*HEADER    ANTIMICROBIAL PROTEIN                   12-MAY-18   6GIK              
*TITLE     NMR STRUCTURE OF TEMPORIN B L1FK IN SDS MICELLES                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TEMPORINB_L1FK;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: ANALOGUE OF THE ANTIMICROBIAL PEPTIDE TEMPORIN B      
*COMPND   6 OBTAINED FROM A COMPUTATIONAL STATISTICAL MODEL DESIGNED TO PREDICT  
*COMPND   7 THE TOXICITY OF THE PEPTIDE AS WELL AS THE ANTIMICROBIAL ACTIVITY.   
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630;                                               
*SOURCE   5 OTHER_DETAILS: ANALOGUE OF TEMPORIN B PEPTIDE FROM RANA TEMPORARY    
*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 6GIK    0                                                
# Restraints file 1: TBL-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    3 PRO  HA      A    5 VAL   HN     A    0.000   5.000 100.0 1.0 1.0
   2  1    3 PRO  HA      A    4 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
   3  1    1 PHE  HA      A    2 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
   4  1    7 LEU  HA      A    9 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
   5  1    7 LEU  HA      A    8 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
   6  1    8 LEU  HA      A    9 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
   8  1    9 LYS  HA      A   10 SER   HN     A    0.000   3.300 100.0 1.0 1.0
  10  1   11 LEU  HA      A   12 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  10  4   11 LEU  HA      A   11 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  10  5   12 LEU  HA      A   12 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  11  1    6 GLY  HA1     A   10 SER   HN     A    0.000   3.300 100.0 1.0 1.0
  11  2    6 GLY  HA2     A   10 SER   HN     A    0.000   3.300 100.0 1.0 1.0
  12  1    5 VAL  HA      A    6 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  13  1    5 VAL  HA      A    9 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  14  1    5 VAL  HA      A    8 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  15  1    5 VAL  HA      A   11 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  16  1    1 PHE  HB1     A    2 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  16  1    1 PHE  HB2     A    2 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  17  1    5 VAL  HB      A    6 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  18  1    3 PRO  HB1     A    4 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  18  2    3 PRO  HB2     A    4 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  19  1    4 ILE  HB      A    5 VAL   HN     A    0.000   3.300 100.0 1.0 1.0
  20  1    7 LEU  HB1     A    8 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
  20  1    7 LEU  HB2     A    8 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
  21  1    9 LYS  HN      A    8 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
  22  1    9 LYS  HN      A   10 SER   HN     A    0.000   2.700 100.0 1.0 1.0
  23  1    8 LEU  HN      A    5 VAL   HN     A    0.000   2.700 100.0 1.0 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  34.063   9.958 -11.214
    2    H2   PHE   1           HT2      PHE   1  33.991  11.170 -10.025
    3    H3   PHE   1           HT3      PHE   1  32.584  10.327 -10.472
    4    HA   PHE   1           HA       PHE   1  33.076   8.518  -9.293
    5    HB2  PHE   1           HB2      PHE   1  35.181   8.151 -10.605
    6    HB3  PHE   1           HB1      PHE   1  36.025   9.247  -9.484
    7    HD1  PHE   1           HD1      PHE   1  36.777   8.471  -7.347
    8    HD2  PHE   1           HD2      PHE   1  34.038   6.070  -9.664
    9    HE1  PHE   1           HE1      PHE   1  37.079   6.583  -5.750
   10    HE2  PHE   1           HE2      PHE   1  34.342   4.183  -8.066
   11    HZ   PHE   1           HZ       PHE   1  35.927   4.412  -6.158
   12    H    LEU   2           HN       LEU   2  31.916   9.887  -7.796
   13    HA   LEU   2           HA       LEU   2  33.552  10.430  -5.398
   14    HB2  LEU   2           HB2      LEU   2  32.607  12.738  -5.137
   15    HB3  LEU   2           HB1      LEU   2  33.781  12.587  -6.461
   16    HG   LEU   2           HG       LEU   2  30.849  12.170  -7.133
   17   HD11  LEU   2          HD11      LEU   2  30.811  14.196  -5.718
   18   HD12  LEU   2          HD12      LEU   2  30.517  14.604  -7.426
   19   HD13  LEU   2          HD13      LEU   2  32.113  14.912  -6.699
   20   HD21  LEU   2          HD21      LEU   2  33.203  13.524  -8.539
   21   HD22  LEU   2          HD22      LEU   2  31.564  13.380  -9.212
   22   HD23  LEU   2          HD23      LEU   2  32.531  11.921  -8.913
   23    HA   PRO   3           HA       PRO   3  29.115   9.060  -4.770
   24    HB2  PRO   3           HB2      PRO   3  29.480   6.476  -4.033
   25    HB3  PRO   3           HB1      PRO   3  29.481   6.962  -5.761
   26    HG2  PRO   3           HG2      PRO   3  31.819   6.437  -3.933
   27    HG3  PRO   3           HG1      PRO   3  31.553   5.893  -5.620
   28    HD2  PRO   3           HD2      PRO   3  33.099   8.105  -4.962
   29    HD3  PRO   3           HD1      PRO   3  32.233   7.934  -6.524
   30    H    ILE   4           HN       ILE   4  29.259  10.573  -2.997
   31    HA   ILE   4           HA       ILE   4  30.650   9.854  -0.548
   32    HB   ILE   4           HB       ILE   4  28.335  11.815  -0.843
   33   HG12  ILE   4          HG12      ILE   4  30.329  12.155  -2.488
   34   HG13  ILE   4          HG11      ILE   4  29.837  13.533  -1.489
   35   HG21  ILE   4          HG21      ILE   4  29.588  12.941   1.071
   36   HG22  ILE   4          HG22      ILE   4  30.583  11.469   1.179
   37   HG23  ILE   4          HG23      ILE   4  28.828  11.381   1.460
   38   HD11  ILE   4           HD1      ILE   4  32.094  11.643  -0.693
   39   HD12  ILE   4           HD2      ILE   4  31.695  13.222   0.017
   40   HD13  ILE   4           HD3      ILE   4  32.351  13.127  -1.633
   41    H    VAL   5           HN       VAL   5  27.237   9.804  -1.615
   42    HA   VAL   5           HA       VAL   5  25.487   8.493  -0.922
   43    HB   VAL   5           HB       VAL   5  27.312   6.954   0.957
   44   HG11  VAL   5          HG11      VAL   5  24.753   6.270  -0.556
   45   HG12  VAL   5          HG12      VAL   5  24.917   6.500   1.199
   46   HG13  VAL   5          HG13      VAL   5  25.695   5.112   0.411
   47   HG21  VAL   5          HG21      VAL   5  28.473   6.832  -1.144
   48   HG22  VAL   5          HG22      VAL   5  26.953   6.718  -2.061
   49   HG23  VAL   5          HG23      VAL   5  27.504   5.347  -1.070
   50    H    GLY   6           HN       GLY   6  27.444  10.251   1.079
   51    HA2  GLY   6           HA1      GLY   6  25.518  10.241   3.368
   52    HA3  GLY   6           HA2      GLY   6  27.157  10.931   3.374
   53    H    LEU   7           HN       LEU   7  25.961  11.669   0.454
   54    HA   LEU   7           HA       LEU   7  24.430  14.065   1.252
   55    HB2  LEU   7           HB2      LEU   7  26.910  14.651   1.125
   56    HB3  LEU   7           HB1      LEU   7  26.818  14.201  -0.593
   57    HG   LEU   7           HG       LEU   7  24.797  15.918  -0.673
   58   HD11  LEU   7          HD11      LEU   7  25.156  17.825   0.926
   59   HD12  LEU   7          HD12      LEU   7  26.312  16.816   1.823
   60   HD13  LEU   7          HD13      LEU   7  24.600  16.342   1.732
   61   HD21  LEU   7          HD21      LEU   7  26.929  16.249  -1.858
   62   HD22  LEU   7          HD22      LEU   7  27.695  16.823  -0.357
   63   HD23  LEU   7          HD23      LEU   7  26.399  17.777  -1.117
   64    H    LEU   8           HN       LEU   8  25.536  11.759  -0.851
   65    HA   LEU   8           HA       LEU   8  23.776  12.558  -3.113
   66    HB2  LEU   8           HB2      LEU   8  26.207  11.585  -3.279
   67    HB3  LEU   8           HB1      LEU   8  25.434  10.019  -2.959
   68    HG   LEU   8           HG       LEU   8  23.788  10.736  -4.923
   69   HD11  LEU   8          HD11      LEU   8  25.026  12.070  -6.672
   70   HD12  LEU   8          HD12      LEU   8  26.243  12.476  -5.443
   71   HD13  LEU   8          HD13      LEU   8  24.563  13.027  -5.249
   72   HD21  LEU   8          HD21      LEU   8  25.364   8.827  -5.015
   73   HD22  LEU   8          HD22      LEU   8  26.684   9.937  -5.456
   74   HD23  LEU   8          HD23      LEU   8  25.317   9.692  -6.569
   75    H    LYS   9           HN       LYS   9  23.455  10.996  -0.223
   76    HA   LYS   9           HA       LYS   9  20.888   9.891  -0.939
   77    HB2  LYS   9           HB2      LYS   9  22.448   8.126  -1.858
   78    HB3  LYS   9           HB1      LYS   9  23.027   7.861  -0.197
   79    HG2  LYS   9           HG2      LYS   9  20.876   7.100   0.542
   80    HG3  LYS   9           HG1      LYS   9  20.076   7.687  -0.936
   81    HD2  LYS   9           HD2      LYS   9  21.271   6.024  -2.285
   82    HD3  LYS   9           HD1      LYS   9  22.179   5.479  -0.854
   83    HE2  LYS   9           HE2      LYS   9  20.301   3.951  -1.278
   84    HE3  LYS   9           HE1      LYS   9  20.024   4.842   0.237
   85    HZ1  LYS   9           HZ1      LYS   9  19.008   6.223  -2.062
   86    HZ2  LYS   9           HZ2      LYS   9  18.228   5.817  -0.609
   87    HZ3  LYS   9           HZ3      LYS   9  18.304   4.691  -1.879
   88    H    SER  10           HN       SER  10  23.219  10.997   1.123
   89    HA   SER  10           HA       SER  10  23.351  11.262   3.433
   90    HB2  SER  10           HB2      SER  10  20.328  11.253   3.094
   91    HB3  SER  10           HB1      SER  10  21.203  11.857   4.519
   92    HG   SER  10           HG       SER  10  20.747  13.045   2.123
   93    H    LEU  11           HN       LEU  11  24.174   8.942   3.396
   94    HA   LEU  11           HA       LEU  11  22.513   6.759   4.122
   95    HB2  LEU  11           HB2      LEU  11  25.128   7.007   3.508
   96    HB3  LEU  11           HB1      LEU  11  25.303   6.947   5.274
