*HEADER    ANTIMICROBIAL PROTEIN                   12-MAY-18   6GIJ              
*TITLE     NMR STRUCTURE OF TEMPORIN B KKG6A IN SDS MICELLES                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TEMPORINB_KKG6A;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: TEMPORINB_KKG6A IS AN ANALOGUE OF THE ANTIMICROBIAL   
*COMPND   6 PEPTIDE TEMPORINB FROM RANA TEMPORARIA, OBTAINED BY FURTHER          
*COMPND   7 OPTIMIZATION OF AN ANALOGUE OBTAINED THROUGH ALANINE SCANNING OF THE 
*COMPND   8 ORIGINAL PEPTIDE SEQUENCE                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630;                                               
*SOURCE   5 OTHER_DETAILS: THE ORIGINAL PEPTIDE SEQUENCE IS FROM RANA TEMPORARIA 
*KEYWDS    AMP, TEMPORIN B ANALOGUE, STRUCTURAL MODIFICATION, ANTIMICROBIAL      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.MANZO,J.A.MASON                                                     
*REVDAT   1   13-JUN-18 6GIJ    0                                                
# Restraints file 1: TBK-noes.tab
VARS INDEX GROUP RESID_I RESNAME_I ATOMNAME_I SEGNAME_I RESID_J RESNAME_J ATOMNAME_J SEGNAME_J D_LO D_HI FC W S
FORMAT %4d %3d  %5d %6s %6s %4s  %5d %6s %6s %4s  %9.3f %9.3f %.2f %.2f %.2f

   1  1    9 ASN  HA      A   13 SER   HN     A    0.000   5.000 100.0 1.0 1.0
   2  1    9 ASN  HA      A   10 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
   3  1    2 LYS  HA      A    4 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
   4  1    5 PRO  HA      A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   5  1    3 LEU  HA      A    7 VAL   HN     A    0.000   5.000 100.0 1.0 1.0
   6  1    1 LYS  HA      A    2 LYS   HN     A    0.000   2.700 100.0 1.0 1.0
   7  1    8 ALA  HA      A    9 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
   8  1    8 ALA  HA      A   11 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
   9  1    6 ILE  HA      A   10 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  10  1    6 ILE  HA      A    7 VAL   HN     A    0.000   5.000 100.0 1.0 1.0
  11  1    7 VAL  HA      A   10 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  12  1    7 VAL  HA      A    8 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  13  1    9 ASN  HB1     A   10 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  13  2    9 ASN  HB2     A   10 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  14  1    5 PRO  HB1     A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  14  2    5 PRO  HB2     A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  15  1    7 VAL  HB      A    8 ALA   HN     A    0.000   2.700 100.0 1.0 1.0
  16  1    6 ILE  HB      A    7 VAL   HN     A    0.000   3.300 100.0 1.0 1.0
  17  1    8 ALA  HB1     A    9 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  17  1    8 ALA  HB2     A    9 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  17  1    8 ALA  HB3     A    9 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  18  1   10 LEU  HN      A    9 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  19  1    8 ALA  HN      A    7 VAL   HN     A    0.000   2.700 100.0 1.0 1.0
  20  1   12 LYS  HN      A   13 SER   HN     A    0.000   3.300 100.0 1.0 1.0
  21  1    6 ILE  HN      A    7 VAL   HN     A    0.000   3.300 100.0 1.0 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1  20.386  13.647   0.047
    2    H2   LYS   1           HT2      LYS   1  19.223  13.857   1.269
    3    H3   LYS   1           HT3      LYS   1  19.197  14.843  -0.115
    4    HA   LYS   1           HA       LYS   1  17.715  12.653   0.257
    5    HB2  LYS   1           HB2      LYS   1  17.540  14.558  -1.435
    6    HB3  LYS   1           HB1      LYS   1  18.675  13.641  -2.454
    7    HG2  LYS   1           HG2      LYS   1  17.053  11.649  -2.195
    8    HG3  LYS   1           HG1      LYS   1  15.888  12.823  -1.540
    9    HD2  LYS   1           HD2      LYS   1  17.215  12.923  -4.286
   10    HD3  LYS   1           HD1      LYS   1  15.510  12.542  -3.949
   11    HE2  LYS   1           HE2      LYS   1  16.952  15.195  -3.633
   12    HE3  LYS   1           HE1      LYS   1  15.483  14.835  -4.567
   13    HZ1  LYS   1           HZ1      LYS   1  14.669  15.835  -2.666
   14    HZ2  LYS   1           HZ2      LYS   1  15.805  15.097  -1.641
   15    HZ3  LYS   1           HZ3      LYS   1  14.521  14.190  -2.285
   16    H    LYS   2           HN       LYS   2  19.494  11.185   1.158
   17    HA   LYS   2           HA       LYS   2  20.831   9.301   0.912
   18    HB2  LYS   2           HB2      LYS   2  18.968   9.093  -1.480
   19    HB3  LYS   2           HB1      LYS   2  20.174   7.835  -1.127
   20    HG2  LYS   2           HG2      LYS   2  17.917   7.340  -0.147
   21    HG3  LYS   2           HG1      LYS   2  19.204   7.445   1.077
   22    HD2  LYS   2           HD2      LYS   2  18.491   9.590   1.821
   23    HD3  LYS   2           HD1      LYS   2  17.504   9.867   0.365
   24    HE2  LYS   2           HE2      LYS   2  16.082   9.308   2.314
   25    HE3  LYS   2           HE1      LYS   2  15.971   8.048   1.062
   26    HZ1  LYS   2           HZ1      LYS   2  17.445   7.974   3.631
   27    HZ2  LYS   2           HZ2      LYS   2  17.833   6.917   2.358
   28    HZ3  LYS   2           HZ3      LYS   2  16.280   6.889   3.046
   29    H    LEU   3           HN       LEU   3  22.045   7.979  -1.067
   30    HA   LEU   3           HA       LEU   3  23.929   8.076  -2.407
   31    HB2  LEU   3           HB2      LEU   3  23.053  10.850  -3.290
   32    HB3  LEU   3           HB1      LEU   3  24.013   9.653  -4.189
   33    HG   LEU   3           HG       LEU   3  21.068   9.413  -3.426
   34   HD11  LEU   3          HD11      LEU   3  20.679   9.552  -5.827
   35   HD12  LEU   3          HD12      LEU   3  22.430   9.568  -6.150
   36   HD13  LEU   3          HD13      LEU   3  21.662  10.950  -5.332
   37   HD21  LEU   3          HD21      LEU   3  21.945   7.193  -3.310
   38   HD22  LEU   3          HD22      LEU   3  23.035   7.460  -4.692
   39   HD23  LEU   3          HD23      LEU   3  21.279   7.325  -4.953
   40    H    LEU   4           HN       LEU   4  23.390   9.871   0.256
   41    HA   LEU   4           HA       LEU   4  25.649  11.724   0.106
   42    HB2  LEU   4           HB2      LEU   4  24.391  10.711   2.675
   43    HB3  LEU   4           HB1      LEU   4  25.170  12.276   2.357
   44    HG   LEU   4           HG       LEU   4  22.549  11.302   1.145
   45   HD11  LEU   4          HD11      LEU   4  22.364  11.919   3.522
   46   HD12  LEU   4          HD12      LEU   4  21.576  13.146   2.502
   47   HD13  LEU   4          HD13      LEU   4  23.183  13.465   3.198
   48   HD21  LEU   4          HD21      LEU   4  24.210  13.828   0.762
   49   HD22  LEU   4          HD22      LEU   4  22.471  13.769   0.385
   50   HD23  LEU   4          HD23      LEU   4  23.606  12.714  -0.486
   51    HA   PRO   5           HA       PRO   5  27.971   8.333   2.458
   52    HB2  PRO   5           HB2      PRO   5  27.008   5.833   2.741
   53    HB3  PRO   5           HB1      PRO   5  26.361   7.184   3.727
   54    HG2  PRO   5           HG2      PRO   5  25.165   5.828   1.333
   55    HG3  PRO   5           HG1      PRO   5  24.362   6.491   2.789
   56    HD2  PRO   5           HD2      PRO   5  24.634   7.807   0.261
   57    HD3  PRO   5           HD1      PRO   5  24.102   8.566   1.795
   58    H    ILE   6           HN       ILE   6  27.820   8.848  -0.404
   59    HA   ILE   6           HA       ILE   6  29.450   6.529  -1.340
   60    HB   ILE   6           HB       ILE   6  27.244   7.682  -3.104
   61   HG12  ILE   6          HG12      ILE   6  27.208   5.185  -1.346
   62   HG13  ILE   6          HG11      ILE   6  26.147   6.605  -1.198
   63   HG21  ILE   6          HG21      ILE   6  27.763   5.844  -4.548
   64   HG22  ILE   6          HG22      ILE   6  28.720   5.024  -3.291
   65   HG23  ILE   6          HG23      ILE   6  29.336   6.510  -4.054
   66   HD11  ILE   6           HD1      ILE   6  24.829   5.021  -2.377
   67   HD12  ILE   6           HD2      ILE   6  26.197   4.504  -3.389
   68   HD13  ILE   6           HD3      ILE   6  25.446   6.097  -3.652
   69    H    VAL   7           HN       VAL   7  27.960   9.614  -2.454
   70    HA   VAL   7           HA       VAL   7  30.134  10.303  -4.151
   71    HB   VAL   7           HB       VAL   7  28.241  12.191  -2.743
   72   HG11  VAL   7          HG11      VAL   7  30.070  13.391  -3.783
   73   HG12  VAL   7          HG12      VAL   7  28.655  13.565  -4.848
   74   HG13  VAL   7          HG13      VAL   7  29.946  12.411  -5.263
   75   HG21  VAL   7          HG21      VAL   7  26.780  11.947  -4.697
   76   HG22  VAL   7          HG22      VAL   7  27.079  10.342  -3.990
   77   HG23  VAL   7          HG23      VAL   7  27.941  10.839  -5.466
   78    H    ALA   8           HN       ALA   8  29.495  10.641  -0.919
   79    HA   ALA   8           HA       ALA   8  31.596  12.580  -0.288
   80    HB1  ALA   8           HB1      ALA   8  29.609  12.426   1.116
   81    HB2  ALA   8           HB2      ALA   8  31.055  12.013   2.068
   82    HB3  ALA   8           HB3      ALA   8  29.972  10.725   1.488
   83    H    ASN   9           HN       ASN   9  31.299   9.087  -0.510
   84    HA   ASN   9           HA       ASN   9  33.691   8.481   1.013
   85    HB2  ASN   9           HB2      ASN   9  31.873   6.836   0.557
   86    HB3  ASN   9           HB1      ASN   9  32.325   6.851  -1.165
   87   HD21  ASN   9          HD21      ASN   9  32.604   4.826   1.317
   88   HD22  ASN   9          HD22      ASN   9  34.254   4.236   1.093
   89    H    LEU  10           HN       LEU  10  32.965   9.058  -2.424
   90    HA   LEU  10           HA       LEU  10  35.685   8.436  -3.288
   91    HB2  LEU  10           HB2      LEU  10  33.566   8.280  -4.707
   92    HB3  LEU  10           HB1      LEU  10  33.576  10.056  -4.759
   93    HG   LEU  10           HG       LEU  10  36.087   9.758  -5.579
   94   HD11  LEU  10          HD11      LEU  10  36.316   7.679  -6.995
   95   HD12  LEU  10          HD12      LEU  10  34.852   7.037  -6.218
   96   HD13  LEU  10          HD13      LEU  10  36.310   7.351  -5.249
   97   HD21  LEU  10          HD21      LEU  10  34.254  10.698  -6.950
   98   HD22  LEU  10          HD22      LEU  10  33.711   9.054  -7.361
   99   HD23  LEU  10          HD23      LEU  10  35.295   9.635  -7.926
  100    H    LEU  11           HN       LEU  11  33.874  11.313  -2.312
  101    HA   LEU  11           HA       LEU  11  35.598  13.310  -3.323
  102    HB2  LEU  11           HB2      LEU  11  33.314  13.442  -2.008
  103    HB3  LEU  11           HB1      LEU  11  34.346  13.562  -0.569
  104    HG   LEU  11           HG       LEU  11  34.424  15.396  -3.009
  105   HD11  LEU  11          HD11      LEU  11  33.667  15.990  -0.117
  106   HD12  LEU  11          HD12      LEU  11  32.483  15.643  -1.399
  107   HD13  LEU  11          HD13      LEU  11  33.524  17.082  -1.514
  108   HD21  LEU  11          HD21      LEU  11  35.980  16.731  -1.391
  109   HD22  LEU  11          HD22      LEU  11  36.667  15.318  -2.221
  110   HD23  LEU  11          HD23      LEU  11  36.162  15.191  -0.518
  111    H    LYS  12           HN       LYS  12  35.568  12.387   0.150
  112    HA   LYS  12           HA       LYS  12  38.326  13.281   0.458
  113    HB2  LYS  12           HB2      LYS  12  36.429  11.764   2.291
  114    HB3  LYS  12           HB1      LYS  12  38.053  12.313   2.771
  115    HG2  LYS  12           HG2      LYS  12  37.419  14.652   2.223
  116    HG3  LYS  12           HG1      LYS  12  35.787  14.096   1.777
  117    HD2  LYS  12           HD2      LYS  12  35.433  13.246   4.068
  118    HD3  LYS  12           HD1      LYS  12  37.074  13.764   4.523
  119    HE2  LYS  12           HE2      LYS  12  34.860  15.612   3.529
  120    HE3  LYS  12           HE1      LYS  12  35.358  15.423   5.227
  121    HZ1  LYS  12           HZ1      LYS  12  36.638  16.867   3.077
  122    HZ2  LYS  12           HZ2      LYS  12  37.702  15.887   3.969
  123    HZ3  LYS  12           HZ3      LYS  12  36.772  17.072   4.756
  124    H    SER  13           HN       SER  13  37.258  10.203   1.802
  125    HA   SER  13           HA       SER  13  38.746   8.550  -0.062
  126    HB2  SER  13           HB2      SER  13  40.026   9.189   2.623
  127    HB3  SER  13           HB1      SER  13  40.512   7.838   1.576
  128    HG   SER  13           HG       SER  13  41.482   9.211   0.302
  129    H    LEU  14           HN       LEU  14  39.128   7.717   3.272
  130    HA   LEU  14           HA       LEU  14  37.325   5.453   2.975
  131    HB2  LEU  14           HB2      LEU  14  38.474   6.514   5.582
  132    HB3  LEU  14           HB1      LEU  14  38.009   4.844   5.180
  133    HG   LEU  14           HG       LEU  14  40.294   6.408   3.892
  134   HD11  LEU  14          HD11      LEU  14  41.749   4.873   5.133
  135   HD12  LEU  14          HD12      LEU  14  40.331   4.042   5.818
  136   HD13  LEU  14          HD13      LEU  14  40.680   5.729   6.270
  137   HD21  LEU  14          HD21      LEU  14  39.164   3.607   3.482
  138   HD22  LEU  14          HD22      LEU  14  40.839   4.017   3.040
  139   HD23  LEU  14          HD23      LEU  14  39.484   4.859   2.258
  140    H    LEU  15           HN       LEU  15  37.309   8.338   5.121
  141    HA   LEU  15           HA       LEU  15  34.585   7.822   6.001
  142    HB2  LEU  15           HB2      LEU  15  36.035  10.485   6.152
  143    HB3  LEU  15           HB1      LEU  15  34.799   9.830   7.253
  144    HG   LEU  15           HG       LEU  15  37.634   8.767   6.875
  145   HD11  LEU  15          HD11      LEU  15  38.013   9.571   9.129
  146   HD12  LEU  15          HD12      LEU  15  36.297  10.003   9.319
  147   HD13  LEU  15          HD13      LEU  15  37.325  10.915   8.188
  148   HD21  LEU  15          HD21      LEU  15  35.245   7.764   8.478
  149   HD22  LEU  15          HD22      LEU  15  36.918   7.340   8.918
  150   HD23  LEU  15          HD23      LEU  15  36.266   6.859   7.335
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1  17.371   4.162  -4.863
    2    H2   LYS   1           HT2      LYS   1  17.752   5.692  -5.497
    3    H3   LYS   1           HT3      LYS   1  16.357   5.483  -4.549
    4    HA   LYS   1           HA       LYS   1  17.612   6.286  -2.934
    5    HB2  LYS   1           HB2      LYS   1  18.690   3.446  -3.138
    6    HB3  LYS   1           HB1      LYS   1  18.790   4.492  -1.701
    7    HG2  LYS   1           HG2      LYS   1  16.226   4.684  -1.843
    8    HG3  LYS   1           HG1      LYS   1  16.294   3.350  -3.019
    9    HD2  LYS   1           HD2      LYS   1  17.309   3.295  -0.141
   10    HD3  LYS   1           HD1      LYS   1  15.886   2.440  -0.780
   11    HE2  LYS   1           HE2      LYS   1  18.821   1.913  -1.343
   12    HE3  LYS   1           HE1      LYS   1  17.581   0.781  -0.757
   13    HZ1  LYS   1           HZ1      LYS   1  18.160   0.513  -3.141
   14    HZ2  LYS   1           HZ2      LYS   1  17.529   2.061  -3.443
   15    HZ3  LYS   1           HZ3      LYS   1  16.515   0.823  -2.873
   16    H    LYS   2           HN       LYS   2  19.091   7.829  -3.183
   17    HA   LYS   2           HA       LYS   2  21.886   7.082  -3.597
   18    HB2  LYS   2           HB2      LYS   2  22.189   8.546  -5.618
   19    HB3  LYS   2           HB1      LYS   2  21.240   7.073  -5.938
   20    HG2  LYS   2           HG2      LYS   2  19.139   8.394  -5.646
   21    HG3  LYS   2           HG1      LYS   2  20.121   9.863  -5.425
   22    HD2  LYS   2           HD2      LYS   2  21.100   9.566  -7.672
   23    HD3  LYS   2           HD1      LYS   2  20.151   8.077  -7.898
   24    HE2  LYS   2           HE2      LYS   2  18.985   9.913  -9.003
   25    HE3  LYS   2           HE1      LYS   2  18.054   9.431  -7.565
   26    HZ1  LYS   2           HZ1      LYS   2  18.339  11.862  -7.794
   27    HZ2  LYS   2           HZ2      LYS   2  20.019  11.666  -7.625
   28    HZ3  LYS   2           HZ3      LYS   2  18.981  11.256  -6.345
   29    H    LEU   3           HN       LEU   3  23.142   9.301  -4.069
   30    HA   LEU   3           HA       LEU   3  23.700  11.387  -3.236
   31    HB2  LEU   3           HB2      LEU   3  21.100  11.802  -3.724
   32    HB3  LEU   3           HB1      LEU   3  20.983  11.781  -1.952
   33    HG   LEU   3           HG       LEU   3  23.044  13.476  -2.086
   34   HD11  LEU   3          HD11      LEU   3  23.377  13.295  -4.533
   35   HD12  LEU   3          HD12      LEU   3  22.885  14.945  -4.093
   36   HD13  LEU   3          HD13      LEU   3  21.702  13.826  -4.809
   37   HD21  LEU   3          HD21      LEU   3  21.441  15.370  -2.167
   38   HD22  LEU   3          HD22      LEU   3  20.803  14.029  -1.187
   39   HD23  LEU   3          HD23      LEU   3  20.199  14.288  -2.841
   40    H    LEU   4           HN       LEU   4  22.755   8.683  -1.601
   41    HA   LEU   4           HA       LEU   4  22.944   9.609   1.144
   42    HB2  LEU   4           HB2      LEU   4  23.007   6.947  -0.285
   43    HB3  LEU   4           HB1      LEU   4  23.545   7.000   1.407
   44    HG   LEU   4           HG       LEU   4  21.376   8.073   2.036
   45   HD11  LEU   4          HD11      LEU   4  20.810   7.643  -0.925
   46   HD12  LEU   4          HD12      LEU   4  20.782   9.180  -0.026
   47   HD13  LEU   4          HD13      LEU   4  19.537   7.946   0.281
   48   HD21  LEU   4          HD21      LEU   4  20.034   6.053   1.835
   49   HD22  LEU   4          HD22      LEU   4  21.732   5.566   2.047
   50   HD23  LEU   4          HD23      LEU   4  20.985   5.507   0.434
   51    HA   PRO   5           HA       PRO   5  27.281  10.161   1.952
   52    HB2  PRO   5           HB2      PRO   5  27.083   7.762   3.799
   53    HB3  PRO   5           HB1      PRO   5  27.870   9.348   4.078
   54    HG2  PRO   5           HG2      PRO   5  25.476   8.813   5.122
   55    HG3  PRO   5           HG1      PRO   5  25.844  10.432   4.450
   56    HD2  PRO   5           HD2      PRO   5  24.115   8.256   3.299
   57    HD3  PRO   5           HD1      PRO   5  24.000  10.036   3.109
   58    H    ILE   6           HN       ILE   6  27.695   9.423  -0.282
   59    HA   ILE   6           HA       ILE   6  29.440   7.020  -0.273
   60    HB   ILE   6           HB       ILE   6  27.229   7.296  -2.367
   61   HG12  ILE   6          HG12      ILE   6  27.436   5.473   0.078
   62   HG13  ILE   6          HG11      ILE   6  26.178   6.684  -0.245
   63   HG21  ILE   6          HG21      ILE   6  29.036   4.919  -1.749
   64   HG22  ILE   6          HG22      ILE   6  29.473   6.158  -2.946
   65   HG23  ILE   6          HG23      ILE   6  28.014   5.175  -3.183
   66   HD11  ILE   6           HD1      ILE   6  25.704   5.327  -2.417
   67   HD12  ILE   6           HD2      ILE   6  25.160   4.639  -0.869
   68   HD13  ILE   6           HD3      ILE   6  26.644   4.030  -1.637
   69    H    VAL   7           HN       VAL   7  27.866   9.487  -2.368
   70    HA   VAL   7           HA       VAL   7  29.967   9.673  -4.236
   71    HB   VAL   7           HB       VAL   7  28.181  11.930  -3.319
   72   HG11  VAL   7          HG11      VAL   7  29.755  11.387  -5.874
   73   HG12  VAL   7          HG12      VAL   7  29.953  12.748  -4.745
   74   HG13  VAL   7          HG13      VAL   7  28.492  12.634  -5.755
   75   HG21  VAL   7          HG21      VAL   7  27.715   9.843  -5.501
   76   HG22  VAL   7          HG22      VAL   7  26.630  11.194  -5.097
   77   HG23  VAL   7          HG23      VAL   7  26.890   9.881  -3.924
   78    H    ALA   8           HN       ALA   8  29.511  10.911  -1.198
   79    HA   ALA   8           HA       ALA   8  31.653  12.899  -1.228
   80    HB1  ALA   8           HB1      ALA   8  29.645  12.982   0.283
   81    HB2  ALA   8           HB2      ALA   8  31.202  13.147   1.129
   82    HB3  ALA   8           HB3      ALA   8  30.322  11.600   1.173
   83    H    ASN   9           HN       ASN   9  31.252   9.551  -0.062
   84    HA   ASN   9           HA       ASN   9  33.706   9.265   1.299
   85    HB2  ASN   9           HB2      ASN   9  31.945   7.544   1.295
   86    HB3  ASN   9           HB1      ASN   9  32.249   7.223  -0.429
   87   HD21  ASN   9          HD21      ASN   9  33.090   5.087  -0.274
   88   HD22  ASN   9          HD22      ASN   9  34.570   4.713   0.615
   89    H    LEU  10           HN       LEU  10  33.061   9.663  -2.089
   90    HA   LEU  10           HA       LEU  10  35.508   8.439  -3.059
   91    HB2  LEU  10           HB2      LEU  10  33.983  10.671  -4.443
   92    HB3  LEU  10           HB1      LEU  10  34.917   9.344  -5.173
   93    HG   LEU  10           HG       LEU  10  32.291   9.095  -3.643
   94   HD11  LEU  10          HD11      LEU  10  32.137   9.962  -5.980
   95   HD12  LEU  10          HD12      LEU  10  31.408   8.347  -5.813
   96   HD13  LEU  10          HD13      LEU  10  33.018   8.525  -6.551
   97   HD21  LEU  10          HD21      LEU  10  33.550   7.129  -3.107
   98   HD22  LEU  10          HD22      LEU  10  34.227   7.018  -4.750
   99   HD23  LEU  10          HD23      LEU  10  32.509   6.652  -4.467
  100    H    LEU  11           HN       LEU  11  34.526  11.754  -2.170
  101    HA   LEU  11           HA       LEU  11  37.094  12.910  -2.914
  102    HB2  LEU  11           HB2      LEU  11  35.127  14.111  -0.939
  103    HB3  LEU  11           HB1      LEU  11  36.228  14.943  -2.061
  104    HG   LEU  11           HG       LEU  11  33.775  13.292  -2.810
  105   HD11  LEU  11          HD11      LEU  11  34.384  16.254  -3.201
  106   HD12  LEU  11          HD12      LEU  11  33.398  15.604  -1.868
  107   HD13  LEU  11          HD13      LEU  11  32.853  15.417  -3.552
  108   HD21  LEU  11          HD21      LEU  11  35.394  12.931  -4.546
  109   HD22  LEU  11          HD22      LEU  11  35.950  14.620  -4.482
  110   HD23  LEU  11          HD23      LEU  11  34.342  14.234  -5.143
  111    H    LYS  12           HN       LYS  12  35.736  11.362  -0.081
  112    HA   LYS  12           HA       LYS  12  37.740  12.368   1.778
  113    HB2  LYS  12           HB2      LYS  12  35.426  11.471   2.365
  114    HB3  LYS  12           HB1      LYS  12  36.069   9.843   2.048
  115    HG2  LYS  12           HG2      LYS  12  37.950  10.418   3.708
  116    HG3  LYS  12           HG1      LYS  12  36.979  11.838   4.161
  117    HD2  LYS  12           HD2      LYS  12  36.116   8.916   4.327
  118    HD3  LYS  12           HD1      LYS  12  36.486   9.991   5.695
  119    HE2  LYS  12           HE2      LYS  12  34.130  10.097   3.785
  120    HE3  LYS  12           HE1      LYS  12  34.120  10.050   5.564
  121    HZ1  LYS  12           HZ1      LYS  12  33.792  12.254   5.272
  122    HZ2  LYS  12           HZ2      LYS  12  34.557  12.304   3.756
  123    HZ3  LYS  12           HZ3      LYS  12  35.485  12.279   5.178
  124    H    SER  13           HN       SER  13  37.282   9.379  -0.128
  125    HA   SER  13           HA       SER  13  39.439   7.883   0.910
  126    HB2  SER  13           HB2      SER  13  37.733   7.053  -0.722
  127    HB3  SER  13           HB1      SER  13  38.535   8.000  -1.995
  128    HG   SER  13           HG       SER  13  39.323   5.875  -1.970
  129    H    LEU  14           HN       LEU  14  41.448   7.298  -0.449
  130    HA   LEU  14           HA       LEU  14  42.650   9.348  -2.074
  131    HB2  LEU  14           HB2      LEU  14  42.808  10.660  -0.056
  132    HB3  LEU  14           HB1      LEU  14  43.412   9.271   0.872
  133    HG   LEU  14           HG       LEU  14  45.515   9.279  -0.337
  134   HD11  LEU  14          HD11      LEU  14  44.098  11.287  -2.136
  135   HD12  LEU  14          HD12      LEU  14  44.906   9.767  -2.592
  136   HD13  LEU  14          HD13      LEU  14  45.875  11.169  -2.083
  137   HD21  LEU  14          HD21      LEU  14  46.366  11.515   0.252
  138   HD22  LEU  14          HD22      LEU  14  45.242  10.935   1.504
  139   HD23  LEU  14          HD23      LEU  14  44.704  12.147   0.318
  140    H    LEU  15           HN       LEU  15  43.688   7.093   0.535
  141    HA   LEU  15           HA       LEU  15  45.909   6.091  -1.006
  142    HB2  LEU  15           HB2      LEU  15  45.964   5.944   1.405
  143    HB3  LEU  15           HB1      LEU  15  44.439   5.035   1.442
  144    HG   LEU  15           HG       LEU  15  45.480   3.096   0.420
  145   HD11  LEU  15          HD11      LEU  15  48.039   3.228  -0.028
  146   HD12  LEU  15          HD12      LEU  15  47.820   4.995  -0.017
  147   HD13  LEU  15          HD13      LEU  15  46.962   3.997  -1.216
  148   HD21  LEU  15          HD21      LEU  15  47.396   4.251   2.496
  149   HD22  LEU  15          HD22      LEU  15  47.131   2.528   2.132
  150   HD23  LEU  15          HD23      LEU  15  45.832   3.490   2.876
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1  18.433   8.883  -3.577
    2    H2   LYS   1           HT2      LYS   1  17.370   9.251  -4.850
    3    H3   LYS   1           HT3      LYS   1  17.080   9.862  -3.291
    4    HA   LYS   1           HA       LYS   1  18.467  11.040  -5.354
    5    HB2  LYS   1           HB2      LYS   1  18.751  12.857  -3.687
    6    HB3  LYS   1           HB1      LYS   1  17.092  12.211  -3.700
    7    HG2  LYS   1           HG2      LYS   1  17.876  10.646  -1.783
    8    HG3  LYS   1           HG1      LYS   1  19.298  11.710  -1.663
    9    HD2  LYS   1           HD2      LYS   1  16.377  12.557  -1.397
   10    HD3  LYS   1           HD1      LYS   1  17.565  12.440  -0.077
   11    HE2  LYS   1           HE2      LYS   1  17.515  14.401  -2.397
   12    HE3  LYS   1           HE1      LYS   1  17.521  14.750  -0.653
   13    HZ1  LYS   1           HZ1      LYS   1  19.705  15.112  -1.312
   14    HZ2  LYS   1           HZ2      LYS   1  19.738  13.767  -2.351
   15    HZ3  LYS   1           HZ3      LYS   1  19.760  13.545  -0.667
   16    H    LYS   2           HN       LYS   2  20.571  11.786  -5.576
   17    HA   LYS   2           HA       LYS   2  22.613   9.953  -4.599
   18    HB2  LYS   2           HB2      LYS   2  23.048  12.636  -5.956
   19    HB3  LYS   2           HB1      LYS   2  24.128  11.222  -5.950
   20    HG2  LYS   2           HG2      LYS   2  22.325   9.923  -7.146
   21    HG3  LYS   2           HG1      LYS   2  21.396  11.435  -7.283
   22    HD2  LYS   2           HD2      LYS   2  23.421  12.468  -8.416
   23    HD3  LYS   2           HD1      LYS   2  24.145  10.843  -8.455
   24    HE2  LYS   2           HE2      LYS   2  22.103  10.023  -9.682
   25    HE3  LYS   2           HE1      LYS   2  21.525  11.706  -9.753
   26    HZ1  LYS   2           HZ1      LYS   2  23.588  12.296 -10.909
   27    HZ2  LYS   2           HZ2      LYS   2  22.701  11.129 -11.768
   28    HZ3  LYS   2           HZ3      LYS   2  24.080  10.673 -10.886
   29    H    LEU   3           HN       LEU   3  24.657  12.094  -4.417
   30    HA   LEU   3           HA       LEU   3  25.740  13.224  -2.714
   31    HB2  LEU   3           HB2      LEU   3  23.015  13.851  -1.522
   32    HB3  LEU   3           HB1      LEU   3  24.516  14.798  -1.411
   33    HG   LEU   3           HG       LEU   3  22.835  14.331  -3.915
   34   HD11  LEU   3          HD11      LEU   3  21.956  16.001  -2.290
   35   HD12  LEU   3          HD12      LEU   3  22.500  16.769  -3.802
