THR  68           HG1      THR  68   0.657  -1.204   9.588
  512   HG21  THR  68          HG21      THR  68   3.106  -0.607   9.055
  513   HG22  THR  68          HG22      THR  68   3.688  -2.163   8.456
  514   HG23  THR  68          HG23      THR  68   2.650  -2.114   9.898
  515    H    VAL  69           HN       VAL  69   2.131  -3.053   5.361
  516    HA   VAL  69           HA       VAL  69   0.297  -2.500   3.353
  517    HB   VAL  69           HB       VAL  69   0.348  -5.095   3.155
  518   HG11  VAL  69          HG11      VAL  69   2.606  -4.970   2.127
  519   HG12  VAL  69          HG12      VAL  69   2.901  -3.463   2.989
  520   HG13  VAL  69          HG13      VAL  69   1.669  -3.532   1.727
  521   HG21  VAL  69          HG21      VAL  69   2.570  -4.605   5.087
  522   HG22  VAL  69          HG22      VAL  69   2.286  -6.105   4.202
  523   HG23  VAL  69          HG23      VAL  69   1.102  -5.536   5.379
  524    H    GLY  70           HN       GLY  70  -0.146  -3.814   6.553
  525    HA2  GLY  70           HA2      GLY  70  -2.793  -4.774   6.082
  526    HA3  GLY  70           HA1      GLY  70  -2.009  -4.565   7.642
  527    H    ASP  71           HN       ASP  71  -1.370  -1.774   7.359
  528    HA   ASP  71           HA       ASP  71  -3.925  -0.761   8.178
  529    HB2  ASP  71           HB2      ASP  71  -1.610  -0.165   9.118
  530    HB3  ASP  71           HB1      ASP  71  -1.463   0.887   7.720
  531    H    ALA  72           HN       ALA  72  -1.847  -0.535   5.383
  532    HA   ALA  72           HA       ALA  72  -3.134   1.461   3.926
  533    HB1  ALA  72           HB1      ALA  72  -1.060   0.377   3.175
  534    HB2  ALA  72           HB2      ALA  72  -2.298   0.286   1.921
  535    HB3  ALA  72           HB3      ALA  72  -1.937  -1.130   2.909
  536    H    THR  73           HN       THR  73  -3.686  -2.088   3.654
  537    HA   THR  73           HA       THR  73  -6.069  -2.248   2.539
  538    HB   THR  73           HB       THR  73  -5.035  -3.733   4.943
  539    HG1  THR  73           HG1      THR  73  -3.584  -4.255   3.465
  540   HG21  THR  73          HG21      THR  73  -7.411  -4.162   4.542
  541   HG22  THR  73          HG22      THR  73  -6.462  -5.584   4.076
  542   HG23  THR  73          HG23      THR  73  -7.079  -4.468   2.846
  543    H    LYS  74           HN       LYS  74  -5.603  -1.817   6.100
  544    HA   LYS  74           HA       LYS  74  -8.213  -1.638   6.919
  545    HB2  LYS  74           HB2      LYS  74  -6.376  -1.689   8.486
  546    HB3  LYS  74           HB1      LYS  74  -5.783  -0.144   7.913
  547    HG2  LYS  74           HG2      LYS  74  -6.824   0.120  10.063
  548    HG3  LYS  74           HG1      LYS  74  -7.784   0.946   8.840
  549    HD2  LYS  74           HD2      LYS  74  -9.353  -0.934   8.809
  550    HD3  LYS  74           HD1      LYS  74  -8.377  -1.776  10.016
  551    HE2  LYS  74           HE2      LYS  74  -8.717   0.111  11.568
  552    HE3  LYS  74           HE1      LYS  74  -9.759   0.878  10.374
  553    HZ1  LYS  74           HZ1      LYS  74 -10.922  -0.324  12.151
  554    HZ2  LYS  74           HZ2      LYS  74 -10.307  -1.798  11.553
  555    HZ3  LYS  74           HZ3      LYS  74 -11.356  -0.865  10.621