   97    HG   LEU  11           HG       LEU  11  23.849   4.880   3.555
   98   HD11  LEU  11          HD11      LEU  11  25.752   3.415   4.165
   99   HD12  LEU  11          HD12      LEU  11  26.512   4.765   5.042
  100   HD13  LEU  11          HD13      LEU  11  26.311   4.852   3.275
  101   HD21  LEU  11          HD21      LEU  11  24.008   3.577   5.798
  102   HD22  LEU  11          HD22      LEU  11  22.794   4.871   5.694
  103   HD23  LEU  11          HD23      LEU  11  24.329   5.159   6.550
  104    H    LEU  12           HN       LEU  12  24.333   9.079   6.159
  105    HA   LEU  12           HA       LEU  12  22.578   8.285   8.486
  106    HB2  LEU  12           HB2      LEU  12  25.158   7.681   8.473
  107    HB3  LEU  12           HB1      LEU  12  25.377   9.405   8.838
  108    HG   LEU  12           HG       LEU  12  23.638   7.465  10.436
  109   HD11  LEU  12          HD11      LEU  12  26.351   8.720  11.048
  110   HD12  LEU  12          HD12      LEU  12  26.056   7.006  10.665
  111   HD13  LEU  12          HD13      LEU  12  25.402   7.710  12.164
  112   HD21  LEU  12          HD21      LEU  12  23.799   9.466  12.109
  113   HD22  LEU  12          HD22      LEU  12  22.688   9.625  10.732
  114   HD23  LEU  12          HD23      LEU  12  24.275  10.432  10.691
  115    H    LYS  13           HN       LYS  13  24.821  10.896   7.401
  116    HA   LYS  13           HA       LYS  13  23.745  12.977   8.936
  117    HB2  LYS  13           HB2      LYS  13  24.670  13.270   6.054
  118    HB3  LYS  13           HB1      LYS  13  24.719  14.499   7.341
  119    HG2  LYS  13           HG2      LYS  13  26.234  12.911   8.645
  120    HG3  LYS  13           HG1      LYS  13  26.335  11.923   7.166
  121    HD2  LYS  13           HD2      LYS  13  27.124  13.978   5.929
  122    HD3  LYS  13           HD1      LYS  13  27.183  14.834   7.489
  123    HE2  LYS  13           HE2      LYS  13  28.713  12.283   6.813
  124    HE3  LYS  13           HE1      LYS  13  29.409  13.920   6.875
  125    HZ1  LYS  13           HZ1      LYS  13  29.654  12.516   8.941
  126    HZ2  LYS  13           HZ2      LYS  13  27.982  12.703   9.177
  127    HZ3  LYS  13           HZ3      LYS  13  29.000  14.063   9.172
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  33.217   7.562 -11.698
    2    H2   PHE   1           HT2      PHE   1  33.924   6.598 -10.491
    3    H3   PHE   1           HT3      PHE   1  34.842   7.792 -11.276
    4    HA   PHE   1           HA       PHE   1  34.392   8.966  -9.467
    5    HB2  PHE   1           HB2      PHE   1  31.674   9.230 -10.802
    6    HB3  PHE   1           HB1      PHE   1  32.543  10.449  -9.839
    7    HD1  PHE   1           HD1      PHE   1  34.488  11.641 -10.759
    8    HD2  PHE   1           HD2      PHE   1  32.350   8.714 -13.101
    9    HE1  PHE   1           HE1      PHE   1  35.620  12.463 -12.821
   10    HE2  PHE   1           HE2      PHE   1  33.483   9.535 -15.164
   11    HZ   PHE   1           HZ       PHE   1  35.092  11.433 -15.029
   12    H    LEU   2           HN       LEU   2  34.313   7.903  -7.564
   13    HA   LEU   2           HA       LEU   2  32.159   6.086  -6.892
   14    HB2  LEU   2           HB2      LEU   2  34.035   7.438  -4.921
   15    HB3  LEU   2           HB1      LEU   2  33.267   5.839  -4.794
   16    HG   LEU   2           HG       LEU   2  35.420   6.670  -6.788
   17   HD11  LEU   2          HD11      LEU   2  36.106   6.221  -4.391
   18   HD12  LEU   2          HD12      LEU   2  36.830   5.110  -5.578
   19   HD13  LEU   2          HD13      LEU   2  35.461   4.573  -4.576
   20   HD21  LEU   2          HD21      LEU   2  35.331   4.125  -7.302
   21   HD22  LEU   2          HD22      LEU   2  34.023   5.130  -7.964
   22   HD23  LEU   2          HD23      LEU   2  33.737   4.145  -6.508
   23    HA   PRO   3           HA       PRO   3  29.262   9.109  -5.358
   24    HB2  PRO   3           HB2      PRO   3  27.685   7.610  -3.714
   25    HB3  PRO   3           HB1      PRO   3  27.694   7.371  -5.491
   26    HG2  PRO   3           HG2      PRO   3  29.148   5.816  -3.357
   27    HG3  PRO   3           HG1      PRO   3  28.207   5.211  -4.757
   28    HD2  PRO   3           HD2      PRO   3  30.952   5.403  -4.797
   29    HD3  PRO   3           HD1      PRO   3  29.947   5.607  -6.270
   30    H    ILE   4           HN       ILE   4  28.955  10.524  -3.629
   31    HA   ILE   4           HA       ILE   4  31.001  10.434  -1.561
   32    HB   ILE   4           HB       ILE   4  28.554  12.248  -1.567
   33   HG12  ILE   4          HG12      ILE   4  31.181  12.572  -3.093
   34   HG13  ILE   4          HG11      ILE   4  29.584  12.286  -3.822
   35   HG21  ILE   4          HG21      ILE   4  30.206  12.127   0.407
   36   HG22  ILE   4          HG22      ILE   4  29.939  13.734  -0.306
   37   HG23  ILE   4          HG23      ILE   4  31.415  12.819  -0.699
   38   HD11  ILE   4           HD1      ILE   4  29.879  14.637  -3.977
   39   HD12  ILE   4           HD2      ILE   4  30.573  14.747  -2.344
   40   HD13  ILE   4           HD3      ILE   4  28.833  14.431  -2.552
   41    H    VAL   5           HN       VAL   5  27.422  10.080  -1.587
   42    HA   VAL   5           HA       VAL   5  26.058   8.909  -0.144
   43    HB   VAL   5           HB       VAL   5  28.383   8.001   1.594
   44   HG11  VAL   5          HG11      VAL   5  25.747   6.733   0.723
   45   HG12  VAL   5          HG12      VAL   5  26.107   7.440   2.314
   46   HG13  VAL   5          HG13      VAL   5  26.947   5.967   1.791
   47   HG21  VAL   5          HG21      VAL   5  29.345   7.320  -0.449
   48   HG22  VAL   5          HG22      VAL   5  27.770   7.166  -1.260
   49   HG23  VAL   5          HG23      VAL   5  28.310   5.922  -0.111
   50    H    GLY   6           HN       GLY   6  25.292   9.029   2.139
   51    HA2  GLY   6           HA1      GLY   6  24.683  10.448   3.869
   52    HA3  GLY   6           HA2      GLY   6  26.428  10.695   4.101
   53    H    LEU   7           HN       LEU   7  25.371  11.465   0.982
   54    HA   LEU   7           HA       LEU   7  24.527  14.172   1.476
   55    HB2  LEU   7           HB2      LEU   7  26.913  14.512   1.882
   56    HB3  LEU   7           HB1      LEU   7  27.289  13.652   0.372
   57    HG   LEU   7           HG       LEU   7  26.259  15.425  -0.959
   58   HD11  LEU   7          HD11      LEU   7  25.384  16.464   1.764
   59   HD12  LEU   7          HD12      LEU   7  24.401  16.194   0.304
   60   HD13  LEU   7          HD13      LEU   7  25.532  17.563   0.371
   61   HD21  LEU   7          HD21      LEU   7  27.777  17.291  -0.373
   62   HD22  LEU   7          HD22      LEU   7  28.609  15.725  -0.234
   63   HD23  LEU   7          HD23      LEU   7  28.051  16.569   1.230
   64    H    LEU   8           HN       LEU   8  25.564  11.655  -0.415
   65    HA   LEU   8           HA       LEU   8  24.108  12.684  -2.848
   66    HB2  LEU   8           HB2      LEU   8  26.635  11.959  -2.895
   67    HB3  LEU   8           HB1      LEU   8  25.994  10.305  -2.831
   68    HG   LEU   8           HG       LEU   8  24.440  11.149  -4.839
   69   HD11  LEU   8          HD11      LEU   8  26.819  13.058  -4.970
   70   HD12  LEU   8          HD12      LEU   8  25.108  13.512  -4.782
   71   HD13  LEU   8          HD13      LEU   8  25.671  12.773  -6.297
   72   HD21  LEU   8          HD21      LEU   8  26.163  10.402  -6.451
   73   HD22  LEU   8          HD22      LEU   8  26.155   9.363  -5.006
   74   HD23  LEU   8          HD23      LEU   8  27.420  10.599  -5.208
   75    H    LYS   9           HN       LYS   9  23.531  10.910  -0.166
   76    HA   LYS   9           HA       LYS   9  21.313   9.516  -1.424
   77    HB2  LYS   9           HB2      LYS   9  23.364   8.017  -1.852
   78    HB3  LYS   9           HB1      LYS   9  23.377   7.733  -0.096
   79    HG2  LYS   9           HG2      LYS   9  21.112   6.818  -0.176
   80    HG3  LYS   9           HG1      LYS   9  20.968   7.231  -1.901
   81    HD2  LYS   9           HD2      LYS   9  22.950   5.731  -2.352
   82    HD3  LYS   9           HD1      LYS   9  22.882   5.220  -0.648
   83    HE2  LYS   9           HE2      LYS   9  20.574   4.414  -0.959
   84    HE3  LYS   9           HE1      LYS   9  20.595   4.965  -2.652
   85    HZ1  LYS   9           HZ1      LYS   9  21.122   2.695  -2.716
   86    HZ2  LYS   9           HZ2      LYS   9  22.195   2.799  -1.403
   87    HZ3  LYS   9           HZ3      LYS   9  22.613   3.481  -2.902
   88    H    SER  10           HN       SER  10  22.922  10.894   1.112
   89    HA   SER  10           HA       SER  10  22.463  11.117   3.393
   90    HB2  SER  10           HB2      SER  10  19.593  10.755   2.467
   91    HB3  SER  10           HB1      SER  10  20.166  11.656   3.889
   92    HG   SER  10           HG       SER  10  21.488  12.772   2.075
   93    H    LEU  11           HN       LEU  11  23.460   9.096   3.993
   94    HA   LEU  11           HA       LEU  11  21.953   6.655   4.135
   95    HB2  LEU  11           HB2      LEU  11  24.553   7.156   4.306
   96    HB3  LEU  11           HB1      LEU  11  24.221   7.297   6.040
   97    HG   LEU  11           HG       LEU  11  24.883   5.028   5.659
   98   HD11  LEU  11          HD11      LEU  11  21.841   4.926   5.733
   99   HD12  LEU  11          HD12      LEU  11  22.845   5.435   7.110
  100   HD13  LEU  11          HD13      LEU  11  22.995   3.788   6.461
  101   HD21  LEU  11          HD21      LEU  11  22.694   4.541   3.601
  102   HD22  LEU  11          HD22      LEU  11  24.180   3.622   3.905
  103   HD23  LEU  11          HD23      LEU  11  24.267   5.198   3.095
  104    H    LEU  12           HN       LEU  12  22.963   8.922   6.739
  105    HA   LEU  12           HA       LEU  12  21.533   7.796   8.860
  106    HB2  LEU  12           HB2      LEU  12  21.691  10.794   8.382
  107    HB3  LEU  12           HB1      LEU  12  21.641   9.932   9.937
  108    HG   LEU  12           HG       LEU  12  23.911   9.913   7.899