   36   HD13  LEU   3          HD13      LEU   3  23.517  16.855  -2.342
   37   HD21  LEU   3          HD21      LEU   3  25.105  14.364  -4.671
   38   HD22  LEU   3          HD22      LEU   3  25.567  15.614  -3.490
   39   HD23  LEU   3          HD23      LEU   3  24.535  16.036  -4.878
   40    H    LEU   4           HN       LEU   4  24.060  10.438  -2.368
   41    HA   LEU   4           HA       LEU   4  23.820  10.061   0.436
   42    HB2  LEU   4           HB2      LEU   4  24.703   7.981  -1.601
   43    HB3  LEU   4           HB1      LEU   4  23.912   7.672  -0.041
   44    HG   LEU   4           HG       LEU   4  22.673   9.257  -2.336
   45   HD11  LEU   4          HD11      LEU   4  22.037   6.437  -1.366
   46   HD12  LEU   4          HD12      LEU   4  23.024   6.803  -2.802
   47   HD13  LEU   4          HD13      LEU   4  21.311   7.282  -2.753
   48   HD21  LEU   4          HD21      LEU   4  20.554   8.699  -0.890
   49   HD22  LEU   4          HD22      LEU   4  21.620  10.009  -0.344
   50   HD23  LEU   4          HD23      LEU   4  21.715   8.407   0.427
   51    HA   PRO   5           HA       PRO   5  27.819  10.144   2.376
   52    HB2  PRO   5           HB2      PRO   5  27.216   7.233   2.990
   53    HB3  PRO   5           HB1      PRO   5  27.945   8.486   4.049
   54    HG2  PRO   5           HG2      PRO   5  25.347   7.845   4.244
   55    HG3  PRO   5           HG1      PRO   5  25.908   9.535   4.435
   56    HD2  PRO   5           HD2      PRO   5  24.372   8.314   2.179
   57    HD3  PRO   5           HD1      PRO   5  24.511  10.035   2.662
   58    H    ILE   6           HN       ILE   6  26.949   7.486   0.193
   59    HA   ILE   6           HA       ILE   6  29.625   6.507  -0.216
   60    HB   ILE   6           HB       ILE   6  27.375   6.423  -2.271
   61   HG12  ILE   6          HG12      ILE   6  27.844   4.672   0.187
   62   HG13  ILE   6          HG11      ILE   6  26.447   5.734  -0.106
   63   HG21  ILE   6          HG21      ILE   6  29.768   5.626  -2.805
   64   HG22  ILE   6          HG22      ILE   6  28.471   4.436  -3.047
   65   HG23  ILE   6          HG23      ILE   6  29.502   4.347  -1.599
   66   HD11  ILE   6           HD1      ILE   6  27.195   3.156  -1.525
   67   HD12  ILE   6           HD2      ILE   6  26.087   4.334  -2.273
   68   HD13  ILE   6           HD3      ILE   6  25.667   3.577  -0.719
   69    H    VAL   7           HN       VAL   7  27.581   8.824  -2.039
   70    HA   VAL   7           HA       VAL   7  29.461   9.383  -4.067
   71    HB   VAL   7           HB       VAL   7  27.492  11.322  -2.845
   72   HG11  VAL   7          HG11      VAL   7  29.022  12.463  -4.332
   73   HG12  VAL   7          HG12      VAL   7  27.501  12.231  -5.228
   74   HG13  VAL   7          HG13      VAL   7  28.895  11.171  -5.548
   75   HG21  VAL   7          HG21      VAL   7  26.425   9.170  -3.506
   76   HG22  VAL   7          HG22      VAL   7  27.121   9.335  -5.135
   77   HG23  VAL   7          HG23      VAL   7  25.910  10.507  -4.562
   78    H    ALA   8           HN       ALA   8  29.136  10.370  -0.923
   79    HA   ALA   8           HA       ALA   8  31.072  12.584  -1.020
   80    HB1  ALA   8           HB1      ALA   8  30.709  12.752   1.363
   81    HB2  ALA   8           HB2      ALA   8  29.929  11.152   1.403
   82    HB3  ALA   8           HB3      ALA   8  29.136  12.509   0.568
   83    H    ASN   9           HN       ASN   9  31.022   9.156  -0.116
   84    HA   ASN   9           HA       ASN   9  33.436   8.958   1.301
   85    HB2  ASN   9           HB2      ASN   9  31.797   7.100   0.829
   86    HB3  ASN   9           HB1      ASN   9  32.483   6.987  -0.810
   87   HD21  ASN   9          HD21      ASN   9  32.953   6.131   2.557
   88   HD22  ASN   9          HD22      ASN   9  34.520   5.344   2.340
   89    H    LEU  10           HN       LEU  10  32.891   9.439  -2.151
   90    HA   LEU  10           HA       LEU  10  35.556   8.784  -3.016
   91    HB2  LEU  10           HB2      LEU  10  33.761  10.861  -4.317
   92    HB3  LEU  10           HB1      LEU  10  34.955   9.788  -5.086
   93    HG   LEU  10           HG       LEU  10  32.314   8.960  -3.802
   94   HD11  LEU  10          HD11      LEU  10  32.137   9.980  -6.053
   95   HD12  LEU  10          HD12      LEU  10  31.768   8.240  -6.108
   96   HD13  LEU  10          HD13      LEU  10  33.350   8.832  -6.669
   97   HD21  LEU  10          HD21      LEU  10  33.011   6.671  -4.789
   98   HD22  LEU  10          HD22      LEU  10  33.849   7.189  -3.309
   99   HD23  LEU  10          HD23      LEU  10  34.657   7.343  -4.889
  100    H    LEU  11           HN       LEU  11  33.993  11.836  -2.009
  101    HA   LEU  11           HA       LEU  11  36.454  13.383  -2.400
  102    HB2  LEU  11           HB2      LEU  11  34.057  14.225  -0.735
  103    HB3  LEU  11           HB1      LEU  11  35.188  15.245  -1.656
  104    HG   LEU  11           HG       LEU  11  33.154  13.291  -2.823
  105   HD11  LEU  11          HD11      LEU  11  33.335  16.326  -3.032
  106   HD12  LEU  11          HD12      LEU  11  32.287  15.471  -1.876
  107   HD13  LEU  11          HD13      LEU  11  32.023  15.282  -3.626
  108   HD21  LEU  11          HD21      LEU  11  33.916  14.442  -5.005
  109   HD22  LEU  11          HD22      LEU  11  35.050  13.275  -4.292
  110   HD23  LEU  11          HD23      LEU  11  35.324  15.022  -4.083
  111    H    LYS  12           HN       LYS  12  37.072  11.169  -0.849
  112    HA   LYS  12           HA       LYS  12  38.167  12.492   1.508
  113    HB2  LYS  12           HB2      LYS  12  35.766  11.936   2.178
  114    HB3  LYS  12           HB1      LYS  12  36.215  10.220   2.031
  115    HG2  LYS  12           HG2      LYS  12  38.134  10.683   3.635
  116    HG3  LYS  12           HG1      LYS  12  37.432  12.297   3.898
  117    HD2  LYS  12           HD2      LYS  12  35.243  11.120   4.498
  118    HD3  LYS  12           HD1      LYS  12  36.163   9.596   4.501
  119    HE2  LYS  12           HE2      LYS  12  36.465  11.996   6.330
  120    HE3  LYS  12           HE1      LYS  12  36.238  10.286   6.766
  121    HZ1  LYS  12           HZ1      LYS  12  38.427   9.782   6.029
  122    HZ2  LYS  12           HZ2      LYS  12  38.548  11.142   7.041
  123    HZ3  LYS  12           HZ3      LYS  12  38.642  11.324   5.355
  124    H    SER  13           HN       SER  13  37.393   9.454  -0.188
  125    HA   SER  13           HA       SER  13  39.485   7.906   1.052
  126    HB2  SER  13           HB2      SER  13  39.076   6.299  -0.723
  127    HB3  SER  13           HB1      SER  13  37.517   6.958  -0.177
  128    HG   SER  13           HG       SER  13  37.541   8.336  -1.967
  129    H    LEU  14           HN       LEU  14  41.350   9.233   1.048
  130    HA   LEU  14           HA       LEU  14  43.321  10.080   0.156
  131    HB2  LEU  14           HB2      LEU  14  42.982   8.062  -2.088
  132    HB3  LEU  14           HB1      LEU  14  44.484   8.643  -1.330
  133    HG   LEU  14           HG       LEU  14  42.345   6.910  -0.013
  134   HD11  LEU  14          HD11      LEU  14  45.257   6.297  -0.670
  135   HD12  LEU  14          HD12      LEU  14  43.889   5.827  -1.708
  136   HD13  LEU  14          HD13      LEU  14  44.025   5.166  -0.061
  137   HD21  LEU  14          HD21      LEU  14  43.239   8.313   1.711
  138   HD22  LEU  14          HD22      LEU  14  44.886   8.223   1.042
  139   HD23  LEU  14          HD23      LEU  14  44.161   6.797   1.825
  140    H    LEU  15           HN       LEU  15  44.119   9.997  -2.665
  141    HA   LEU  15           HA       LEU  15  42.831  12.498  -3.479
  142    HB2  LEU  15           HB2      LEU  15  44.986  10.716  -4.657
  143    HB3  LEU  15           HB1      LEU  15  44.359  12.117  -5.545
  144    HG   LEU  15           HG       LEU  15  46.486  12.487  -4.147
  145   HD11  LEU  15          HD11      LEU  15  44.223  14.328  -3.282
  146   HD12  LEU  15          HD12      LEU  15  44.829  14.306  -4.953
  147   HD13  LEU  15          HD13      LEU  15  45.921  14.728  -3.616
  148   HD21  LEU  15          HD21      LEU  15  45.618  11.162  -2.164
  149   HD22  LEU  15          HD22      LEU  15  44.525  12.523  -1.811
  150   HD23  LEU  15          HD23      LEU  15  46.286  12.760  -1.759
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1  19.703   6.795  -2.910
    2    H2   LYS   1           HT2      LYS   1  18.715   7.867  -3.782
    3    H3   LYS   1           HT3      LYS   1  18.071   6.420  -3.167
    4    HA   LYS   1           HA       LYS   1  18.179   8.921  -1.975
    5    HB2  LYS   1           HB2      LYS   1  17.319   6.173  -0.985
    6    HB3  LYS   1           HB1      LYS   1  16.930   7.714  -0.183
    7    HG2  LYS   1           HG2      LYS   1  15.645   8.479  -2.066
    8    HG3  LYS   1           HG1      LYS   1  16.243   7.154  -3.096
    9    HD2  LYS   1           HD2      LYS   1  13.939   6.698  -2.303
   10    HD3  LYS   1           HD1      LYS   1  15.089   5.504  -1.660
   11    HE2  LYS   1           HE2      LYS   1  14.430   7.992  -0.050
   12    HE3  LYS   1           HE1      LYS   1  13.336   6.589  -0.025
   13    HZ1  LYS   1           HZ1      LYS   1  14.707   5.567   1.356
   14    HZ2  LYS   1           HZ2      LYS   1  15.718   6.932   1.387
   15    HZ3  LYS   1           HZ3      LYS   1  15.991   5.694   0.255
   16    H    LYS   2           HN       LYS   2  19.209   9.740  -0.215
   17    HA   LYS   2           HA       LYS   2  20.984   9.992   1.270
   18    HB2  LYS   2           HB2      LYS   2  20.696   7.026   1.861
   19    HB3  LYS   2           HB1      LYS   2  21.163   8.342   2.966
   20    HG2  LYS   2           HG2      LYS   2  18.418   7.921   1.701
   21    HG3  LYS   2           HG1      LYS   2  18.845   7.677   3.411
   22    HD2  LYS   2           HD2      LYS   2  19.579  10.160   3.410
   23    HD3  LYS   2           HD1      LYS   2  18.719  10.290   1.855
   24    HE2  LYS   2           HE2      LYS   2  16.637   9.502   2.919
   25    HE3  LYS   2           HE1      LYS   2  17.487   9.323   4.473
   26    HZ1  LYS   2           HZ1      LYS   2  16.194  11.547   3.676
   27    HZ2  LYS   2           HZ2      LYS   2  17.789  11.917   3.225
   28    HZ3  LYS   2           HZ3      LYS   2  17.431  11.518   4.836
   29    H    LEU   3           HN       LEU   3  21.934   9.893  -1.184
   30    HA   LEU   3           HA       LEU   3  23.924   7.764  -1.506
   31    HB2  LEU   3           HB2      LEU   3  23.911  10.461  -2.914
   32    HB3  LEU   3           HB1      LEU   3  24.560   8.908  -3.496
   33    HG   LEU   3           HG       LEU   3  21.614   9.551  -3.021
   34   HD11  LEU   3          HD11      LEU   3  23.101   8.994  -5.622
   35   HD12  LEU   3          HD12      LEU   3  22.743  10.631  -5.021
   36   HD13  LEU   3          HD13      LEU   3  21.411   9.523  -5.433
   37   HD21  LEU   3          HD21      LEU   3  21.906   7.212  -2.589
   38   HD22  LEU   3          HD22      LEU   3  23.089   7.036  -3.909
   39   HD23  LEU   3          HD23      LEU   3  21.370   7.305  -4.282
   40    H    LEU   4           HN       LEU   4  23.640  10.001   0.771
   41    HA   LEU   4           HA       LEU   4  25.812  11.677   0.888
   42    HB2  LEU   4           HB2      LEU   4  24.301  10.080   2.910
   43    HB3  LEU   4           HB1      LEU   4  25.871  10.694   3.472
   44    HG   LEU   4           HG       LEU   4  25.179  12.996   2.729
   45   HD11  LEU   4          HD11      LEU   4  23.570  12.439   0.995
   46   HD12  LEU   4          HD12      LEU   4  22.703  13.305   2.285
   47   HD13  LEU   4          HD13      LEU   4  22.564  11.535   2.152
   48   HD21  LEU   4          HD21      LEU   4  23.590  13.361   4.573
   49   HD22  LEU   4          HD22      LEU   4  24.840  12.197   5.071
   50   HD23  LEU   4          HD23      LEU   4  23.217  11.622   4.620
   51    HA   PRO   5           HA       PRO   5  28.969   8.389   2.530
   52    HB2  PRO   5           HB2      PRO   5  28.286   5.701   2.085
   53    HB3  PRO   5           HB1      PRO   5  28.055   6.574   3.633
   54    HG2  PRO   5           HG2      PRO   5  26.074   6.053   1.426
   55    HG3  PRO   5           HG1      PRO   5  25.857   5.944   3.202
   56    HD2  PRO   5           HD2      PRO   5  24.958   8.089   1.836
   57    HD3  PRO   5           HD1      PRO   5  25.701   8.283   3.459
   58    H    ILE   6           HN       ILE   6  27.015   7.792  -0.359
   59    HA   ILE   6           HA       ILE   6  29.170   6.567  -1.879
   60    HB   ILE   6           HB       ILE   6  26.741   8.051  -2.963
   61   HG12  ILE   6          HG12      ILE   6  25.885   6.445  -1.388
   62   HG13  ILE   6          HG11      ILE   6  25.674   5.732  -2.997
   63   HG21  ILE   6          HG21      ILE   6  28.740   6.078  -4.122
   64   HG22  ILE   6          HG22      ILE   6  28.145   7.608  -4.794
   65   HG23  ILE   6          HG23      ILE   6  27.092   6.178  -4.786
   66   HD11  ILE   6           HD1      ILE   6  27.713   5.026  -0.859
   67   HD12  ILE   6           HD2      ILE   6  27.966   4.568  -2.558
   68   HD13  ILE   6           HD3      ILE   6  26.548   3.963  -1.676
   69    H    VAL   7           HN       VAL   7  27.712   9.852  -1.857
   70    HA   VAL   7           HA       VAL   7  29.483  10.965  -3.755
   71    HB   VAL   7           HB       VAL   7  28.202  12.354  -1.396
   72   HG11  VAL   7          HG11      VAL   7  29.370  13.348  -4.030
   73   HG12  VAL   7          HG12      VAL   7  29.868  13.792  -2.380
   74   HG13  VAL   7          HG13      VAL   7  28.297  14.340  -3.012
   75   HG21  VAL   7          HG21      VAL   7  26.329  12.830  -2.894
   76   HG22  VAL   7          HG22      VAL   7  26.603  11.072  -2.869
   77   HG23  VAL   7          HG23      VAL   7  27.166  12.041  -4.252
   78    H    ALA   8           HN       ALA   8  29.718  10.294  -0.520
   79    HA   ALA   8           HA       ALA   8  32.047  11.892   0.129
   80    HB1  ALA   8           HB1      ALA   8  30.490  11.057   1.847
   81    HB2  ALA   8           HB2      ALA   8  32.158  10.522   2.164
   82    HB3  ALA   8           HB3      ALA   8  30.974   9.387   1.473
   83    H    ASN   9           HN       ASN   9  31.521   8.563  -1.004
   84    HA   ASN   9           HA       ASN   9  34.199   7.632  -0.664
   85    HB2  ASN   9           HB2      ASN   9  32.179   6.875  -2.814
   86    HB3  ASN   9           HB1      ASN   9  33.606   5.927  -2.332
   87   HD21  ASN   9          HD21      ASN   9  33.150   6.822   0.595
   88   HD22  ASN   9          HD22      ASN   9  31.830   5.783   1.137
   89    H    LEU  10           HN       LEU  10  32.753   9.809  -2.972
   90    HA   LEU  10           HA       LEU  10  34.802   9.512  -5.013
   91    HB2  LEU  10           HB2      LEU  10  33.091  11.979  -4.555
   92    HB3  LEU  10           HB1      LEU  10  33.754  11.357  -6.084
   93    HG   LEU  10           HG       LEU  10  31.597  10.034  -4.378
   94   HD11  LEU  10          HD11      LEU  10  30.115  10.568  -6.233
   95   HD12  LEU  10          HD12      LEU  10  31.473  11.205  -7.191
   96   HD13  LEU  10          HD13      LEU  10  30.936  12.064  -5.727
   97   HD21  LEU  10          HD21      LEU  10  31.472   8.512  -6.473
   98   HD22  LEU  10          HD22      LEU  10  32.848   8.254  -5.377
   99   HD23  LEU  10          HD23      LEU  10  33.078   9.156  -6.895
  100    H    LEU  11           HN       LEU  11  34.198  11.858  -2.370
  101    HA   LEU  11           HA       LEU  11  36.636  13.353  -2.945
  102    HB2  LEU  11           HB2      LEU  11  35.117  13.342  -0.314
  103    HB3  LEU  11           HB1      LEU  11  36.074  14.656  -1.039
  104    HG   LEU  11           HG       LEU  11  33.441  13.535  -2.091
  105   HD11  LEU  11          HD11      LEU  11  33.302  15.029  -0.085
  106   HD12  LEU  11          HD12      LEU  11  32.563  15.756  -1.532
  107   HD13  LEU  11          HD13      LEU  11  34.176  16.285  -0.994
  108   HD21  LEU  11          HD21      LEU  11  33.697  15.569  -3.683
  109   HD22  LEU  11          HD22      LEU  11  34.703  14.144  -4.027
  110   HD23  LEU  11          HD23      LEU  11  35.416  15.562  -3.220
  111    H    LYS  12           HN       LYS  12  35.992  10.352  -1.493
  112    HA   LYS  12           HA       LYS  12  37.318   8.902  -0.265
  113    HB2  LYS  12           HB2      LYS  12  38.910   9.558  -2.151
  114    HB3  LYS  12           HB1      LYS  12  39.654  10.701  -1.008
  115    HG2  LYS  12           HG2      LYS  12  39.916   8.706   0.596
  116    HG3  LYS  12           HG1      LYS  12  39.492   7.668  -0.786
  117    HD2  LYS  12           HD2      LYS  12  41.832   9.623  -0.630
  118    HD3  LYS  12           HD1      LYS  12  41.932   7.846  -0.617
  119    HE2  LYS  12           HE2      LYS  12  41.145   9.681  -2.902
  120    HE3  LYS  12           HE1      LYS  12  42.398   8.419  -2.869
  121    HZ1  LYS  12           HZ1      LYS  12  40.746   7.312  -3.944
  122    HZ2  LYS  12           HZ2      LYS  12  39.492   8.160  -3.173
  123    HZ3  LYS  12           HZ3      LYS  12  40.314   6.921  -2.351
  124    H    SER  13           HN       SER  13  36.082  10.007   1.556
  125    HA   SER  13           HA       SER  13  37.974  10.546   3.689
  126    HB2  SER  13           HB2      SER  13  37.998  12.771   2.599
  127    HB3  SER  13           HB1      SER  13  36.230  12.864   2.762
  128    HG   SER  13           HG       SER  13  36.809  13.767   4.603
  129    H    LEU  14           HN       LEU  14  37.059   9.300   5.185
  130    HA   LEU  14           HA       LEU  14  34.184   8.864   5.285
  131    HB2  LEU  14           HB2      LEU  14  36.170   8.242   7.500
  132    HB3  LEU  14           HB1      LEU  14  34.644   7.411   7.114
  133    HG   LEU  14           HG       LEU  14  37.146   7.462   5.366
  134   HD11  LEU  14          HD11      LEU  14  35.836   5.233   6.987
  135   HD12  LEU  14          HD12      LEU  14  37.360   6.059   7.395
  136   HD13  LEU  14          HD13      LEU  14  37.256   5.051   5.930
  137   HD21  LEU  14          HD21      LEU  14  34.366   6.265   5.005
  138   HD22  LEU  14          HD22      LEU  14  35.784   5.631   4.134
  139   HD23  LEU  14          HD23      LEU  14  35.270   7.315   3.888
  140    H    LEU  15           HN       LEU  15  32.724   9.452   6.936
  141    HA   LEU  15           HA       LEU  15  33.091  12.185   7.860
  142    HB2  LEU  15           HB2      LEU  15  30.956  10.260   8.836
  143    HB3  LEU  15           HB1      LEU  15  30.864  12.029   8.664
  144    HG   LEU  15           HG       LEU  15  31.057   9.991   6.403
  145   HD11  LEU  15          HD11      LEU  15  28.799  10.817   5.842
  146   HD12  LEU  15          HD12      LEU  15  28.854  11.936   7.225
  147   HD13  LEU  15          HD13      LEU  15  28.832  10.178   7.503
  148   HD21  LEU  15          HD21      LEU  15  30.645  12.124   4.996
  149   HD22  LEU  15          HD22      LEU  15  32.279  11.914   5.666
  150   HD23  LEU  15          HD23      LEU  15  31.136  13.038   6.443
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1  16.201  10.249  -0.767
    2    H2   LYS   1           HT2      LYS   1  16.124  10.352   0.928
    3    H3   LYS   1           HT3      LYS   1  15.017   9.381   0.079
    4    HA   LYS   1           HA       LYS   1  17.269   8.527   1.245
    5    HB2  LYS   1           HB2      LYS   1  15.214   7.268   0.396
    6    HB3  LYS   1           HB1      LYS   1  15.995   7.251  -1.204
    7    HG2  LYS   1           HG2      LYS   1  17.959   6.097  -0.250
    8    HG3  LYS   1           HG1      LYS   1  17.210   6.138   1.365
    9    HD2  LYS   1           HD2      LYS   1  15.252   4.853   0.402
   10    HD3  LYS   1           HD1      LYS   1  16.186   4.671  -1.102
   11    HE2  LYS   1           HE2      LYS   1  16.527   2.678   0.252
   12    HE3  LYS   1           HE1      LYS   1  18.037   3.620   0.254
   13    HZ1  LYS   1           HZ1      LYS   1  17.333   2.813   2.479
   14    HZ2  LYS   1           HZ2      LYS   1  15.956   3.803   2.374
   15    HZ3  LYS   1           HZ3      LYS   1  17.505   4.498   2.393
   16    H    LYS   2           HN       LYS   2  18.717  10.380   0.365
   17    HA   LYS   2           HA       LYS   2  20.587   9.118  -1.502
   18    HB2  LYS   2           HB2      LYS   2  20.555  10.941  -3.169
   19    HB3  LYS   2           HB1      LYS   2  18.992  10.090  -3.113
   20    HG2  LYS   2           HG2      LYS   2  18.253  11.919  -1.429
   21    HG3  LYS   2           HG1      LYS   2  19.699  12.815  -1.956
   22    HD2  LYS   2           HD2      LYS   2  17.436  11.837  -3.755
   23    HD3  LYS   2           HD1      LYS   2  17.729  13.520  -3.260
   24    HE2  LYS   2           HE2      LYS   2  20.077  13.243  -4.314
   25    HE3  LYS   2           HE1      LYS   2  19.426  11.768  -5.072
   26    HZ1  LYS   2           HZ1      LYS   2  17.881  12.977  -6.278
   27    HZ2  LYS   2           HZ2      LYS   2  19.250  13.981  -6.332
   28    HZ3  LYS   2           HZ3      LYS   2  17.975  14.336  -5.268
   29    H    LEU   3           HN       LEU   3  22.188  11.136  -2.200
   30    HA   LEU   3           HA       LEU   3  23.816  12.557  -1.382
   31    HB2  LEU   3           HB2      LEU   3  21.626  13.784  -0.537
   32    HB3  LEU   3           HB1      LEU   3  22.126  13.187   1.058
   33    HG   LEU   3           HG       LEU   3  24.488  14.217   0.412
   34   HD11  LEU   3          HD11      LEU   3  24.189  16.309  -0.977
   35   HD12  LEU   3          HD12      LEU   3  22.576  15.723  -1.437
   36   HD13  LEU   3          HD13      LEU   3  24.025  14.808  -1.911
   37   HD21  LEU   3          HD21      LEU   3  23.774  16.408   1.364
   38   HD22  LEU   3          HD22      LEU   3  23.070  15.038   2.255
   39   HD23  LEU   3          HD23      LEU   3  22.074  15.956   1.099
   40    H    LEU   4           HN       LEU   4  22.748   9.781  -0.022
   41    HA   LEU   4           HA       LEU   4  23.980   9.574   2.506
   42    HB2  LEU   4           HB2      LEU   4  23.339   7.673   0.257
   43    HB3  LEU   4           HB1      LEU   4  24.413   7.067   1.535
   44    HG   LEU   4           HG       LEU   4  22.722   7.666   3.245
   45   HD11  LEU   4          HD11      LEU   4  21.183   8.630   0.800
   46   HD12  LEU   4          HD12      LEU   4  21.624   9.559   2.253
   47   HD13  LEU   4          HD13      LEU   4  20.395   8.276   2.357
   48   HD21  LEU   4          HD21      LEU   4  21.647   6.017   0.911
   49   HD22  LEU   4          HD22      LEU   4  20.995   5.986   2.567
   50   HD23  LEU   4          HD23      LEU   4  22.652   5.416   2.251
   51    HA   PRO   5           HA       PRO   5  28.336   9.920   1.885
   52    HB2  PRO   5           HB2      PRO   5  29.346   7.846   3.467
   53    HB3  PRO   5           HB1      PRO   5  28.760   9.412   4.111
   54    HG2  PRO   5           HG2      PRO   5  27.319   6.775   3.921
   55    HG3  PRO   5           HG1      PRO   5  27.359   7.957   5.267
   56    HD2  PRO   5           HD2      PRO   5  25.243   7.840   3.583
   57    HD3  PRO   5           HD1      PRO   5  25.837   9.412   4.212
   58    H    ILE   6           HN       ILE   6  27.965   9.281  -0.387
   59    HA   ILE   6           HA       ILE   6  29.467   6.770  -0.999
   60    HB   ILE   6           HB       ILE   6  26.873   7.445  -2.454
   61   HG12  ILE   6          HG12      ILE   6  27.366   5.511  -0.143
   62   HG13  ILE   6          HG11      ILE   6  26.295   6.930  -0.131
   63   HG21  ILE   6          HG21      ILE   6  28.404   4.818  -2.276
   64   HG22  ILE   6          HG22      ILE   6  28.741   6.035  -3.529
   65   HG23  ILE   6          HG23      ILE   6  27.136   5.274  -3.438
   66   HD11  ILE   6           HD1      ILE   6  25.950   4.314  -1.632
   67   HD12  ILE   6           HD2      ILE   6  25.079   5.786  -2.130
   68   HD13  ILE   6           HD3      ILE   6  24.825   5.105  -0.506
   69    H    VAL   7           HN       VAL   7  27.776   9.652  -2.323
   70    HA   VAL   7           HA       VAL   7  29.446   9.759  -4.667
   71    HB   VAL   7           HB       VAL   7  27.859  11.995  -3.395
   72   HG11  VAL   7          HG11      VAL   7  28.938  11.525  -6.210
   73   HG12  VAL   7          HG12      VAL   7  29.389  12.829  -5.085
   74   HG13  VAL   7          HG13      VAL   7  27.762  12.797  -5.803
   75   HG21  VAL   7          HG21      VAL   7  26.509   9.915  -3.856
   76   HG22  VAL   7          HG22      VAL   7  26.993  10.030  -5.565
   77   HG23  VAL   7          HG23      VAL   7  26.002  11.314  -4.832
   78    H    ALA   8           HN       ALA   8  29.519  10.905  -1.561
   79    HA   ALA   8           HA       ALA   8  31.809  12.757  -1.966
   80    HB1  ALA   8           HB1      ALA   8  30.480  11.936   0.635
   81    HB2  ALA   8           HB2      ALA   8  29.883  13.251  -0.406
   82    HB3  ALA   8           HB3      ALA   8  31.499  13.363   0.333
   83    H    ASN   9           HN       ASN   9  31.130   9.493  -0.908
   84    HA   ASN   9           HA       ASN   9  33.336   8.939   0.736
   85    HB2  ASN   9           HB2      ASN   9  31.535   7.324   0.259
   86    HB3  ASN   9           HB1      ASN   9  32.123   7.157  -1.414
   87   HD21  ASN   9          HD21      ASN   9  32.922   6.492   2.019
   88   HD22  ASN   9          HD22      ASN   9  34.188   5.313   1.657
   89    H    LEU  10           HN       LEU  10  33.228   9.561  -2.710
   90    HA   LEU  10           HA       LEU  10  35.819   8.398  -3.307
   91    HB2  LEU  10           HB2      LEU  10  33.991  10.366  -4.715
   92    HB3  LEU  10           HB1      LEU  10  35.590   9.970  -5.372
   93    HG   LEU  10           HG       LEU  10  33.617   8.607  -6.279
   94   HD11  LEU  10          HD11      LEU  10  36.126   7.901  -6.262
   95   HD12  LEU  10          HD12      LEU  10  34.906   6.646  -6.551
   96   HD13  LEU  10          HD13      LEU  10  35.665   6.789  -4.954
   97   HD21  LEU  10          HD21      LEU  10  32.673   6.850  -4.928
   98   HD22  LEU  10          HD22      LEU  10  32.537   8.356  -3.993
   99   HD23  LEU  10          HD23      LEU  10  33.803   7.171  -3.594
  100    H    LEU  11           HN       LEU  11  34.654  11.691  -2.538
  101    HA   LEU  11           HA       LEU  11  37.277  12.895  -2.825
  102    HB2  LEU  11           HB2      LEU  11  35.016  13.976  -1.110
  103    HB3  LEU  11           HB1      LEU  11  36.270  14.878  -1.993
  104    HG   LEU  11           HG       LEU  11  33.988  13.261  -3.211
  105   HD11  LEU  11          HD11      LEU  11  34.647  16.241  -3.198
  106   HD12  LEU  11          HD12      LEU  11  33.327  15.457  -2.298
  107   HD13  LEU  11          HD13      LEU  11  33.295  15.490  -4.078
  108   HD21  LEU  11          HD21      LEU  11  35.845  12.978  -4.694
  109   HD22  LEU  11          HD22      LEU  11  36.405  14.649  -4.442
  110   HD23  LEU  11          HD23      LEU  11  34.923  14.337  -5.375
  111    H    LYS  12           HN       LYS  12  35.283  12.070   0.053
  112    HA   LYS  12           HA       LYS  12  37.237  12.733   1.994
  113    HB2  LYS  12           HB2      LYS  12  35.139  10.529   2.101
  114    HB3  LYS  12           HB1      LYS  12  35.978  11.243   3.499
  115    HG2  LYS  12           HG2      LYS  12  35.054  13.473   2.905
  116    HG3  LYS  12           HG1      LYS  12  34.190  12.740   1.533