  556    H    TYR  75           HN       TYR  75  -6.347   0.882   5.335
  557    HA   TYR  75           HA       TYR  75  -8.270   2.978   5.765
  558    HB2  TYR  75           HB2      TYR  75  -5.866   3.443   5.246
  559    HB3  TYR  75           HB1      TYR  75  -6.103   2.767   3.644
  560    HD1  TYR  75           HD2      TYR  75  -7.629   4.009   2.021
  561    HD2  TYR  75           HD1      TYR  75  -6.392   5.702   5.724
  562    HE1  TYR  75           HE2      TYR  75  -8.260   6.241   1.208
  563    HE2  TYR  75           HE1      TYR  75  -7.011   7.949   4.892
  564    HH   TYR  75           HH       TYR  75  -7.513   9.132   2.981
  565    H    ILE  76           HN       ILE  76  -7.294   1.040   3.011
  566    HA   ILE  76           HA       ILE  76  -9.205   1.865   1.189
  567    HB   ILE  76           HB       ILE  76  -7.748  -0.777   1.343
  568   HG12  ILE  76          HG12      ILE  76  -6.993   1.759  -0.115
  569   HG13  ILE  76          HG11      ILE  76  -6.330   1.284   1.441
  570   HG21  ILE  76          HG21      ILE  76  -8.091  -0.821  -1.087
  571   HG22  ILE  76          HG22      ILE  76  -8.991   0.693  -0.993
  572   HG23  ILE  76          HG23      ILE  76  -9.637  -0.766  -0.237
  573   HD11  ILE  76          HD11      ILE  76  -6.059  -0.237  -1.135
  574   HD12  ILE  76          HD12      ILE  76  -5.388  -0.711   0.428
  575   HD13  ILE  76          HD13      ILE  76  -4.815   0.755  -0.372
  576    H    LEU  77           HN       LEU  77  -9.129  -0.996   3.252
  577    HA   LEU  77           HA       LEU  77 -11.442  -2.353   2.629
  578    HB2  LEU  77           HB2      LEU  77  -9.795  -3.148   4.204
  579    HB3  LEU  77           HB1      LEU  77 -10.165  -1.846   5.311
  580    HG   LEU  77           HG       LEU  77 -12.434  -2.849   5.608
  581   HD11  LEU  77          HD11      LEU  77 -12.574  -4.100   3.556
  582   HD12  LEU  77          HD12      LEU  77 -12.770  -5.156   4.956
  583   HD13  LEU  77          HD13      LEU  77 -11.242  -5.132   4.076
  584   HD21  LEU  77          HD21      LEU  77 -10.651  -3.194   7.222
  585   HD22  LEU  77          HD22      LEU  77 -10.077  -4.584   6.300
  586   HD23  LEU  77          HD23      LEU  77 -11.658  -4.635   7.074
  587    H    ASP  78           HN       ASP  78 -11.016   0.453   4.555
  588    HA   ASP  78           HA       ASP  78 -13.828   0.573   5.372
  589    HB2  ASP  78           HB2      ASP  78 -12.098   1.216   6.973
  590    HB3  ASP  78           HB1      ASP  78 -11.558   2.490   5.887
  591    H    HIS  79           HN       HIS  79 -11.565   2.520   3.588
  592    HA   HIS  79           HA       HIS  79 -13.453   4.536   2.818
  593    HB2  HIS  79           HB2      HIS  79 -10.549   4.082   2.405
  594    HB3  HIS  79           HB1      HIS  79 -11.311   5.356   1.504
  595    HD1  HIS  79           HD1      HIS  79 -11.485   7.589   2.738
  596    HD2  HIS  79           HD2      HIS  79 -10.668   4.419   5.319
  597    HE1  HIS  79           HE1      HIS  79 -10.921   8.628   4.916
  598    HE2  HIS  79           HE2      HIS  79 -10.549   6.759   6.499
  599    H    GLN  80           HN       GLN  80 -13.178   1.602   1.605
  600    HA   GLN  80           HA       GLN  80 -12.743   1.256  -0.968
  601    HB2  GLN  80           HB2      GLN  80 -15.182   0.523   0.518