  109   HD11  LEU  12          HD11      LEU  12  23.758  10.861  10.794
  110   HD12  LEU  12          HD12      LEU  12  23.720  11.921   9.364
  111   HD13  LEU  12          HD13      LEU  12  25.177  10.965   9.725
  112   HD21  LEU  12          HD21      LEU  12  23.880   7.691   8.776
  113   HD22  LEU  12          HD22      LEU  12  23.406   8.246  10.400
  114   HD23  LEU  12          HD23      LEU  12  25.054   8.549   9.798
  115    H    LYS  13           HN       LYS  13  20.313  10.706   7.151
  116    HA   LYS  13           HA       LYS  13  17.608  10.240   8.030
  117    HB2  LYS  13           HB2      LYS  13  18.558  11.914   5.675
  118    HB3  LYS  13           HB1      LYS  13  17.019  12.079   6.555
  119    HG2  LYS  13           HG2      LYS  13  18.441  12.464   8.670
  120    HG3  LYS  13           HG1      LYS  13  19.832  12.643   7.575
  121    HD2  LYS  13           HD2      LYS  13  17.272  14.306   7.538
  122    HD3  LYS  13           HD1      LYS  13  18.877  14.851   8.079
  123    HE2  LYS  13           HE2      LYS  13  17.962  14.161   5.267
  124    HE3  LYS  13           HE1      LYS  13  18.703  15.667   5.856
  125    HZ1  LYS  13           HZ1      LYS  13  20.343  14.418   4.678
  126    HZ2  LYS  13           HZ2      LYS  13  20.019  13.011   5.574
  127    HZ3  LYS  13           HZ3      LYS  13  20.737  14.354   6.326
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  33.418   4.482  -5.883
    2    H2   PHE   1           HT2      PHE   1  32.645   3.042  -5.419
    3    H3   PHE   1           HT3      PHE   1  34.341   3.125  -5.462
    4    HA   PHE   1           HA       PHE   1  32.514   3.877  -3.418
    5    HB2  PHE   1           HB2      PHE   1  35.548   3.620  -3.475
    6    HB3  PHE   1           HB1      PHE   1  34.503   3.606  -2.034
    7    HD1  PHE   1           HD1      PHE   1  35.653   1.696  -4.979
    8    HD2  PHE   1           HD2      PHE   1  33.023   1.689  -1.557
    9    HE1  PHE   1           HE1      PHE   1  35.314  -0.758  -5.245
   10    HE2  PHE   1           HE2      PHE   1  32.686  -0.766  -1.822
   11    HZ   PHE   1           HZ       PHE   1  33.881  -1.999  -3.627
   12    H    LEU   2           HN       LEU   2  33.806   5.713  -5.812
   13    HA   LEU   2           HA       LEU   2  34.965   7.887  -4.316
   14    HB2  LEU   2           HB2      LEU   2  34.856   7.224  -6.972
   15    HB3  LEU   2           HB1      LEU   2  33.624   8.501  -6.937
   16    HG   LEU   2           HG       LEU   2  36.489   8.767  -5.911
   17   HD11  LEU   2          HD11      LEU   2  36.270   8.619  -8.396
   18   HD12  LEU   2          HD12      LEU   2  36.802  10.233  -7.861
   19   HD13  LEU   2          HD13      LEU   2  35.112   9.969  -8.355
   20   HD21  LEU   2          HD21      LEU   2  35.111  10.235  -4.613
   21   HD22  LEU   2          HD22      LEU   2  34.107  10.666  -6.018
   22   HD23  LEU   2          HD23      LEU   2  35.784  11.257  -5.904
   23    HA   PRO   3           HA       PRO   3  30.379   9.678  -4.876
   24    HB2  PRO   3           HB2      PRO   3  28.973   7.094  -4.191
   25    HB3  PRO   3           HB1      PRO   3  28.471   8.403  -5.309
   26    HG2  PRO   3           HG2      PRO   3  29.424   6.107  -6.261
   27    HG3  PRO   3           HG1      PRO   3  29.893   7.666  -7.010
   28    HD2  PRO   3           HD2      PRO   3  31.479   5.915  -5.117
   29    HD3  PRO   3           HD1      PRO   3  32.037   6.824  -6.560
   30    H    ILE   4           HN       ILE   4  29.477  10.651  -3.077
   31    HA   ILE   4           HA       ILE   4  30.651   9.937  -0.512
   32    HB   ILE   4           HB       ILE   4  28.326  11.858  -0.944
   33   HG12  ILE   4          HG12      ILE   4  31.318  12.349  -1.317
   34   HG13  ILE   4          HG11      ILE   4  30.090  12.366  -2.602
   35   HG21  ILE   4          HG21      ILE   4  30.666  12.021   0.997
   36   HG22  ILE   4          HG22      ILE   4  29.157  11.168   1.397
   37   HG23  ILE   4          HG23      ILE   4  29.127  12.912   1.050
   38   HD11  ILE   4           HD1      ILE   4  30.381  14.658  -2.052
   39   HD12  ILE   4           HD2      ILE   4  30.451  14.321  -0.308
   40   HD13  ILE   4           HD3      ILE   4  28.903  14.194  -1.179
   41    H    VAL   5           HN       VAL   5  27.251  10.093  -1.690
   42    HA   VAL   5           HA       VAL   5  25.444   8.774  -1.172
   43    HB   VAL   5           HB       VAL   5  27.144   6.989   0.609
   44   HG11  VAL   5          HG11      VAL   5  25.453   5.290  -0.109
   45   HG12  VAL   5          HG12      VAL   5  24.607   6.556  -1.031
   46   HG13  VAL   5          HG13      VAL   5  24.713   6.665   0.742
   47   HG21  VAL   5          HG21      VAL   5  26.892   7.054  -2.428
   48   HG22  VAL   5          HG22      VAL   5  27.282   5.548  -1.566
   49   HG23  VAL   5          HG23      VAL   5  28.371   6.943  -1.446
   50    H    GLY   6           HN       GLY   6  27.462  10.253   0.986
   51    HA2  GLY   6           HA1      GLY   6  25.543  10.146   3.269
   52    HA3  GLY   6           HA2      GLY   6  27.184  10.834   3.291
   53    H    LEU   7           HN       LEU   7  25.815  11.664   0.426
   54    HA   LEU   7           HA       LEU   7  24.399  14.055   1.385
   55    HB2  LEU   7           HB2      LEU   7  27.031  14.342   0.949
   56    HB3  LEU   7           HB1      LEU   7  26.488  14.449  -0.731
   57    HG   LEU   7           HG       LEU   7  26.614  16.696   0.098
   58   HD11  LEU   7          HD11      LEU   7  24.414  17.507  -0.282
   59   HD12  LEU   7          HD12      LEU   7  23.658  16.030   0.354
   60   HD13  LEU   7          HD13      LEU   7  24.524  15.990  -1.200
   61   HD21  LEU   7          HD21      LEU   7  24.725  16.092   2.409
   62   HD22  LEU   7          HD22      LEU   7  25.795  17.486   2.172
   63   HD23  LEU   7          HD23      LEU   7  26.484  15.903   2.584
   64    H    LEU   8           HN       LEU   8  25.376  11.875  -0.910
   65    HA   LEU   8           HA       LEU   8  23.424  12.754  -2.986
   66    HB2  LEU   8           HB2      LEU   8  25.172  10.268  -3.050
   67    HB3  LEU   8           HB1      LEU   8  24.443  11.143  -4.418
   68    HG   LEU   8           HG       LEU   8  26.647  12.160  -2.573
   69   HD11  LEU   8          HD11      LEU   8  28.047  12.052  -4.560
   70   HD12  LEU   8          HD12      LEU   8  26.654  11.596  -5.569
   71   HD13  LEU   8          HD13      LEU   8  27.271  10.467  -4.340
   72   HD21  LEU   8          HD21      LEU   8  26.649  14.077  -4.334
   73   HD22  LEU   8          HD22      LEU   8  25.354  14.089  -3.117
   74   HD23  LEU   8          HD23      LEU   8  25.019  13.507  -4.766
   75    H    LYS   9           HN       LYS   9  23.290  11.060  -0.157
   76    HA   LYS   9           HA       LYS   9  20.696   9.963  -0.770
   77    HB2  LYS   9           HB2      LYS   9  22.346   8.286  -1.858
   78    HB3  LYS   9           HB1      LYS   9  22.794   7.842  -0.195
   79    HG2  LYS   9           HG2      LYS   9  20.470   7.235   0.309
   80    HG3  LYS   9           HG1      LYS   9  19.947   7.788  -1.299
   81    HD2  LYS   9           HD2      LYS   9  21.315   6.071  -2.381
   82    HD3  LYS   9           HD1      LYS   9  21.966   5.557  -0.806
   83    HE2  LYS   9           HE2      LYS   9  20.113   4.074  -1.601
   84    HE3  LYS   9           HE1      LYS   9  19.725   4.882  -0.062
   85    HZ1  LYS   9           HZ1      LYS   9  18.470   6.538  -1.279
   86    HZ2  LYS   9           HZ2      LYS   9  17.887   4.985  -1.647
   87    HZ3  LYS   9           HZ3      LYS   9  18.870   5.813  -2.759
   88    H    SER  10           HN       SER  10  23.125  11.021   1.200
   89    HA   SER  10           HA       SER  10  23.387  11.189   3.503
   90    HB2  SER  10           HB2      SER  10  21.358  11.685   4.743
   91    HB3  SER  10           HB1      SER  10  21.233  12.409   3.124
   92    HG   SER  10           HG       SER  10  19.409  11.323   3.133
   93    H    LEU  11           HN       LEU  11  23.033   8.396   2.172
   94    HA   LEU  11           HA       LEU  11  23.082   6.204   2.901
   95    HB2  LEU  11           HB2      LEU  11  24.817   7.251   4.450
   96    HB3  LEU  11           HB1      LEU  11  23.542   7.343   5.681
   97    HG   LEU  11           HG       LEU  11  23.205   4.764   5.169
   98   HD11  LEU  11          HD11      LEU  11  26.027   5.281   4.119
   99   HD12  LEU  11          HD12      LEU  11  24.669   4.543   3.237
  100   HD13  LEU  11          HD13      LEU  11  25.423   3.679   4.595
  101   HD21  LEU  11          HD21      LEU  11  24.925   4.206   6.869
  102   HD22  LEU  11          HD22      LEU  11  24.029   5.678   7.314
  103   HD23  LEU  11          HD23      LEU  11  25.670   5.805   6.638
  104    H    LEU  12           HN       LEU  12  21.785   7.625   5.927
  105    HA   LEU  12           HA       LEU  12  19.066   6.701   5.306
  106    HB2  LEU  12           HB2      LEU  12  20.554   4.676   6.157
  107    HB3  LEU  12           HB1      LEU  12  20.331   5.425   7.752
  108    HG   LEU  12           HG       LEU  12  18.128   4.519   5.840
  109   HD11  LEU  12          HD11      LEU  12  19.391   2.752   7.136
  110   HD12  LEU  12          HD12      LEU  12  17.657   2.840   7.528
  111   HD13  LEU  12          HD13      LEU  12  18.858   3.548   8.636
  112   HD21  LEU  12          HD21      LEU  12  16.673   5.085   7.918
  113   HD22  LEU  12          HD22      LEU  12  17.254   6.450   6.939
  114   HD23  LEU  12          HD23      LEU  12  18.063   6.048   8.474
  115    H    LYS  13           HN       LYS  13  21.069   7.210   8.257
  116    HA   LYS  13           HA       LYS  13  19.010   8.807   9.517
  117    HB2  LYS  13           HB2      LYS  13  20.805   7.495  10.715
  118    HB3  LYS  13           HB1      LYS  13  21.976   8.726  10.183
  119    HG2  LYS  13           HG2      LYS  13  20.710  10.482  11.339
  120    HG3  LYS  13           HG1      LYS  13  19.458   9.305  11.804