  117    HD2  LYS  12           HD2      LYS  12  32.885  11.331   3.038
  118    HD3  LYS  12           HD1      LYS  12  33.826  11.896   4.439
  119    HE2  LYS  12           HE2      LYS  12  33.014  14.196   4.084
  120    HE3  LYS  12           HE1      LYS  12  32.105  13.666   2.650
  121    HZ1  LYS  12           HZ1      LYS  12  31.644  12.238   5.167
  122    HZ2  LYS  12           HZ2      LYS  12  30.562  12.601   3.908
  123    HZ3  LYS  12           HZ3      LYS  12  31.001  13.801   5.027
  124    H    SER  13           HN       SER  13  36.989   9.990  -0.161
  125    HA   SER  13           HA       SER  13  38.308   8.088  -0.386
  126    HB2  SER  13           HB2      SER  13  40.492   9.766   0.891
  127    HB3  SER  13           HB1      SER  13  40.676   8.438  -0.277
  128    HG   SER  13           HG       SER  13  40.805  10.457  -1.313
  129    H    LEU  14           HN       LEU  14  40.491   7.119   1.105
  130    HA   LEU  14           HA       LEU  14  39.035   5.903   3.326
  131    HB2  LEU  14           HB2      LEU  14  42.026   5.693   2.837
  132    HB3  LEU  14           HB1      LEU  14  40.927   4.494   3.563
  133    HG   LEU  14           HG       LEU  14  40.972   5.396   0.648
  134   HD11  LEU  14          HD11      LEU  14  41.659   3.087   0.210
  135   HD12  LEU  14          HD12      LEU  14  41.515   2.683   1.937
  136   HD13  LEU  14          HD13      LEU  14  42.776   3.814   1.389
  137   HD21  LEU  14          HD21      LEU  14  39.249   3.478   0.445
  138   HD22  LEU  14          HD22      LEU  14  38.670   4.989   1.183
  139   HD23  LEU  14          HD23      LEU  14  39.074   3.594   2.213
  140    H    LEU  15           HN       LEU  15  42.048   7.866   3.134
  141    HA   LEU  15           HA       LEU  15  42.115   8.271   6.002
  142    HB2  LEU  15           HB2      LEU  15  44.178   8.374   4.755
  143    HB3  LEU  15           HB1      LEU  15  43.531   9.622   3.671
  144    HG   LEU  15           HG       LEU  15  43.509  11.267   5.450
  145   HD11  LEU  15          HD11      LEU  15  44.457  10.537   7.757
  146   HD12  LEU  15          HD12      LEU  15  44.106   8.873   7.232
  147   HD13  LEU  15          HD13      LEU  15  42.788  10.060   7.376
  148   HD21  LEU  15          HD21      LEU  15  46.076   9.619   5.554
  149   HD22  LEU  15          HD22      LEU  15  45.919  11.321   6.052
  150   HD23  LEU  15          HD23      LEU  15  45.684  10.868   4.347
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1  19.814  12.589  -5.236
    2    H2   LYS   1           HT2      LYS   1  18.214  13.115  -5.006
    3    H3   LYS   1           HT3      LYS   1  18.650  11.516  -4.629
    4    HA   LYS   1           HA       LYS   1  19.836  13.863  -3.311
    5    HB2  LYS   1           HB2      LYS   1  17.497  12.152  -2.380
    6    HB3  LYS   1           HB1      LYS   1  18.272  13.467  -1.463
    7    HG2  LYS   1           HG2      LYS   1  17.703  15.006  -3.431
    8    HG3  LYS   1           HG1      LYS   1  16.689  13.684  -4.055
    9    HD2  LYS   1           HD2      LYS   1  16.407  15.075  -1.352
   10    HD3  LYS   1           HD1      LYS   1  15.303  15.221  -2.741
   11    HE2  LYS   1           HE2      LYS   1  15.764  12.833  -0.927
   12    HE3  LYS   1           HE1      LYS   1  14.231  13.627  -1.358
   13    HZ1  LYS   1           HZ1      LYS   1  14.113  11.888  -2.770
   14    HZ2  LYS   1           HZ2      LYS   1  15.795  11.657  -2.838
   15    HZ3  LYS   1           HZ3      LYS   1  15.065  12.883  -3.761
   16    H    LYS   2           HN       LYS   2  21.468  11.924  -4.177
   17    HA   LYS   2           HA       LYS   2  21.633   9.705  -2.263
   18    HB2  LYS   2           HB2      LYS   2  23.509  10.744  -4.421
   19    HB3  LYS   2           HB1      LYS   2  23.846   9.310  -3.421
   20    HG2  LYS   2           HG2      LYS   2  21.860   8.185  -4.240
   21    HG3  LYS   2           HG1      LYS   2  21.317   9.655  -5.085
   22    HD2  LYS   2           HD2      LYS   2  23.345   9.566  -6.522
   23    HD3  LYS   2           HD1      LYS   2  23.850   8.070  -5.699
   24    HE2  LYS   2           HE2      LYS   2  22.710   7.480  -7.778
   25    HE3  LYS   2           HE1      LYS   2  21.685   7.009  -6.403
   26    HZ1  LYS   2           HZ1      LYS   2  21.349   9.690  -7.561
   27    HZ2  LYS   2           HZ2      LYS   2  20.204   8.679  -6.815
   28    HZ3  LYS   2           HZ3      LYS   2  20.714   8.362  -8.405
   29    H    LEU   3           HN       LEU   3  21.480  12.025  -0.808
   30    HA   LEU   3           HA       LEU   3  24.033  13.143  -0.121
   31    HB2  LEU   3           HB2      LEU   3  21.671  12.769   1.762
   32    HB3  LEU   3           HB1      LEU   3  22.937  14.015   1.837
   33    HG   LEU   3           HG       LEU   3  20.915  13.716  -0.433
   34   HD11  LEU   3          HD11      LEU   3  19.843  15.704   0.524
   35   HD12  LEU   3          HD12      LEU   3  21.057  15.763   1.825
   36   HD13  LEU   3          HD13      LEU   3  19.902  14.409   1.745
   37   HD21  LEU   3          HD21      LEU   3  23.148  15.697   0.181
   38   HD22  LEU   3          HD22      LEU   3  21.783  16.127  -0.877
   39   HD23  LEU   3          HD23      LEU   3  22.861  14.784  -1.319
   40    H    LEU   4           HN       LEU   4  22.933  10.010   0.086
   41    HA   LEU   4           HA       LEU   4  24.033   9.285   2.682
   42    HB2  LEU   4           HB2      LEU   4  23.606   7.406   0.337
   43    HB3  LEU   4           HB1      LEU   4  23.498   7.048   2.075
   44    HG   LEU   4           HG       LEU   4  21.600   8.809   0.463
   45   HD11  LEU   4          HD11      LEU   4  19.961   7.067   0.947
   46   HD12  LEU   4          HD12      LEU   4  21.140   6.184   1.948
   47   HD13  LEU   4          HD13      LEU   4  21.386   6.316   0.191
   48   HD21  LEU   4          HD21      LEU   4  21.738   9.807   2.637
   49   HD22  LEU   4          HD22      LEU   4  21.835   8.223   3.445
   50   HD23  LEU   4          HD23      LEU   4  20.306   8.756   2.705
   51    HA   PRO   5           HA       PRO   5  28.423   8.965   1.994
   52    HB2  PRO   5           HB2      PRO   5  28.076   6.017   2.623
   53    HB3  PRO   5           HB1      PRO   5  29.324   7.165   3.209
   54    HG2  PRO   5           HG2      PRO   5  27.259   6.501   4.753
   55    HG3  PRO   5           HG1      PRO   5  27.866   8.186   4.706
   56    HD2  PRO   5           HD2      PRO   5  25.351   7.047   3.511
   57    HD3  PRO   5           HD1      PRO   5  25.689   8.704   4.107
   58    H    ILE   6           HN       ILE   6  28.004   9.344  -0.329
   59    HA   ILE   6           HA       ILE   6  29.016   7.067  -1.939
   60    HB   ILE   6           HB       ILE   6  26.466   8.515  -2.803
   61   HG12  ILE   6          HG12      ILE   6  26.857   5.745  -1.570
   62   HG13  ILE   6          HG11      ILE   6  25.900   7.083  -0.902
   63   HG21  ILE   6          HG21      ILE   6  26.455   6.960  -4.638
   64   HG22  ILE   6          HG22      ILE   6  27.724   5.960  -3.894
   65   HG23  ILE   6          HG23      ILE   6  28.120   7.565  -4.542
   66   HD11  ILE   6           HD1      ILE   6  24.277   5.687  -1.913
   67   HD12  ILE   6           HD2      ILE   6  25.306   5.364  -3.328
   68   HD13  ILE   6           HD3      ILE   6  24.546   6.962  -3.126
   69    H    VAL   7           HN       VAL   7  27.651  10.390  -2.023
   70    HA   VAL   7           HA       VAL   7  29.267  11.196  -4.251
   71    HB   VAL   7           HB       VAL   7  28.044  12.942  -2.108
   72   HG11  VAL   7          HG11      VAL   7  28.936  13.466  -4.979
   73   HG12  VAL   7          HG12      VAL   7  29.624  14.167  -3.495
   74   HG13  VAL   7          HG13      VAL   7  27.983  14.615  -4.013
   75   HG21  VAL   7          HG21      VAL   7  26.301  11.525  -3.047
   76   HG22  VAL   7          HG22      VAL   7  26.878  11.836  -4.702
   77   HG23  VAL   7          HG23      VAL   7  26.133  13.148  -3.759
   78    H    ALA   8           HN       ALA   8  29.587  11.044  -0.960
   79    HA   ALA   8           HA       ALA   8  32.051  12.669  -0.773
   80    HB1  ALA   8           HB1      ALA   8  30.387  12.661   1.056
   81    HB2  ALA   8           HB2      ALA   8  31.982  12.090   1.603
   82    HB3  ALA   8           HB3      ALA   8  30.674  10.921   1.297
   83    H    ASN   9           HN       ASN   9  31.084   9.284  -0.992
   84    HA   ASN   9           HA       ASN   9  33.443   8.035  -0.065
   85    HB2  ASN   9           HB2      ASN   9  31.300   6.901  -0.767
   86    HB3  ASN   9           HB1      ASN   9  31.795   7.145  -2.460
   87   HD21  ASN   9          HD21      ASN   9  33.073   5.769   0.655
   88   HD22  ASN   9          HD22      ASN   9  33.972   4.469  -0.134
   89    H    LEU  10           HN       LEU  10  32.743   9.645  -3.138
   90    HA   LEU  10           HA       LEU  10  35.146   8.703  -4.471
   91    HB2  LEU  10           HB2      LEU  10  33.600  11.245  -5.089
   92    HB3  LEU  10           HB1      LEU  10  34.585  10.265  -6.199
   93    HG   LEU  10           HG       LEU  10  32.015   9.335  -4.835
   94   HD11  LEU  10          HD11      LEU  10  31.061   9.471  -7.126
   95   HD12  LEU  10          HD12      LEU  10  32.596  10.152  -7.716
   96   HD13  LEU  10          HD13      LEU  10  31.608  11.063  -6.550
   97   HD21  LEU  10          HD21      LEU  10  32.286   7.490  -6.650
   98   HD22  LEU  10          HD22      LEU  10  33.350   7.396  -5.231
   99   HD23  LEU  10          HD23      LEU  10  33.976   8.034  -6.770
  100    H    LEU  11           HN       LEU  11  34.339  11.367  -2.319
  101    HA   LEU  11           HA       LEU  11  36.617  13.015  -2.873
  102    HB2  LEU  11           HB2      LEU  11  34.528  13.610  -1.518
  103    HB3  LEU  11           HB1      LEU  11  35.241  12.680  -0.183
  104    HG   LEU  11           HG       LEU  11  37.372  14.204  -0.597
  105   HD11  LEU  11          HD11      LEU  11  36.656  15.328  -2.639
  106   HD12  LEU  11          HD12      LEU  11  36.681  16.524  -1.326
  107   HD13  LEU  11          HD13      LEU  11  35.134  15.843  -1.876
  108   HD21  LEU  11          HD21      LEU  11  36.444  15.911   0.961
  109   HD22  LEU  11          HD22      LEU  11  36.006  14.257   1.453
  110   HD23  LEU  11          HD23      LEU  11  34.805  15.292   0.644
  111    H    LYS  12           HN       LYS  12  36.168  10.066  -1.048
  112    HA   LYS  12           HA       LYS  12  37.662   8.740   0.121
  113    HB2  LYS  12           HB2      LYS  12  38.842   8.822  -2.080
  114    HB3  LYS  12           HB1      LYS  12  39.764  10.229  -1.498
  115    HG2  LYS  12           HG2      LYS  12  40.816   8.942   0.238
  116    HG3  LYS  12           HG1      LYS  12  39.712   7.570  -0.017
  117    HD2  LYS  12           HD2      LYS  12  41.925   7.133  -1.042
  118    HD3  LYS  12           HD1      LYS  12  40.651   7.222  -2.281
  119    HE2  LYS  12           HE2      LYS  12  41.351   9.365  -3.020
  120    HE3  LYS  12           HE1      LYS  12  42.269   9.684  -1.527
  121    HZ1  LYS  12           HZ1      LYS  12  43.897   8.106  -2.150
  122    HZ2  LYS  12           HZ2      LYS  12  43.624   9.067  -3.523
  123    HZ3  LYS  12           HZ3      LYS  12  42.959   7.507  -3.429
  124    H    SER  13           HN       SER  13  37.035   9.935   2.059
  125    HA   SER  13           HA       SER  13  38.745  12.106   2.998
  126    HB2  SER  13           HB2      SER  13  36.673  10.358   4.372
  127    HB3  SER  13           HB1      SER  13  37.524  11.696   5.173
  128    HG   SER  13           HG       SER  13  36.126  11.984   2.715
  129    H    LEU  14           HN       LEU  14  38.098   8.918   4.520
  130    HA   LEU  14           HA       LEU  14  40.588   8.979   5.987
  131    HB2  LEU  14           HB2      LEU  14  38.516   6.837   5.399
  132    HB3  LEU  14           HB1      LEU  14  40.002   6.459   6.302
  133    HG   LEU  14           HG       LEU  14  39.453   8.157   7.986
  134   HD11  LEU  14          HD11      LEU  14  37.137   8.739   6.099
  135   HD12  LEU  14          HD12      LEU  14  38.337   9.873   6.769
  136   HD13  LEU  14          HD13      LEU  14  37.078   9.189   7.821
  137   HD21  LEU  14          HD21      LEU  14  38.483   5.810   8.100
  138   HD22  LEU  14          HD22      LEU  14  36.980   6.469   7.411
  139   HD23  LEU  14          HD23      LEU  14  37.557   7.037   8.996
  140    H    LEU  15           HN       LEU  15  42.583   8.367   5.441
  141    HA   LEU  15           HA       LEU  15  43.099   7.544   2.680
  142    HB2  LEU  15           HB2      LEU  15  45.129   7.537   4.936
  143    HB3  LEU  15           HB1      LEU  15  45.387   7.851   3.202
  144    HG   LEU  15           HG       LEU  15  43.902   9.636   5.182
  145   HD11  LEU  15          HD11      LEU  15  46.408   9.655   5.279
  146   HD12  LEU  15          HD12      LEU  15  45.727  11.208   4.735
  147   HD13  LEU  15          HD13      LEU  15  46.442  10.086   3.553
  148   HD21  LEU  15          HD21      LEU  15  44.251   9.783   2.158
  149   HD22  LEU  15          HD22      LEU  15  43.866  11.214   3.143
  150   HD23  LEU  15          HD23      LEU  15  42.737   9.841   3.091
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1  20.403  15.434  -5.368
    2    H2   LYS   1           HT2      LYS   1  21.338  16.850  -5.268
    3    H3   LYS   1           HT3      LYS   1  19.650  16.925  -5.089
    4    HA   LYS   1           HA       LYS   1  21.370  16.879  -3.083
    5    HB2  LYS   1           HB2      LYS   1  19.416  16.165  -1.692
    6    HB3  LYS   1           HB1      LYS   1  19.015  17.440  -2.868
    7    HG2  LYS   1           HG2      LYS   1  18.278  15.533  -4.448
    8    HG3  LYS   1           HG1      LYS   1  18.371  14.468  -3.027
    9    HD2  LYS   1           HD2      LYS   1  16.653  16.974  -3.306
   10    HD3  LYS   1           HD1      LYS   1  16.074  15.293  -3.299
   11    HE2  LYS   1           HE2      LYS   1  17.273  16.890  -1.011
   12    HE3  LYS   1           HE1      LYS   1  15.711  16.042  -1.073
   13    HZ1  LYS   1           HZ1      LYS   1  16.893  14.490   0.038
   14    HZ2  LYS   1           HZ2      LYS   1  18.391  14.986  -0.592
   15    HZ3  LYS   1           HZ3      LYS   1  17.352  14.015  -1.524
   16    H    LYS   2           HN       LYS   2  22.612  14.982  -4.551
   17    HA   LYS   2           HA       LYS   2  21.991  12.294  -3.523
   18    HB2  LYS   2           HB2      LYS   2  24.212  13.478  -5.227
   19    HB3  LYS   2           HB1      LYS   2  24.274  11.797  -4.652
   20    HG2  LYS   2           HG2      LYS   2  23.282  11.988  -6.936
   21    HG3  LYS   2           HG1      LYS   2  22.145  11.296  -5.757
   22    HD2  LYS   2           HD2      LYS   2  20.887  13.310  -5.604
   23    HD3  LYS   2           HD1      LYS   2  22.179  14.279  -6.353
   24    HE2  LYS   2           HE2      LYS   2  20.637  12.070  -7.783
   25    HE3  LYS   2           HE1      LYS   2  20.250  13.803  -7.903
   26    HZ1  LYS   2           HZ1      LYS   2  22.749  12.435  -8.750
   27    HZ2  LYS   2           HZ2      LYS   2  22.611  14.124  -8.631
   28    HZ3  LYS   2           HZ3      LYS   2  21.638  13.265  -9.727
   29    H    LEU   3           HN       LEU   3  22.174  13.883  -1.353
   30    HA   LEU   3           HA       LEU   3  24.833  14.043  -0.245
   31    HB2  LEU   3           HB2      LEU   3  22.272  13.718   1.360
   32    HB3  LEU   3           HB1      LEU   3  23.760  14.584   1.813
   33    HG   LEU   3           HG       LEU   3  21.788  15.372  -0.378
   34   HD11  LEU   3          HD11      LEU   3  21.051  15.851   1.940
   35   HD12  LEU   3          HD12      LEU   3  21.430  17.353   1.063
   36   HD13  LEU   3          HD13      LEU   3  22.584  16.700   2.252
   37   HD21  LEU   3          HD21      LEU   3  23.311  17.471  -0.422
   38   HD22  LEU   3          HD22      LEU   3  23.947  16.002  -1.197
   39   HD23  LEU   3          HD23      LEU   3  24.516  16.469   0.425
   40    H    LEU   4           HN       LEU   4  23.120  11.410  -1.233
   41    HA   LEU   4           HA       LEU   4  23.313   9.570   0.920
   42    HB2  LEU   4           HB2      LEU   4  23.352   9.318  -2.099
   43    HB3  LEU   4           HB1      LEU   4  23.590   7.874  -1.091
   44    HG   LEU   4           HG       LEU   4  21.452   8.289   0.057
   45   HD11  LEU   4          HD11      LEU   4  21.288  10.681   0.050
   46   HD12  LEU   4          HD12      LEU   4  19.945  10.105  -0.964
   47   HD13  LEU   4          HD13      LEU   4  21.417  10.760  -1.723
   48   HD21  LEU   4          HD21      LEU   4  21.250   8.420  -2.986
   49   HD22  LEU   4          HD22      LEU   4  19.940   7.916  -1.893
   50   HD23  LEU   4          HD23      LEU   4  21.426   6.943  -2.009
   51    HA   PRO   5           HA       PRO   5  27.519   8.603   1.902
   52    HB2  PRO   5           HB2      PRO   5  26.912   5.903   0.658
   53    HB3  PRO   5           HB1      PRO   5  27.823   6.278   2.158
   54    HG2  PRO   5           HG2      PRO   5  25.261   5.500   2.254
   55    HG3  PRO   5           HG1      PRO   5  25.897   6.748   3.368
   56    HD2  PRO   5           HD2      PRO   5  24.022   7.077   1.063
   57    HD3  PRO   5           HD1      PRO   5  24.281   8.143   2.482
   58    H    ILE   6           HN       ILE   6  26.267   8.003  -1.337
   59    HA   ILE   6           HA       ILE   6  28.486   7.282  -2.817
   60    HB   ILE   6           HB       ILE   6  26.698   9.585  -3.701
   61   HG12  ILE   6          HG12      ILE   6  26.139   6.583  -3.639
   62   HG13  ILE   6          HG11      ILE   6  25.234   7.854  -2.790
   63   HG21  ILE   6          HG21      ILE   6  28.724   8.802  -5.089
   64   HG22  ILE   6          HG22      ILE   6  27.152   8.779  -5.918
   65   HG23  ILE   6          HG23      ILE   6  27.856   7.264  -5.303
   66   HD11  ILE   6           HD1      ILE   6  25.334   7.275  -5.767
   67   HD12  ILE   6           HD2      ILE   6  24.820   8.867  -5.155
   68   HD13  ILE   6           HD3      ILE   6  23.912   7.404  -4.707
   69    H    VAL   7           HN       VAL   7  27.654  10.686  -1.967
   70    HA   VAL   7           HA       VAL   7  30.016  11.795  -3.051
   71    HB   VAL   7           HB       VAL   7  28.410  12.812  -0.703
   72   HG11  VAL   7          HG11      VAL   7  30.410  14.126  -2.592
   73   HG12  VAL   7          HG12      VAL   7  30.499  14.009  -0.818
   74   HG13  VAL   7          HG13      VAL   7  29.281  15.058  -1.579
   75   HG21  VAL   7          HG21      VAL   7  27.073  14.027  -2.305
   76   HG22  VAL   7          HG22      VAL   7  27.139  12.342  -2.876
   77   HG23  VAL   7          HG23      VAL   7  28.159  13.582  -3.644
   78    H    ALA   8           HN       ALA   8  29.305  10.318  -0.172
   79    HA   ALA   8           HA       ALA   8  31.826  11.042   1.191
   80    HB1  ALA   8           HB1      ALA   8  30.974   9.882   3.071
   81    HB2  ALA   8           HB2      ALA   8  29.861   8.910   2.079
   82    HB3  ALA   8           HB3      ALA   8  29.551  10.646   2.325
   83    H    ASN   9           HN       ASN   9  33.447   9.571   1.826
   84    HA   ASN   9           HA       ASN   9  34.839   7.734   1.595
   85    HB2  ASN   9           HB2      ASN   9  32.828   6.255  -0.124
   86    HB3  ASN   9           HB1      ASN   9  33.995   5.614   1.056
   87   HD21  ASN   9          HD21      ASN   9  33.523   5.993   3.405
   88   HD22  ASN   9          HD22      ASN   9  31.845   6.234   3.903
   89    H    LEU  10           HN       LEU  10  33.006   8.762  -1.274
   90    HA   LEU  10           HA       LEU  10  35.325   8.102  -3.038
   91    HB2  LEU  10           HB2      LEU  10  32.681   9.363  -3.847
   92    HB3  LEU  10           HB1      LEU  10  33.840   8.469  -4.861
   93    HG   LEU  10           HG       LEU  10  32.163   7.312  -2.587
   94   HD11  LEU  10          HD11      LEU  10  30.970   6.136  -4.342
   95   HD12  LEU  10          HD12      LEU  10  32.099   6.736  -5.580
   96   HD13  LEU  10          HD13      LEU  10  30.989   7.864  -4.765
   97   HD21  LEU  10          HD21      LEU  10  33.113   5.112  -3.593
   98   HD22  LEU  10          HD22      LEU  10  34.211   6.082  -2.586
   99   HD23  LEU  10          HD23      LEU  10  34.347   6.141  -4.362
  100    H    LEU  11           HN       LEU  11  34.103  10.685  -1.172
  101    HA   LEU  11           HA       LEU  11  34.557  12.957  -2.745
  102    HB2  LEU  11           HB2      LEU  11  33.652  13.165  -0.519
  103    HB3  LEU  11           HB1      LEU  11  35.107  12.451   0.205
  104    HG   LEU  11           HG       LEU  11  36.441  14.393  -0.374
  105   HD11  LEU  11          HD11      LEU  11  35.674  15.018  -2.545
  106   HD12  LEU  11          HD12      LEU  11  35.215  16.384  -1.504
  107   HD13  LEU  11          HD13      LEU  11  33.990  15.187  -1.996
  108   HD21  LEU  11          HD21      LEU  11  35.227  16.167   0.866
  109   HD22  LEU  11          HD22      LEU  11  35.036  14.581   1.654
  110   HD23  LEU  11          HD23      LEU  11  33.709  15.256   0.678
  111    H    LYS  12           HN       LYS  12  36.965  11.714  -0.384
  112    HA   LYS  12           HA       LYS  12  39.116  11.645  -2.305
  113    HB2  LYS  12           HB2      LYS  12  38.828  14.113  -2.190
  114    HB3  LYS  12           HB1      LYS  12  39.084  14.047  -0.430
  115    HG2  LYS  12           HG2      LYS  12  41.350  13.346  -0.669
  116    HG3  LYS  12           HG1      LYS  12  41.125  12.902  -2.377
  117    HD2  LYS  12           HD2      LYS  12  42.366  15.056  -2.104
  118    HD3  LYS  12           HD1      LYS  12  40.837  15.259  -2.991
  119    HE2  LYS  12           HE2      LYS  12  41.353  16.979  -1.130
  120    HE3  LYS  12           HE1      LYS  12  39.743  16.223  -1.107
  121    HZ1  LYS  12           HZ1      LYS  12  40.726  16.204   1.088
  122    HZ2  LYS  12           HZ2      LYS  12  42.101  15.390   0.512
  123    HZ3  LYS  12           HZ3      LYS  12  40.588  14.615   0.513
  124    H    SER  13           HN       SER  13  37.687  11.247   0.732
  125    HA   SER  13           HA       SER  13  39.745  10.966   2.574
  126    HB2  SER  13           HB2      SER  13  38.369   9.355   3.713
  127    HB3  SER  13           HB1      SER  13  37.280  10.522   2.930
  128    HG   SER  13           HG       SER  13  37.103   9.002   1.194
  129    H    LEU  14           HN       LEU  14  41.251   9.430   3.164
  130    HA   LEU  14           HA       LEU  14  42.845   7.803   2.776
  131    HB2  LEU  14           HB2      LEU  14  40.546   6.481   2.812
  132    HB3  LEU  14           HB1      LEU  14  40.868   6.242   1.083
  133    HG   LEU  14           HG       LEU  14  42.668   5.441   3.416
  134   HD11  LEU  14          HD11      LEU  14  41.304   3.766   1.264
  135   HD12  LEU  14          HD12      LEU  14  40.655   4.006   2.904
  136   HD13  LEU  14          HD13      LEU  14  42.209   3.167   2.674
  137   HD21  LEU  14          HD21      LEU  14  44.022   4.360   1.492
  138   HD22  LEU  14          HD22      LEU  14  44.165   6.122   1.676
  139   HD23  LEU  14          HD23      LEU  14  43.122   5.441   0.403
  140    H    LEU  15           HN       LEU  15  44.122   9.205   1.507
  141    HA   LEU  15           HA       LEU  15  43.785   9.072  -1.452
  142    HB2  LEU  15           HB2      LEU  15  45.920  10.630  -1.245
  143    HB3  LEU  15           HB1      LEU  15  44.312  11.266  -0.834
  144    HG   LEU  15           HG       LEU  15  44.706  10.895   1.544
  145   HD11  LEU  15          HD11      LEU  15  46.004   8.883   1.612
  146   HD12  LEU  15          HD12      LEU  15  47.083  10.152   2.231
  147   HD13  LEU  15          HD13      LEU  15  47.264   9.570   0.559
  148   HD21  LEU  15          HD21      LEU  15  46.453  12.537   1.894
  149   HD22  LEU  15          HD22      LEU  15  45.609  12.962   0.385
  150   HD23  LEU  15          HD23      LEU  15  47.195  12.157   0.320
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1  17.455   3.224   2.041
    2    H2   LYS   1           HT2      LYS   1  16.386   4.214   1.165
    3    H3   LYS   1           HT3      LYS   1  17.345   4.877   2.400
    4    HA   LYS   1           HA       LYS   1  18.572   3.547   0.099
    5    HB2  LYS   1           HB2      LYS   1  18.729   5.815  -0.960
    6    HB3  LYS   1           HB1      LYS   1  17.069   5.180  -0.891
    7    HG2  LYS   1           HG2      LYS   1  16.677   6.496   1.195
    8    HG3  LYS   1           HG1      LYS   1  18.315   7.178   1.048
    9    HD2  LYS   1           HD2      LYS   1  17.758   8.217  -1.080
   10    HD3  LYS   1           HD1      LYS   1  16.172   7.407  -1.108
   11    HE2  LYS   1           HE2      LYS   1  15.847   9.697  -0.349
   12    HE3  LYS   1           HE1      LYS   1  15.596   8.607   1.036
   13    HZ1  LYS   1           HZ1      LYS   1  17.105   9.857   2.064
   14    HZ2  LYS   1           HZ2      LYS   1  17.600  10.622   0.631
   15    HZ3  LYS   1           HZ3      LYS   1  18.273   9.126   1.076
   16    H    LYS   2           HN       LYS   2  20.690   4.691  -0.357
   17    HA   LYS   2           HA       LYS   2  21.857   6.221   1.851
   18    HB2  LYS   2           HB2      LYS   2  23.727   4.290   2.046
   19    HB3  LYS   2           HB1      LYS   2  22.273   4.278   3.064
   20    HG2  LYS   2           HG2      LYS   2  22.680   2.053   2.077
   21    HG3  LYS   2           HG1      LYS   2  21.154   2.736   1.481
   22    HD2  LYS   2           HD2      LYS   2  22.210   3.395  -0.618
   23    HD3  LYS   2           HD1      LYS   2  23.811   2.907  -0.007
   24    HE2  LYS   2           HE2      LYS   2  22.752   1.194  -1.516
   25    HE3  LYS   2           HE1      LYS   2  23.117   0.577   0.113
   26    HZ1  LYS   2           HZ1      LYS   2  20.752   0.286  -1.036
   27    HZ2  LYS   2           HZ2      LYS   2  20.487   1.785  -0.283
   28    HZ3  LYS   2           HZ3      LYS   2  20.937   0.434   0.642
   29    H    LEU   3           HN       LEU   3  21.667   7.289  -0.369
   30    HA   LEU   3           HA       LEU   3  24.162   6.760  -1.963
   31    HB2  LEU   3           HB2      LEU   3  21.911   8.684  -2.664
   32    HB3  LEU   3           HB1      LEU   3  23.133   7.963  -3.739
   33    HG   LEU   3           HG       LEU   3  20.873   6.483  -2.323
   34   HD11  LEU   3          HD11      LEU   3  20.291   7.930  -4.327
   35   HD12  LEU   3          HD12      LEU   3  19.945   6.197  -4.541
   36   HD13  LEU   3          HD13      LEU   3  21.387   6.916  -5.296
   37   HD21  LEU   3          HD21      LEU   3  23.207   5.543  -4.040
   38   HD22  LEU   3          HD22      LEU   3  21.723   4.579  -3.855
   39   HD23  LEU   3          HD23      LEU   3  22.717   4.960  -2.431
   40    H    LEU   4           HN       LEU   4  23.250   8.255   0.739
   41    HA   LEU   4           HA       LEU   4  24.260  10.970   0.192
   42    HB2  LEU   4           HB2      LEU   4  23.847   9.808   2.959
   43    HB3  LEU   4           HB1      LEU   4  23.632  11.480   2.396
   44    HG   LEU   4           HG       LEU   4  21.886   9.083   1.678
   45   HD11  LEU   4          HD11      LEU   4  21.328  11.637   3.251
   46   HD12  LEU   4          HD12      LEU   4  21.539  10.014   3.952
   47   HD13  LEU   4          HD13      LEU   4  20.148  10.353   2.893