  602    HB3  GLN  80           HB1      GLN  80 -14.965  -0.001  -1.147
  603    HG2  GLN  80           HG2      GLN  80 -13.150  -0.627   1.173
  604    HG3  GLN  80           HG1      GLN  80 -14.336  -1.713   0.442
  605   HE21  GLN  80          HE21      GLN  80 -11.445  -1.910   0.708
  606   HE22  GLN  80          HE22      GLN  80 -10.861  -2.182  -0.901
  607    H    ALA  81           HN       ALA  81 -12.855   2.551  -2.569
  608    HA   ALA  81           HA       ALA  81 -13.504   3.950  -4.158
  609    HB1  ALA  81           HB1      ALA  81 -15.821   2.043  -4.296
  610    HB2  ALA  81           HB2      ALA  81 -14.199   1.736  -4.919
  611    HB3  ALA  81           HB3      ALA  81 -15.182   3.029  -5.610
  612    H2   SHW 101           H2A      SHW 101   3.260   6.240   2.531
  613    H2A  SHW 101           H2B      SHW 101   4.169   4.928   1.812
  614    H3   SHW 101           H3A      SHW 101   2.681   4.825   4.444
  615    HO3  SHW 101           HO3      SHW 101   4.773   3.411   3.707
  616    H4   SHW 101           H4A      SHW 101   1.266   4.758   2.441
  617    H4A  SHW 101           H4B      SHW 101   1.295   3.183   3.221
  618    H5   SHW 101           H5A      SHW 101   2.726   2.278   1.558
  619    H5A  SHW 101           H5B      SHW 101   3.080   3.868   0.892
  620    H6   SHW 101           H6A      SHW 101   1.539   2.662  -0.550
  621    H6A  SHW 101           H6B      SHW 101   0.769   4.089   0.137
  622    H7   SHW 101           H7A      SHW 101  -0.354   2.689   1.808
  623    H7A  SHW 101           H7B      SHW 101   0.402   1.253   1.091
  624    H8   SHW 101           H8C      SHW 101  -0.709   1.756  -1.030
  625    H8A  SHW 101           H8A      SHW 101  -1.444   3.187  -0.310
  626    H8B  SHW 101           H8B      SHW 101  -1.884   1.582   0.272
  627    H28  SHW 101          H28A      SHW 101  11.067  11.195   1.496
  628   H28A  SHW 101          H28B      SHW 101  10.865   9.446   1.643
  629    H30  SHW 101          H30A      SHW 101  12.211  12.445   3.252
  630   H30A  SHW 101          H30B      SHW 101  13.573  11.329   3.168
  631   H30B  SHW 101          H30C      SHW 101  12.785  11.641   4.714
  632    H31  SHW 101          H31A      SHW 101   9.948  11.625   3.669
  633   H31A  SHW 101          H31B      SHW 101  10.466  10.769   5.121
  634   H31B  SHW 101          H31C      SHW 101   9.638   9.896   3.831
  635    H32  SHW 101          H32A      SHW 101  13.232   8.821   3.535
  636   HO33  SHW 101          H33A      SHW 101  11.777   8.963   5.880
  637   HN36  SHW 101          H36A      SHW 101  12.604   7.077   5.108
  638    H37  SHW 101          H37A      SHW 101  10.512   5.407   3.774
  639   H37A  SHW 101          H37B      SHW 101  11.992   4.807   4.473
  640    H38  SHW 101          H38A      SHW 101  10.345   4.150   5.923
  641   H38A  SHW 101          H38B      SHW 101  11.163   5.498   6.749
  642   HN41  SHW 101          H41A      SHW 101   9.239   6.757   4.354
  643    H42  SHW 101          H42A      SHW 101   6.676   6.447   5.372
  644   H42A  SHW 101          H42B      SHW 101   7.341   8.016   5.907
  645    H43  SHW 101          H43A      SHW 101   7.449   7.051   3.068
  646   H43A  SHW 101          H43B      SHW 101   7.347   8.758   3.598