  121    HD2  LYS  13           HD2      LYS  13  21.151   8.019  13.089
  122    HD3  LYS  13           HD1      LYS  13  22.389   9.219  12.645
  123    HE2  LYS  13           HE2      LYS  13  21.542   9.751  14.872
  124    HE3  LYS  13           HE1      LYS  13  20.980  10.997  13.730
  125    HZ1  LYS  13           HZ1      LYS  13  19.333   9.837  15.384
  126    HZ2  LYS  13           HZ2      LYS  13  19.291   8.634  14.185
  127    HZ3  LYS  13           HZ3      LYS  13  18.844  10.230  13.808
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  28.443   9.045 -11.458
    2    H2   PHE   1           HT2      PHE   1  28.013   9.336  -9.840
    3    H3   PHE   1           HT3      PHE   1  27.221   8.124 -10.730
    4    HA   PHE   1           HA       PHE   1  28.612   6.740  -9.773
    5    HB2  PHE   1           HB2      PHE   1  30.711   8.065 -11.524
    6    HB3  PHE   1           HB1      PHE   1  30.601   6.354 -11.041
    7    HD1  PHE   1           HD1      PHE   1  28.912   4.861 -12.041
    8    HD2  PHE   1           HD2      PHE   1  29.258   8.987 -13.261
    9    HE1  PHE   1           HE1      PHE   1  27.507   4.387 -14.044
   10    HE2  PHE   1           HE2      PHE   1  27.853   8.513 -15.264
   11    HZ   PHE   1           HZ       PHE   1  26.908   6.232 -15.607
   12    H    LEU   2           HN       LEU   2  30.677   6.351  -8.558
   13    HA   LEU   2           HA       LEU   2  31.927   6.905  -6.675
   14    HB2  LEU   2           HB2      LEU   2  32.392   9.595  -8.005
   15    HB3  LEU   2           HB1      LEU   2  33.494   8.669  -6.959
   16    HG   LEU   2           HG       LEU   2  32.580   7.879  -9.761
   17   HD11  LEU   2          HD11      LEU   2  35.278   8.768  -8.647
   18   HD12  LEU   2          HD12      LEU   2  34.228   9.714  -9.729
   19   HD13  LEU   2          HD13      LEU   2  34.985   8.212 -10.312
   20   HD21  LEU   2          HD21      LEU   2  32.880   5.840  -8.544
   21   HD22  LEU   2          HD22      LEU   2  34.287   6.479  -7.661
   22   HD23  LEU   2          HD23      LEU   2  34.420   6.093  -9.394
   23    HA   PRO   3           HA       PRO   3  28.603   9.686  -4.967
   24    HB2  PRO   3           HB2      PRO   3  27.158   7.895  -3.536
   25    HB3  PRO   3           HB1      PRO   3  26.947   8.060  -5.310
   26    HG2  PRO   3           HG2      PRO   3  28.506   6.002  -3.762
   27    HG3  PRO   3           HG1      PRO   3  27.430   5.785  -5.179
   28    HD2  PRO   3           HD2      PRO   3  30.216   5.948  -5.349
   29    HD3  PRO   3           HD1      PRO   3  29.105   6.355  -6.696
   30    H    ILE   4           HN       ILE   4  29.086  10.831  -3.185
   31    HA   ILE   4           HA       ILE   4  31.142   9.912  -1.362
   32    HB   ILE   4           HB       ILE   4  29.224  12.233  -0.882
   33   HG12  ILE   4          HG12      ILE   4  31.747  12.140  -2.603
   34   HG13  ILE   4          HG11      ILE   4  30.087  12.389  -3.191
   35   HG21  ILE   4          HG21      ILE   4  31.012  13.141   0.428
   36   HG22  ILE   4          HG22      ILE   4  32.185  11.967  -0.217
   37   HG23  ILE   4          HG23      ILE   4  30.906  11.430   0.897
   38   HD11  ILE   4           HD1      ILE   4  30.981  14.584  -3.049
   39   HD12  ILE   4           HD2      ILE   4  31.797  14.247  -1.505
   40   HD13  ILE   4           HD3      ILE   4  30.025  14.419  -1.558
   41    H    VAL   5           HN       VAL   5  27.625   9.891  -1.388
   42    HA   VAL   5           HA       VAL   5  26.153   8.750  -0.038
   43    HB   VAL   5           HB       VAL   5  28.314   7.882   1.914
   44   HG11  VAL   5          HG11      VAL   5  26.845   5.872   2.066
   45   HG12  VAL   5          HG12      VAL   5  25.750   6.604   0.869
   46   HG13  VAL   5          HG13      VAL   5  25.979   7.373   2.457
   47   HG21  VAL   5          HG21      VAL   5  28.345   5.741   0.272
   48   HG22  VAL   5          HG22      VAL   5  29.444   7.102  -0.001
   49   HG23  VAL   5          HG23      VAL   5  27.951   6.965  -0.955
   50    H    GLY   6           HN       GLY   6  25.200   8.964   2.130
   51    HA2  GLY   6           HA1      GLY   6  24.480  10.406   3.793
   52    HA3  GLY   6           HA2      GLY   6  26.201  10.707   4.116
   53    H    LEU   7           HN       LEU   7  25.642  11.430   0.911
   54    HA   LEU   7           HA       LEU   7  24.622  14.132   1.305
   55    HB2  LEU   7           HB2      LEU   7  27.434  13.567   0.379
   56    HB3  LEU   7           HB1      LEU   7  26.614  15.104   0.035
   57    HG   LEU   7           HG       LEU   7  27.110  13.973   2.830
   58   HD11  LEU   7          HD11      LEU   7  29.195  14.616   1.660
   59   HD12  LEU   7          HD12      LEU   7  28.827  15.738   2.993
   60   HD13  LEU   7          HD13      LEU   7  28.502  16.218   1.311
   61   HD21  LEU   7          HD21      LEU   7  26.617  16.555   3.309
   62   HD22  LEU   7          HD22      LEU   7  25.267  15.420   3.115
   63   HD23  LEU   7          HD23      LEU   7  25.746  16.469   1.759
   64    H    LEU   8           HN       LEU   8  25.704  11.589  -0.528
   65    HA   LEU   8           HA       LEU   8  24.256  12.581  -2.986
   66    HB2  LEU   8           HB2      LEU   8  26.599  10.707  -2.583
   67    HB3  LEU   8           HB1      LEU   8  25.601  10.559  -4.038
   68    HG   LEU   8           HG       LEU   8  27.702  12.028  -4.215
   69   HD11  LEU   8          HD11      LEU   8  26.693  13.546  -5.742
   70   HD12  LEU   8          HD12      LEU   8  25.147  13.549  -4.872
   71   HD13  LEU   8          HD13      LEU   8  25.658  12.104  -5.771
   72   HD21  LEU   8          HD21      LEU   8  27.223  13.132  -1.936
   73   HD22  LEU   8          HD22      LEU   8  26.019  14.123  -2.790
   74   HD23  LEU   8          HD23      LEU   8  27.731  14.202  -3.258
   75    H    LYS   9           HN       LYS   9  23.677  10.876  -0.294
   76    HA   LYS   9           HA       LYS   9  21.497   9.394  -1.540
   77    HB2  LYS   9           HB2      LYS   9  23.671   7.951  -1.793
   78    HB3  LYS   9           HB1      LYS   9  23.500   7.668  -0.046
   79    HG2  LYS   9           HG2      LYS   9  21.082   6.952  -0.536
   80    HG3  LYS   9           HG1      LYS   9  21.524   6.970  -2.258
   81    HD2  LYS   9           HD2      LYS   9  22.935   5.341  -0.097
   82    HD3  LYS   9           HD1      LYS   9  21.750   4.696  -1.256
   83    HE2  LYS   9           HE2      LYS   9  23.803   4.186  -2.296
   84    HE3  LYS   9           HE1      LYS   9  23.366   5.723  -3.079
   85    HZ1  LYS   9           HZ1      LYS   9  25.537   5.117  -1.278
   86    HZ2  LYS   9           HZ2      LYS   9  24.681   6.519  -0.848
   87    HZ3  LYS   9           HZ3      LYS   9  25.373   6.383  -2.394
   88    H    SER  10           HN       SER  10  22.978  11.023   0.921
   89    HA   SER  10           HA       SER  10  22.402  11.477   3.124
   90    HB2  SER  10           HB2      SER  10  20.069  11.686   3.585
   91    HB3  SER  10           HB1      SER  10  20.253  12.014   1.847
   92    HG   SER  10           HG       SER  10  18.709  10.227   2.957
   93    H    LEU  11           HN       LEU  11  22.901   8.507   2.092
   94    HA   LEU  11           HA       LEU  11  23.201   6.480   3.172
   95    HB2  LEU  11           HB2      LEU  11  23.951   8.233   5.019
   96    HB3  LEU  11           HB1      LEU  11  22.462   7.723   5.840
   97    HG   LEU  11           HG       LEU  11  24.723   5.885   4.919
   98   HD11  LEU  11          HD11      LEU  11  23.808   6.760   7.696
   99   HD12  LEU  11          HD12      LEU  11  25.299   7.285   6.877
  100   HD13  LEU  11          HD13      LEU  11  25.096   5.581   7.352
  101   HD21  LEU  11          HD21      LEU  11  22.717   4.600   4.792
  102   HD22  LEU  11          HD22      LEU  11  22.022   5.378   6.235
  103   HD23  LEU  11          HD23      LEU  11  23.372   4.230   6.402
  104    H    LEU  12           HN       LEU  12  21.706   5.009   2.686
  105    HA   LEU  12           HA       LEU  12  18.942   5.275   2.764
  106    HB2  LEU  12           HB2      LEU  12  20.514   2.741   3.370
  107    HB3  LEU  12           HB1      LEU  12  18.828   2.811   2.813
  108    HG   LEU  12           HG       LEU  12  21.090   4.091   1.217
  109   HD11  LEU  12          HD11      LEU  12  21.661   1.711   1.533
  110   HD12  LEU  12          HD12      LEU  12  21.154   2.015  -0.146
  111   HD13  LEU  12          HD13      LEU  12  20.032   1.238   0.998
  112   HD21  LEU  12          HD21      LEU  12  18.900   4.805   0.488
  113   HD22  LEU  12          HD22      LEU  12  18.253   3.150   0.586
  114   HD23  LEU  12          HD23      LEU  12  19.436   3.572  -0.672
  115    H    LYS  13           HN       LYS  13  17.348   5.273   4.212
  116    HA   LYS  13           HA       LYS  13  17.789   5.740   6.939
  117    HB2  LYS  13           HB2      LYS  13  15.640   6.062   5.627
  118    HB3  LYS  13           HB1      LYS  13  15.352   4.315   5.810
  119    HG2  LYS  13           HG2      LYS  13  15.518   4.583   8.294
  120    HG3  LYS  13           HG1      LYS  13  15.692   6.340   8.065
  121    HD2  LYS  13           HD2      LYS  13  13.492   6.362   6.864
  122    HD3  LYS  13           HD1      LYS  13  13.310   4.628   7.228
  123    HE2  LYS  13           HE2      LYS  13  12.098   5.855   8.927
  124    HE3  LYS  13           HE1      LYS  13  13.572   5.207   9.685
  125    HZ1  LYS  13           HZ1      LYS  13  14.036   7.284  10.266
  126    HZ2  LYS  13           HZ2      LYS  13  12.767   7.917   9.330
  127    HZ3  LYS  13           HZ3      LYS  13  14.291   7.648   8.629
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  33.128   5.168 -11.775
    2    H2   PHE   1           HT2      PHE   1  33.693   6.495 -10.875
    3    H3   PHE   1           HT3      PHE   1  32.135   6.524 -11.554
    4    HA   PHE   1           HA       PHE   1  31.248   5.531  -9.845