   48   HD21  LEU   4          HD21      LEU   4  20.477  10.922   0.570
   49   HD22  LEU   4          HD22      LEU   4  21.985  10.497  -0.271
   50   HD23  LEU   4          HD23      LEU   4  21.903  11.977   0.716
   51    HA   PRO   5           HA       PRO   5  28.050   9.376   2.560
   52    HB2  PRO   5           HB2      PRO   5  28.463   6.752   3.044
   53    HB3  PRO   5           HB1      PRO   5  27.300   7.705   4.022
   54    HG2  PRO   5           HG2      PRO   5  26.773   5.748   1.808
   55    HG3  PRO   5           HG1      PRO   5  25.850   6.046   3.313
   56    HD2  PRO   5           HD2      PRO   5  25.241   7.114   0.743
   57    HD3  PRO   5           HD1      PRO   5  24.553   7.675   2.298
   58    H    ILE   6           HN       ILE   6  26.926   7.877  -0.340
   59    HA   ILE   6           HA       ILE   6  29.480   6.791  -1.215
   60    HB   ILE   6           HB       ILE   6  27.169   7.671  -2.997
   61   HG12  ILE   6          HG12      ILE   6  27.587   5.034  -1.511
   62   HG13  ILE   6          HG11      ILE   6  26.330   6.237  -1.155
   63   HG21  ILE   6          HG21      ILE   6  29.146   5.373  -3.323
   64   HG22  ILE   6          HG22      ILE   6  29.445   6.997  -3.985
   65   HG23  ILE   6          HG23      ILE   6  28.048   6.053  -4.546
   66   HD11  ILE   6           HD1      ILE   6  26.604   4.450  -3.592
   67   HD12  ILE   6           HD2      ILE   6  25.632   5.939  -3.658
   68   HD13  ILE   6           HD3      ILE   6  25.209   4.649  -2.510
   69    H    VAL   7           HN       VAL   7  27.858   9.921  -1.397
   70    HA   VAL   7           HA       VAL   7  29.396  11.097  -3.440
   71    HB   VAL   7           HB       VAL   7  28.433  12.469  -0.927
   72   HG11  VAL   7          HG11      VAL   7  28.238  14.437  -2.516
   73   HG12  VAL   7          HG12      VAL   7  29.060  13.450  -3.748
   74   HG13  VAL   7          HG13      VAL   7  29.908  13.887  -2.246
   75   HG21  VAL   7          HG21      VAL   7  26.348  12.923  -2.199
   76   HG22  VAL   7          HG22      VAL   7  26.611  11.173  -2.006
   77   HG23  VAL   7          HG23      VAL   7  26.971  11.961  -3.561
   78    H    ALA   8           HN       ALA   8  30.018  10.381  -0.268
   79    HA   ALA   8           HA       ALA   8  32.396  12.001   0.115
   80    HB1  ALA   8           HB1      ALA   8  32.670  10.821   2.174
   81    HB2  ALA   8           HB2      ALA   8  31.673   9.461   1.604
   82    HB3  ALA   8           HB3      ALA   8  30.920  11.039   1.939
   83    H    ASN   9           HN       ASN   9  31.750   8.706  -1.033
   84    HA   ASN   9           HA       ASN   9  34.356   7.639  -0.901
   85    HB2  ASN   9           HB2      ASN   9  32.320   7.252  -3.134
   86    HB3  ASN   9           HB1      ASN   9  33.678   6.168  -2.744
   87   HD21  ASN   9          HD21      ASN   9  32.875   7.186   0.253
   88   HD22  ASN   9          HD22      ASN   9  31.636   5.997   0.668
   89    H    LEU  10           HN       LEU  10  32.862   9.694  -3.420
   90    HA   LEU  10           HA       LEU  10  35.033   9.642  -5.256
   91    HB2  LEU  10           HB2      LEU  10  32.877  11.686  -4.623
   92    HB3  LEU  10           HB1      LEU  10  34.102  12.002  -5.874
   93    HG   LEU  10           HG       LEU  10  33.456   9.916  -7.044
   94   HD11  LEU  10          HD11      LEU  10  31.539   9.679  -4.692
   95   HD12  LEU  10          HD12      LEU  10  32.688   8.469  -5.314
   96   HD13  LEU  10          HD13      LEU  10  31.223   8.861  -6.242
   97   HD21  LEU  10          HD21      LEU  10  31.325  10.712  -7.896
   98   HD22  LEU  10          HD22      LEU  10  32.314  12.134  -7.488
   99   HD23  LEU  10          HD23      LEU  10  31.008  11.614  -6.395
  100    H    LEU  11           HN       LEU  11  34.328  11.908  -2.558
  101    HA   LEU  11           HA       LEU  11  36.823  13.366  -2.962
  102    HB2  LEU  11           HB2      LEU  11  35.190  13.361  -0.404
  103    HB3  LEU  11           HB1      LEU  11  36.152  14.680  -1.114
  104    HG   LEU  11           HG       LEU  11  33.545  13.525  -2.200
  105   HD11  LEU  11          HD11      LEU  11  34.303  16.273  -1.109
  106   HD12  LEU  11          HD12      LEU  11  33.300  15.060  -0.277
  107   HD13  LEU  11          HD13      LEU  11  32.714  15.826  -1.773
  108   HD21  LEU  11          HD21      LEU  11  35.518  15.546  -3.347
  109   HD22  LEU  11          HD22      LEU  11  33.816  15.470  -3.867
  110   HD23  LEU  11          HD23      LEU  11  34.886  14.072  -4.118
  111    H    LYS  12           HN       LYS  12  36.065  10.342  -1.658
  112    HA   LYS  12           HA       LYS  12  37.261   8.849  -0.349
  113    HB2  LYS  12           HB2      LYS  12  38.964   9.315  -2.115
  114    HB3  LYS  12           HB1      LYS  12  39.625  10.614  -1.093
  115    HG2  LYS  12           HG2      LYS  12  40.269   9.061   0.629
  116    HG3  LYS  12           HG1      LYS  12  39.337   7.743  -0.117
  117    HD2  LYS  12           HD2      LYS  12  41.779   7.530  -0.569
  118    HD3  LYS  12           HD1      LYS  12  40.836   7.735  -2.063
  119    HE2  LYS  12           HE2      LYS  12  43.001   9.155  -1.789
  120    HE3  LYS  12           HE1      LYS  12  41.528   9.988  -2.335
  121    HZ1  LYS  12           HZ1      LYS  12  41.229  10.971  -0.288
  122    HZ2  LYS  12           HZ2      LYS  12  42.924  10.966  -0.402
  123    HZ3  LYS  12           HZ3      LYS  12  42.129   9.803   0.548
  124    H    SER  13           HN       SER  13  36.080   9.723   1.517
  125    HA   SER  13           HA       SER  13  37.416  11.698   3.211
  126    HB2  SER  13           HB2      SER  13  35.645  10.942   4.879
  127    HB3  SER  13           HB1      SER  13  35.028  11.578   3.338
  128    HG   SER  13           HG       SER  13  34.763   9.442   2.636
  129    H    LEU  14           HN       LEU  14  36.221   8.907   4.871
  130    HA   LEU  14           HA       LEU  14  37.291   7.541   6.419
  131    HB2  LEU  14           HB2      LEU  14  39.506   7.293   4.358
  132    HB3  LEU  14           HB1      LEU  14  38.917   6.067   5.507
  133    HG   LEU  14           HG       LEU  14  37.389   7.206   3.125
  134   HD11  LEU  14          HD11      LEU  14  38.380   4.380   3.707
  135   HD12  LEU  14          HD12      LEU  14  39.213   5.538   2.643
  136   HD13  LEU  14          HD13      LEU  14  37.588   4.950   2.218
  137   HD21  LEU  14          HD21      LEU  14  35.746   6.790   4.811
  138   HD22  LEU  14          HD22      LEU  14  36.584   5.327   5.385
  139   HD23  LEU  14          HD23      LEU  14  35.747   5.317   3.814
  140    H    LEU  15           HN       LEU  15  37.643   9.491   7.753
  141    HA   LEU  15           HA       LEU  15  40.300  10.717   7.720
  142    HB2  LEU  15           HB2      LEU  15  38.322  10.815  10.021
  143    HB3  LEU  15           HB1      LEU  15  39.518  12.037   9.526
  144    HG   LEU  15           HG       LEU  15  37.012  11.220   7.989
  145   HD11  LEU  15          HD11      LEU  15  37.805  13.882   9.247
  146   HD12  LEU  15          HD12      LEU  15  36.725  12.695  10.018
  147   HD13  LEU  15          HD13      LEU  15  36.246  13.473   8.490
  148   HD21  LEU  15          HD21      LEU  15  39.339  13.064   7.303
  149   HD22  LEU  15          HD22      LEU  15  37.743  13.225   6.530
  150   HD23  LEU  15          HD23      LEU  15  38.676  11.723   6.338
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1  17.353  12.355   1.372
    2    H2   LYS   1           HT2      LYS   1  18.342  12.142   0.005
    3    H3   LYS   1           HT3      LYS   1  18.912  11.710   1.548
    4    HA   LYS   1           HA       LYS   1  17.118  10.063   1.699
    5    HB2  LYS   1           HB2      LYS   1  15.660  11.135  -0.007
    6    HB3  LYS   1           HB1      LYS   1  16.849  10.715  -1.264
    7    HG2  LYS   1           HG2      LYS   1  16.525   8.355  -0.907
    8    HG3  LYS   1           HG1      LYS   1  15.577   8.644   0.572
    9    HD2  LYS   1           HD2      LYS   1  13.758   9.613  -0.683
   10    HD3  LYS   1           HD1      LYS   1  14.728   9.650  -2.174
   11    HE2  LYS   1           HE2      LYS   1  14.846   7.163  -2.144
   12    HE3  LYS   1           HE1      LYS   1  13.834   7.144  -0.681
   13    HZ1  LYS   1           HZ1      LYS   1  12.104   7.138  -2.054
   14    HZ2  LYS   1           HZ2      LYS   1  13.067   7.464  -3.416
   15    HZ3  LYS   1           HZ3      LYS   1  12.484   8.741  -2.457
   16    H    LYS   2           HN       LYS   2  19.247   9.260   2.258
   17    HA   LYS   2           HA       LYS   2  21.086   7.883   1.917
   18    HB2  LYS   2           HB2      LYS   2  19.544   6.806  -0.470
   19    HB3  LYS   2           HB1      LYS   2  20.741   5.953   0.534
   20    HG2  LYS   2           HG2      LYS   2  19.213   6.221   2.508
   21    HG3  LYS   2           HG1      LYS   2  17.997   6.940   1.426
   22    HD2  LYS   2           HD2      LYS   2  17.903   4.887   0.095
   23    HD3  LYS   2           HD1      LYS   2  19.211   4.166   1.064
   24    HE2  LYS   2           HE2      LYS   2  16.918   3.393   1.759
   25    HE3  LYS   2           HE1      LYS   2  17.816   4.200   3.066
   26    HZ1  LYS   2           HZ1      LYS   2  15.565   5.026   2.963
   27    HZ2  LYS   2           HZ2      LYS   2  15.741   5.440   1.325
   28    HZ3  LYS   2           HZ3      LYS   2  16.637   6.261   2.512
   29    H    LEU   3           HN       LEU   3  22.297   6.786  -0.271
   30    HA   LEU   3           HA       LEU   3  23.838   7.318  -1.909
   31    HB2  LEU   3           HB2      LEU   3  22.176   9.774  -2.577
   32    HB3  LEU   3           HB1      LEU   3  23.245   8.839  -3.644
   33    HG   LEU   3           HG       LEU   3  20.610   7.887  -2.433
   34   HD11  LEU   3          HD11      LEU   3  21.460   8.379  -5.321
   35   HD12  LEU   3          HD12      LEU   3  20.450   9.482  -4.353
   36   HD13  LEU   3          HD13      LEU   3  19.851   7.857  -4.766
   37   HD21  LEU   3          HD21      LEU   3  21.085   5.893  -4.022
   38   HD22  LEU   3          HD22      LEU   3  22.019   5.957  -2.512
   39   HD23  LEU   3          HD23      LEU   3  22.771   6.466  -4.044
   40    H    LEU   4           HN       LEU   4  23.269   9.043   0.826
   41    HA   LEU   4           HA       LEU   4  25.035  11.328   0.322
   42    HB2  LEU   4           HB2      LEU   4  24.324  10.236   3.062
   43    HB3  LEU   4           HB1      LEU   4  24.699  11.907   2.591
   44    HG   LEU   4           HG       LEU   4  22.225  10.314   1.801
   45   HD11  LEU   4          HD11      LEU   4  22.376  11.235   4.160
   46   HD12  LEU   4          HD12      LEU   4  21.028  11.886   3.197
   47   HD13  LEU   4          HD13      LEU   4  22.496  12.861   3.447
   48   HD21  LEU   4          HD21      LEU   4  22.754  11.719  -0.074
   49   HD22  LEU   4          HD22      LEU   4  23.254  13.063   0.981
   50   HD23  LEU   4          HD23      LEU   4  21.535  12.616   0.858
   51    HA   PRO   5           HA       PRO   5  28.267   8.622   2.484
   52    HB2  PRO   5           HB2      PRO   5  27.889   5.999   2.959
   53    HB3  PRO   5           HB1      PRO   5  27.085   7.240   3.973
   54    HG2  PRO   5           HG2      PRO   5  25.943   5.543   1.780
   55    HG3  PRO   5           HG1      PRO   5  25.188   6.096   3.304
   56    HD2  PRO   5           HD2      PRO   5  24.880   7.311   0.733
   57    HD3  PRO   5           HD1      PRO   5  24.390   8.026   2.303
   58    H    ILE   6           HN       ILE   6  27.693   8.938  -0.352
   59    HA   ILE   6           HA       ILE   6  29.548   6.830  -1.425
   60    HB   ILE   6           HB       ILE   6  27.139   7.860  -2.988
   61   HG12  ILE   6          HG12      ILE   6  27.443   5.297  -1.356
   62   HG13  ILE   6          HG11      ILE   6  26.303   6.623  -1.037
   63   HG21  ILE   6          HG21      ILE   6  29.239   6.901  -4.138
   64   HG22  ILE   6          HG22      ILE   6  27.694   6.120  -4.538
   65   HG23  ILE   6          HG23      ILE   6  28.812   5.344  -3.390
   66   HD11  ILE   6           HD1      ILE   6  25.422   6.183  -3.449
   67   HD12  ILE   6           HD2      ILE   6  24.997   5.006  -2.184
   68   HD13  ILE   6           HD3      ILE   6  26.302   4.640  -3.335
   69    H    VAL   7           HN       VAL   7  28.008  10.028  -1.752
   70    HA   VAL   7           HA       VAL   7  29.696  10.934  -3.871
   71    HB   VAL   7           HB       VAL   7  28.364  12.581  -1.715
   72   HG11  VAL   7          HG11      VAL   7  29.439  13.231  -4.494
   73   HG12  VAL   7          HG12      VAL   7  29.962  13.918  -2.937
   74   HG13  VAL   7          HG13      VAL   7  28.356  14.316  -3.591
   75   HG21  VAL   7          HG21      VAL   7  27.338  11.627  -4.430
   76   HG22  VAL   7          HG22      VAL   7  26.515  12.825  -3.403
   77   HG23  VAL   7          HG23      VAL   7  26.713  11.151  -2.833
   78    H    ALA   8           HN       ALA   8  29.931  10.698  -0.576
   79    HA   ALA   8           HA       ALA   8  32.309  12.398  -0.241
   80    HB1  ALA   8           HB1      ALA   8  30.528  12.030   1.520
   81    HB2  ALA   8           HB2      ALA   8  32.203  11.784   2.070
   82    HB3  ALA   8           HB3      ALA   8  31.166  10.381   1.715
   83    H    ASN   9           HN       ASN   9  31.575   9.018  -0.836
   84    HA   ASN   9           HA       ASN   9  34.026   7.867   0.063
   85    HB2  ASN   9           HB2      ASN   9  32.042   6.540  -0.570
   86    HB3  ASN   9           HB1      ASN   9  32.254   7.029  -2.268
   87   HD21  ASN   9          HD21      ASN   9  32.522   4.649  -2.737
   88   HD22  ASN   9          HD22      ASN   9  34.098   3.910  -2.434
   89    H    LEU  10           HN       LEU  10  33.065   9.023  -3.203
   90    HA   LEU  10           HA       LEU  10  35.743   8.588  -4.276
   91    HB2  LEU  10           HB2      LEU  10  33.595  10.375  -5.466
   92    HB3  LEU  10           HB1      LEU  10  34.876   9.469  -6.306
   93    HG   LEU  10           HG       LEU  10  32.495   8.280  -4.814
   94   HD11  LEU  10          HD11      LEU  10  33.261   8.294  -7.769
   95   HD12  LEU  10          HD12      LEU  10  31.972   9.275  -7.032
   96   HD13  LEU  10          HD13      LEU  10  31.832   7.502  -7.065
   97   HD21  LEU  10          HD21      LEU  10  34.298   6.746  -4.493
   98   HD22  LEU  10          HD22      LEU  10  34.947   7.032  -6.126
   99   HD23  LEU  10          HD23      LEU  10  33.431   6.122  -5.914
  100    H    LEU  11           HN       LEU  11  34.250  11.048  -2.393
  101    HA   LEU  11           HA       LEU  11  36.385  13.031  -3.176
  102    HB2  LEU  11           HB2      LEU  11  33.896  13.645  -3.385
  103    HB3  LEU  11           HB1      LEU  11  33.841  13.585  -1.610
  104    HG   LEU  11           HG       LEU  11  35.957  15.197  -1.763
  105   HD11  LEU  11          HD11      LEU  11  34.604  15.595  -4.476
  106   HD12  LEU  11          HD12      LEU  11  36.295  15.121  -4.185
  107   HD13  LEU  11          HD13      LEU  11  35.739  16.749  -3.742
  108   HD21  LEU  11          HD21      LEU  11  34.419  17.167  -1.812
  109   HD22  LEU  11          HD22      LEU  11  33.799  15.850  -0.785
  110   HD23  LEU  11          HD23      LEU  11  33.116  16.111  -2.408
  111    H    LYS  12           HN       LYS  12  37.924  11.816  -1.857
  112    HA   LYS  12           HA       LYS  12  39.111  11.513   0.112
  113    HB2  LYS  12           HB2      LYS  12  37.465  13.815   1.221
  114    HB3  LYS  12           HB1      LYS  12  39.095  13.303   1.715
  115    HG2  LYS  12           HG2      LYS  12  38.356  14.384  -1.045
  116    HG3  LYS  12           HG1      LYS  12  39.143  15.321   0.247
  117    HD2  LYS  12           HD2      LYS  12  40.951  13.436   0.237
  118    HD3  LYS  12           HD1      LYS  12  40.250  12.968  -1.331
  119    HE2  LYS  12           HE2      LYS  12  41.292  15.751  -0.648
  120    HE3  LYS  12           HE1      LYS  12  42.178  14.529  -1.589
  121    HZ1  LYS  12           HZ1      LYS  12  40.270  16.350  -2.503
  122    HZ2  LYS  12           HZ2      LYS  12  39.579  14.805  -2.639
  123    HZ3  LYS  12           HZ3      LYS  12  41.066  15.142  -3.387
  124    H    SER  13           HN       SER  13  38.109   9.470   0.456
  125    HA   SER  13           HA       SER  13  35.709   9.276   2.103
  126    HB2  SER  13           HB2      SER  13  36.417   7.536   0.450
  127    HB3  SER  13           HB1      SER  13  37.810   7.161   1.488
  128    HG   SER  13           HG       SER  13  35.338   6.241   1.674
  129    H    LEU  14           HN       LEU  14  36.382  10.690   3.870
  130    HA   LEU  14           HA       LEU  14  38.602   9.868   5.578
  131    HB2  LEU  14           HB2      LEU  14  36.247  11.713   6.140
  132    HB3  LEU  14           HB1      LEU  14  37.720  11.582   7.124
  133    HG   LEU  14           HG       LEU  14  37.828  12.277   4.157
  134   HD11  LEU  14          HD11      LEU  14  36.385  13.941   5.272
  135   HD12  LEU  14          HD12      LEU  14  37.955  14.661   4.844
  136   HD13  LEU  14          HD13      LEU  14  37.621  14.189   6.528
  137   HD21  LEU  14          HD21      LEU  14  39.733  12.566   6.529
  138   HD22  LEU  14          HD22      LEU  14  39.979  13.426   4.992
  139   HD23  LEU  14          HD23      LEU  14  39.986  11.651   5.026
  140    H    LEU  15           HN       LEU  15  37.683   9.990   8.123
  141    HA   LEU  15           HA       LEU  15  36.839   7.339   8.636
  142    HB2  LEU  15           HB2      LEU  15  36.750   9.897  10.267
  143    HB3  LEU  15           HB1      LEU  15  36.138   8.364  10.932
  144    HG   LEU  15           HG       LEU  15  38.337   7.300  10.508
  145   HD11  LEU  15          HD11      LEU  15  40.265   8.949   9.972
  146   HD12  LEU  15          HD12      LEU  15  38.995  10.056   9.399
  147   HD13  LEU  15          HD13      LEU  15  39.211   8.469   8.622
  148   HD21  LEU  15          HD21      LEU  15  37.796   8.546  12.660
  149   HD22  LEU  15          HD22      LEU  15  38.683   9.940  11.994
  150   HD23  LEU  15          HD23      LEU  15  39.534   8.406  12.299
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1  17.168   9.436  -5.707
    2    H2   LYS   1           HT2      LYS   1  16.989  10.854  -6.626
    3    H3   LYS   1           HT3      LYS   1  16.181  10.692  -5.139
    4    HA   LYS   1           HA       LYS   1  18.826  11.565  -5.708
    5    HB2  LYS   1           HB2      LYS   1  16.883  11.659  -3.374
    6    HB3  LYS   1           HB1      LYS   1  18.531  12.317  -3.250
    7    HG2  LYS   1           HG2      LYS   1  16.958  14.098  -3.874
    8    HG3  LYS   1           HG1      LYS   1  18.080  13.779  -5.218
    9    HD2  LYS   1           HD2      LYS   1  16.433  12.649  -6.496
   10    HD3  LYS   1           HD1      LYS   1  15.386  12.371  -5.083
   11    HE2  LYS   1           HE2      LYS   1  16.021  15.155  -6.143
   12    HE3  LYS   1           HE1      LYS   1  14.619  14.206  -6.697
   13    HZ1  LYS   1           HZ1      LYS   1  14.049  15.690  -4.863
   14    HZ2  LYS   1           HZ2      LYS   1  15.204  14.939  -3.869
   15    HZ3  LYS   1           HZ3      LYS   1  13.853  14.066  -4.415
   16    H    LYS   2           HN       LYS   2  20.584  11.255  -4.093
   17    HA   LYS   2           HA       LYS   2  20.566   8.870  -2.443
   18    HB2  LYS   2           HB2      LYS   2  20.745   7.961  -4.852
   19    HB3  LYS   2           HB1      LYS   2  22.357   8.712  -4.896
   20    HG2  LYS   2           HG2      LYS   2  23.142   7.342  -3.071
   21    HG3  LYS   2           HG1      LYS   2  21.500   6.761  -2.711
   22    HD2  LYS   2           HD2      LYS   2  22.806   5.061  -3.953
   23    HD3  LYS   2           HD1      LYS   2  21.402   5.619  -4.894
   24    HE2  LYS   2           HE2      LYS   2  24.099   6.967  -5.256
   25    HE3  LYS   2           HE1      LYS   2  23.744   5.433  -6.084
   26    HZ1  LYS   2           HZ1      LYS   2  22.973   7.973  -6.863
   27    HZ2  LYS   2           HZ2      LYS   2  21.551   7.218  -6.321
   28    HZ3  LYS   2           HZ3      LYS   2  22.486   6.497  -7.543
   29    H    LEU   3           HN       LEU   3  21.071  11.370  -1.699
   30    HA   LEU   3           HA       LEU   3  23.883  12.082  -1.929
   31    HB2  LEU   3           HB2      LEU   3  21.580  12.966  -0.155
   32    HB3  LEU   3           HB1      LEU   3  23.235  13.546   0.140
   33    HG   LEU   3           HG       LEU   3  23.361  14.462  -2.132
   34   HD11  LEU   3          HD11      LEU   3  22.065  12.938  -3.438
   35   HD12  LEU   3          HD12      LEU   3  21.161  14.467  -3.487
   36   HD13  LEU   3          HD13      LEU   3  20.627  13.153  -2.412
   37   HD21  LEU   3          HD21      LEU   3  22.295  15.782  -0.252
   38   HD22  LEU   3          HD22      LEU   3  20.707  15.246  -0.851
   39   HD23  LEU   3          HD23      LEU   3  21.747  16.264  -1.875
   40    H    LEU   4           HN       LEU   4  22.491   9.452  -0.640
   41    HA   LEU   4           HA       LEU   4  23.362   9.176   2.000
   42    HB2  LEU   4           HB2      LEU   4  23.628   7.010  -0.117
   43    HB3  LEU   4           HB1      LEU   4  23.357   6.788   1.624
   44    HG   LEU   4           HG       LEU   4  21.420   8.049  -0.367
   45   HD11  LEU   4          HD11      LEU   4  21.603   5.573  -0.459
   46   HD12  LEU   4          HD12      LEU   4  20.025   6.090   0.181
   47   HD13  LEU   4          HD13      LEU   4  21.283   5.492   1.289
   48   HD21  LEU   4          HD21      LEU   4  21.047   9.242   1.656
   49   HD22  LEU   4          HD22      LEU   4  21.391   7.817   2.669
   50   HD23  LEU   4          HD23      LEU   4  19.875   7.907   1.740
   51    HA   PRO   5           HA       PRO   5  27.804   9.416   2.266
   52    HB2  PRO   5           HB2      PRO   5  27.664   6.592   3.369
   53    HB3  PRO   5           HB1      PRO   5  28.602   8.000   3.965
   54    HG2  PRO   5           HG2      PRO   5  26.330   7.273   5.155
   55    HG3  PRO   5           HG1      PRO   5  26.732   9.003   4.919
   56    HD2  PRO   5           HD2      PRO   5  24.706   7.317   3.470
   57    HD3  PRO   5           HD1      PRO   5  24.705   9.080   3.808
   58    H    ILE   6           HN       ILE   6  27.930   9.354  -0.109
   59    HA   ILE   6           HA       ILE   6  29.462   6.976  -1.010
   60    HB   ILE   6           HB       ILE   6  27.076   7.950  -2.655
   61   HG12  ILE   6          HG12      ILE   6  27.397   5.481  -0.882
   62   HG13  ILE   6          HG11      ILE   6  26.207   6.783  -0.688
   63   HG21  ILE   6          HG21      ILE   6  28.759   5.425  -2.964
   64   HG22  ILE   6          HG22      ILE   6  29.156   6.942  -3.803
   65   HG23  ILE   6          HG23      ILE   6  27.614   6.127  -4.130
   66   HD11  ILE   6           HD1      ILE   6  24.975   5.064  -1.749
   67   HD12  ILE   6           HD2      ILE   6  26.324   4.637  -2.826
   68   HD13  ILE   6           HD3      ILE   6  25.416   6.147  -3.092
   69    H    VAL   7           HN       VAL   7  28.021  10.155  -1.784
   70    HA   VAL   7           HA       VAL   7  29.775  10.785  -3.919
   71    HB   VAL   7           HB       VAL   7  28.548  12.700  -1.929
   72   HG11  VAL   7          HG11      VAL   7  30.200  13.825  -3.292
   73   HG12  VAL   7          HG12      VAL   7  28.607  14.242  -3.966
   74   HG13  VAL   7          HG13      VAL   7  29.620  13.017  -4.766
   75   HG21  VAL   7          HG21      VAL   7  26.693  12.869  -3.614
   76   HG22  VAL   7          HG22      VAL   7  26.820  11.246  -2.892
   77   HG23  VAL   7          HG23      VAL   7  27.446  11.542  -4.532
   78    H    ALA   8           HN       ALA   8  30.031  10.860  -0.618
   79    HA   ALA   8           HA       ALA   8  32.409  12.525  -0.394
   80    HB1  ALA   8           HB1      ALA   8  32.406  11.923   1.921
   81    HB2  ALA   8           HB2      ALA   8  31.410  10.480   1.610
   82    HB3  ALA   8           HB3      ALA   8  30.706  12.106   1.433
   83    H    ASN   9           HN       ASN   9  31.757   9.028  -0.561
   84    HA   ASN   9           HA       ASN   9  34.303   8.037   0.098
   85    HB2  ASN   9           HB2      ASN   9  32.450   7.023  -2.095
   86    HB3  ASN   9           HB1      ASN   9  33.734   6.091  -1.286
   87   HD21  ASN   9          HD21      ASN   9  32.175   4.543  -0.398
   88   HD22  ASN   9          HD22      ASN   9  31.104   5.015   0.925
   89    H    LEU  10           HN       LEU  10  33.160   9.522  -2.915
   90    HA   LEU  10           HA       LEU  10  35.588   8.862  -4.398
   91    HB2  LEU  10           HB2      LEU  10  33.642  11.092  -5.075
   92    HB3  LEU  10           HB1      LEU  10  34.626  10.098  -6.176
   93    HG   LEU  10           HG       LEU  10  32.268   9.148  -4.490
   94   HD11  LEU  10          HD11      LEU  10  31.795  10.506  -6.582
   95   HD12  LEU  10          HD12      LEU  10  31.142   8.850  -6.613
   96   HD13  LEU  10          HD13      LEU  10  32.627   9.240  -7.514
   97   HD21  LEU  10          HD21      LEU  10  33.815   7.318  -4.566
   98   HD22  LEU  10          HD22      LEU  10  34.268   7.670  -6.250
   99   HD23  LEU  10          HD23      LEU  10  32.660   7.003  -5.881
  100    H    LEU  11           HN       LEU  11  34.335  11.716  -2.654
  101    HA   LEU  11           HA       LEU  11  36.281  13.593  -3.399
  102    HB2  LEU  11           HB2      LEU  11  34.399  14.259  -2.052
  103    HB3  LEU  11           HB1      LEU  11  34.864  13.151  -0.743
  104    HG   LEU  11           HG       LEU  11  36.818  14.479  -0.203
  105   HD11  LEU  11          HD11      LEU  11  37.183  16.669  -1.546
  106   HD12  LEU  11          HD12      LEU  11  36.155  15.928  -2.796
  107   HD13  LEU  11          HD13      LEU  11  37.684  15.150  -2.323
  108   HD21  LEU  11          HD21      LEU  11  34.549  16.428  -0.786
  109   HD22  LEU  11          HD22      LEU  11  35.770  16.543   0.504
  110   HD23  LEU  11          HD23      LEU  11  34.528  15.269   0.563
  111    H    LYS  12           HN       LYS  12  36.420  12.001  -0.188
  112    HA   LYS  12           HA       LYS  12  39.133  11.024  -0.622
  113    HB2  LYS  12           HB2      LYS  12  39.470  13.525  -0.344
  114    HB3  LYS  12           HB1      LYS  12  38.816  13.356   1.302
  115    HG2  LYS  12           HG2      LYS  12  40.605  11.843   1.933
  116    HG3  LYS  12           HG1      LYS  12  41.189  11.752   0.256
  117    HD2  LYS  12           HD2      LYS  12  42.588  13.291   1.600
  118    HD3  LYS  12           HD1      LYS  12  41.738  14.165   0.304
  119    HE2  LYS  12           HE2      LYS  12  40.223  15.179   1.809
  120    HE3  LYS  12           HE1      LYS  12  40.504  13.955   3.072
  121    HZ1  LYS  12           HZ1      LYS  12  42.150  15.166   3.890
  122    HZ2  LYS  12           HZ2      LYS  12  41.747  16.411   2.806
  123    HZ3  LYS  12           HZ3      LYS  12  42.927  15.264   2.386
  124    H    SER  13           HN       SER  13  37.467   9.310   0.054
  125    HA   SER  13           HA       SER  13  36.668   7.864   1.686
  126    HB2  SER  13           HB2      SER  13  38.909   8.972   3.409
  127    HB3  SER  13           HB1      SER  13  38.173   7.357   3.483
  128    HG   SER  13           HG       SER  13  40.263   7.698   2.271