    5    HB2  PHE   1           HB2      PHE   1  32.152   3.406 -10.853
    6    HB3  PHE   1           HB1      PHE   1  33.593   3.592  -9.827
    7    HD1  PHE   1           HD1      PHE   1  33.565   2.789  -7.590
    8    HD2  PHE   1           HD2      PHE   1  29.836   3.433  -9.669
    9    HE1  PHE   1           HE1      PHE   1  32.327   1.753  -5.692
   10    HE2  PHE   1           HE2      PHE   1  28.600   2.396  -7.770
   11    HZ   PHE   1           HZ       PHE   1  29.842   1.599  -5.762
   12    H    LEU   2           HN       LEU   2  31.422   7.193  -8.406
   13    HA   LEU   2           HA       LEU   2  33.252   6.785  -6.180
   14    HB2  LEU   2           HB2      LEU   2  34.698   7.944  -7.934
   15    HB3  LEU   2           HB1      LEU   2  33.612   9.341  -7.781
   16    HG   LEU   2           HG       LEU   2  34.110   9.123  -5.183
   17   HD11  LEU   2          HD11      LEU   2  36.479   8.329  -4.797
   18   HD12  LEU   2          HD12      LEU   2  36.470   7.640  -6.435
   19   HD13  LEU   2          HD13      LEU   2  35.347   7.022  -5.200
   20   HD21  LEU   2          HD21      LEU   2  36.108  10.584  -5.453
   21   HD22  LEU   2          HD22      LEU   2  34.801  11.038  -6.571
   22   HD23  LEU   2          HD23      LEU   2  36.204  10.120  -7.169
   23    HA   PRO   3           HA       PRO   3  29.353   9.178  -5.372
   24    HB2  PRO   3           HB2      PRO   3  28.024   7.390  -3.817
   25    HB3  PRO   3           HB1      PRO   3  28.029   7.259  -5.605
   26    HG2  PRO   3           HG2      PRO   3  29.653   5.740  -3.580
   27    HG3  PRO   3           HG1      PRO   3  28.848   5.150  -5.066
   28    HD2  PRO   3           HD2      PRO   3  31.571   5.777  -4.899
   29    HD3  PRO   3           HD1      PRO   3  30.631   5.776  -6.428
   30    H    ILE   4           HN       ILE   4  28.948  10.440  -3.559
   31    HA   ILE   4           HA       ILE   4  31.026  10.344  -1.477
   32    HB   ILE   4           HB       ILE   4  28.628  12.211  -1.793
   33   HG12  ILE   4          HG12      ILE   4  30.438  13.836  -2.520
   34   HG13  ILE   4          HG11      ILE   4  31.585  12.480  -2.533
   35   HG21  ILE   4          HG21      ILE   4  30.050  13.648  -0.223
   36   HG22  ILE   4          HG22      ILE   4  31.044  12.200   0.062
   37   HG23  ILE   4          HG23      ILE   4  29.325  12.206   0.516
   38   HD11  ILE   4           HD1      ILE   4  30.284  13.234  -4.766
   39   HD12  ILE   4           HD2      ILE   4  29.018  12.172  -4.110
   40   HD13  ILE   4           HD3      ILE   4  30.642  11.523  -4.449
   41    H    VAL   5           HN       VAL   5  27.436  10.046  -1.623
   42    HA   VAL   5           HA       VAL   5  26.006   8.894  -0.231
   43    HB   VAL   5           HB       VAL   5  28.283   7.853   1.498
   44   HG11  VAL   5          HG11      VAL   5  26.002   7.346   2.219
   45   HG12  VAL   5          HG12      VAL   5  26.765   5.862   1.622
   46   HG13  VAL   5          HG13      VAL   5  25.591   6.728   0.604
   47   HG21  VAL   5          HG21      VAL   5  27.604   7.082  -1.364
   48   HG22  VAL   5          HG22      VAL   5  28.176   5.831  -0.236
   49   HG23  VAL   5          HG23      VAL   5  29.201   7.231  -0.594
   50    H    GLY   6           HN       GLY   6  25.220   8.954   2.062
   51    HA2  GLY   6           HA1      GLY   6  24.658  10.317   3.855
   52    HA3  GLY   6           HA2      GLY   6  26.407  10.575   4.052
   53    H    LEU   7           HN       LEU   7  25.342  11.379   0.963
   54    HA   LEU   7           HA       LEU   7  24.448  14.058   1.484
   55    HB2  LEU   7           HB2      LEU   7  27.112  13.909   1.714
   56    HB3  LEU   7           HB1      LEU   7  27.023  13.983  -0.051
   57    HG   LEU   7           HG       LEU   7  27.310  16.234   0.709
   58   HD11  LEU   7          HD11      LEU   7  25.498  15.761  -1.040
   59   HD12  LEU   7          HD12      LEU   7  25.430  17.342  -0.229
   60   HD13  LEU   7          HD13      LEU   7  24.310  16.050   0.253
   61   HD21  LEU   7          HD21      LEU   7  24.853  16.082   2.504
   62   HD22  LEU   7          HD22      LEU   7  26.156  17.286   2.489
   63   HD23  LEU   7          HD23      LEU   7  26.468  15.652   3.109
   64    H    LEU   8           HN       LEU   8  25.571  11.613  -0.451
   65    HA   LEU   8           HA       LEU   8  24.085  12.605  -2.869
   66    HB2  LEU   8           HB2      LEU   8  26.586  11.793  -2.907
   67    HB3  LEU   8           HB1      LEU   8  25.890  10.164  -2.808
   68    HG   LEU   8           HG       LEU   8  24.360  11.004  -4.827
   69   HD11  LEU   8          HD11      LEU   8  25.058  13.351  -4.845
   70   HD12  LEU   8          HD12      LEU   8  25.650  12.566  -6.324
   71   HD13  LEU   8          HD13      LEU   8  26.768  12.878  -4.978
   72   HD21  LEU   8          HD21      LEU   8  27.326  10.389  -5.191
   73   HD22  LEU   8          HD22      LEU   8  26.065  10.196  -6.431
   74   HD23  LEU   8          HD23      LEU   8  26.038   9.183  -4.968
   75    H    LYS   9           HN       LYS   9  23.527  10.893  -0.146
   76    HA   LYS   9           HA       LYS   9  21.229   9.534  -1.316
   77    HB2  LYS   9           HB2      LYS   9  23.199   7.934  -1.692
   78    HB3  LYS   9           HB1      LYS   9  23.280   7.783   0.079
   79    HG2  LYS   9           HG2      LYS   9  20.996   6.926   0.164
   80    HG3  LYS   9           HG1      LYS   9  20.776   7.229  -1.575
   81    HD2  LYS   9           HD2      LYS   9  22.496   5.580  -2.123
   82    HD3  LYS   9           HD1      LYS   9  22.862   5.343  -0.397
   83    HE2  LYS   9           HE2      LYS   9  20.503   4.577  -0.040
   84    HE3  LYS   9           HE1      LYS   9  20.224   4.714  -1.792
   85    HZ1  LYS   9           HZ1      LYS   9  22.014   2.857  -0.342
   86    HZ2  LYS   9           HZ2      LYS   9  22.263   3.206  -1.986
   87    HZ3  LYS   9           HZ3      LYS   9  20.804   2.500  -1.476
   88    H    SER  10           HN       SER  10  22.952  10.976   1.106
   89    HA   SER  10           HA       SER  10  22.568  11.340   3.385
   90    HB2  SER  10           HB2      SER  10  19.700  11.187   2.380
   91    HB3  SER  10           HB1      SER  10  20.225  11.929   3.908
   92    HG   SER  10           HG       SER  10  20.749  13.631   2.802
   93    H    LEU  11           HN       LEU  11  23.333   8.839   3.290
   94    HA   LEU  11           HA       LEU  11  21.431   6.843   4.022
   95    HB2  LEU  11           HB2      LEU  11  23.990   6.713   3.336
   96    HB3  LEU  11           HB1      LEU  11  24.269   6.803   5.089
   97    HG   LEU  11           HG       LEU  11  22.570   4.736   3.616
   98   HD11  LEU  11          HD11      LEU  11  24.293   3.160   4.470
   99   HD12  LEU  11          HD12      LEU  11  25.183   4.529   5.179
  100   HD13  LEU  11          HD13      LEU  11  25.008   4.400   3.413
  101   HD21  LEU  11          HD21      LEU  11  21.474   5.078   5.708
  102   HD22  LEU  11          HD22      LEU  11  23.014   5.299   6.576
  103   HD23  LEU  11          HD23      LEU  11  22.542   3.686   5.992
  104    H    LEU  12           HN       LEU  12  23.808   8.482   6.180
  105    HA   LEU  12           HA       LEU  12  22.634   7.604   8.606
  106    HB2  LEU  12           HB2      LEU  12  24.029  10.269   8.143
  107    HB3  LEU  12           HB1      LEU  12  23.886   9.389   9.680
  108    HG   LEU  12           HG       LEU  12  25.298   8.295   7.204
  109   HD11  LEU  12          HD11      LEU  12  26.450  10.298   8.075
  110   HD12  LEU  12          HD12      LEU  12  27.393   8.830   8.420
  111   HD13  LEU  12          HD13      LEU  12  26.443   9.601   9.711
  112   HD21  LEU  12          HD21      LEU  12  24.983   7.352  10.085
  113   HD22  LEU  12          HD22      LEU  12  26.337   6.803   9.071
  114   HD23  LEU  12          HD23      LEU  12  24.666   6.453   8.583
  115    H    LYS  13           HN       LYS  13  20.631   7.874   9.301
  116    HA   LYS  13           HA       LYS  13  18.875   9.913   8.274
  117    HB2  LYS  13           HB2      LYS  13  17.341   9.154  10.075
  118    HB3  LYS  13           HB1      LYS  13  18.028   7.790   9.161
  119    HG2  LYS  13           HG2      LYS  13  19.820   7.612  10.953
  120    HG3  LYS  13           HG1      LYS  13  18.899   8.807  11.898
  121    HD2  LYS  13           HD2      LYS  13  16.911   7.314  11.833
  122    HD3  LYS  13           HD1      LYS  13  17.855   6.112  10.920
  123    HE2  LYS  13           HE2      LYS  13  18.664   7.169  13.661
  124    HE3  LYS  13           HE1      LYS  13  17.742   5.666  13.410
  125    HZ1  LYS  13           HZ1      LYS  13  19.987   5.720  11.691
  126    HZ2  LYS  13           HZ2      LYS  13  19.611   4.610  12.920
  127    HZ3  LYS  13           HZ3      LYS  13  20.499   6.013  13.280
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  36.043   5.462  -5.408
    2    H2   PHE   1           HT2      PHE   1  35.211   4.070  -5.919
    3    H3   PHE   1           HT3      PHE   1  35.938   4.116  -4.383
    4    HA   PHE   1           HA       PHE   1  33.421   4.449  -4.622
    5    HB2  PHE   1           HB2      PHE   1  35.135   6.334  -2.955
    6    HB3  PHE   1           HB1      PHE   1  33.458   5.840  -2.615
    7    HD1  PHE   1           HD1      PHE   1  32.937   3.594  -1.799
    8    HD2  PHE   1           HD2      PHE   1  36.998   4.734  -2.716
    9    HE1  PHE   1           HE1      PHE   1  33.772   1.565  -0.621
   10    HE2  PHE   1           HE2      PHE   1  37.833   2.703  -1.537
   11    HZ   PHE   1           HZ       PHE   1  36.214   1.069  -0.580
   12    H    LEU   2           HN       LEU   2  32.566   5.334  -6.478
   13    HA   LEU   2           HA       LEU   2  33.237   8.056  -7.296
   14    HB2  LEU   2           HB2      LEU   2  30.800   6.515  -8.232
   15    HB3  LEU   2           HB1      LEU   2  31.795   7.689  -9.123
   16    HG   LEU   2           HG       LEU   2  32.626   4.884  -8.253