  129    H    LEU  14           HN       LEU  14  36.011   7.689   4.107
  130    HA   LEU  14           HA       LEU  14  34.254   9.984   4.624
  131    HB2  LEU  14           HB2      LEU  14  34.717   7.601   6.452
  132    HB3  LEU  14           HB1      LEU  14  33.262   8.615   6.297
  133    HG   LEU  14           HG       LEU  14  34.373   6.711   4.186
  134   HD11  LEU  14          HD11      LEU  14  31.782   6.650   5.798
  135   HD12  LEU  14          HD12      LEU  14  33.217   5.655   6.142
  136   HD13  LEU  14          HD13      LEU  14  32.325   5.434   4.617
  137   HD21  LEU  14          HD21      LEU  14  32.106   7.311   3.073
  138   HD22  LEU  14          HD22      LEU  14  33.396   8.532   2.984
  139   HD23  LEU  14          HD23      LEU  14  32.077   8.715   4.167
  140    H    LEU  15           HN       LEU  15  35.697  11.701   5.051
  141    HA   LEU  15           HA       LEU  15  36.484  11.843   7.863
  142    HB2  LEU  15           HB2      LEU  15  38.442  10.650   7.033
  143    HB3  LEU  15           HB1      LEU  15  38.617  11.795   5.687
  144    HG   LEU  15           HG       LEU  15  39.146  13.616   7.243
  145   HD11  LEU  15          HD11      LEU  15  37.842  13.217   9.187
  146   HD12  LEU  15          HD12      LEU  15  39.499  12.889   9.738
  147   HD13  LEU  15          HD13      LEU  15  38.410  11.537   9.340
  148   HD21  LEU  15          HD21      LEU  15  40.981  12.126   6.509
  149   HD22  LEU  15          HD22      LEU  15  40.683  11.064   7.907
  150   HD23  LEU  15          HD23      LEU  15  41.269  12.727   8.159
  Start of MODEL   11
    1    H1   LYS   1           HT1      LYS   1  17.969  12.859  -4.701
    2    H2   LYS   1           HT2      LYS   1  19.443  13.698  -4.787
    3    H3   LYS   1           HT3      LYS   1  19.211  12.501  -3.605
    4    HA   LYS   1           HA       LYS   1  18.694  11.150  -5.846
    5    HB2  LYS   1           HB2      LYS   1  20.883  13.196  -6.372
    6    HB3  LYS   1           HB1      LYS   1  20.668  11.705  -7.321
    7    HG2  LYS   1           HG2      LYS   1  18.485  12.383  -8.066
    8    HG3  LYS   1           HG1      LYS   1  18.431  13.727  -6.901
    9    HD2  LYS   1           HD2      LYS   1  18.951  14.555  -9.172
   10    HD3  LYS   1           HD1      LYS   1  20.321  14.823  -8.069
   11    HE2  LYS   1           HE2      LYS   1  20.193  12.292  -9.742
   12    HE3  LYS   1           HE1      LYS   1  20.786  13.811 -10.453
   13    HZ1  LYS   1           HZ1      LYS   1  22.015  13.618  -7.994
   14    HZ2  LYS   1           HZ2      LYS   1  22.725  13.356  -9.515
   15    HZ3  LYS   1           HZ3      LYS   1  22.089  12.050  -8.636
   16    H    LYS   2           HN       LYS   2  19.148  10.312  -3.444
   17    HA   LYS   2           HA       LYS   2  20.486   8.946  -2.125
   18    HB2  LYS   2           HB2      LYS   2  22.127   8.535  -4.653
   19    HB3  LYS   2           HB1      LYS   2  21.979   7.433  -3.263
   20    HG2  LYS   2           HG2      LYS   2  19.518   7.245  -3.736
   21    HG3  LYS   2           HG1      LYS   2  19.764   8.224  -5.202
   22    HD2  LYS   2           HD2      LYS   2  21.314   6.552  -6.105
   23    HD3  LYS   2           HD1      LYS   2  21.187   5.592  -4.610
   24    HE2  LYS   2           HE2      LYS   2  18.750   5.303  -5.017
   25    HE3  LYS   2           HE1      LYS   2  18.903   6.225  -6.532
   26    HZ1  LYS   2           HZ1      LYS   2  20.853   4.170  -6.423
   27    HZ2  LYS   2           HZ2      LYS   2  19.620   4.416  -7.565
   28    HZ3  LYS   2           HZ3      LYS   2  19.314   3.508  -6.162
   29    H    LEU   3           HN       LEU   3  21.024  11.549  -1.732
   30    HA   LEU   3           HA       LEU   3  23.816  12.218  -2.122
   31    HB2  LEU   3           HB2      LEU   3  21.612  13.251  -0.301
   32    HB3  LEU   3           HB1      LEU   3  23.273  13.877  -0.193
   33    HG   LEU   3           HG       LEU   3  23.213  14.547  -2.554
   34   HD11  LEU   3          HD11      LEU   3  21.843  12.912  -3.613
   35   HD12  LEU   3          HD12      LEU   3  20.886  14.407  -3.706
   36   HD13  LEU   3          HD13      LEU   3  20.496  13.176  -2.479
   37   HD21  LEU   3          HD21      LEU   3  22.306  16.071  -0.770
   38   HD22  LEU   3          HD22      LEU   3  20.676  15.444  -1.115
   39   HD23  LEU   3          HD23      LEU   3  21.566  16.345  -2.365
   40    H    LEU   4           HN       LEU   4  22.458   9.745  -0.460
   41    HA   LEU   4           HA       LEU   4  23.547   9.781   2.122
   42    HB2  LEU   4           HB2      LEU   4  23.555   7.323   0.338
   43    HB3  LEU   4           HB1      LEU   4  23.363   7.391   2.103
   44    HG   LEU   4           HG       LEU   4  21.392   8.381  -0.001
   45   HD11  LEU   4          HD11      LEU   4  21.214   6.239   2.164
   46   HD12  LEU   4          HD12      LEU   4  21.427   5.936   0.423
   47   HD13  LEU   4          HD13      LEU   4  19.922   6.676   1.020
   48   HD21  LEU   4          HD21      LEU   4  21.491   8.760   3.020
   49   HD22  LEU   4          HD22      LEU   4  19.955   8.808   2.121
   50   HD23  LEU   4          HD23      LEU   4  21.234   9.990   1.760
   51    HA   PRO   5           HA       PRO   5  28.002   9.809   1.925
   52    HB2  PRO   5           HB2      PRO   5  27.869   7.190   3.450
   53    HB3  PRO   5           HB1      PRO   5  28.904   8.624   3.741
   54    HG2  PRO   5           HG2      PRO   5  26.733   8.175   5.227
   55    HG3  PRO   5           HG1      PRO   5  27.174   9.834   4.714
   56    HD2  PRO   5           HD2      PRO   5  24.955   8.069   3.706
   57    HD3  PRO   5           HD1      PRO   5  25.052   9.860   3.792
   58    H    ILE   6           HN       ILE   6  27.926   9.403  -0.407
   59    HA   ILE   6           HA       ILE   6  29.151   6.771  -1.072
   60    HB   ILE   6           HB       ILE   6  26.726   7.826  -2.614
   61   HG12  ILE   6          HG12      ILE   6  27.045   5.483  -0.677
   62   HG13  ILE   6          HG11      ILE   6  25.995   6.899  -0.470
   63   HG21  ILE   6          HG21      ILE   6  28.565   6.549  -3.894
   64   HG22  ILE   6          HG22      ILE   6  26.945   5.835  -3.962
   65   HG23  ILE   6          HG23      ILE   6  28.171   5.150  -2.870
   66   HD11  ILE   6           HD1      ILE   6  24.509   5.231  -1.238
   67   HD12  ILE   6           HD2      ILE   6  25.688   4.587  -2.404
   68   HD13  ILE   6           HD3      ILE   6  24.890   6.149  -2.714
   69    H    VAL   7           HN       VAL   7  27.894   9.869  -2.415
   70    HA   VAL   7           HA       VAL   7  29.879   9.933  -4.497
   71    HB   VAL   7           HB       VAL   7  28.316  12.246  -3.346
   72   HG11  VAL   7          HG11      VAL   7  30.113  13.015  -4.775
   73   HG12  VAL   7          HG12      VAL   7  28.609  13.120  -5.722
   74   HG13  VAL   7          HG13      VAL   7  29.744  11.777  -6.000
   75   HG21  VAL   7          HG21      VAL   7  26.705  11.771  -5.216
   76   HG22  VAL   7          HG22      VAL   7  26.780  10.453  -4.022
   77   HG23  VAL   7          HG23      VAL   7  27.618  10.288  -5.584
   78    H    ALA   8           HN       ALA   8  29.621  10.962  -1.360
   79    HA   ALA   8           HA       ALA   8  31.973  12.727  -1.348
   80    HB1  ALA   8           HB1      ALA   8  31.581  12.755   1.124
   81    HB2  ALA   8           HB2      ALA   8  30.252  11.595   0.883
   82    HB3  ALA   8           HB3      ALA   8  30.155  13.221   0.167
   83    H    ASN   9           HN       ASN   9  31.172   9.396  -0.409
   84    HA   ASN   9           HA       ASN   9  33.439   8.714   1.086
   85    HB2  ASN   9           HB2      ASN   9  31.497   7.217   0.612
   86    HB3  ASN   9           HB1      ASN   9  32.117   6.985  -1.042
   87   HD21  ASN   9          HD21      ASN   9  32.901   6.452   2.434
   88   HD22  ASN   9          HD22      ASN   9  34.072   5.166   2.125
   89    H    LEU  10           HN       LEU  10  33.164   9.355  -2.357
   90    HA   LEU  10           HA       LEU  10  35.756   8.159  -3.022
   91    HB2  LEU  10           HB2      LEU  10  34.234  10.216  -4.660
   92    HB3  LEU  10           HB1      LEU  10  35.353   8.954  -5.228
   93    HG   LEU  10           HG       LEU  10  32.610   8.511  -3.965
   94   HD11  LEU  10          HD11      LEU  10  32.612   9.325  -6.326
   95   HD12  LEU  10          HD12      LEU  10  32.012   7.655  -6.193
   96   HD13  LEU  10          HD13      LEU  10  33.665   7.963  -6.776
   97   HD21  LEU  10          HD21      LEU  10  33.955   6.665  -3.262
   98   HD22  LEU  10          HD22      LEU  10  34.831   6.603  -4.810
   99   HD23  LEU  10          HD23      LEU  10  33.131   6.081  -4.725
  100    H    LEU  11           HN       LEU  11  34.484  11.465  -2.498
  101    HA   LEU  11           HA       LEU  11  36.955  12.796  -3.089
  102    HB2  LEU  11           HB2      LEU  11  34.896  14.049  -3.078
  103    HB3  LEU  11           HB1      LEU  11  34.544  13.574  -1.403
  104    HG   LEU  11           HG       LEU  11  36.371  14.919  -0.553
  105   HD11  LEU  11          HD11      LEU  11  37.129  15.173  -3.489
  106   HD12  LEU  11          HD12      LEU  11  38.130  14.599  -2.134
  107   HD13  LEU  11          HD13      LEU  11  37.721  16.324  -2.267
  108   HD21  LEU  11          HD21      LEU  11  34.250  16.096  -1.148
  109   HD22  LEU  11          HD22      LEU  11  34.932  16.473  -2.749
  110   HD23  LEU  11          HD23      LEU  11  35.670  17.159  -1.281
  111    H    LYS  12           HN       LYS  12  35.412  12.192   0.110
  112    HA   LYS  12           HA       LYS  12  37.545  12.995   1.727
  113    HB2  LYS  12           HB2      LYS  12  35.250  12.257   2.481
  114    HB3  LYS  12           HB1      LYS  12  35.788  10.574   2.272
  115    HG2  LYS  12           HG2      LYS  12  37.588  10.901   3.895
  116    HG3  LYS  12           HG1      LYS  12  37.181  12.627   4.044
  117    HD2  LYS  12           HD2      LYS  12  35.031  12.116   5.023
  118    HD3  LYS  12           HD1      LYS  12  35.221  10.382   4.669
  119    HE2  LYS  12           HE2      LYS  12  37.221  10.334   6.180
  120    HE3  LYS  12           HE1      LYS  12  36.913  12.038   6.592
  121    HZ1  LYS  12           HZ1      LYS  12  35.899   9.981   7.950
  122    HZ2  LYS  12           HZ2      LYS  12  34.641  10.234   6.836
  123    HZ3  LYS  12           HZ3      LYS  12  35.145  11.498   7.854
  124    H    SER  13           HN       SER  13  36.859   9.553   0.927
  125    HA   SER  13           HA       SER  13  39.506   8.717   1.749
  126    HB2  SER  13           HB2      SER  13  37.591   7.224  -0.076
  127    HB3  SER  13           HB1      SER  13  38.865   6.541   0.959
  128    HG   SER  13           HG       SER  13  37.566   7.756   2.682
  129    H    LEU  14           HN       LEU  14  41.147   7.747   0.402
  130    HA   LEU  14           HA       LEU  14  41.783   9.423  -1.875
  131    HB2  LEU  14           HB2      LEU  14  43.079   6.757  -1.209
  132    HB3  LEU  14           HB1      LEU  14  43.804   8.170  -2.013
  133    HG   LEU  14           HG       LEU  14  42.883   8.030   0.893
  134   HD11  LEU  14          HD11      LEU  14  45.660   8.275  -0.344
  135   HD12  LEU  14          HD12      LEU  14  44.987   6.795   0.379
  136   HD13  LEU  14          HD13      LEU  14  45.286   8.227   1.394
  137   HD21  LEU  14          HD21      LEU  14  44.133  10.304   0.942
  138   HD22  LEU  14          HD22      LEU  14  42.526  10.285   0.182
  139   HD23  LEU  14          HD23      LEU  14  43.990  10.284  -0.833
  140    H    LEU  15           HN       LEU  15  40.996   5.928  -1.569
  141    HA   LEU  15           HA       LEU  15  40.824   5.585  -4.448
  142    HB2  LEU  15           HB2      LEU  15  41.344   3.779  -2.718
  143    HB3  LEU  15           HB1      LEU  15  39.621   3.817  -2.289
  144    HG   LEU  15           HG       LEU  15  39.227   3.476  -4.891
  145   HD11  LEU  15          HD11      LEU  15  42.098   2.499  -4.526
  146   HD12  LEU  15          HD12      LEU  15  41.523   3.735  -5.670
  147   HD13  LEU  15          HD13      LEU  15  41.051   2.035  -5.886
  148   HD21  LEU  15          HD21      LEU  15  40.326   1.240  -3.128
  149   HD22  LEU  15          HD22      LEU  15  39.319   1.020  -4.580
  150   HD23  LEU  15          HD23      LEU  15  38.644   1.823  -3.142
  Start of MODEL   12
    1    H1   LYS   1           HT1      LYS   1  17.255  13.479  -0.961
    2    H2   LYS   1           HT2      LYS   1  16.041  12.335  -0.641
    3    H3   LYS   1           HT3      LYS   1  15.772  13.571  -1.775
    4    HA   LYS   1           HA       LYS   1  16.886  11.027  -2.132
    5    HB2  LYS   1           HB2      LYS   1  15.166  12.438  -3.497
    6    HB3  LYS   1           HB1      LYS   1  16.592  13.208  -4.227
    7    HG2  LYS   1           HG2      LYS   1  17.440  10.908  -4.837
    8    HG3  LYS   1           HG1      LYS   1  15.903  10.236  -4.241
    9    HD2  LYS   1           HD2      LYS   1  14.676  11.709  -5.853
   10    HD3  LYS   1           HD1      LYS   1  16.241  12.260  -6.497
   11    HE2  LYS   1           HE2      LYS   1  15.437   9.326  -6.385
   12    HE3  LYS   1           HE1      LYS   1  15.133  10.363  -7.798
   13    HZ1  LYS   1           HZ1      LYS   1  17.702  10.889  -7.334
   14    HZ2  LYS   1           HZ2      LYS   1  17.175   9.654  -8.374
   15    HZ3  LYS   1           HZ3      LYS   1  17.641   9.286  -6.783
   16    H    LYS   2           HN       LYS   2  18.742  10.507  -3.480
   17    HA   LYS   2           HA       LYS   2  21.040  10.587  -3.810
   18    HB2  LYS   2           HB2      LYS   2  20.684  13.587  -4.137
   19    HB3  LYS   2           HB1      LYS   2  21.903  12.534  -4.895
   20    HG2  LYS   2           HG2      LYS   2  19.932  11.291  -5.996
   21    HG3  LYS   2           HG1      LYS   2  18.915  12.650  -5.457
   22    HD2  LYS   2           HD2      LYS   2  20.522  14.215  -6.638
   23    HD3  LYS   2           HD1      LYS   2  21.325  12.778  -7.316
   24    HE2  LYS   2           HE2      LYS   2  19.737  13.509  -8.969
   25    HE3  LYS   2           HE1      LYS   2  19.035  12.065  -8.204
   26    HZ1  LYS   2           HZ1      LYS   2  17.624  13.404  -6.883
   27    HZ2  LYS   2           HZ2      LYS   2  17.502  14.016  -8.463
   28    HZ3  LYS   2           HZ3      LYS   2  18.436  14.834  -7.302
   29    H    LEU   3           HN       LEU   3  22.943  12.578  -3.288
   30    HA   LEU   3           HA       LEU   3  24.315  13.247  -1.545
   31    HB2  LEU   3           HB2      LEU   3  21.821  13.517   0.172
   32    HB3  LEU   3           HB1      LEU   3  23.340  14.437   0.274
   33    HG   LEU   3           HG       LEU   3  21.278  14.561  -1.971
   34   HD11  LEU   3          HD11      LEU   3  20.988  16.877  -1.214
   35   HD12  LEU   3          HD12      LEU   3  22.258  16.661   0.014
   36   HD13  LEU   3          HD13      LEU   3  20.724  15.768   0.152
   37   HD21  LEU   3          HD21      LEU   3  24.066  15.758  -1.682
   38   HD22  LEU   3          HD22      LEU   3  22.837  16.479  -2.751
   39   HD23  LEU   3          HD23      LEU   3  23.404  14.818  -3.042
   40    H    LEU   4           HN       LEU   4  22.703  10.440  -1.683
   41    HA   LEU   4           HA       LEU   4  22.729   9.278   0.874
   42    HB2  LEU   4           HB2      LEU   4  23.059   8.316  -1.944
   43    HB3  LEU   4           HB1      LEU   4  23.643   7.190  -0.703
   44    HG   LEU   4           HG       LEU   4  21.418   7.352   0.443
   45   HD11  LEU   4          HD11      LEU   4  20.812   9.110  -1.968
   46   HD12  LEU   4          HD12      LEU   4  20.657   9.530  -0.246
   47   HD13  LEU   4          HD13      LEU   4  19.542   8.352  -0.979
   48   HD21  LEU   4          HD21      LEU   4  21.939   5.580  -1.262
   49   HD22  LEU   4          HD22      LEU   4  21.223   6.623  -2.515
   50   HD23  LEU   4          HD23      LEU   4  20.208   5.991  -1.195
   51    HA   PRO   5           HA       PRO   5  26.919   9.148   2.239
   52    HB2  PRO   5           HB2      PRO   5  27.119   6.667   3.454
   53    HB3  PRO   5           HB1      PRO   5  26.217   8.044   4.165
   54    HG2  PRO   5           HG2      PRO   5  25.175   5.706   2.579
   55    HG3  PRO   5           HG1      PRO   5  24.525   6.444   4.077
   56    HD2  PRO   5           HD2      PRO   5  23.464   7.010   1.630
   57    HD3  PRO   5           HD1      PRO   5  23.553   8.249   2.926
   58    H    ILE   6           HN       ILE   6  27.621   9.160  -0.051
   59    HA   ILE   6           HA       ILE   6  29.347   6.822  -0.579
   60    HB   ILE   6           HB       ILE   6  28.457   6.892  -3.083
   61   HG12  ILE   6          HG12      ILE   6  25.998   7.809  -1.522
   62   HG13  ILE   6          HG11      ILE   6  26.913   8.811  -2.670
   63   HG21  ILE   6          HG21      ILE   6  28.296   4.947  -1.443
   64   HG22  ILE   6          HG22      ILE   6  26.988   5.024  -2.639
   65   HG23  ILE   6          HG23      ILE   6  26.699   5.570  -0.971
   66   HD11  ILE   6           HD1      ILE   6  25.152   7.989  -4.002
   67   HD12  ILE   6           HD2      ILE   6  25.172   6.392  -3.223
   68   HD13  ILE   6           HD3      ILE   6  26.463   6.842  -4.364
   69    H    VAL   7           HN       VAL   7  28.027   9.908  -1.809
   70    HA   VAL   7           HA       VAL   7  30.102  10.630  -3.511
   71    HB   VAL   7           HB       VAL   7  28.718  12.519  -1.602
   72   HG11  VAL   7          HG11      VAL   7  29.035  14.125  -3.532
   73   HG12  VAL   7          HG12      VAL   7  30.010  12.878  -4.345
   74   HG13  VAL   7          HG13      VAL   7  30.560  13.574  -2.801
   75   HG21  VAL   7          HG21      VAL   7  27.067  12.791  -3.511
   76   HG22  VAL   7          HG22      VAL   7  27.015  11.196  -2.725
   77   HG23  VAL   7          HG23      VAL   7  27.832  11.387  -4.294
   78    H    ALA   8           HN       ALA   8  29.934  10.552  -0.204
   79    HA   ALA   8           HA       ALA   8  32.144  12.185   0.558
   80    HB1  ALA   8           HB1      ALA   8  32.107  10.967   2.668
   81    HB2  ALA   8           HB2      ALA   8  31.145   9.664   1.927
   82    HB3  ALA   8           HB3      ALA   8  30.441  11.287   2.130
   83    H    ASN   9           HN       ASN   9  31.952   8.750  -0.380
   84    HA   ASN   9           HA       ASN   9  34.712   8.163   0.212
   85    HB2  ASN   9           HB2      ASN   9  33.006   6.406  -0.072
   86    HB3  ASN   9           HB1      ASN   9  32.813   6.861  -1.782
   87   HD21  ASN   9          HD21      ASN   9  35.358   5.790   0.578
   88   HD22  ASN   9          HD22      ASN   9  36.298   4.909  -0.630
   89    H    LEU  10           HN       LEU  10  33.026   9.586  -2.537
   90    HA   LEU  10           HA       LEU  10  35.287   9.323  -4.366
   91    HB2  LEU  10           HB2      LEU  10  32.668  10.857  -4.380
   92    HB3  LEU  10           HB1      LEU  10  33.892  11.141  -5.639
   93    HG   LEU  10           HG       LEU  10  33.883   8.708  -6.180
   94   HD11  LEU  10          HD11      LEU  10  31.869   7.400  -5.219
   95   HD12  LEU  10          HD12      LEU  10  31.785   8.670  -3.974
   96   HD13  LEU  10          HD13      LEU  10  33.246   7.664  -4.127
   97   HD21  LEU  10          HD21      LEU  10  31.113   9.991  -6.180
   98   HD22  LEU  10          HD22      LEU  10  31.661   8.682  -7.254
   99   HD23  LEU  10          HD23      LEU  10  32.391  10.302  -7.379
  100    H    LEU  11           HN       LEU  11  34.141  11.731  -2.029
  101    HA   LEU  11           HA       LEU  11  35.592  13.978  -2.893
  102    HB2  LEU  11           HB2      LEU  11  34.027  14.126  -1.046
  103    HB3  LEU  11           HB1      LEU  11  34.989  12.991  -0.077
  104    HG   LEU  11           HG       LEU  11  36.811  14.596   0.118
  105   HD11  LEU  11          HD11      LEU  11  35.187  16.164  -1.923
  106   HD12  LEU  11          HD12      LEU  11  36.905  15.700  -1.987
  107   HD13  LEU  11          HD13      LEU  11  36.370  16.971  -0.867
  108   HD21  LEU  11          HD21      LEU  11  35.640  16.414   1.329
  109   HD22  LEU  11          HD22      LEU  11  34.909  14.830   1.685
  110   HD23  LEU  11          HD23      LEU  11  34.109  15.947   0.552
  111    H    LYS  12           HN       LYS  12  36.661  11.335  -0.711
  112    HA   LYS  12           HA       LYS  12  39.362  11.431  -1.740
  113    HB2  LYS  12           HB2      LYS  12  39.345  13.533  -0.363
  114    HB3  LYS  12           HB1      LYS  12  38.995  12.537   1.071
  115    HG2  LYS  12           HG2      LYS  12  41.074  11.283   0.759
  116    HG3  LYS  12           HG1      LYS  12  41.409  12.159  -0.754
  117    HD2  LYS  12           HD2      LYS  12  41.491  14.297   0.518
  118    HD3  LYS  12           HD1      LYS  12  41.208  13.396   2.027
  119    HE2  LYS  12           HE2      LYS  12  43.614  13.818   1.742
  120    HE3  LYS  12           HE1      LYS  12  43.282  12.076   1.604
  121    HZ1  LYS  12           HZ1      LYS  12  43.913  12.063  -0.524
  122    HZ2  LYS  12           HZ2      LYS  12  44.641  13.564  -0.208
  123    HZ3  LYS  12           HZ3      LYS  12  43.089  13.497  -0.897
  124    H    SER  13           HN       SER  13  38.128  10.977   1.597
  125    HA   SER  13           HA       SER  13  37.910   8.106   1.348
  126    HB2  SER  13           HB2      SER  13  40.274   7.962   1.268
  127    HB3  SER  13           HB1      SER  13  40.480   9.264   2.460
  128    HG   SER  13           HG       SER  13  40.158   6.601   2.838
  129    H    LEU  14           HN       LEU  14  37.465   7.057   3.425
  130    HA   LEU  14           HA       LEU  14  35.737   8.679   5.045
  131    HB2  LEU  14           HB2      LEU  14  36.919   5.898   5.336
  132    HB3  LEU  14           HB1      LEU  14  35.907   6.602   6.619
  133    HG   LEU  14           HG       LEU  14  34.081   6.961   4.973
  134   HD11  LEU  14          HD11      LEU  14  36.121   5.728   3.080
  135   HD12  LEU  14          HD12      LEU  14  35.203   7.243   2.889
  136   HD13  LEU  14          HD13      LEU  14  34.374   5.679   2.737
  137   HD21  LEU  14          HD21      LEU  14  35.114   4.095   4.866
  138   HD22  LEU  14          HD22      LEU  14  33.419   4.636   4.794
  139   HD23  LEU  14          HD23      LEU  14  34.347   4.812   6.303
  140    H    LEU  15           HN       LEU  15  36.000   8.601   7.555
  141    HA   LEU  15           HA       LEU  15  38.338  10.220   8.146
  142    HB2  LEU  15           HB2      LEU  15  36.519   8.945  10.216
  143    HB3  LEU  15           HB1      LEU  15  37.392  10.495  10.303
  144    HG   LEU  15           HG       LEU  15  35.027   9.829   8.494
  145   HD11  LEU  15          HD11      LEU  15  33.926  11.632   9.813
  146   HD12  LEU  15          HD12      LEU  15  35.389  11.776  10.816
  147   HD13  LEU  15          HD13      LEU  15  34.433  10.275  10.845
  148   HD21  LEU  15          HD21      LEU  15  35.232  12.347   7.957
  149   HD22  LEU  15          HD22      LEU  15  36.446  11.281   7.216
  150   HD23  LEU  15          HD23      LEU  15  36.870  12.251   8.646
  Start of MODEL   13
    1    H1   LYS   1           HT1      LYS   1  16.349   8.195   1.427
    2    H2   LYS   1           HT2      LYS   1  15.649   9.053   2.716
    3    H3   LYS   1           HT3      LYS   1  17.178   8.334   2.898
    4    HA   LYS   1           HA       LYS   1  16.506  10.540   1.059
    5    HB2  LYS   1           HB2      LYS   1  18.045  11.826   2.609
    6    HB3  LYS   1           HB1      LYS   1  16.484  11.359   3.324
    7    HG2  LYS   1           HG2      LYS   1  17.541   9.407   4.401
    8    HG3  LYS   1           HG1      LYS   1  19.103   9.833   3.662
    9    HD2  LYS   1           HD2      LYS   1  18.995  12.054   4.840
   10    HD3  LYS   1           HD1      LYS   1  17.521  11.494   5.669
   11    HE2  LYS   1           HE2      LYS   1  20.206  10.054   5.775
   12    HE3  LYS   1           HE1      LYS   1  19.611  11.166   7.032
   13    HZ1  LYS   1           HZ1      LYS   1  19.004   9.022   7.729
   14    HZ2  LYS   1           HZ2      LYS   1  18.458   8.564   6.186
   15    HZ3  LYS   1           HZ3      LYS   1  17.576   9.691   7.104
   16    H    LYS   2           HN       LYS   2  18.093  11.162  -0.333
   17    HA   LYS   2           HA       LYS   2  20.188   9.183  -0.875
   18    HB2  LYS   2           HB2      LYS   2  19.868  11.924  -2.145
   19    HB3  LYS   2           HB1      LYS   2  20.640  10.473  -2.831
   20    HG2  LYS   2           HG2      LYS   2  18.419   9.307  -2.749
   21    HG3  LYS   2           HG1      LYS   2  17.679  10.830  -2.199
   22    HD2  LYS   2           HD2      LYS   2  18.405  11.959  -4.262
   23    HD3  LYS   2           HD1      LYS   2  19.217  10.471  -4.809
   24    HE2  LYS   2           HE2      LYS   2  16.972   9.297  -4.658
   25    HE3  LYS   2           HE1      LYS   2  16.232  10.889  -4.365
   26    HZ1  LYS   2           HZ1      LYS   2  17.763  10.031  -6.767
   27    HZ2  LYS   2           HZ2      LYS   2  17.288  11.634  -6.472
   28    HZ3  LYS   2           HZ3      LYS   2  16.116  10.423  -6.685
   29    H    LEU   3           HN       LEU   3  22.028  11.315  -1.880
   30    HA   LEU   3           HA       LEU   3  24.006  12.241  -1.108
   31    HB2  LEU   3           HB2      LEU   3  22.029  13.142   1.017
   32    HB3  LEU   3           HB1      LEU   3  23.752  13.559   1.143
   33    HG   LEU   3           HG       LEU   3  23.651  14.589  -1.126
   34   HD11  LEU   3          HD11      LEU   3  20.733  13.748  -0.896
   35   HD12  LEU   3          HD12      LEU   3  21.883  13.391  -2.209
   36   HD13  LEU   3          HD13      LEU   3  21.263  15.043  -1.995
   37   HD21  LEU   3          HD21      LEU   3  22.460  16.587  -0.437
   38   HD22  LEU   3          HD22      LEU   3  23.197  15.873   1.018
   39   HD23  LEU   3          HD23      LEU   3  21.458  15.658   0.704
   40    H    LEU   4           HN       LEU   4  22.710   9.538   0.032
   41    HA   LEU   4           HA       LEU   4  23.835   8.980   2.538
   42    HB2  LEU   4           HB2      LEU   4  23.685   7.132   0.126
   43    HB3  LEU   4           HB1      LEU   4  23.840   6.611   1.814
   44    HG   LEU   4           HG       LEU   4  21.527   8.381   0.915
   45   HD11  LEU   4          HD11      LEU   4  21.637   5.333   0.916
   46   HD12  LEU   4          HD12      LEU   4  21.507   6.375  -0.521
   47   HD13  LEU   4          HD13      LEU   4  20.176   6.316   0.659
   48   HD21  LEU   4          HD21      LEU   4  22.005   6.465   3.247
   49   HD22  LEU   4          HD22      LEU   4  20.420   7.176   2.869
   50   HD23  LEU   4          HD23      LEU   4  21.776   8.227   3.325
   51    HA   PRO   5           HA       PRO   5  28.288   9.098   2.332
   52    HB2  PRO   5           HB2      PRO   5  28.175   6.176   3.143
   53    HB3  PRO   5           HB1      PRO   5  29.218   7.492   3.775
   54    HG2  PRO   5           HG2      PRO   5  27.067   6.691   5.129
   55    HG3  PRO   5           HG1      PRO   5  27.496   8.428   5.027
   56    HD2  PRO   5           HD2      PRO   5  25.273   6.942   3.643
   57    HD3  PRO   5           HD1      PRO   5  25.359   8.656   4.164
   58    H    ILE   6           HN       ILE   6  28.097   9.275  -0.051
   59    HA   ILE   6           HA       ILE   6  29.485   6.998  -1.357
   60    HB   ILE   6           HB       ILE   6  26.938   8.126  -2.611
   61   HG12  ILE   6          HG12      ILE   6  27.398   5.514  -1.093
   62   HG13  ILE   6          HG11      ILE   6  26.275   6.817  -0.652
   63   HG21  ILE   6          HG21      ILE   6  27.262   6.427  -4.279
   64   HG22  ILE   6          HG22      ILE   6  28.510   5.610  -3.311
   65   HG23  ILE   6          HG23      ILE   6  28.853   7.184  -4.062
   66   HD11  ILE   6           HD1      ILE   6  25.192   6.402  -2.988
   67   HD12  ILE   6           HD2      ILE   6  24.881   5.216  -1.697
   68   HD13  ILE   6           HD3      ILE   6  26.083   4.861  -2.959
   69    H    VAL   7           HN       VAL   7  27.802  10.121  -1.974
   70    HA   VAL   7           HA       VAL   7  29.441  10.938  -4.106
   71    HB   VAL   7           HB       VAL   7  28.202  12.716  -2.000
   72   HG11  VAL   7          HG11      VAL   7  29.729  13.983  -3.378
   73   HG12  VAL   7          HG12      VAL   7  28.092  14.325  -3.984
   74   HG13  VAL   7          HG13      VAL   7  29.147  13.190  -4.860
   75   HG21  VAL   7          HG21      VAL   7  26.213  12.766  -3.399
   76   HG22  VAL   7          HG22      VAL   7  26.620  11.059  -3.095
   77   HG23  VAL   7          HG23      VAL   7  27.018  11.805  -4.662
   78    H    ALA   8           HN       ALA   8  29.857  10.934  -0.821
   79    HA   ALA   8           HA       ALA   8  32.176  12.705  -0.686
   80    HB1  ALA   8           HB1      ALA   8  30.702  12.392   1.249
   81    HB2  ALA   8           HB2      ALA   8  32.365  11.891   1.637
   82    HB3  ALA   8           HB3      ALA   8  31.120  10.664   1.303
   83    H    ASN   9           HN       ASN   9  31.624   9.185  -0.791
   84    HA   ASN   9           HA       ASN   9  34.231   8.281  -0.273
   85    HB2  ASN   9           HB2      ASN   9  32.198   6.850  -0.646
   86    HB3  ASN   9           HB1      ASN   9  32.356   7.159  -2.392
   87   HD21  ASN   9          HD21      ASN   9  33.135   4.903  -0.041
   88   HD22  ASN   9          HD22      ASN   9  34.567   4.202  -0.801
   89    H    LEU  10           HN       LEU  10  32.937   9.902  -3.108
   90    HA   LEU  10           HA       LEU  10  35.016   9.176  -4.946
   91    HB2  LEU  10           HB2      LEU  10  32.765  10.280  -5.465
   92    HB3  LEU  10           HB1      LEU  10  33.488  11.802  -4.900
   93    HG   LEU  10           HG       LEU  10  35.437  11.189  -6.614
   94   HD11  LEU  10          HD11      LEU  10  34.503  10.030  -8.641
   95   HD12  LEU  10          HD12      LEU  10  33.061   9.600  -7.694
   96   HD13  LEU  10          HD13      LEU  10  34.654   8.952  -7.236
   97   HD21  LEU  10          HD21      LEU  10  34.215  12.403  -8.403
   98   HD22  LEU  10          HD22      LEU  10  33.952  13.155  -6.811
   99   HD23  LEU  10          HD23      LEU  10  32.685  12.136  -7.536
  100    H    LEU  11           HN       LEU  11  34.715  11.713  -2.486
  101    HA   LEU  11           HA       LEU  11  37.063  13.178  -3.330
  102    HB2  LEU  11           HB2      LEU  11  35.906  13.080  -0.521
  103    HB3  LEU  11           HB1      LEU  11  36.830  14.395  -1.280
  104    HG   LEU  11           HG       LEU  11  34.079  13.427  -2.189
  105   HD11  LEU  11          HD11      LEU  11  34.061  14.573   0.022
  106   HD12  LEU  11          HD12      LEU  11  33.265  15.548  -1.237
  107   HD13  LEU  11          HD13      LEU  11  34.913  15.958  -0.702
  108   HD21  LEU  11          HD21      LEU  11  35.181  14.351  -4.096
  109   HD22  LEU  11          HD22      LEU  11  35.976  15.618  -3.131
  110   HD23  LEU  11          HD23      LEU  11  34.226  15.701  -3.446
  111    H    LYS  12           HN       LYS  12  36.730  11.536  -0.161
  112    HA   LYS  12           HA       LYS  12  38.866   9.679  -0.542
  113    HB2  LYS  12           HB2      LYS  12  40.578  10.896   0.939
  114    HB3  LYS  12           HB1      LYS  12  40.419  11.486  -0.731
  115    HG2  LYS  12           HG2      LYS  12  38.928  13.294   0.021
  116    HG3  LYS  12           HG1      LYS  12  39.014  12.689   1.693
  117    HD2  LYS  12           HD2      LYS  12  41.432  13.109   1.757
  118    HD3  LYS  12           HD1      LYS  12  41.409  13.628   0.054
  119    HE2  LYS  12           HE2      LYS  12  41.381  15.613   1.470
  120    HE3  LYS  12           HE1      LYS  12  39.789  15.448   0.693
  121    HZ1  LYS  12           HZ1      LYS  12  38.885  15.405   2.701
  122    HZ2  LYS  12           HZ2      LYS  12  40.411  15.485   3.442
  123    HZ3  LYS  12           HZ3      LYS  12  39.726  13.978   3.064
  124    H    SER  13           HN       SER  13  36.206  10.213   0.761
  125    HA   SER  13           HA       SER  13  35.127   9.649   2.737
  126    HB2  SER  13           HB2      SER  13  37.663   8.051   3.266
  127    HB3  SER  13           HB1      SER  13  36.074   7.799   4.022
  128    HG   SER  13           HG       SER  13  35.475   6.757   2.297
  129    H    LEU  14           HN       LEU  14  35.347  11.904   3.403
  130    HA   LEU  14           HA       LEU  14  35.937  13.543   4.939
  131    HB2  LEU  14           HB2      LEU  14  36.237  10.978   6.536
  132    HB3  LEU  14           HB1      LEU  14  36.566  12.559   7.282
  133    HG   LEU  14           HG       LEU  14  34.285  13.323   6.627
  134   HD11  LEU  14          HD11      LEU  14  34.130  10.491   5.523
  135   HD12  LEU  14          HD12      LEU  14  33.769  12.023   4.693
  136   HD13  LEU  14          HD13      LEU  14  32.670  11.416   5.951
  137   HD21  LEU  14          HD21      LEU  14  34.311  10.685   8.165
  138   HD22  LEU  14          HD22      LEU  14  33.069  11.955   8.278
  139   HD23  LEU  14          HD23      LEU  14  34.725  12.275   8.850
  140    H    LEU  15           HN       LEU  15  37.795  13.979   6.780
  141    HA   LEU  15           HA       LEU  15  40.197  14.314   5.220
  142    HB2  LEU  15           HB2      LEU  15  39.486  14.698   8.148
  143    HB3  LEU  15           HB1      LEU  15  41.150  14.945   7.568
  144    HG   LEU  15           HG       LEU  15  40.415  16.660   6.004
  145   HD11  LEU  15          HD11      LEU  15  37.631  15.799   6.889
  146   HD12  LEU  15          HD12      LEU  15  38.293  15.868   5.237
  147   HD13  LEU  15          HD13      LEU  15  37.933  17.372   6.113
  148   HD21  LEU  15          HD21      LEU  15  39.631  18.350   7.590
  149   HD22  LEU  15          HD22      LEU  15  40.785  17.274   8.415
  150   HD23  LEU  15          HD23      LEU  15  39.038  17.086   8.693
  Start of MODEL   14
    1    H1   LYS   1           HT1      LYS   1  18.264  11.292  -7.145
    2    H2   LYS   1           HT2      LYS   1  18.458  12.923  -7.579
    3    H3   LYS   1           HT3      LYS   1  17.079  12.426  -6.719
    4    HA   LYS   1           HA       LYS   1  19.422  13.410  -5.706
    5    HB2  LYS   1           HB2      LYS   1  17.099  11.938  -4.399
    6    HB3  LYS   1           HB1      LYS   1  18.305  12.919  -3.530
    7    HG2  LYS   1           HG2      LYS   1  17.653  14.913  -4.785
    8    HG3  LYS   1           HG1      LYS   1  16.530  13.958  -5.783
    9    HD2  LYS   1           HD2      LYS   1  15.255  13.357  -3.716
   10    HD3  LYS   1           HD1      LYS   1  16.339  14.408  -2.772
   11    HE2  LYS   1           HE2      LYS   1  15.662  16.352  -4.141
   12    HE3  LYS   1           HE1      LYS   1  14.591  15.308  -5.106
   13    HZ1  LYS   1           HZ1      LYS   1  13.569  16.603  -3.180
   14    HZ2  LYS   1           HZ2      LYS   1  14.341  15.488  -2.158
   15    HZ3  LYS   1           HZ3      LYS   1  13.194  14.953  -3.292
   16    H    LYS   2           HN       LYS   2  21.063  12.599  -4.431
   17    HA   LYS   2           HA       LYS   2  21.195   9.804  -3.671
   18    HB2  LYS   2           HB2      LYS   2  21.642   9.849  -6.244
   19    HB3  LYS   2           HB1      LYS   2  23.205  10.579  -5.815
   20    HG2  LYS   2           HG2      LYS   2  23.640   8.624  -4.287
   21    HG3  LYS   2           HG1      LYS   2  22.127   7.885  -4.864
   22    HD2  LYS   2           HD2      LYS   2  23.052   8.089  -7.229
   23    HD3  LYS   2           HD1      LYS   2  24.610   8.547  -6.500
   24    HE2  LYS   2           HE2      LYS   2  23.091   5.963  -5.932
   25    HE3  LYS   2           HE1      LYS   2  24.510   6.111  -6.995
   26    HZ1  LYS   2           HZ1      LYS   2  24.594   7.032  -4.182
   27    HZ2  LYS   2           HZ2      LYS   2  25.885   6.626  -5.210
   28    HZ3  LYS   2           HZ3      LYS   2  24.882   5.408  -4.579
   29    H    LEU   3           HN       LEU   3  21.409  12.228  -2.314
   30    HA   LEU   3           HA       LEU   3  24.214  12.925  -1.940
   31    HB2  LEU   3           HB2      LEU   3  21.964  13.384   0.056
   32    HB3  LEU   3           HB1      LEU   3  23.443  14.343  -0.182
   33    HG   LEU   3           HG       LEU   3  21.163  14.067  -2.193
   34   HD11  LEU   3          HD11      LEU   3  20.660  15.418  -0.126
   35   HD12  LEU   3          HD12      LEU   3  20.645  16.378  -1.624
   36   HD13  LEU   3          HD13      LEU   3  22.044  16.463  -0.526
   37   HD21  LEU   3          HD21      LEU   3  23.823  15.553  -2.220
   38   HD22  LEU   3          HD22      LEU   3  22.461  16.037  -3.259
   39   HD23  LEU   3          HD23      LEU   3  23.182  14.421  -3.434
   40    H    LEU   4           HN       LEU   4  22.725  10.102  -1.463
   41    HA   LEU   4           HA       LEU   4  23.118   9.301   1.191
   42    HB2  LEU   4           HB2      LEU   4  23.816   7.695  -1.305
   43    HB3  LEU   4           HB1      LEU   4  23.440   7.023   0.294
   44    HG   LEU   4           HG       LEU   4  21.501   8.778  -1.277
   45   HD11  LEU   4          HD11      LEU   4  20.369   6.690  -1.936
   46   HD12  LEU   4          HD12      LEU   4  21.625   5.735  -1.112
   47   HD13  LEU   4          HD13      LEU   4  22.042   6.707  -2.543
   48   HD21  LEU   4          HD21      LEU   4  21.295   7.025   1.210
   49   HD22  LEU   4          HD22      LEU   4  19.858   7.490   0.271
   50   HD23  LEU   4          HD23      LEU   4  20.865   8.741   1.029
   51    HA   PRO   5           HA       PRO   5  27.467   9.731   1.949
   52    HB2  PRO   5           HB2      PRO   5  27.964   7.599   3.677
   53    HB3  PRO   5           HB1      PRO   5  27.173   9.129   4.171
   54    HG2  PRO   5           HG2      PRO   5  25.921   6.493   3.430
   55    HG3  PRO   5           HG1      PRO   5  25.515   7.611   4.772
   56    HD2  PRO   5           HD2      PRO   5  24.040   7.551   2.494
   57    HD3  PRO   5           HD1      PRO   5  24.343   9.089   3.364
   58    H    ILE   6           HN       ILE   6  27.715   9.158  -0.388
   59    HA   ILE   6           HA       ILE   6  29.485   6.777  -0.617
   60    HB   ILE   6           HB       ILE   6  27.261   7.224  -2.659
   61   HG12  ILE   6          HG12      ILE   6  27.372   5.317  -0.275
   62   HG13  ILE   6          HG11      ILE   6  26.173   6.600  -0.565
   63   HG21  ILE   6          HG21      ILE   6  27.968   5.108  -3.542
   64   HG22  ILE   6          HG22      ILE   6  28.963   4.757  -2.108
   65   HG23  ILE   6          HG23      ILE   6  29.462   6.026  -3.251
   66   HD11  ILE   6           HD1      ILE   6  25.070   4.616  -1.259
   67   HD12  ILE   6           HD2      ILE   6  26.529   3.975  -2.047
   68   HD13  ILE   6           HD3      ILE   6  25.647   5.337  -2.780
   69    H    VAL   7           HN       VAL   7  27.956   9.617  -2.192
   70    HA   VAL   7           HA       VAL   7  30.041   9.861  -4.169
   71    HB   VAL   7           HB       VAL   7  28.166  12.010  -3.172
   72   HG11  VAL   7          HG11      VAL   7  29.972  12.894  -4.552
   73   HG12  VAL   7          HG12      VAL   7  28.484  12.874  -5.528
   74   HG13  VAL   7          HG13      VAL   7  29.724  11.619  -5.768
   75   HG21  VAL   7          HG21      VAL   7  26.939   9.956  -3.874
   76   HG22  VAL   7          HG22      VAL   7  27.782  10.001  -5.441
   77   HG23  VAL   7          HG23      VAL   7  26.657  11.307  -4.998
   78    H    ALA   8           HN       ALA   8  29.470  10.906  -1.078
   79    HA   ALA   8           HA       ALA   8  31.611  12.920  -0.961
   80    HB1  ALA   8           HB1      ALA   8  30.121  11.644   1.352
   81    HB2  ALA   8           HB2      ALA   8  29.476  13.000   0.394
   82    HB3  ALA   8           HB3      ALA   8  30.976  13.204   1.331
   83    H    ASN   9           HN       ASN   9  31.188   9.504  -0.278
   84    HA   ASN   9           HA       ASN   9  33.465   9.165   1.438
   85    HB2  ASN   9           HB2      ASN   9  32.049   7.258  -0.461
   86    HB3  ASN   9           HB1      ASN   9  33.328   6.762   0.675
   87   HD21  ASN   9          HD21      ASN   9  31.108   9.379   1.570
   88   HD22  ASN   9          HD22      ASN   9  30.207   8.440   2.764
   89    H    LEU  10           HN       LEU  10  33.048   9.082  -2.102
   90    HA   LEU  10           HA       LEU  10  35.728   8.193  -2.663
   91    HB2  LEU  10           HB2      LEU  10  33.716   8.167  -4.236
   92    HB3  LEU  10           HB1      LEU  10  33.965   9.913  -4.440
   93    HG   LEU  10           HG       LEU  10  36.453   9.253  -5.033
   94   HD11  LEU  10          HD11      LEU  10  34.974   6.609  -5.428
   95   HD12  LEU  10          HD12      LEU  10  36.431   6.897  -4.449
   96   HD13  LEU  10          HD13      LEU  10  36.516   7.001  -6.219
   97   HD21  LEU  10          HD21      LEU  10  34.143   8.588  -6.915
   98   HD22  LEU  10          HD22      LEU  10  35.815   8.948  -7.410
   99   HD23  LEU  10          HD23      LEU  10  34.824  10.208  -6.637
  100    H    LEU  11           HN       LEU  11  34.276  11.322  -1.975
  101    HA   LEU  11           HA       LEU  11  36.303  13.008  -3.029
  102    HB2  LEU  11           HB2      LEU  11  34.052  13.695  -2.059
  103    HB3  LEU  11           HB1      LEU  11  34.760  13.454  -0.448
  104    HG   LEU  11           HG       LEU  11  36.659  15.080  -1.282
  105   HD11  LEU  11          HD11      LEU  11  35.716  16.800  -2.910
  106   HD12  LEU  11          HD12      LEU  11  34.425  15.639  -3.288
  107   HD13  LEU  11          HD13      LEU  11  36.120  15.233  -3.640
  108   HD21  LEU  11          HD21      LEU  11  33.828  16.105  -0.781
  109   HD22  LEU  11          HD22      LEU  11  35.327  17.039  -0.565
  110   HD23  LEU  11          HD23      LEU  11  34.998  15.631   0.473
  111    H    LYS  12           HN       LYS  12  35.893  12.171   0.443
  112    HA   LYS  12           HA       LYS  12  38.517  12.989   1.182
  113    HB2  LYS  12           HB2      LYS  12  36.516  12.506   2.705
  114    HB3  LYS  12           HB1      LYS  12  36.912  10.784   2.525
  115    HG2  LYS  12           HG2      LYS  12  38.117  11.297   4.471
  116    HG3  LYS  12           HG1      LYS  12  39.364  11.576   3.235
  117    HD2  LYS  12           HD2      LYS  12  38.868  13.999   3.260
  118    HD3  LYS  12           HD1      LYS  12  37.565  13.733   4.442
  119    HE2  LYS  12           HE2      LYS  12  39.632  14.484   5.570
  120    HE3  LYS  12           HE1      LYS  12  39.216  12.823   6.052
  121    HZ1  LYS  12           HZ1      LYS  12  41.622  13.592   5.126
  122    HZ2  LYS  12           HZ2      LYS  12  40.896  13.018   3.701
  123    HZ3  LYS  12           HZ3      LYS  12  41.033  12.003   5.059
  124    H    SER  13           HN       SER  13  37.306   9.608   0.962
  125    HA   SER  13           HA       SER  13  39.938   8.466   0.991
  126    HB2  SER  13           HB2      SER  13  37.462   7.229  -0.258
  127    HB3  SER  13           HB1      SER  13  38.862   6.394   0.452
  128    HG   SER  13           HG       SER  13  37.648   8.210   2.129
  129    H    LEU  14           HN       LEU  14  41.472   8.565  -0.500
  130    HA   LEU  14           HA       LEU  14  41.110   9.676  -3.088
  131    HB2  LEU  14           HB2      LEU  14  43.259   7.640  -2.404
  132    HB3  LEU  14           HB1      LEU  14  43.351   9.009  -3.536
  133    HG   LEU  14           HG       LEU  14  43.178   9.147  -0.494
  134   HD11  LEU  14          HD11      LEU  14  45.401   8.618  -1.549
  135   HD12  LEU  14          HD12      LEU  14  45.383  10.168  -0.672
  136   HD13  LEU  14          HD13      LEU  14  45.290  10.148  -2.450
  137   HD21  LEU  14          HD21      LEU  14  43.459  11.675  -0.973
  138   HD22  LEU  14          HD22      LEU  14  41.849  10.984  -1.272
  139   HD23  LEU  14          HD23      LEU  14  42.947  11.303  -2.636
  140    H    LEU  15           HN       LEU  15  41.316   6.250  -2.051
  141    HA   LEU  15           HA       LEU  15  41.053   5.107  -4.636
  142    HB2  LEU  15           HB2      LEU  15  41.711   3.733  -2.771
  143    HB3  LEU  15           HB1      LEU  15  40.226   4.124  -1.878
  144    HG   LEU  15           HG       LEU  15  38.864   2.856  -3.431
  145   HD11  LEU  15          HD11      LEU  15  39.807   3.340  -5.571
  146   HD12  LEU  15          HD12      LEU  15  40.086   1.598  -5.341
  147   HD13  LEU  15          HD13      LEU  15  41.416   2.754  -5.087
  148   HD21  LEU  15          HD21      LEU  15  41.418   1.272  -2.912
  149   HD22  LEU  15          HD22      LEU  15  39.773   0.619  -3.105
  150   HD23  LEU  15          HD23      LEU  15  40.177   1.605  -1.679
  Start of MODEL   15
    1    H1   LYS   1           HT1      LYS   1  16.705  12.693  -3.821
    2    H2   LYS   1           HT2      LYS   1  16.153  13.144  -2.278
    3    H3   LYS   1           HT3      LYS   1  16.693  11.558  -2.563
    4    HA   LYS   1           HA       LYS   1  18.550  13.701  -3.135
    5    HB2  LYS   1           HB2      LYS   1  19.222  13.712  -0.693
    6    HB3  LYS   1           HB1      LYS   1  17.677  14.524  -1.045
    7    HG2  LYS   1           HG2      LYS   1  16.422  12.549  -0.338
    8    HG3  LYS   1           HG1      LYS   1  17.933  11.635  -0.103
    9    HD2  LYS   1           HD2      LYS   1  18.637  13.264   1.638
   10    HD3  LYS   1           HD1      LYS   1  17.107  14.146   1.420
   11    HE2  LYS   1           HE2      LYS   1  17.244  11.195   2.159
   12    HE3  LYS   1           HE1      LYS   1  17.126  12.501   3.362
   13    HZ1  LYS   1           HZ1      LYS   1  15.182  13.111   1.562
   14    HZ2  LYS   1           HZ2      LYS   1  14.939  12.329   3.051
   15    HZ3  LYS   1           HZ3      LYS   1  15.104  11.418   1.626
   16    H    LYS   2           HN       LYS   2  20.708  12.949  -2.000
   17    HA   LYS   2           HA       LYS   2  21.038  10.107  -1.584
   18    HB2  LYS   2           HB2      LYS   2  22.279   9.547  -3.612
   19    HB3  LYS   2           HB1      LYS   2  20.638  10.084  -4.046
   20    HG2  LYS   2           HG2      LYS   2  21.645  12.434  -4.349
   21    HG3  LYS   2           HG1      LYS   2  23.240  11.652  -4.251
   22    HD2  LYS   2           HD2      LYS   2  21.041  11.055  -6.280
   23    HD3  LYS   2           HD1      LYS   2  22.591  11.865  -6.602
   24    HE2  LYS   2           HE2      LYS   2  23.000   9.638  -7.285
   25    HE3  LYS   2           HE1      LYS   2  23.670   9.673  -5.636
   26    HZ1  LYS   2           HZ1      LYS   2  22.134   8.239  -4.931
   27    HZ2  LYS   2           HZ2      LYS   2  21.796   7.929  -6.566
   28    HZ3  LYS   2           HZ3      LYS   2  20.862   9.055  -5.701
   29    H    LEU   3           HN       LEU   3  21.754  12.779  -0.504
   30    HA   LEU   3           HA       LEU   3  24.597  13.144  -0.928
   31    HB2  LEU   3           HB2      LEU   3  23.056  13.943   1.566
   32    HB3  LEU   3           HB1      LEU   3  24.485  14.725   0.849
   33    HG   LEU   3           HG       LEU   3  21.680  14.615  -0.345
   34   HD11  LEU   3          HD11      LEU   3  23.381  16.942   0.655
   35   HD12  LEU   3          HD12      LEU   3  22.018  16.216   1.540
   36   HD13  LEU   3          HD13      LEU   3  21.733  17.052  -0.005
   37   HD21  LEU   3          HD21      LEU   3  23.176  14.518  -2.207
   38   HD22  LEU   3          HD22      LEU   3  24.343  15.618  -1.434
   39   HD23  LEU   3          HD23      LEU   3  22.789  16.244  -2.034
   40    H    LEU   4           HN       LEU   4  23.002  10.549   0.218
   41    HA   LEU   4           HA       LEU   4  24.321   9.957   2.687
   42    HB2  LEU   4           HB2      LEU   4  23.485   7.899   0.612
   43    HB3  LEU   4           HB1      LEU   4  23.523   7.722   2.381
   44    HG   LEU   4           HG       LEU   4  21.648   9.503   0.765
   45   HD11  LEU   4          HD11      LEU   4  21.143   7.098   2.573
   46   HD12  LEU   4          HD12      LEU   4  21.112   7.072   0.793
   47   HD13  LEU   4          HD13      LEU   4  19.907   8.026   1.691
   48   HD21  LEU   4          HD21      LEU   4  22.103  10.732   2.764
   49   HD22  LEU   4          HD22      LEU   4  22.163   9.256   3.758
   50   HD23  LEU   4          HD23      LEU   4  20.607   9.841   3.120
   51    HA   PRO   5           HA       PRO   5  28.608   9.102   1.849
   52    HB2  PRO   5           HB2      PRO   5  27.905   6.295   2.765
   53    HB3  PRO   5           HB1      PRO   5  29.350   7.285   3.154
   54    HG2  PRO   5           HG2      PRO   5  27.311   7.093   4.875
   55    HG3  PRO   5           HG1      PRO   5  28.188   8.637   4.644
   56    HD2  PRO   5           HD2      PRO   5  25.422   7.897   3.767
   57    HD3  PRO   5           HD1      PRO   5  26.130   9.519   4.063
   58    H    ILE   6           HN       ILE   6  28.151   9.339  -0.474
   59    HA   ILE   6           HA       ILE   6  28.599   6.752  -1.917
   60    HB   ILE   6           HB       ILE   6  26.560   8.876  -2.750
   61   HG12  ILE   6          HG12      ILE   6  25.900   7.107  -0.939
   62   HG13  ILE   6          HG11      ILE   6  24.831   7.318  -2.331
   63   HG21  ILE   6          HG21      ILE   6  27.647   8.097  -4.735
   64   HG22  ILE   6          HG22      ILE   6  26.109   7.214  -4.638
   65   HG23  ILE   6          HG23      ILE   6  27.628   6.409  -4.173
   66   HD11  ILE   6           HD1      ILE   6  25.342   4.898  -1.659
   67   HD12  ILE   6           HD2      ILE   6  26.992   5.168  -2.251
   68   HD13  ILE   6           HD3      ILE   6  25.619   5.299  -3.367
   69    H    VAL   7           HN       VAL   7  27.916  10.102  -2.960
   70    HA   VAL   7           HA       VAL   7  30.246  10.111  -4.668
   71    HB   VAL   7           HB       VAL   7  28.535  12.441  -3.785
   72   HG11  VAL   7          HG11      VAL   7  29.309  13.357  -6.040
   73   HG12  VAL   7          HG12      VAL   7  30.466  12.006  -6.104
   74   HG13  VAL   7          HG13      VAL   7  30.583  13.218  -4.806
   75   HG21  VAL   7          HG21      VAL   7  28.272  10.701  -6.281
   76   HG22  VAL   7          HG22      VAL   7  27.210  12.049  -5.804
   77   HG23  VAL   7          HG23      VAL   7  27.239  10.554  -4.838
   78    H    ALA   8           HN       ALA   8  29.420  11.095  -1.615
   79    HA   ALA   8           HA       ALA   8  31.716  12.836  -1.105
   80    HB1  ALA   8           HB1      ALA   8  29.864  11.506   0.901
   81    HB2  ALA   8           HB2      ALA   8  29.505  13.036   0.064
   82    HB3  ALA   8           HB3      ALA   8  30.898  12.929   1.166
   83    H    ASN   9           HN       ASN   9  31.039   9.431  -0.968
   84    HA   ASN   9           HA       ASN   9  33.043   8.708   0.981
   85    HB2  ASN   9           HB2      ASN   9  31.133   7.255   0.217
   86    HB3  ASN   9           HB1      ASN   9  31.988   7.034  -1.329
   87   HD21  ASN   9          HD21      ASN   9  31.937   6.153   2.099
   88   HD22  ASN   9          HD22      ASN   9  33.266   4.993   2.004
   89    H    LEU  10           HN       LEU  10  33.029   8.803  -2.606
   90    HA   LEU  10           HA       LEU  10  35.810   7.969  -2.795
   91    HB2  LEU  10           HB2      LEU  10  34.232   9.470  -4.912
   92    HB3  LEU  10           HB1      LEU  10  35.571   8.320  -5.139
   93    HG   LEU  10           HG       LEU  10  32.800   7.653  -4.043
   94   HD11  LEU  10          HD11      LEU  10  32.835   8.096  -6.475
   95   HD12  LEU  10          HD12      LEU  10  32.589   6.363  -6.155
   96   HD13  LEU  10          HD13      LEU  10  34.186   6.954  -6.671
   97   HD21  LEU  10          HD21      LEU  10  34.324   6.155  -2.974
   98   HD22  LEU  10          HD22      LEU  10  35.342   6.016  -4.428
   99   HD23  LEU  10          HD23      LEU  10  33.736   5.251  -4.388
  100    H    LEU  11           HN       LEU  11  34.221  10.947  -2.096
  101    HA   LEU  11           HA       LEU  11  36.276  12.703  -3.161
  102    HB2  LEU  11           HB2      LEU  11  34.058  13.585  -2.799
  103    HB3  LEU  11           HB1      LEU  11  34.073  13.080  -1.096
  104    HG   LEU  11           HG       LEU  11  35.762  14.725  -0.539
  105   HD11  LEU  11          HD11      LEU  11  35.966  15.065  -3.558
  106   HD12  LEU  11          HD12      LEU  11  37.262  14.697  -2.393
  107   HD13  LEU  11          HD13      LEU  11  36.541  16.321  -2.435
  108   HD21  LEU  11          HD21      LEU  11  33.352  15.469  -0.838
  109   HD22  LEU  11          HD22      LEU  11  33.804  16.063  -2.454
  110   HD23  LEU  11          HD23      LEU  11  34.554  16.771  -1.002
  111    H    LYS  12           HN       LYS  12  35.336  12.123   0.259
  112    HA   LYS  12           HA       LYS  12  37.679  13.169   1.412
  113    HB2  LYS  12           HB2      LYS  12  35.978  10.854   2.420
  114    HB3  LYS  12           HB1      LYS  12  37.096  11.833   3.399
  115    HG2  LYS  12           HG2      LYS  12  35.773  13.881   2.729
  116    HG3  LYS  12           HG1      LYS  12  34.591  12.797   1.956
  117    HD2  LYS  12           HD2      LYS  12  34.283  11.626   4.150
  118    HD3  LYS  12           HD1      LYS  12  35.385  12.806   4.902
  119    HE2  LYS  12           HE2      LYS  12  32.778  13.481   3.469
  120    HE3  LYS  12           HE1      LYS  12  33.012  13.454   5.233
  121    HZ1  LYS  12           HZ1      LYS  12  34.704  15.167   4.992
  122    HZ2  LYS  12           HZ2      LYS  12  33.225  15.692   4.343
  123    HZ3  LYS  12           HZ3      LYS  12  34.481  15.194   3.311
  124    H    SER  13           HN       SER  13  36.954   9.680   0.883
  125    HA   SER  13           HA       SER  13  38.399   7.879   0.655
  126    HB2  SER  13           HB2      SER  13  38.963   9.101  -1.441
  127    HB3  SER  13           HB1      SER  13  40.247   9.966  -0.569
  128    HG   SER  13           HG       SER  13  41.362   8.276  -1.214
  129    H    LEU  14           HN       LEU  14  41.029   7.402   0.884
  130    HA   LEU  14           HA       LEU  14  41.463   7.652   3.722
  131    HB2  LEU  14           HB2      LEU  14  43.171   6.733   1.384
  132    HB3  LEU  14           HB1      LEU  14  43.838   6.817   3.031
  133    HG   LEU  14           HG       LEU  14  41.994   5.342   3.834
  134   HD11  LEU  14          HD11      LEU  14  41.226   5.443   0.891
  135   HD12  LEU  14          HD12      LEU  14  40.202   5.747   2.316
  136   HD13  LEU  14          HD13      LEU  14  40.733   4.092   1.941
  137   HD21  LEU  14          HD21      LEU  14  44.168   4.385   3.125
  138   HD22  LEU  14          HD22      LEU  14  43.564   4.249   1.455
  139   HD23  LEU  14          HD23      LEU  14  42.830   3.273   2.750