   17   HD11  LEU   2          HD11      LEU   2  32.214   6.164 -10.993
   18   HD12  LEU   2          HD12      LEU   2  31.132   4.977 -10.225
   19   HD13  LEU   2          HD13      LEU   2  32.782   4.504 -10.699
   20   HD21  LEU   2          HD21      LEU   2  34.583   6.269  -8.062
   21   HD22  LEU   2          HD22      LEU   2  34.173   7.175  -9.538
   22   HD23  LEU   2          HD23      LEU   2  34.704   5.479  -9.651
   23    HA   PRO   3           HA       PRO   3  29.058   9.108  -5.314
   24    HB2  PRO   3           HB2      PRO   3  27.750   7.396  -3.691
   25    HB3  PRO   3           HB1      PRO   3  27.729   7.181  -5.471
   26    HG2  PRO   3           HG2      PRO   3  29.295   5.693  -3.389
   27    HG3  PRO   3           HG1      PRO   3  28.565   5.097  -4.910
   28    HD2  PRO   3           HD2      PRO   3  31.299   5.848  -4.533
   29    HD3  PRO   3           HD1      PRO   3  30.496   5.548  -6.108
   30    H    ILE   4           HN       ILE   4  28.837  10.467  -3.565
   31    HA   ILE   4           HA       ILE   4  30.962  10.377  -1.557
   32    HB   ILE   4           HB       ILE   4  28.512  12.186  -1.551
   33   HG12  ILE   4          HG12      ILE   4  29.393  12.444  -3.759
   34   HG13  ILE   4          HG11      ILE   4  30.051  13.805  -2.831
   35   HG21  ILE   4          HG21      ILE   4  30.299  13.768  -0.529
   36   HG22  ILE   4          HG22      ILE   4  31.284  12.306  -0.304
   37   HG23  ILE   4          HG23      ILE   4  29.698  12.438   0.480
   38   HD11  ILE   4           HD1      ILE   4  31.879  12.929  -4.105
   39   HD12  ILE   4           HD2      ILE   4  31.471  11.251  -3.685
   40   HD13  ILE   4           HD3      ILE   4  32.140  12.342  -2.450
   41    H    VAL   5           HN       VAL   5  27.385  10.035  -1.531
   42    HA   VAL   5           HA       VAL   5  26.043   8.851  -0.075
   43    HB   VAL   5           HB       VAL   5  28.376   8.021   1.691
   44   HG11  VAL   5          HG11      VAL   5  25.762   6.693   0.848
   45   HG12  VAL   5          HG12      VAL   5  26.110   7.444   2.421
   46   HG13  VAL   5          HG13      VAL   5  26.970   5.971   1.934
   47   HG21  VAL   5          HG21      VAL   5  28.318   5.894   0.025
   48   HG22  VAL   5          HG22      VAL   5  29.367   7.282  -0.312
   49   HG23  VAL   5          HG23      VAL   5  27.806   7.126  -1.151
   50    H    GLY   6           HN       GLY   6  25.266   9.014   2.194
   51    HA2  GLY   6           HA1      GLY   6  24.602  10.480   3.865
   52    HA3  GLY   6           HA2      GLY   6  26.343  10.699   4.152
   53    H    LEU   7           HN       LEU   7  25.362  11.480   0.994
   54    HA   LEU   7           HA       LEU   7  24.575  14.209   1.477
   55    HB2  LEU   7           HB2      LEU   7  27.096  14.237   1.856
   56    HB3  LEU   7           HB1      LEU   7  27.245  13.768   0.147
   57    HG   LEU   7           HG       LEU   7  25.700  15.877  -0.302
   58   HD11  LEU   7          HD11      LEU   7  25.140  16.398   2.029
   59   HD12  LEU   7          HD12      LEU   7  26.140  17.707   1.364
   60   HD13  LEU   7          HD13      LEU   7  26.865  16.502   2.453
   61   HD21  LEU   7          HD21      LEU   7  27.746  17.345  -0.344
   62   HD22  LEU   7          HD22      LEU   7  28.011  15.745  -1.075
   63   HD23  LEU   7          HD23      LEU   7  28.619  16.087   0.563
   64    H    LEU   8           HN       LEU   8  25.537  11.661  -0.411
   65    HA   LEU   8           HA       LEU   8  24.059  12.726  -2.815
   66    HB2  LEU   8           HB2      LEU   8  26.603  12.087  -2.933
   67    HB3  LEU   8           HB1      LEU   8  26.022  10.411  -2.887
   68    HG   LEU   8           HG       LEU   8  24.401  11.219  -4.845
   69   HD11  LEU   8          HD11      LEU   8  26.667  13.263  -4.962
   70   HD12  LEU   8          HD12      LEU   8  24.931  13.607  -4.781
   71   HD13  LEU   8          HD13      LEU   8  25.548  12.922  -6.301
   72   HD21  LEU   8          HD21      LEU   8  27.395  10.801  -5.249
   73   HD22  LEU   8          HD22      LEU   8  26.154  10.626  -6.512
   74   HD23  LEU   8          HD23      LEU   8  26.166   9.521  -5.116
   75    H    LYS   9           HN       LYS   9  23.738  10.771  -0.174
   76    HA   LYS   9           HA       LYS   9  21.522   9.292  -1.443
   77    HB2  LYS   9           HB2      LYS   9  23.871   7.870  -0.139
   78    HB3  LYS   9           HB1      LYS   9  22.307   7.100  -0.499
   79    HG2  LYS   9           HG2      LYS   9  22.653   7.856  -2.932
   80    HG3  LYS   9           HG1      LYS   9  24.326   8.250  -2.468
   81    HD2  LYS   9           HD2      LYS   9  24.624   5.900  -1.664
   82    HD3  LYS   9           HD1      LYS   9  22.983   5.522  -2.241
   83    HE2  LYS   9           HE2      LYS   9  25.204   6.630  -4.012
   84    HE3  LYS   9           HE1      LYS   9  24.799   4.901  -3.880
   85    HZ1  LYS   9           HZ1      LYS   9  23.637   5.779  -5.737
   86    HZ2  LYS   9           HZ2      LYS   9  23.048   7.102  -4.848
   87    HZ3  LYS   9           HZ3      LYS   9  22.485   5.534  -4.515
   88    H    SER  10           HN       SER  10  22.933  10.934   1.052
   89    HA   SER  10           HA       SER  10  22.411  11.210   3.321
   90    HB2  SER  10           HB2      SER  10  20.597  12.432   2.284
   91    HB3  SER  10           HB1      SER  10  19.672  10.934   2.027
   92    HG   SER  10           HG       SER  10  18.867  11.568   3.903
   93    H    LEU  11           HN       LEU  11  23.390   9.104   3.882
   94    HA   LEU  11           HA       LEU  11  21.745   6.757   4.157
   95    HB2  LEU  11           HB2      LEU  11  24.303   6.898   4.102
   96    HB3  LEU  11           HB1      LEU  11  24.212   7.439   5.792
   97    HG   LEU  11           HG       LEU  11  22.731   5.280   6.152
   98   HD11  LEU  11          HD11      LEU  11  23.522   3.400   4.624
   99   HD12  LEU  11          HD12      LEU  11  24.174   4.645   3.536
  100   HD13  LEU  11          HD13      LEU  11  22.427   4.566   3.854
  101   HD21  LEU  11          HD21      LEU  11  24.780   3.937   6.569
  102   HD22  LEU  11          HD22      LEU  11  24.976   5.615   7.129
  103   HD23  LEU  11          HD23      LEU  11  25.728   5.093   5.602
  104    H    LEU  12           HN       LEU  12  19.912   6.847   5.320
  105    HA   LEU  12           HA       LEU  12  19.712   8.448   7.755
  106    HB2  LEU  12           HB2      LEU  12  17.812   6.243   6.886
  107    HB3  LEU  12           HB1      LEU  12  17.457   7.695   7.853
  108    HG   LEU  12           HG       LEU  12  18.259   7.634   4.909
  109   HD11  LEU  12          HD11      LEU  12  15.958   8.518   4.574
  110   HD12  LEU  12          HD12      LEU  12  15.657   8.374   6.323
  111   HD13  LEU  12          HD13      LEU  12  15.937   6.914   5.342
  112   HD21  LEU  12          HD21      LEU  12  19.182   9.649   5.804
  113   HD22  LEU  12          HD22      LEU  12  17.791   9.907   6.884
  114   HD23  LEU  12          HD23      LEU  12  17.613  10.140   5.129
  115    H    LYS  13           HN       LYS  13  18.197   6.740   9.398
  116    HA   LYS  13           HA       LYS  13  18.568   5.343  11.212
  117    HB2  LYS  13           HB2      LYS  13  20.047   3.767   9.069
  118    HB3  LYS  13           HB1      LYS  13  19.620   3.135  10.678
  119    HG2  LYS  13           HG2      LYS  13  17.258   3.393  10.239
  120    HG3  LYS  13           HG1      LYS  13  17.578   4.289   8.735
  121    HD2  LYS  13           HD2      LYS  13  18.622   2.292   7.740
  122    HD3  LYS  13           HD1      LYS  13  18.369   1.389   9.253
  123    HE2  LYS  13           HE2      LYS  13  16.107   2.660   7.657
  124    HE3  LYS  13           HE1      LYS  13  16.616   0.966   7.462
  125    HZ1  LYS  13           HZ1      LYS  13  16.226   1.728  10.209
  126    HZ2  LYS  13           HZ2      LYS  13  15.622   0.389   9.356
  127    HZ3  LYS  13           HZ3      LYS  13  14.815   1.882   9.281
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  30.608   7.526 -11.278
    2    H2   PHE   1           HT2      PHE   1  31.390   8.843 -12.016
    3    H3   PHE   1           HT3      PHE   1  30.606   9.044 -10.522
    4    HA   PHE   1           HA       PHE   1  32.314   7.029 -10.025
    5    HB2  PHE   1           HB2      PHE   1  33.630   9.093 -11.835
    6    HB3  PHE   1           HB1      PHE   1  34.503   7.897 -10.846
    7    HD1  PHE   1           HD1      PHE   1  32.446   8.435 -13.852
    8    HD2  PHE   1           HD2      PHE   1  34.296   5.465 -11.326
    9    HE1  PHE   1           HE1      PHE   1  32.141   6.725 -15.639
   10    HE2  PHE   1           HE2      PHE   1  33.991   3.755 -13.112
   11    HZ   PHE   1           HZ       PHE   1  32.995   4.409 -15.301
   12    H    LEU   2           HN       LEU   2  30.741   8.724  -8.597
   13    HA   LEU   2           HA       LEU   2  32.725   9.954  -6.820
   14    HB2  LEU   2           HB2      LEU   2  31.207  12.186  -6.931
   15    HB3  LEU   2           HB1      LEU   2  32.614  11.956  -7.986
   16    HG   LEU   2           HG       LEU   2  31.150  11.118  -9.795
   17   HD11  LEU   2          HD11      LEU   2  28.664  11.356  -9.519
   18   HD12  LEU   2          HD12      LEU   2  28.921  11.682  -7.789
   19   HD13  LEU   2          HD13      LEU   2  29.359  10.098  -8.472
   20   HD21  LEU   2          HD21      LEU   2  30.273  13.755  -8.542
   21   HD22  LEU   2          HD22      LEU   2  29.924  13.264 -10.215
   22   HD23  LEU   2          HD23      LEU   2  31.607  13.519  -9.695
   23    HA   PRO   3           HA       PRO   3  28.757   8.384  -4.922
   24    HB2  PRO   3           HB2      PRO   3  29.653   6.109  -3.744
   25    HB3  PRO   3           HB1      PRO   3  29.229   6.154  -5.486
   26    HG2  PRO   3           HG2      PRO   3  31.940   6.312  -4.183
   27    HG3  PRO   3           HG1      PRO   3  31.423   5.370  -5.617
   28    HD2  PRO   3           HD2      PRO   3  32.725   7.825  -5.781