  140    H    LEU  15           HN       LEU  15  43.709   8.773   1.157
  141    HA   LEU  15           HA       LEU  15  44.844  10.773   2.928
  142    HB2  LEU  15           HB2      LEU  15  45.113  10.758  -0.096
  143    HB3  LEU  15           HB1      LEU  15  46.287  11.306   1.125
  144    HG   LEU  15           HG       LEU  15  45.410   8.432   0.596
  145   HD11  LEU  15          HD11      LEU  15  48.073   9.888   0.274
  146   HD12  LEU  15          HD12      LEU  15  47.010   9.344  -1.046
  147   HD13  LEU  15          HD13      LEU  15  47.812   8.149   0.003
  148   HD21  LEU  15          HD21      LEU  15  45.750   8.594   2.965
  149   HD22  LEU  15          HD22      LEU  15  47.150   9.675   2.768
  150   HD23  LEU  15          HD23      LEU  15  47.278   7.958   2.314
  Start of MODEL   16
    1    H1   LYS   1           HT1      LYS   1  15.861  11.452  -1.840
    2    H2   LYS   1           HT2      LYS   1  15.372   9.875  -2.241
    3    H3   LYS   1           HT3      LYS   1  15.382  11.093  -3.426
    4    HA   LYS   1           HA       LYS   1  17.289   9.329  -3.194
    5    HB2  LYS   1           HB2      LYS   1  18.775  11.046  -4.283
    6    HB3  LYS   1           HB1      LYS   1  17.150  10.933  -5.002
    7    HG2  LYS   1           HG2      LYS   1  16.414  12.875  -3.650
    8    HG3  LYS   1           HG1      LYS   1  18.039  12.991  -2.931
    9    HD2  LYS   1           HD2      LYS   1  19.024  13.420  -5.136
   10    HD3  LYS   1           HD1      LYS   1  17.437  13.206  -5.915
   11    HE2  LYS   1           HE2      LYS   1  16.562  15.117  -4.527
   12    HE3  LYS   1           HE1      LYS   1  18.216  15.378  -3.922
   13    HZ1  LYS   1           HZ1      LYS   1  18.960  16.015  -6.001
   14    HZ2  LYS   1           HZ2      LYS   1  17.406  16.700  -5.962
   15    HZ3  LYS   1           HZ3      LYS   1  17.684  15.264  -6.826
   16    H    LYS   2           HN       LYS   2  19.371   9.108  -2.342
   17    HA   LYS   2           HA       LYS   2  20.539  10.993  -0.507
   18    HB2  LYS   2           HB2      LYS   2  20.256   9.574   1.580
   19    HB3  LYS   2           HB1      LYS   2  18.782  10.417   1.041
   20    HG2  LYS   2           HG2      LYS   2  18.023   8.352  -0.108
   21    HG3  LYS   2           HG1      LYS   2  19.489   7.509   0.449
   22    HD2  LYS   2           HD2      LYS   2  18.840   7.823   2.784
   23    HD3  LYS   2           HD1      LYS   2  17.439   8.805   2.296
   24    HE2  LYS   2           HE2      LYS   2  16.540   6.833   1.039
   25    HE3  LYS   2           HE1      LYS   2  17.899   5.859   1.654
   26    HZ1  LYS   2           HZ1      LYS   2  17.110   5.972   3.806
   27    HZ2  LYS   2           HZ2      LYS   2  15.665   5.858   2.921
   28    HZ3  LYS   2           HZ3      LYS   2  16.178   7.360   3.527
   29    H    LEU   3           HN       LEU   3  21.488   9.700  -2.680
   30    HA   LEU   3           HA       LEU   3  23.100   7.389  -1.717
   31    HB2  LEU   3           HB2      LEU   3  22.716   8.804  -4.384
   32    HB3  LEU   3           HB1      LEU   3  24.057   7.662  -4.133
   33    HG   LEU   3           HG       LEU   3  22.499   5.870  -3.570
   34   HD11  LEU   3          HD11      LEU   3  20.747   6.996  -2.391
   35   HD12  LEU   3          HD12      LEU   3  19.985   6.368  -3.870
   36   HD13  LEU   3          HD13      LEU   3  20.423   8.090  -3.756
   37   HD21  LEU   3          HD21      LEU   3  21.329   5.664  -5.740
   38   HD22  LEU   3          HD22      LEU   3  22.972   6.308  -5.972
   39   HD23  LEU   3          HD23      LEU   3  21.569   7.400  -6.043
   40    H    LEU   4           HN       LEU   4  23.148  10.361  -0.827
   41    HA   LEU   4           HA       LEU   4  25.693  11.399  -1.722
   42    HB2  LEU   4           HB2      LEU   4  23.789  12.038   0.538
   43    HB3  LEU   4           HB1      LEU   4  25.409  12.770   0.541
   44    HG   LEU   4           HG       LEU   4  25.012  13.687  -1.717
   45   HD11  LEU   4          HD11      LEU   4  23.554  12.026  -2.681
   46   HD12  LEU   4          HD12      LEU   4  22.623  13.540  -2.609
   47   HD13  LEU   4          HD13      LEU   4  22.338  12.260  -1.404
   48   HD21  LEU   4          HD21      LEU   4  24.352  15.037   0.240
   49   HD22  LEU   4          HD22      LEU   4  22.756  14.249   0.263
   50   HD23  LEU   4          HD23      LEU   4  23.210  15.301  -1.099
   51    HA   PRO   5           HA       PRO   5  27.242   9.439   2.532
   52    HB2  PRO   5           HB2      PRO   5  25.945   6.743   2.130
   53    HB3  PRO   5           HB1      PRO   5  26.259   7.642   3.650
   54    HG2  PRO   5           HG2      PRO   5  23.797   7.513   2.656
   55    HG3  PRO   5           HG1      PRO   5  24.416   9.046   3.347
   56    HD2  PRO   5           HD2      PRO   5  24.159   8.247   0.440
   57    HD3  PRO   5           HD1      PRO   5  23.769   9.815   1.219
   58    H    ILE   6           HN       ILE   6  26.604   7.788  -0.527
   59    HA   ILE   6           HA       ILE   6  29.128   6.276  -0.464
   60    HB   ILE   6           HB       ILE   6  27.356   6.799  -2.890
   61   HG12  ILE   6          HG12      ILE   6  27.084   4.665  -0.721
   62   HG13  ILE   6          HG11      ILE   6  25.941   5.993  -1.031
   63   HG21  ILE   6          HG21      ILE   6  29.015   4.349  -2.161
   64   HG22  ILE   6          HG22      ILE   6  29.688   5.717  -3.081
   65   HG23  ILE   6          HG23      ILE   6  28.330   4.782  -3.745
   66   HD11  ILE   6           HD1      ILE   6  24.979   4.132  -2.149
   67   HD12  ILE   6           HD2      ILE   6  26.551   3.577  -2.768
   68   HD13  ILE   6           HD3      ILE   6  25.791   5.036  -3.449
   69    H    VAL   7           HN       VAL   7  27.781   8.970  -2.432
   70    HA   VAL   7           HA       VAL   7  30.122   9.534  -3.876
   71    HB   VAL   7           HB       VAL   7  28.086  11.531  -2.874
   72   HG11  VAL   7          HG11      VAL   7  30.115  11.573  -5.148
   73   HG12  VAL   7          HG12      VAL   7  30.001  12.693  -3.769
   74   HG13  VAL   7          HG13      VAL   7  28.757  12.717  -5.042
   75   HG21  VAL   7          HG21      VAL   7  28.149   9.843  -5.420
   76   HG22  VAL   7          HG22      VAL   7  26.967  11.128  -5.076
   77   HG23  VAL   7          HG23      VAL   7  27.006   9.662  -4.067
   78    H    ALA   8           HN       ALA   8  29.174  10.218  -0.777
   79    HA   ALA   8           HA       ALA   8  31.071  12.289  -0.106
   80    HB1  ALA   8           HB1      ALA   8  29.081  11.942   1.244
   81    HB2  ALA   8           HB2      ALA   8  30.526  11.683   2.251
   82    HB3  ALA   8           HB3      ALA   8  29.600  10.288   1.645
   83    H    ASN   9           HN       ASN   9  31.180   8.761  -0.145
   84    HA   ASN   9           HA       ASN   9  33.560   8.477   1.449
   85    HB2  ASN   9           HB2      ASN   9  31.997   6.614   0.908
   86    HB3  ASN   9           HB1      ASN   9  32.534   6.686  -0.788
   87   HD21  ASN   9          HD21      ASN   9  32.958   4.778   1.807
   88   HD22  ASN   9          HD22      ASN   9  34.670   4.374   1.636
   89    H    LEU  10           HN       LEU  10  32.968   9.065  -2.001
   90    HA   LEU  10           HA       LEU  10  35.744   8.676  -2.778
   91    HB2  LEU  10           HB2      LEU  10  33.694  10.351  -4.264
   92    HB3  LEU  10           HB1      LEU  10  35.064   9.431  -4.927
   93    HG   LEU  10           HG       LEU  10  32.573   8.262  -3.605
   94   HD11  LEU  10          HD11      LEU  10  32.050   7.436  -5.838
   95   HD12  LEU  10          HD12      LEU  10  33.584   8.075  -6.477
   96   HD13  LEU  10          HD13      LEU  10  32.311   9.194  -5.933
   97   HD21  LEU  10          HD21      LEU  10  34.375   6.784  -3.065
   98   HD22  LEU  10          HD22      LEU  10  35.148   7.010  -4.652
   99   HD23  LEU  10          HD23      LEU  10  33.636   6.080  -4.520
  100    H    LEU  11           HN       LEU  11  33.897  11.277  -1.378
  101    HA   LEU  11           HA       LEU  11  35.396  13.514  -2.247
  102    HB2  LEU  11           HB2      LEU  11  33.260  13.495  -0.856
  103    HB3  LEU  11           HB1      LEU  11  34.275  13.109   0.549
  104    HG   LEU  11           HG       LEU  11  35.667  15.231  -0.148
  105   HD11  LEU  11          HD11      LEU  11  34.146  16.989  -1.207
  106   HD12  LEU  11          HD12      LEU  11  33.057  15.663  -1.672
  107   HD13  LEU  11          HD13      LEU  11  34.714  15.723  -2.315
  108   HD21  LEU  11          HD21      LEU  11  34.139  16.687   1.155
  109   HD22  LEU  11          HD22      LEU  11  34.273  15.072   1.891
  110   HD23  LEU  11          HD23      LEU  11  32.829  15.500   0.943
  111    H    LYS  12           HN       LYS  12  35.830  11.592   0.763
  112    HA   LYS  12           HA       LYS  12  38.352  12.893   1.381
  113    HB2  LYS  12           HB2      LYS  12  37.447  10.189   2.429
  114    HB3  LYS  12           HB1      LYS  12  38.466  11.408   3.233
  115    HG2  LYS  12           HG2      LYS  12  35.502  11.682   2.561
  116    HG3  LYS  12           HG1      LYS  12  36.204  11.463   4.180
  117    HD2  LYS  12           HD2      LYS  12  37.548  13.627   3.704
  118    HD3  LYS  12           HD1      LYS  12  36.436  13.872   2.336
  119    HE2  LYS  12           HE2      LYS  12  34.511  13.632   3.973
  120    HE3  LYS  12           HE1      LYS  12  35.712  13.653   5.287
  121    HZ1  LYS  12           HZ1      LYS  12  34.744  15.860   4.766
  122    HZ2  LYS  12           HZ2      LYS  12  35.449  15.783   3.222
  123    HZ3  LYS  12           HZ3      LYS  12  36.432  15.814   4.607
  124    H    SER  13           HN       SER  13  37.368  10.097  -0.497
  125    HA   SER  13           HA       SER  13  38.602   8.595  -1.759
  126    HB2  SER  13           HB2      SER  13  40.422   9.476  -3.001
  127    HB3  SER  13           HB1      SER  13  39.380  10.878  -2.667
  128    HG   SER  13           HG       SER  13  41.916  10.263  -1.753
  129    H    LEU  14           HN       LEU  14  40.630   7.271  -1.872
  130    HA   LEU  14           HA       LEU  14  41.285   6.371   0.801
  131    HB2  LEU  14           HB2      LEU  14  41.194   4.757  -0.987
  132    HB3  LEU  14           HB1      LEU  14  42.360   5.677  -1.960
  133    HG   LEU  14           HG       LEU  14  44.167   5.162  -0.427
  134   HD11  LEU  14          HD11      LEU  14  41.929   4.099   1.343
  135   HD12  LEU  14          HD12      LEU  14  43.170   5.314   1.737
  136   HD13  LEU  14          HD13      LEU  14  43.623   3.603   1.575
  137   HD21  LEU  14          HD21      LEU  14  42.496   2.633  -0.760
  138   HD22  LEU  14          HD22      LEU  14  44.270   2.748  -0.662
  139   HD23  LEU  14          HD23      LEU  14  43.412   3.397  -2.080
  140    H    LEU  15           HN       LEU  15  42.487   7.609   2.111
  141    HA   LEU  15           HA       LEU  15  44.479   9.466   1.161
  142    HB2  LEU  15           HB2      LEU  15  44.375   8.256   3.946
  143    HB3  LEU  15           HB1      LEU  15  44.962   9.864   3.460
  144    HG   LEU  15           HG       LEU  15  42.076   8.877   3.350
  145   HD11  LEU  15          HD11      LEU  15  43.034   9.468   5.612
  146   HD12  LEU  15          HD12      LEU  15  41.685  10.513   5.106
  147   HD13  LEU  15          HD13      LEU  15  43.361  11.103   4.991
  148   HD21  LEU  15          HD21      LEU  15  42.327  10.354   1.487
  149   HD22  LEU  15          HD22      LEU  15  43.424  11.434   2.381
  150   HD23  LEU  15          HD23      LEU  15  41.691  11.384   2.789
  Start of MODEL   17
    1    H1   LYS   1           HT1      LYS   1  17.569   6.421  -1.634
    2    H2   LYS   1           HT2      LYS   1  17.265   5.589  -0.184
    3    H3   LYS   1           HT3      LYS   1  18.840   5.647  -0.821
    4    HA   LYS   1           HA       LYS   1  18.219   8.243  -0.629
    5    HB2  LYS   1           HB2      LYS   1  17.036   6.731   1.734
    6    HB3  LYS   1           HB1      LYS   1  17.352   8.484   1.705
    7    HG2  LYS   1           HG2      LYS   1  15.823   8.773  -0.184
    8    HG3  LYS   1           HG1      LYS   1  15.571   7.013  -0.286
    9    HD2  LYS   1           HD2      LYS   1  14.679   7.060   2.067
   10    HD3  LYS   1           HD1      LYS   1  14.801   8.837   2.034
   11    HE2  LYS   1           HE2      LYS   1  13.304   8.871   0.031
   12    HE3  LYS   1           HE1      LYS   1  13.130   7.104   0.160
   13    HZ1  LYS   1           HZ1      LYS   1  11.771   9.131   1.591
   14    HZ2  LYS   1           HZ2      LYS   1  12.632   8.157   2.685
   15    HZ3  LYS   1           HZ3      LYS   1  11.513   7.454   1.617
   16    H    LYS   2           HN       LYS   2  19.405   9.267   1.310
   17    HA   LYS   2           HA       LYS   2  21.433   9.489   2.415
   18    HB2  LYS   2           HB2      LYS   2  21.243   6.494   2.906
   19    HB3  LYS   2           HB1      LYS   2  22.097   7.710   3.888
   20    HG2  LYS   2           HG2      LYS   2  19.922   8.815   4.385
   21    HG3  LYS   2           HG1      LYS   2  19.082   7.558   3.446
   22    HD2  LYS   2           HD2      LYS   2  19.905   5.821   4.972
   23    HD3  LYS   2           HD1      LYS   2  20.840   7.031   5.882
   24    HE2  LYS   2           HE2      LYS   2  18.738   6.576   7.059
   25    HE3  LYS   2           HE1      LYS   2  18.706   8.233   6.407
   26    HZ1  LYS   2           HZ1      LYS   2  17.705   6.763   4.370
   27    HZ2  LYS   2           HZ2      LYS   2  16.772   7.603   5.514
   28    HZ3  LYS   2           HZ3      LYS   2  17.083   5.945   5.718
   29    H    LEU   3           HN       LEU   3  21.799   9.513  -0.193
   30    HA   LEU   3           HA       LEU   3  23.790   7.476  -0.990
   31    HB2  LEU   3           HB2      LEU   3  22.625   9.974  -2.279
   32    HB3  LEU   3           HB1      LEU   3  23.994   9.097  -3.004
   33    HG   LEU   3           HG       LEU   3  22.672   7.054  -3.169
   34   HD11  LEU   3          HD11      LEU   3  20.632   8.660  -1.585
   35   HD12  LEU   3          HD12      LEU   3  21.312   7.056  -1.217
   36   HD13  LEU   3          HD13      LEU   3  20.157   7.245  -2.555
   37   HD21  LEU   3          HD21      LEU   3  22.436   8.892  -4.912
   38   HD22  LEU   3          HD22      LEU   3  20.936   9.385  -4.088
   39   HD23  LEU   3          HD23      LEU   3  21.058   7.769  -4.826
   40    H    LEU   4           HN       LEU   4  23.809   9.863   1.185
   41    HA   LEU   4           HA       LEU   4  25.929  11.600   0.573
   42    HB2  LEU   4           HB2      LEU   4  24.815  10.447   3.124
   43    HB3  LEU   4           HB1      LEU   4  26.349  11.339   3.220
   44    HG   LEU   4           HG       LEU   4  25.282  13.286   2.116
   45   HD11  LEU   4          HD11      LEU   4  23.626  12.192   0.730
   46   HD12  LEU   4          HD12      LEU   4  22.750  13.221   1.890
   47   HD13  LEU   4          HD13      LEU   4  22.841  11.462   2.150
   48   HD21  LEU   4          HD21      LEU   4  23.861  13.951   3.988
   49   HD22  LEU   4          HD22      LEU   4  25.218  12.986   4.619
   50   HD23  LEU   4          HD23      LEU   4  23.606  12.251   4.447
   51    HA   PRO   5           HA       PRO   5  29.190   8.540   2.565
   52    HB2  PRO   5           HB2      PRO   5  28.414   5.816   2.231
   53    HB3  PRO   5           HB1      PRO   5  28.431   6.732   3.771
   54    HG2  PRO   5           HG2      PRO   5  26.146   6.188   1.900
   55    HG3  PRO   5           HG1      PRO   5  26.170   6.244   3.691
   56    HD2  PRO   5           HD2      PRO   5  25.160   8.291   2.275
   57    HD3  PRO   5           HD1      PRO   5  26.135   8.603   3.747
   58    H    ILE   6           HN       ILE   6  27.139   7.852  -0.221
   59    HA   ILE   6           HA       ILE   6  29.233   6.538  -1.763
   60    HB   ILE   6           HB       ILE   6  26.805   7.987  -2.897
   61   HG12  ILE   6          HG12      ILE   6  27.026   5.201  -1.664
   62   HG13  ILE   6          HG11      ILE   6  26.008   6.542  -1.092
   63   HG21  ILE   6          HG21      ILE   6  28.210   5.448  -3.830
   64   HG22  ILE   6          HG22      ILE   6  28.682   7.068  -4.396
   65   HG23  ILE   6          HG23      ILE   6  27.047   6.449  -4.730
   66   HD11  ILE   6           HD1      ILE   6  24.502   5.191  -2.327
   67   HD12  ILE   6           HD2      ILE   6  25.698   4.863  -3.602
   68   HD13  ILE   6           HD3      ILE   6  24.944   6.471  -3.480
   69    H    VAL   7           HN       VAL   7  27.754   9.816  -1.854
   70    HA   VAL   7           HA       VAL   7  29.498  10.859  -3.821
   71    HB   VAL   7           HB       VAL   7  28.225  12.336  -1.511
   72   HG11  VAL   7          HG11      VAL   7  29.879  13.746  -2.551
   73   HG12  VAL   7          HG12      VAL   7  28.306  14.258  -3.205
   74   HG13  VAL   7          HG13      VAL   7  29.385  13.235  -4.182
   75   HG21  VAL   7          HG21      VAL   7  27.195  11.844  -4.345
   76   HG22  VAL   7          HG22      VAL   7  26.368  12.782  -3.078
   77   HG23  VAL   7          HG23      VAL   7  26.596  11.027  -2.882
   78    H    ALA   8           HN       ALA   8  29.764  10.327  -0.563
   79    HA   ALA   8           HA       ALA   8  32.084  11.962   0.012
   80    HB1  ALA   8           HB1      ALA   8  31.136   9.465   1.456
   81    HB2  ALA   8           HB2      ALA   8  30.494  11.101   1.736
   82    HB3  ALA   8           HB3      ALA   8  32.198  10.737   2.103
   83    H    ASN   9           HN       ASN   9  31.580   8.619  -1.064
   84    HA   ASN   9           HA       ASN   9  34.170   7.587  -0.669
   85    HB2  ASN   9           HB2      ASN   9  32.183   6.309  -1.501
   86    HB3  ASN   9           HB1      ASN   9  32.386   7.094  -3.085
   87   HD21  ASN   9          HD21      ASN   9  32.592   4.284  -2.942
   88   HD22  ASN   9          HD22      ASN   9  34.281   3.823  -3.178
   89    H    LEU  10           HN       LEU  10  32.890   9.539  -3.380
   90    HA   LEU  10           HA       LEU  10  35.243   9.447  -4.994
   91    HB2  LEU  10           HB2      LEU  10  32.963  11.432  -4.709
   92    HB3  LEU  10           HB1      LEU  10  34.309  11.740  -5.831
   93    HG   LEU  10           HG       LEU  10  33.874   9.576  -6.958
   94   HD11  LEU  10          HD11      LEU  10  32.967   8.190  -5.242
   95   HD12  LEU  10          HD12      LEU  10  31.611   8.465  -6.358
   96   HD13  LEU  10          HD13      LEU  10  31.706   9.376  -4.831
   97   HD21  LEU  10          HD21      LEU  10  32.703  11.737  -7.618
   98   HD22  LEU  10          HD22      LEU  10  31.296  11.181  -6.679
   99   HD23  LEU  10          HD23      LEU  10  31.846  10.252  -8.094
  100    H    LEU  11           HN       LEU  11  34.194  11.776  -2.476
  101    HA   LEU  11           HA       LEU  11  36.657  13.333  -2.700
  102    HB2  LEU  11           HB2      LEU  11  34.752  13.334  -0.335
  103    HB3  LEU  11           HB1      LEU  11  35.766  14.663  -0.947
  104    HG   LEU  11           HG       LEU  11  33.353  13.428  -2.348
  105   HD11  LEU  11          HD11      LEU  11  33.842  16.210  -1.192
  106   HD12  LEU  11          HD12      LEU  11  32.841  14.946  -0.439
  107   HD13  LEU  11          HD13      LEU  11  32.355  15.655  -1.997
  108   HD21  LEU  11          HD21      LEU  11  34.888  14.043  -4.081
  109   HD22  LEU  11          HD22      LEU  11  35.401  15.512  -3.217
  110   HD23  LEU  11          HD23      LEU  11  33.777  15.424  -3.940
  111    H    LYS  12           HN       LYS  12  36.318  10.267  -1.789
  112    HA   LYS  12           HA       LYS  12  37.487   8.849  -0.375
  113    HB2  LYS  12           HB2      LYS  12  39.472  11.158  -0.320
  114    HB3  LYS  12           HB1      LYS  12  39.812   9.470   0.132
  115    HG2  LYS  12           HG2      LYS  12  39.176   8.754  -2.177
  116    HG3  LYS  12           HG1      LYS  12  38.939  10.463  -2.617
  117    HD2  LYS  12           HD2      LYS  12  41.316  10.922  -1.987
  118    HD3  LYS  12           HD1      LYS  12  41.539   9.186  -1.661
  119    HE2  LYS  12           HE2      LYS  12  40.678  10.375  -4.335
  120    HE3  LYS  12           HE1      LYS  12  42.319   9.806  -3.945
  121    HZ1  LYS  12           HZ1      LYS  12  41.666   7.780  -4.513
  122    HZ2  LYS  12           HZ2      LYS  12  40.072   8.305  -4.773
  123    HZ3  LYS  12           HZ3      LYS  12  40.554   7.777  -3.233
  124    H    SER  13           HN       SER  13  35.538   9.567   1.057
  125    HA   SER  13           HA       SER  13  34.763  10.110   3.176
  126    HB2  SER  13           HB2      SER  13  37.636   9.511   3.979
  127    HB3  SER  13           HB1      SER  13  36.212   9.492   5.044
  128    HG   SER  13           HG       SER  13  35.538   7.970   3.074
  129    H    LEU  14           HN       LEU  14  34.487  12.340   2.467
  130    HA   LEU  14           HA       LEU  14  35.705  14.170   4.342
  131    HB2  LEU  14           HB2      LEU  14  37.574  13.887   2.657
  132    HB3  LEU  14           HB1      LEU  14  36.483  14.553   1.426
  133    HG   LEU  14           HG       LEU  14  36.208  16.601   2.976
  134   HD11  LEU  14          HD11      LEU  14  37.054  15.895   5.083
  135   HD12  LEU  14          HD12      LEU  14  38.345  16.925   4.435
  136   HD13  LEU  14          HD13      LEU  14  38.501  15.156   4.361
  137   HD21  LEU  14          HD21      LEU  14  38.311  17.614   2.160
  138   HD22  LEU  14          HD22      LEU  14  37.568  16.599   0.900
  139   HD23  LEU  14          HD23      LEU  14  38.966  15.995   1.821
  140    H    LEU  15           HN       LEU  15  33.436  14.434   4.702
  141    HA   LEU  15           HA       LEU  15  31.501  15.109   2.801
  142    HB2  LEU  15           HB2      LEU  15  30.541  16.583   4.778
  143    HB3  LEU  15           HB1      LEU  15  30.655  14.820   4.966
  144    HG   LEU  15           HG       LEU  15  32.729  15.024   6.228
  145   HD11  LEU  15          HD11      LEU  15  32.502  17.966   5.481
  146   HD12  LEU  15          HD12      LEU  15  33.861  16.856   5.176
  147   HD13  LEU  15          HD13      LEU  15  33.514  17.404   6.831
  148   HD21  LEU  15          HD21      LEU  15  31.889  16.277   8.188
  149   HD22  LEU  15          HD22      LEU  15  30.587  15.313   7.447
  150   HD23  LEU  15          HD23      LEU  15  30.668  17.068   7.165
  Start of MODEL   18
    1    H1   LYS   1           HT1      LYS   1  15.661   5.814   2.119
    2    H2   LYS   1           HT2      LYS   1  16.809   6.791   2.904
    3    H3   LYS   1           HT3      LYS   1  17.043   5.111   2.805
    4    HA   LYS   1           HA       LYS   1  17.059   5.358   0.348
    5    HB2  LYS   1           HB2      LYS   1  17.465   8.275   1.123
    6    HB3  LYS   1           HB1      LYS   1  17.543   7.590  -0.520
    7    HG2  LYS   1           HG2      LYS   1  15.157   6.818  -0.243
    8    HG3  LYS   1           HG1      LYS   1  15.105   7.692   1.307
    9    HD2  LYS   1           HD2      LYS   1  15.712   9.799   0.104
   10    HD3  LYS   1           HD1      LYS   1  15.649   8.909  -1.436
   11    HE2  LYS   1           HE2      LYS   1  13.263   8.269  -0.875
   12    HE3  LYS   1           HE1      LYS   1  13.359   9.373   0.519
   13    HZ1  LYS   1           HZ1      LYS   1  12.397  10.460  -1.419
   14    HZ2  LYS   1           HZ2      LYS   1  13.793  10.132  -2.329
   15    HZ3  LYS   1           HZ3      LYS   1  13.872  11.184  -0.997
   16    H    LYS   2           HN       LYS   2  19.175   5.818  -0.744
   17    HA   LYS   2           HA       LYS   2  21.470   6.266   1.085
   18    HB2  LYS   2           HB2      LYS   2  22.546   4.122   0.456
   19    HB3  LYS   2           HB1      LYS   2  21.048   3.865   1.381
   20    HG2  LYS   2           HG2      LYS   2  19.819   3.596  -0.808
   21    HG3  LYS   2           HG1      LYS   2  21.383   3.669  -1.649
   22    HD2  LYS   2           HD2      LYS   2  20.956   1.658   0.597
   23    HD3  LYS   2           HD1      LYS   2  20.352   1.313  -1.036
   24    HE2  LYS   2           HE2      LYS   2  23.243   2.067  -0.414
   25    HE3  LYS   2           HE1      LYS   2  22.657   0.401  -0.610
   26    HZ1  LYS   2           HZ1      LYS   2  21.951   0.923  -2.840
   27    HZ2  LYS   2           HZ2      LYS   2  23.592   1.326  -2.664
   28    HZ3  LYS   2           HZ3      LYS   2  22.411   2.546  -2.661
   29    H    LEU   3           HN       LEU   3  23.502   5.369  -0.477
   30    HA   LEU   3           HA       LEU   3  24.712   5.840  -2.400
   31    HB2  LEU   3           HB2      LEU   3  22.333   5.277  -3.521
   32    HB3  LEU   3           HB1      LEU   3  22.321   7.024  -3.836
   33    HG   LEU   3           HG       LEU   3  24.789   6.589  -4.750
   34   HD11  LEU   3          HD11      LEU   3  23.482   3.839  -5.001
   35   HD12  LEU   3          HD12      LEU   3  24.946   4.224  -4.070
   36   HD13  LEU   3          HD13      LEU   3  24.963   4.344  -5.844
   37   HD21  LEU   3          HD21      LEU   3  23.828   6.108  -7.011
   38   HD22  LEU   3          HD22      LEU   3  22.929   7.379  -6.148
   39   HD23  LEU   3          HD23      LEU   3  22.269   5.728  -6.243
   40    H    LEU   4           HN       LEU   4  22.970   7.898  -0.460
   41    HA   LEU   4           HA       LEU   4  23.877  10.423  -1.729
   42    HB2  LEU   4           HB2      LEU   4  22.637  10.174   1.027
   43    HB3  LEU   4           HB1      LEU   4  22.568  11.534  -0.116
   44    HG   LEU   4           HG       LEU   4  21.227   8.816  -0.437
   45   HD11  LEU   4          HD11      LEU   4  19.157  10.055  -0.209
   46   HD12  LEU   4          HD12      LEU   4  20.028  11.608  -0.212
   47   HD13  LEU   4          HD13      LEU   4  20.201  10.493   1.164
   48   HD21  LEU   4          HD21      LEU   4  21.897   9.509  -2.638
   49   HD22  LEU   4          HD22      LEU   4  21.488  11.209  -2.306
   50   HD23  LEU   4          HD23      LEU   4  20.195   9.999  -2.482
   51    HA   PRO   5           HA       PRO   5  26.761  10.350   2.040
   52    HB2  PRO   5           HB2      PRO   5  27.146   8.134   3.533
   53    HB3  PRO   5           HB1      PRO   5  25.676   9.141   3.728
   54    HG2  PRO   5           HG2      PRO   5  26.012   6.511   2.323
   55    HG3  PRO   5           HG1      PRO   5  24.630   7.125   3.282
   56    HD2  PRO   5           HD2      PRO   5  24.843   7.173   0.441
   57    HD3  PRO   5           HD1      PRO   5  23.648   8.086   1.417
   58    H    ILE   6           HN       ILE   6  26.737   7.612  -0.146
   59    HA   ILE   6           HA       ILE   6  29.521   6.890   0.155
   60    HB   ILE   6           HB       ILE   6  27.859   6.558  -2.377
   61   HG12  ILE   6          HG12      ILE   6  27.900   4.863   0.164
   62   HG13  ILE   6          HG11      ILE   6  26.515   5.775  -0.479
   63   HG21  ILE   6          HG21      ILE   6  29.964   4.724  -1.156
   64   HG22  ILE   6          HG22      ILE   6  30.379   6.022  -2.301
   65   HG23  ILE   6          HG23      ILE   6  29.309   4.697  -2.811
   66   HD11  ILE   6           HD1      ILE   6  27.835   3.290  -1.616
   67   HD12  ILE   6           HD2      ILE   6  26.836   4.351  -2.640
   68   HD13  ILE   6           HD3      ILE   6  26.123   3.555  -1.218
   69    H    VAL   7           HN       VAL   7  27.771   9.302  -1.736
   70    HA   VAL   7           HA       VAL   7  29.714   9.954  -3.635
   71    HB   VAL   7           HB       VAL   7  27.993  11.933  -2.140
   72   HG11  VAL   7          HG11      VAL   7  29.644  13.044  -3.533
   73   HG12  VAL   7          HG12      VAL   7  28.079  13.133  -4.377
   74   HG13  VAL   7          HG13      VAL   7  29.303  11.949  -4.894
   75   HG21  VAL   7          HG21      VAL   7  27.355  10.298  -4.641
   76   HG22  VAL   7          HG22      VAL   7  26.298  11.519  -3.892
   77   HG23  VAL   7          HG23      VAL   7  26.670  10.012  -3.022
   78    H    ALA   8           HN       ALA   8  29.517  10.555  -0.384
   79    HA   ALA   8           HA       ALA   8  31.579  12.599  -0.185
   80    HB1  ALA   8           HB1      ALA   8  30.650  10.732   2.017
   81    HB2  ALA   8           HB2      ALA   8  29.729  12.163   1.496
   82    HB3  ALA   8           HB3      ALA   8  31.361  12.354   2.182
   83    H    ASN   9           HN       ASN   9  31.493   9.061  -0.015
   84    HA   ASN   9           HA       ASN   9  34.128   8.706   1.063
   85    HB2  ASN   9           HB2      ASN   9  32.607   6.885  -0.843
   86    HB3  ASN   9           HB1      ASN   9  33.949   6.419   0.231
   87   HD21  ASN   9          HD21      ASN   9  32.580   8.582   2.179
   88   HD22  ASN   9          HD22      ASN   9  31.343   7.596   2.968
   89    H    LEU  10           HN       LEU  10  32.937   9.500  -2.136
   90    HA   LEU  10           HA       LEU  10  35.339   8.724  -3.566
   91    HB2  LEU  10           HB2      LEU  10  33.358  10.875  -4.393
   92    HB3  LEU  10           HB1      LEU  10  34.376   9.858  -5.438
   93    HG   LEU  10           HG       LEU  10  32.101   8.863  -3.660
   94   HD11  LEU  10          HD11      LEU  10  32.308   9.030  -6.698
   95   HD12  LEU  10          HD12      LEU  10  31.421  10.195  -5.686
   96   HD13  LEU  10          HD13      LEU  10  30.902   8.494  -5.750
   97   HD21  LEU  10          HD21      LEU  10  33.682   7.080  -3.820
   98   HD22  LEU  10          HD22      LEU  10  34.087   7.475  -5.510
   99   HD23  LEU  10          HD23      LEU  10  32.511   6.746  -5.116
  100    H    LEU  11           HN       LEU  11  34.240  11.641  -1.885
  101    HA   LEU  11           HA       LEU  11  36.368  13.333  -2.910
  102    HB2  LEU  11           HB2      LEU  11  34.884  13.721  -0.289
  103    HB3  LEU  11           HB1      LEU  11  35.585  14.958  -1.360
  104    HG   LEU  11           HG       LEU  11  33.206  13.157  -1.998
  105   HD11  LEU  11          HD11      LEU  11  31.959  15.311  -1.987
  106   HD12  LEU  11          HD12      LEU  11  33.446  16.157  -1.495
  107   HD13  LEU  11          HD13      LEU  11  32.695  14.969  -0.404
  108   HD21  LEU  11          HD21      LEU  11  33.073  14.781  -4.019
  109   HD22  LEU  11          HD22      LEU  11  34.333  13.529  -4.073
  110   HD23  LEU  11          HD23      LEU  11  34.760  15.202  -3.638
  111    H    LYS  12           HN       LYS  12  35.800  12.091   0.418
  112    HA   LYS  12           HA       LYS  12  38.340  12.690   1.447
  113    HB2  LYS  12           HB2      LYS  12  36.523  10.326   2.060
  114    HB3  LYS  12           HB1      LYS  12  37.921  10.807   3.052
  115    HG2  LYS  12           HG2      LYS  12  36.894  13.090   3.299
  116    HG3  LYS  12           HG1      LYS  12  35.454  12.491   2.439
  117    HD2  LYS  12           HD2      LYS  12  35.128  10.754   4.165
  118    HD3  LYS  12           HD1      LYS  12  36.581  11.324   5.022
  119    HE2  LYS  12           HE2      LYS  12  35.500  13.584   5.243
  120    HE3  LYS  12           HE1      LYS  12  34.022  12.903   4.522
  121    HZ1  LYS  12           HZ1      LYS  12  35.126  11.369   6.717
  122    HZ2  LYS  12           HZ2      LYS  12  33.518  11.815   6.398
  123    HZ3  LYS  12           HZ3      LYS  12  34.573  12.912   7.153
  124    H    SER  13           HN       SER  13  37.309   9.444   0.280
  125    HA   SER  13           HA       SER  13  38.564   7.710  -0.610
  126    HB2  SER  13           HB2      SER  13  40.429   9.898  -1.599
  127    HB3  SER  13           HB1      SER  13  40.220   8.268  -2.277
  128    HG   SER  13           HG       SER  13  38.490  10.497  -2.336
  129    H    LEU  14           HN       LEU  14  40.671   6.558  -0.542
  130    HA   LEU  14           HA       LEU  14  41.802   6.812   2.130
  131    HB2  LEU  14           HB2      LEU  14  42.945   5.128  -0.123
  132    HB3  LEU  14           HB1      LEU  14  42.982   4.818   1.630
  133    HG   LEU  14           HG       LEU  14  40.523   4.769  -0.175
  134   HD11  LEU  14          HD11      LEU  14  40.484   2.371   0.429
  135   HD12  LEU  14          HD12      LEU  14  41.956   2.587   1.407
  136   HD13  LEU  14          HD13      LEU  14  42.021   2.798  -0.360
  137   HD21  LEU  14          HD21      LEU  14  40.866   4.533   2.845
  138   HD22  LEU  14          HD22      LEU  14  39.446   3.871   1.999
  139   HD23  LEU  14          HD23      LEU  14  39.781   5.616   1.942
  140    H    LEU  15           HN       LEU  15  44.328   6.567   2.269
  141    HA   LEU  15           HA       LEU  15  45.440   9.083   1.652
  142    HB2  LEU  15           HB2      LEU  15  46.438   7.696   3.349
  143    HB3  LEU  15           HB1      LEU  15  46.740   6.386   2.190
  144    HG   LEU  15           HG       LEU  15  48.436   7.681   1.044
  145   HD11  LEU  15          HD11      LEU  15  47.399   9.967   2.765
  146   HD12  LEU  15          HD12      LEU  15  47.552   9.898   0.993
  147   HD13  LEU  15          HD13      LEU  15  49.008  10.021   2.005
  148   HD21  LEU  15          HD21      LEU  15  49.138   6.562   3.136
  149   HD22  LEU  15          HD22      LEU  15  48.713   8.021   4.064
  150   HD23  LEU  15          HD23      LEU  15  50.050   8.070   2.888
  Start of MODEL   19
    1    H1   LYS   1           HT1      LYS   1  17.534  11.890   0.801
    2    H2   LYS   1           HT2      LYS   1  18.627  11.316  -0.366
    3    H3   LYS   1           HT3      LYS   1  17.829  12.798  -0.600
    4    HA   LYS   1           HA       LYS   1  19.104  13.920   0.847
    5    HB2  LYS   1           HB2      LYS   1  18.558  12.359   2.725
    6    HB3  LYS   1           HB1      LYS   1  19.844  11.271   2.151
    7    HG2  LYS   1           HG2      LYS   1  21.527  13.023   2.478
    8    HG3  LYS   1           HG1      LYS   1  20.262  14.187   2.941
    9    HD2  LYS   1           HD2      LYS   1  19.672  12.795   4.891
   10    HD3  LYS   1           HD1      LYS   1  20.903  11.599   4.421
   11    HE2  LYS   1           HE2      LYS   1  21.894  12.998   6.121
   12    HE3  LYS   1           HE1      LYS   1  22.627  13.466   4.567
   13    HZ1  LYS   1           HZ1      LYS   1  21.827  15.506   4.801
   14    HZ2  LYS   1           HZ2      LYS   1  21.279  15.100   6.358
   15    HZ3  LYS   1           HZ3      LYS   1  20.245  14.936   5.019
   16    H    LYS   2           HN       LYS   2  21.083  14.657   0.311
   17    HA   LYS   2           HA       LYS   2  22.717  12.918  -1.510
   18    HB2  LYS   2           HB2      LYS   2  23.834  15.222  -1.968
   19    HB3  LYS   2           HB1      LYS   2  22.174  14.977  -2.555
   20    HG2  LYS   2           HG2      LYS   2  21.230  16.210  -0.729
   21    HG3  LYS   2           HG1      LYS   2  22.772  16.216   0.160
   22    HD2  LYS   2           HD2      LYS   2  23.788  17.581  -1.676
   23    HD3  LYS   2           HD1      LYS   2  22.200  17.635  -2.480
   24    HE2  LYS   2           HE2      LYS   2  22.681  18.597   0.371
   25    HE3  LYS   2           HE1      LYS   2  22.719  19.666  -1.052
   26    HZ1  LYS   2           HZ1      LYS   2  20.466  19.180  -1.522
   27    HZ2  LYS   2           HZ2      LYS   2  20.533  19.524   0.140
   28    HZ3  LYS   2           HZ3      LYS   2  20.408  17.916  -0.394
   29    H    LEU   3           HN       LEU   3  25.149  14.141  -1.350
   30    HA   LEU   3           HA       LEU   3  27.125  13.963  -0.158
   31    HB2  LEU   3           HB2      LEU   3  25.420  14.559   2.296
   32    HB3  LEU   3           HB1      LEU   3  27.172  14.793   2.128
   33    HG   LEU   3           HG       LEU   3  25.127  16.207   0.360
   34   HD11  LEU   3          HD11      LEU   3  24.794  16.809   2.753
   35   HD12  LEU   3          HD12      LEU   3  25.440  18.173   1.809
   36   HD13  LEU   3          HD13      LEU   3  26.518  17.236   2.871
   37   HD21  LEU   3          HD21      LEU   3  28.115  16.524   0.882
   38   HD22  LEU   3          HD22      LEU   3  27.139  17.811   0.137
   39   HD23  LEU   3          HD23      LEU   3  27.294  16.236  -0.670
   40    H    LEU   4           HN       LEU   4  24.780  11.797  -0.170
   41    HA   LEU   4           HA       LEU   4  24.997  10.096   2.013
   42    HB2  LEU   4           HB2      LEU   4  25.069   9.211  -0.896
   43    HB3  LEU   4           HB1      LEU   4  24.537   8.230   0.486
   44    HG   LEU   4           HG       LEU   4  23.237  10.858  -0.369
   45   HD11  LEU   4          HD11      LEU   4  22.386   7.965  -0.847
   46   HD12  LEU   4          HD12      LEU   4  22.962   9.104  -2.087
   47   HD13  LEU   4          HD13      LEU   4  21.420   9.404  -1.250
   48   HD21  LEU   4          HD21      LEU   4  21.339   9.770   1.094
   49   HD22  LEU   4          HD22      LEU   4  22.707  10.540   1.924
   50   HD23  LEU   4          HD23      LEU   4  22.644   8.768   1.769
   51    HA   PRO   5           HA       PRO   5  29.168   8.689   2.712
   52    HB2  PRO   5           HB2      PRO   5  27.988   5.931   2.251
   53    HB3  PRO   5           HB1      PRO   5  29.139   6.475   3.515
   54    HG2  PRO   5           HG2      PRO   5  26.525   6.178   4.045
   55    HG3  PRO   5           HG1      PRO   5  27.480   7.510   4.767
   56    HD2  PRO   5           HD2      PRO   5  25.386   7.644   2.626
   57    HD3  PRO   5           HD1      PRO   5  25.960   8.922   3.750
   58    H    ILE   6           HN       ILE   6  27.275   7.383   0.008
   59    HA   ILE   6           HA       ILE   6  29.535   6.356  -1.472
   60    HB   ILE   6           HB       ILE   6  26.899   7.306  -2.668
   61   HG12  ILE   6          HG12      ILE   6  27.554   4.696  -1.223
   62   HG13  ILE   6          HG11      ILE   6  26.381   5.928  -0.704
   63   HG21  ILE   6          HG21      ILE   6  27.350   5.679  -4.370
   64   HG22  ILE   6          HG22      ILE   6  28.647   4.925  -3.413
   65   HG23  ILE   6          HG23      ILE   6  28.886   6.540  -4.120
   66   HD11  ILE   6           HD1      ILE   6  25.049   4.276  -1.768
   67   HD12  ILE   6           HD2      ILE   6  26.223   4.048  -3.083
   68   HD13  ILE   6           HD3      ILE   6  25.241   5.532  -3.013
   69    H    VAL   7           HN       VAL   7  27.564   9.346  -1.818
   70    HA   VAL   7           HA       VAL   7  29.030  10.466  -3.931
   71    HB   VAL   7           HB       VAL   7  27.774  11.976  -1.639
   72   HG11  VAL   7          HG11      VAL   7  27.412  13.701  -3.485
   73   HG12  VAL   7          HG12      VAL   7  28.484  12.716  -4.509
   74   HG13  VAL   7          HG13      VAL   7  29.109  13.451  -3.013
   75   HG21  VAL   7          HG21      VAL   7  26.248  10.284  -2.725
   76   HG22  VAL   7          HG22      VAL   7  26.514  11.108  -4.280
   77   HG23  VAL   7          HG23      VAL   7  25.709  11.967  -2.946
   78    H    ALA   8           HN       ALA   8  29.615  10.246  -0.679
   79    HA   ALA   8           HA       ALA   8  31.783  12.200  -0.513
   80    HB1  ALA   8           HB1      ALA   8  30.471  11.686   1.463
   81    HB2  ALA   8           HB2      ALA   8  32.161  11.198   1.736
   82    HB3  ALA   8           HB3      ALA   8  30.927   9.970   1.362
   83    H    ASN   9           HN       ASN   9  31.519   8.680  -0.947
   84    HA   ASN   9           HA       ASN   9  34.186   7.925  -0.522
   85    HB2  ASN   9           HB2      ASN   9  32.327   6.359  -1.032
   86    HB3  ASN   9           HB1      ASN   9  32.340   6.919  -2.722
   87   HD21  ASN   9          HD21      ASN   9  34.394   6.557  -3.989
   88   HD22  ASN   9          HD22      ASN   9  35.433   5.204  -3.531
   89    H    LEU  10           HN       LEU  10  32.779   9.719  -3.207
   90    HA   LEU  10           HA       LEU  10  34.971   9.344  -5.042
   91    HB2  LEU  10           HB2      LEU  10  33.186  11.797  -4.915
   92    HB3  LEU  10           HB1      LEU  10  33.965  11.065  -6.338
   93    HG   LEU  10           HG       LEU  10  31.705   9.869  -4.674
   94   HD11  LEU  10          HD11      LEU  10  31.819  10.677  -7.612
   95   HD12  LEU  10          HD12      LEU  10  31.148  11.703  -6.321
   96   HD13  LEU  10          HD13      LEU  10  30.389  10.138  -6.701
   97   HD21  LEU  10          HD21      LEU  10  33.424   8.722  -6.914
   98   HD22  LEU  10          HD22      LEU  10  31.790   8.101  -6.572
   99   HD23  LEU  10          HD23      LEU  10  33.056   8.007  -5.327
  100    H    LEU  11           HN       LEU  11  34.213  11.876  -2.623
  101    HA   LEU  11           HA       LEU  11  36.553  13.460  -3.249
  102    HB2  LEU  11           HB2      LEU  11  34.632  13.325  -0.902
  103    HB3  LEU  11           HB1      LEU  11  36.057  14.391  -0.860
  104    HG   LEU  11           HG       LEU  11  35.314  15.528  -2.902
  105   HD11  LEU  11          HD11      LEU  11  34.232  13.823  -4.170
  106   HD12  LEU  11          HD12      LEU  11  32.926  14.944  -3.725
  107   HD13  LEU  11          HD13      LEU  11  33.126  13.414  -2.837
  108   HD21  LEU  11          HD21      LEU  11  34.439  16.249  -0.655
  109   HD22  LEU  11          HD22      LEU  11  32.999  15.241  -0.933
  110   HD23  LEU  11          HD23      LEU  11  33.329  16.633  -1.991
  111    H    LYS  12           HN       LYS  12  36.265  12.626   0.103
  112    HA   LYS  12           HA       LYS  12  38.491  10.665   0.011
  113    HB2  LYS  12           HB2      LYS  12  38.753  13.391   1.346
  114    HB3  LYS  12           HB1      LYS  12  39.868  12.026   1.592
  115    HG2  LYS  12           HG2      LYS  12  40.181  12.004  -0.961
  116    HG3  LYS  12           HG1      LYS  12  39.335  13.569  -0.978
  117    HD2  LYS  12           HD2      LYS  12  41.016  14.538   0.520
  118    HD3  LYS  12           HD1      LYS  12  41.836  12.964   0.658
  119    HE2  LYS  12           HE2      LYS  12  42.996  14.390  -0.985
  120    HE3  LYS  12           HE1      LYS  12  42.261  12.984  -1.794
  121    HZ1  LYS  12           HZ1      LYS  12  41.821  15.039  -2.996
  122    HZ2  LYS  12           HZ2      LYS  12  41.073  15.712  -1.628
  123    HZ3  LYS  12           HZ3      LYS  12  40.378  14.371  -2.407
  124    H    SER  13           HN       SER  13  36.350   9.643   0.756
  125    HA   SER  13           HA       SER  13  35.476  10.278   3.464
  126    HB2  SER  13           HB2      SER  13  34.056   9.195   1.666
  127    HB3  SER  13           HB1      SER  13  35.013   7.715   1.896
  128    HG   SER  13           HG       SER  13  34.282   8.627   4.287
  129    H    LEU  14           HN       LEU  14  35.205   7.784   4.645
  130    HA   LEU  14           HA       LEU  14  37.713   6.359   4.756
  131    HB2  LEU  14           HB2      LEU  14  38.616   7.106   6.833
  132    HB3  LEU  14           HB1      LEU  14  38.315   8.569   5.872
  133    HG   LEU  14           HG       LEU  14  36.617   7.476   8.161
  134   HD11  LEU  14          HD11      LEU  14  38.681   8.788   8.713
  135   HD12  LEU  14          HD12      LEU  14  37.182   9.600   9.225
  136   HD13  LEU  14          HD13      LEU  14  38.035  10.144   7.760
  137   HD21  LEU  14          HD21      LEU  14  36.053   9.651   6.102
  138   HD22  LEU  14          HD22      LEU  14  35.268   9.639   7.699
  139   HD23  LEU  14          HD23      LEU  14  35.013   8.285   6.576
  140    H    LEU  15           HN       LEU  15  37.778   5.059   6.974
  141    HA   LEU  15           HA       LEU  15  35.236   3.606   7.022
  142    HB2  LEU  15           HB2      LEU  15  37.890   3.313   8.467
  143    HB3  LEU  15           HB1      LEU  15  36.501   2.280   8.856
  144    HG   LEU  15           HG       LEU  15  38.175   1.335   7.166
  145   HD11  LEU  15          HD11      LEU  15  35.412   1.588   5.916
  146   HD12  LEU  15          HD12      LEU  15  35.670   0.667   7.414
  147   HD13  LEU  15          HD13      LEU  15  36.515   0.198   5.924
  148   HD21  LEU  15          HD21      LEU  15  36.856   3.291   5.236
  149   HD22  LEU  15          HD22      LEU  15  38.186   2.160   4.907
  150   HD23  LEU  15          HD23      LEU  15  38.456   3.562   5.967
  Start of MODEL   20
    1    H1   LYS   1           HT1      LYS   1  18.533  12.084  -4.109
    2    H2   LYS   1           HT2      LYS   1  18.452  13.629  -4.812
    3    H3   LYS   1           HT3      LYS   1  17.399  13.211  -3.546
    4    HA   LYS   1           HA       LYS   1  19.956  14.340  -3.433
    5    HB2  LYS   1           HB2      LYS   1  17.888  13.520  -1.357
    6    HB3  LYS   1           HB1      LYS   1  19.332  14.499  -1.004
    7    HG2  LYS   1           HG2      LYS   1  18.596  16.204  -2.625
    8    HG3  LYS   1           HG1      LYS   1  17.169  15.221  -3.030
    9    HD2  LYS   1           HD2      LYS   1  16.278  15.454  -0.793
   10    HD3  LYS   1           HD1      LYS   1  17.783  16.212  -0.215
   11    HE2  LYS   1           HE2      LYS   1  17.400  18.097  -1.829
   12    HE3  LYS   1           HE1      LYS   1  15.839  17.362  -2.264
   13    HZ1  LYS   1           HZ1      LYS   1  16.024  17.508   0.536
   14    HZ2  LYS   1           HZ2      LYS   1  14.935  18.308  -0.494
   15    HZ3  LYS   1           HZ3      LYS   1  16.420  19.032  -0.093
   16    H    LYS   2           HN       LYS   2  20.991  12.229  -4.327
   17    HA   LYS   2           HA       LYS   2  21.371  10.082  -2.377
   18    HB2  LYS   2           HB2      LYS   2  23.064   9.266  -4.008
   19    HB3  LYS   2           HB1      LYS   2  21.496   9.614  -4.777
   20    HG2  LYS   2           HG2      LYS   2  22.358  11.854  -5.466
   21    HG3  LYS   2           HG1      LYS   2  23.938  11.445  -4.756
   22    HD2  LYS   2           HD2      LYS   2  24.221   9.590  -6.302
   23    HD3  LYS   2           HD1      LYS   2  22.569   9.806  -6.930
   24    HE2  LYS   2           HE2      LYS   2  23.151  12.019  -7.809
   25    HE3  LYS   2           HE1      LYS   2  24.781  11.899  -7.102
   26    HZ1  LYS   2           HZ1      LYS   2  24.421  11.273  -9.567
   27    HZ2  LYS   2           HZ2      LYS   2  23.804   9.814  -8.951
   28    HZ3  LYS   2           HZ3      LYS   2  25.400  10.279  -8.602
   29    H    LEU   3           HN       LEU   3  21.945  12.628  -1.257
   30    HA   LEU   3           HA       LEU   3  24.813  13.063  -1.235
   31    HB2  LEU   3           HB2      LEU   3  22.892  13.827   0.993
   32    HB3  LEU   3           HB1      LEU   3  24.386  14.650   0.482
   33    HG   LEU   3           HG       LEU   3  21.794  14.443  -1.115
   34   HD11  LEU   3          HD11      LEU   3  23.227  16.789   0.211
   35   HD12  LEU   3          HD12      LEU   3  21.703  16.048   0.756
   36   HD13  LEU   3          HD13      LEU   3  21.766  16.914  -0.797
   37   HD21  LEU   3          HD21      LEU   3  23.075  16.117  -2.617
   38   HD22  LEU   3          HD22      LEU   3  23.577  14.414  -2.716
   39   HD23  LEU   3          HD23      LEU   3  24.546  15.576  -1.775
   40    H    LEU   4           HN       LEU   4  23.125  10.428  -0.352
   41    HA   LEU   4           HA       LEU   4  24.002   9.863   2.301
   42    HB2  LEU   4           HB2      LEU   4  23.641   7.822   0.080
   43    HB3  LEU   4           HB1      LEU   4  23.432   7.573   1.827
   44    HG   LEU   4           HG       LEU   4  21.721   9.364   0.045
   45   HD11  LEU   4          HD11      LEU   4  21.309   6.948  -0.254
   46   HD12  LEU   4          HD12      LEU   4  19.945   7.715   0.594
   47   HD13  LEU   4          HD13      LEU   4  21.132   6.751   1.506
   48   HD21  LEU   4          HD21      LEU   4  20.296   9.395   2.238
   49   HD22  LEU   4          HD22      LEU   4  21.734  10.435   2.170
   50   HD23  LEU   4          HD23      LEU   4  21.796   8.889   3.052
   51    HA   PRO   5           HA       PRO   5  28.408   9.172   2.225
   52    HB2  PRO   5           HB2      PRO   5  27.717   6.374   3.172
   53    HB3  PRO   5           HB1      PRO   5  28.992   7.489   3.760
   54    HG2  PRO   5           HG2      PRO   5  26.701   7.209   5.097
   55    HG3  PRO   5           HG1      PRO   5  27.475   8.815   4.922
   56    HD2  PRO   5           HD2      PRO   5  25.008   7.750   3.576
   57    HD3  PRO   5           HD1      PRO   5  25.459   9.439   3.977
   58    H    ILE   6           HN       ILE   6  28.223   9.242  -0.194
   59    HA   ILE   6           HA       ILE   6  29.314   6.727  -1.325
   60    HB   ILE   6           HB       ILE   6  26.949   8.071  -2.715
   61   HG12  ILE   6          HG12      ILE   6  27.024   5.554  -0.983
   62   HG13  ILE   6          HG11      ILE   6  26.086   7.032  -0.672
   63   HG21  ILE   6          HG21      ILE   6  28.179   5.318  -3.162
   64   HG22  ILE   6          HG22      ILE   6  28.746   6.766  -4.026
   65   HG23  ILE   6          HG23      ILE   6  27.071   6.211  -4.230
   66   HD11  ILE   6           HD1      ILE   6  25.661   4.938  -2.825
   67   HD12  ILE   6           HD2      ILE   6  24.993   6.579  -2.998
   68   HD13  ILE   6           HD3      ILE   6  24.500   5.555  -1.628
   69    H    VAL   7           HN       VAL   7  27.878   9.802  -2.517
   70    HA   VAL   7           HA       VAL   7  29.876  10.262  -4.457
   71    HB   VAL   7           HB       VAL   7  28.302  12.362  -2.962
   72   HG11  VAL   7          HG11      VAL   7  28.519  13.568  -5.193
   73   HG12  VAL   7          HG12      VAL   7  29.663  12.298  -5.690
   74   HG13  VAL   7          HG13      VAL   7  30.051  13.357  -4.312
   75   HG21  VAL   7          HG21      VAL   7  26.824  10.587  -3.875
   76   HG22  VAL   7          HG22      VAL   7  27.572  10.791  -5.477
   77   HG23  VAL   7          HG23      VAL   7  26.616  12.113  -4.766
   78    H    ALA   8           HN       ALA   8  29.675  10.837  -1.202
   79    HA   ALA   8           HA       ALA   8  31.938  12.670  -0.958
   80    HB1  ALA   8           HB1      ALA   8  30.055  12.592   0.670
   81    HB2  ALA   8           HB2      ALA   8  31.647  12.390   1.439
   82    HB3  ALA   8           HB3      ALA   8  30.597  10.976   1.179
   83    H    ASN   9           HN       ASN   9  31.381   9.185  -0.339
   84    HA   ASN   9           HA       ASN   9  33.882   8.503   0.726
   85    HB2  ASN   9           HB2      ASN   9  32.095   6.975  -1.204
   86    HB3  ASN   9           HB1      ASN   9  33.510   6.259  -0.395
   87   HD21  ASN   9          HD21      ASN   9  30.594   8.257   0.504
   88   HD22  ASN   9          HD22      ASN   9  30.281   7.358   1.994
   89    H    LEU  10           HN       LEU  10  33.074   9.549  -2.494
   90    HA   LEU  10           HA       LEU  10  35.449   8.461  -3.772
   91    HB2  LEU  10           HB2      LEU  10  33.143   9.299  -4.778
   92    HB3  LEU  10           HB1      LEU  10  33.937  10.881  -4.794
   93    HG   LEU  10           HG       LEU  10  34.304   9.923  -6.954
   94   HD11  LEU  10          HD11      LEU  10  36.697   9.870  -7.113
   95   HD12  LEU  10          HD12      LEU  10  36.874   9.341  -5.426
   96   HD13  LEU  10          HD13      LEU  10  36.292  10.982  -5.789
   97   HD21  LEU  10          HD21      LEU  10  33.850   7.490  -6.043
   98   HD22  LEU  10          HD22      LEU  10  35.612   7.420  -5.821
   99   HD23  LEU  10          HD23      LEU  10  34.932   7.704  -7.434
  100    H    LEU  11           HN       LEU  11  34.464  11.810  -2.901
  101    HA   LEU  11           HA       LEU  11  37.057  12.940  -3.375
  102    HB2  LEU  11           HB2      LEU  11  34.630  13.806  -1.770
  103    HB3  LEU  11           HB1      LEU  11  36.119  14.778  -1.768
  104    HG   LEU  11           HG       LEU  11  36.028  15.015  -4.199
  105   HD11  LEU  11          HD11      LEU  11  35.137  12.928  -4.948
  106   HD12  LEU  11          HD12      LEU  11  33.900  14.132  -5.370
  107   HD13  LEU  11          HD13      LEU  11  33.678  13.095  -3.941
  108   HD21  LEU  11          HD21      LEU  11  33.298  15.523  -2.927
  109   HD22  LEU  11          HD22      LEU  11  33.937  16.327  -4.381
  110   HD23  LEU  11          HD23      LEU  11  34.711  16.597  -2.801
  111    H    LYS  12           HN       LYS  12  35.522  12.855  -0.146
  112    HA   LYS  12           HA       LYS  12  37.874  13.051   1.345
  113    HB2  LYS  12           HB2      LYS  12  35.402  11.432   2.078
  114    HB3  LYS  12           HB1      LYS  12  36.613  12.079   3.211
  115    HG2  LYS  12           HG2      LYS  12  36.078  14.383   2.474
  116    HG3  LYS  12           HG1      LYS  12  34.864  13.740   1.342
  117    HD2  LYS  12           HD2      LYS  12  33.532  12.853   3.162
  118    HD3  LYS  12           HD1      LYS  12  34.805  13.236   4.347
  119    HE2  LYS  12           HE2      LYS  12  34.507  15.618   4.001
  120    HE3  LYS  12           HE1      LYS  12  33.397  15.331   2.639
  121    HZ1  LYS  12           HZ1      LYS  12  32.610  13.981   5.054
  122    HZ2  LYS  12           HZ2      LYS  12  31.702  14.979   4.022
  123    HZ3  LYS  12           HZ3      LYS  12  32.669  15.666   5.238
  124    H    SER  13           HN       SER  13  36.093   9.946   1.054
  125    HA   SER  13           HA       SER  13  36.888   7.768   1.015
  126    HB2  SER  13           HB2      SER  13  37.870   8.674  -1.154
  127    HB3  SER  13           HB1      SER  13  39.392   8.916  -0.269
  128    HG   SER  13           HG       SER  13  39.223   6.857  -1.343
  129    H    LEU  14           HN       LEU  14  37.182   7.165   3.097
  130    HA   LEU  14           HA       LEU  14  39.317   8.182   4.756
  131    HB2  LEU  14           HB2      LEU  14  37.431   5.809   4.943
  132    HB3  LEU  14           HB1      LEU  14  38.694   6.086   6.164
  133    HG   LEU  14           HG       LEU  14  37.786   8.357   6.586
  134   HD11  LEU  14          HD11      LEU  14  36.791   9.015   4.529
  135   HD12  LEU  14          HD12      LEU  14  35.405   8.759   5.610
  136   HD13  LEU  14          HD13      LEU  14  35.834   7.520   4.407
  137   HD21  LEU  14          HD21      LEU  14  35.699   6.132   6.720
  138   HD22  LEU  14          HD22      LEU  14  35.689   7.623   7.693
  139   HD23  LEU  14          HD23      LEU  14  36.985   6.423   7.916
  140    H    LEU  15           HN       LEU  15  38.874   5.204   2.832
  141    HA   LEU  15           HA       LEU  15  41.497   4.147   3.595
  142    HB2  LEU  15           HB2      LEU  15  39.843   3.272   1.204
  143    HB3  LEU  15           HB1      LEU  15  40.964   2.309   2.195
  144    HG   LEU  15           HG       LEU  15  38.278   3.454   3.082
  145   HD11  LEU  15          HD11      LEU  15  37.563   1.144   3.175
  146   HD12  LEU  15          HD12      LEU  15  39.210   0.563   2.837
  147   HD13  LEU  15          HD13      LEU  15  38.289   1.413   1.573
  148   HD21  LEU  15          HD21      LEU  15  40.494   1.995   4.583
  149   HD22  LEU  15          HD22      LEU  15  38.810   2.012   5.162
  150   HD23  LEU  15          HD23      LEU  15  39.710   3.538   5.003