   29    HD3  PRO   3           HD1      PRO   3  31.622   7.201  -7.050
   30    H    ILE   4           HN       ILE   4  29.032  10.300  -3.614
   31    HA   ILE   4           HA       ILE   4  30.971  10.313  -1.435
   32    HB   ILE   4           HB       ILE   4  28.477  12.050  -1.631
   33   HG12  ILE   4          HG12      ILE   4  31.178  12.376  -3.018
   34   HG13  ILE   4          HG11      ILE   4  29.611  12.103  -3.814
   35   HG21  ILE   4          HG21      ILE   4  30.000  12.020   0.447
   36   HG22  ILE   4          HG22      ILE   4  29.737  13.604  -0.319
   37   HG23  ILE   4          HG23      ILE   4  31.259  12.723  -0.596
   38   HD11  ILE   4           HD1      ILE   4  30.565  14.564  -2.313
   39   HD12  ILE   4           HD2      ILE   4  28.831  14.265  -2.591
   40   HD13  ILE   4           HD3      ILE   4  29.938  14.450  -3.973
   41    H    VAL   5           HN       VAL   5  27.391   9.935  -1.624
   42    HA   VAL   5           HA       VAL   5  25.956   8.814  -0.209
   43    HB   VAL   5           HB       VAL   5  28.226   7.806   1.548
   44   HG11  VAL   5          HG11      VAL   5  25.921   7.316   2.230
   45   HG12  VAL   5          HG12      VAL   5  26.721   5.822   1.706
   46   HG13  VAL   5          HG13      VAL   5  25.563   6.636   0.627
   47   HG21  VAL   5          HG21      VAL   5  28.148   5.756  -0.153
   48   HG22  VAL   5          HG22      VAL   5  29.169   7.156  -0.524
   49   HG23  VAL   5          HG23      VAL   5  27.582   6.984  -1.309
   50    H    GLY   6           HN       GLY   6  25.168   8.934   2.081
   51    HA2  GLY   6           HA1      GLY   6  24.589  10.368   3.815
   52    HA3  GLY   6           HA2      GLY   6  26.341  10.551   4.064
   53    H    LEU   7           HN       LEU   7  25.334  11.362   0.941
   54    HA   LEU   7           HA       LEU   7  24.609  14.108   1.429
   55    HB2  LEU   7           HB2      LEU   7  27.290  13.720   1.575
   56    HB3  LEU   7           HB1      LEU   7  27.121  13.912  -0.181
   57    HG   LEU   7           HG       LEU   7  26.115  15.892   1.921
   58   HD11  LEU   7          HD11      LEU   7  28.502  15.999   0.023
   59   HD12  LEU   7          HD12      LEU   7  28.580  15.812   1.791
   60   HD13  LEU   7          HD13      LEU   7  27.965  17.324   1.083
   61   HD21  LEU   7          HD21      LEU   7  26.069  15.840  -1.124
   62   HD22  LEU   7          HD22      LEU   7  25.968  17.368  -0.212
   63   HD23  LEU   7          HD23      LEU   7  24.720  16.122   0.001
   64    H    LEU   8           HN       LEU   8  25.568  11.570  -0.476
   65    HA   LEU   8           HA       LEU   8  24.071  12.583  -2.882
   66    HB2  LEU   8           HB2      LEU   8  26.559  11.755  -2.979
   67    HB3  LEU   8           HB1      LEU   8  25.860  10.130  -2.835
   68    HG   LEU   8           HG       LEU   8  24.282  10.949  -4.830
   69   HD11  LEU   8          HD11      LEU   8  25.016  13.289  -4.889
   70   HD12  LEU   8          HD12      LEU   8  25.530  12.475  -6.382
   71   HD13  LEU   8          HD13      LEU   8  26.710  12.783  -5.089
   72   HD21  LEU   8          HD21      LEU   8  25.913   9.104  -5.001
   73   HD22  LEU   8          HD22      LEU   8  27.232  10.276  -5.230
   74   HD23  LEU   8          HD23      LEU   8  25.962  10.115  -6.465
   75    H    LYS   9           HN       LYS   9  23.662  10.772  -0.152
   76    HA   LYS   9           HA       LYS   9  21.303   9.413  -1.298
   77    HB2  LYS   9           HB2      LYS   9  23.592   7.873  -0.013
   78    HB3  LYS   9           HB1      LYS   9  21.964   7.208  -0.275
   79    HG2  LYS   9           HG2      LYS   9  22.256   7.824  -2.753
   80    HG3  LYS   9           HG1      LYS   9  23.970   8.119  -2.376
   81    HD2  LYS   9           HD2      LYS   9  24.143   5.794  -1.473
   82    HD3  LYS   9           HD1      LYS   9  22.455   5.506  -1.960
   83    HE2  LYS   9           HE2      LYS   9  22.983   5.795  -4.290
   84    HE3  LYS   9           HE1      LYS   9  24.605   6.422  -3.911
   85    HZ1  LYS   9           HZ1      LYS   9  25.121   4.267  -4.343
   86    HZ2  LYS   9           HZ2      LYS   9  23.605   3.669  -3.864
   87    HZ3  LYS   9           HZ3      LYS   9  24.760   4.098  -2.694
   88    H    SER  10           HN       SER  10  22.898  11.073   1.070
   89    HA   SER  10           HA       SER  10  22.417  11.590   3.287
   90    HB2  SER  10           HB2      SER  10  19.602  11.014   2.291
   91    HB3  SER  10           HB1      SER  10  20.011  11.911   3.770
   92    HG   SER  10           HG       SER  10  21.384  13.176   2.137
   93    H    LEU  11           HN       LEU  11  23.351   9.007   3.111
   94    HA   LEU  11           HA       LEU  11  21.834   7.715   5.347
   95    HB2  LEU  11           HB2      LEU  11  22.561   6.464   2.678
   96    HB3  LEU  11           HB1      LEU  11  22.384   5.461   4.134
   97    HG   LEU  11           HG       LEU  11  20.183   7.425   3.379
   98   HD11  LEU  11          HD11      LEU  11  19.078   5.604   2.092
   99   HD12  LEU  11          HD12      LEU  11  20.545   4.608   2.264
  100   HD13  LEU  11          HD13      LEU  11  20.600   6.123   1.332
  101   HD21  LEU  11          HD21      LEU  11  20.260   4.726   4.817
  102   HD22  LEU  11          HD22      LEU  11  18.778   5.640   4.467
  103   HD23  LEU  11          HD23      LEU  11  19.996   6.317   5.566
  104    H    LEU  12           HN       LEU  12  23.228   7.644   6.970
  105    HA   LEU  12           HA       LEU  12  26.097   7.747   6.542
  106    HB2  LEU  12           HB2      LEU  12  24.737   6.892   9.119
  107    HB3  LEU  12           HB1      LEU  12  26.279   7.757   8.907
  108    HG   LEU  12           HG       LEU  12  23.485   8.837   8.326
  109   HD11  LEU  12          HD11      LEU  12  23.931  10.346  10.173
  110   HD12  LEU  12          HD12      LEU  12  25.606   9.760  10.311
  111   HD13  LEU  12          HD13      LEU  12  24.249   8.689  10.737
  112   HD21  LEU  12          HD21      LEU  12  26.269   9.964   7.806
  113   HD22  LEU  12          HD22      LEU  12  24.834  11.009   7.948
  114   HD23  LEU  12          HD23      LEU  12  24.921   9.789   6.657
  115    H    LYS  13           HN       LYS  13  27.564   6.172   6.354
  116    HA   LYS  13           HA       LYS  13  26.646   3.444   5.967
  117    HB2  LYS  13           HB2      LYS  13  29.491   4.472   6.300
  118    HB3  LYS  13           HB1      LYS  13  28.987   2.934   5.554
  119    HG2  LYS  13           HG2      LYS  13  27.611   4.367   3.903
  120    HG3  LYS  13           HG1      LYS  13  28.522   5.763   4.529
  121    HD2  LYS  13           HD2      LYS  13  29.708   3.263   3.243
  122    HD3  LYS  13           HD1      LYS  13  29.620   4.883   2.513
  123    HE2  LYS  13           HE2      LYS  13  30.955   5.685   4.595
  124    HE3  LYS  13           HE1      LYS  13  31.299   3.959   4.870
  125    HZ1  LYS  13           HZ1      LYS  13  33.046   4.842   3.556
  126    HZ2  LYS  13           HZ2      LYS  13  31.969   5.581   2.469
  127    HZ3  LYS  13           HZ3      LYS  13  32.100   3.887   2.522
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  35.499   9.442 -10.573
    2    H2   PHE   1           HT2      PHE   1  35.155   7.782 -10.450
    3    H3   PHE   1           HT3      PHE   1  35.327   8.725  -9.047
    4    HA   PHE   1           HA       PHE   1  33.412  10.078  -9.888
    5    HB2  PHE   1           HB2      PHE   1  33.127   7.573 -11.597
    6    HB3  PHE   1           HB1      PHE   1  31.902   8.854 -11.421
    7    HD1  PHE   1           HD1      PHE   1  32.214  11.053 -12.441
    8    HD2  PHE   1           HD2      PHE   1  35.243   7.998 -12.791
    9    HE1  PHE   1           HE1      PHE   1  33.340  12.374 -14.229
   10    HE2  PHE   1           HE2      PHE   1  36.369   9.320 -14.580
   11    HZ   PHE   1           HZ       PHE   1  35.400  11.492 -15.320
   12    H    LEU   2           HN       LEU   2  34.487   8.337  -7.770
   13    HA   LEU   2           HA       LEU   2  32.479   6.359  -7.120
   14    HB2  LEU   2           HB2      LEU   2  34.692   7.746  -5.574
   15    HB3  LEU   2           HB1      LEU   2  33.564   6.640  -4.758
   16    HG   LEU   2           HG       LEU   2  34.187   4.818  -6.270
   17   HD11  LEU   2          HD11      LEU   2  36.196   5.275  -7.844
   18   HD12  LEU   2          HD12      LEU   2  35.809   7.001  -7.636
   19   HD13  LEU   2          HD13      LEU   2  34.610   5.897  -8.353
   20   HD21  LEU   2          HD21      LEU   2  36.478   4.484  -5.517
   21   HD22  LEU   2          HD22      LEU   2  35.587   5.331  -4.228
   22   HD23  LEU   2          HD23      LEU   2  36.701   6.235  -5.283
   23    HA   PRO   3           HA       PRO   3  29.402   9.071  -5.405
   24    HB2  PRO   3           HB2      PRO   3  28.023   7.425  -3.731
   25    HB3  PRO   3           HB1      PRO   3  28.014   7.182  -5.509
   26    HG2  PRO   3           HG2      PRO   3  29.674   5.789  -3.414
   27    HG3  PRO   3           HG1      PRO   3  28.754   5.086  -4.781
   28    HD2  PRO   3           HD2      PRO   3  31.466   5.551  -4.909
   29    HD3  PRO   3           HD1      PRO   3  30.397   5.640  -6.348
   30    H    ILE   4           HN       ILE   4  28.921  10.377  -3.602
   31    HA   ILE   4           HA       ILE   4  31.039  10.432  -1.556
   32    HB   ILE   4           HB       ILE   4  28.544  12.177  -1.620
   33   HG12  ILE   4          HG12      ILE   4  31.161  12.497  -3.159
   34   HG13  ILE   4          HG11      ILE   4  29.550  12.230  -3.863
   35   HG21  ILE   4          HG21      ILE   4  30.187  12.135   0.365
   36   HG22  ILE   4          HG22      ILE   4  29.877  13.722  -0.375
   37   HG23  ILE   4          HG23      ILE   4  31.382  12.845  -0.746
   38   HD11  ILE   4           HD1      ILE   4  29.878  14.576  -4.036
   39   HD12  ILE   4           HD2      ILE   4  30.593  14.685  -2.411
   40   HD13  ILE   4           HD3      ILE   4  28.846  14.391  -2.599
   41    H    VAL   5           HN       VAL   5  27.450  10.079  -1.587
   42    HA   VAL   5           HA       VAL   5  26.087   8.888  -0.162
   43    HB   VAL   5           HB       VAL   5  28.410   7.965   1.573
   44   HG11  VAL   5          HG11      VAL   5  26.962   5.931   1.758
   45   HG12  VAL   5          HG12      VAL   5  25.756   6.725   0.721
   46   HG13  VAL   5          HG13      VAL   5  26.148   7.406   2.316
   47   HG21  VAL   5          HG21      VAL   5  27.781   7.142  -1.282
   48   HG22  VAL   5          HG22      VAL   5  28.316   5.890  -0.140
   49   HG23  VAL   5          HG23      VAL   5  29.359   7.282  -0.475
   50    H    GLY   6           HN       GLY   6  25.313   8.981   2.110
   51    HA2  GLY   6           HA1      GLY   6  24.698  10.356   3.866
   52    HA3  GLY   6           HA2      GLY   6  26.438  10.659   4.081
   53    H    LEU   7           HN       LEU   7  25.375  11.405   0.973
   54    HA   LEU   7           HA       LEU   7  24.408  14.070   1.469
   55    HB2  LEU   7           HB2      LEU   7  26.922  14.272   1.837
   56    HB3  LEU   7           HB1      LEU   7  27.095  13.817   0.128
   57    HG   LEU   7           HG       LEU   7  25.435  15.806  -0.343
   58   HD11  LEU   7          HD11      LEU   7  26.408  16.458   2.478
   59   HD12  LEU   7          HD12      LEU   7  24.724  16.325   1.920
   60   HD13  LEU   7          HD13      LEU   7  25.742  17.669   1.361
   61   HD21  LEU   7          HD21      LEU   7  27.834  15.793  -0.973
   62   HD22  LEU   7          HD22      LEU   7  28.268  16.344   0.662
   63   HD23  LEU   7          HD23      LEU   7  27.327  17.404  -0.415
   64    H    LEU   8           HN       LEU   8  25.537  11.596  -0.424
   65    HA   LEU   8           HA       LEU   8  24.170  12.611  -2.895
   66    HB2  LEU   8           HB2      LEU   8  26.605  11.637  -2.839
   67    HB3  LEU   8           HB1      LEU   8  25.804  10.058  -2.707
   68    HG   LEU   8           HG       LEU   8  24.382  10.967  -4.801
   69   HD11  LEU   8          HD11      LEU   8  27.005  12.513  -5.032
   70   HD12  LEU   8          HD12      LEU   8  25.400  13.237  -4.780
   71   HD13  LEU   8          HD13      LEU   8  25.759  12.378  -6.294
   72   HD21  LEU   8          HD21      LEU   8  27.277  10.034  -5.042
   73   HD22  LEU   8          HD22      LEU   8  26.042   9.928  -6.320
   74   HD23  LEU   8          HD23      LEU   8  25.861   8.978  -4.826
   75    H    LYS   9           HN       LYS   9  23.470  10.899  -0.161
   76    HA   LYS   9           HA       LYS   9  21.059   9.804  -1.336
   77    HB2  LYS   9           HB2      LYS   9  23.002   8.115  -1.865
   78    HB3  LYS   9           HB1      LYS   9  22.877   7.695  -0.146
   79    HG2  LYS   9           HG2      LYS   9  21.376   6.155  -1.093
   80    HG3  LYS   9           HG1      LYS   9  20.275   7.484  -0.672
   81    HD2  LYS   9           HD2      LYS   9  20.312   8.310  -2.975
   82    HD3  LYS   9           HD1      LYS   9  21.561   7.124  -3.421
   83    HE2  LYS   9           HE2      LYS   9  19.256   6.418  -4.108
   84    HE3  LYS   9           HE1      LYS   9  20.028   5.274  -2.983
   85    HZ1  LYS   9           HZ1      LYS   9  18.816   6.293  -1.165
   86    HZ2  LYS   9           HZ2      LYS   9  17.732   5.762  -2.360
   87    HZ3  LYS   9           HZ3      LYS   9  18.101   7.414  -2.219
   88    H    SER  10           HN       SER  10  22.904  10.941   1.156
   89    HA   SER  10           HA       SER  10  22.534  11.191   3.442
   90    HB2  SER  10           HB2      SER  10  19.638  10.910   2.557
   91    HB3  SER  10           HB1      SER  10  20.200  11.618   4.088
   92    HG   SER  10           HG       SER  10  21.495  13.040   2.617
   93    H    LEU  11           HN       LEU  11  23.194   8.556   2.708
   94    HA   LEU  11           HA       LEU  11  21.438   6.556   3.633
   95    HB2  LEU  11           HB2      LEU  11  23.838   6.453   2.519
   96    HB3  LEU  11           HB1      LEU  11  24.413   6.404   4.193
   97    HG   LEU  11           HG       LEU  11  24.203   4.127   3.487
   98   HD11  LEU  11          HD11      LEU  11  22.652   3.213   5.073
   99   HD12  LEU  11          HD12      LEU  11  21.641   4.674   5.041
  100   HD13  LEU  11          HD13      LEU  11  23.267   4.732   5.761
  101   HD21  LEU  11          HD21      LEU  11  22.535   4.794   1.556
  102   HD22  LEU  11          HD22      LEU  11  21.267   4.437   2.748
  103   HD23  LEU  11          HD23      LEU  11  22.422   3.175   2.275
  104    H    LEU  12           HN       LEU  12  24.233   7.812   5.515
  105    HA   LEU  12           HA       LEU  12  23.085   6.866   8.005
  106    HB2  LEU  12           HB2      LEU  12  25.560   7.154   7.491
  107    HB3  LEU  12           HB1      LEU  12  25.304   8.907   7.628
  108    HG   LEU  12           HG       LEU  12  24.317   8.453   9.962
  109   HD11  LEU  12          HD11      LEU  12  23.869   6.127  10.048
  110   HD12  LEU  12          HD12      LEU  12  25.378   6.267  10.969
  111   HD13  LEU  12          HD13      LEU  12  25.418   5.698   9.286
  112   HD21  LEU  12          HD21      LEU  12  27.244   7.748   9.455
  113   HD22  LEU  12          HD22      LEU  12  26.564   8.326  10.995
  114   HD23  LEU  12          HD23      LEU  12  26.580   9.394   9.573
  115    H    LYS  13           HN       LYS  13  21.038   7.789   8.222
  116    HA   LYS  13           HA       LYS  13  20.660  10.675   8.061
  117    HB2  LYS  13           HB2      LYS  13  18.416  10.185   8.944
  118    HB3  LYS  13           HB1      LYS  13  18.831   9.071   7.618
  119    HG2  LYS  13           HG2      LYS  13  19.669   7.459   9.472
  120    HG3  LYS  13           HG1      LYS  13  18.799   8.517  10.610
  121    HD2  LYS  13           HD2      LYS  13  17.575   7.100   8.201
  122    HD3  LYS  13           HD1      LYS  13  17.377   6.619   9.902
  123    HE2  LYS  13           HE2      LYS  13  16.461   9.009  10.295
  124    HE3  LYS  13           HE1      LYS  13  16.347   9.122   8.521
  125    HZ1  LYS  13           HZ1      LYS  13  15.218   6.784   9.921
  126    HZ2  LYS  13           HZ2      LYS  13  14.772   7.468   8.431
  127    HZ3  LYS  13           HZ3      LYS  13  14.347   8.240   9.883
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  35.146   7.586  -9.804
    2    H2   PHE   1           HT2      PHE   1  35.695   8.998  -9.033
    3    H3   PHE   1           HT3      PHE   1  35.600   8.931 -10.729
    4    HA   PHE   1           HA       PHE   1  33.809  10.191  -9.557
    5    HB2  PHE   1           HB2      PHE   1  33.164   7.875 -11.424
    6    HB3  PHE   1           HB1      PHE   1  32.051   9.215 -11.059
    7    HD1  PHE   1           HD1      PHE   1  35.259   8.275 -12.678
    8    HD2  PHE   1           HD2      PHE   1  32.454  11.465 -11.913
    9    HE1  PHE   1           HE1      PHE   1  36.387   9.679 -14.400
   10    HE2  PHE   1           HE2      PHE   1  33.580  12.869 -13.637
   11    HZ   PHE   1           HZ       PHE   1  35.587  11.999 -14.832
   12    H    LEU   2           HN       LEU   2  34.686   8.210  -7.585
   13    HA   LEU   2           HA       LEU   2  32.602   6.400  -6.926
   14    HB2  LEU   2           HB2      LEU   2  33.660   6.188  -4.788
   15    HB3  LEU   2           HB1      LEU   2  34.953   6.474  -5.968
   16    HG   LEU   2           HG       LEU   2  33.729   8.574  -4.107
   17   HD11  LEU   2          HD11      LEU   2  35.926   8.521  -3.020
   18   HD12  LEU   2          HD12      LEU   2  36.489   7.289  -4.175
   19   HD13  LEU   2          HD13      LEU   2  35.203   6.895  -3.010
   20   HD21  LEU   2          HD21      LEU   2  35.844   8.713  -6.298
   21   HD22  LEU   2          HD22      LEU   2  35.764   9.911  -4.986
   22   HD23  LEU   2          HD23      LEU   2  34.398   9.730  -6.105
   23    HA   PRO   3           HA       PRO   3  29.456   9.165  -5.407
   24    HB2  PRO   3           HB2      PRO   3  27.948   7.515  -3.842
   25    HB3  PRO   3           HB1      PRO   3  28.017   7.327  -5.625
   26    HG2  PRO   3           HG2      PRO   3  29.521   5.814  -3.497
   27    HG3  PRO   3           HG1      PRO   3  28.664   5.189  -4.941
   28    HD2  PRO   3           HD2      PRO   3  31.388   5.571  -4.894
   29    HD3  PRO   3           HD1      PRO   3  30.411   5.748  -6.390
   30    H    ILE   4           HN       ILE   4  29.031  10.523  -3.661
   31    HA   ILE   4           HA       ILE   4  31.017  10.482  -1.527
   32    HB   ILE   4           HB       ILE   4  28.510  12.210  -1.604
   33   HG12  ILE   4          HG12      ILE   4  31.174  12.617  -3.038
   34   HG13  ILE   4          HG11      ILE   4  29.601  12.323  -3.816
   35   HG21  ILE   4          HG21      ILE   4  29.796  13.728  -0.277
   36   HG22  ILE   4          HG22      ILE   4  31.316  12.867  -0.622
   37   HG23  ILE   4          HG23      ILE   4  30.089  12.124   0.431
   38   HD11  ILE   4           HD1      ILE   4  28.791  14.436  -2.524
   39   HD12  ILE   4           HD2      ILE   4  29.868  14.681  -3.921
   40   HD13  ILE   4           HD3      ILE   4  30.521  14.770  -2.268
   41    H    VAL   5           HN       VAL   5  27.436  10.071  -1.645
   42    HA   VAL   5           HA       VAL   5  26.055   8.871  -0.244
   43    HB   VAL   5           HB       VAL   5  28.369   7.887   1.468
   44   HG11  VAL   5          HG11      VAL   5  26.916   5.859   1.594
   45   HG12  VAL   5          HG12      VAL   5  25.724   6.671   0.554
   46   HG13  VAL   5          HG13      VAL   5  26.089   7.319   2.169
   47   HG21  VAL   5          HG21      VAL   5  29.317   7.289  -0.612
   48   HG22  VAL   5          HG22      VAL   5  27.733   7.131  -1.405
   49   HG23  VAL   5          HG23      VAL   5  28.305   5.870  -0.290
   50    H    GLY   6           HN       GLY   6  25.286   8.919   2.048
   51    HA2  GLY   6           HA1      GLY   6  24.698  10.271   3.838
   52    HA3  GLY   6           HA2      GLY   6  26.444  10.547   4.044
   53    H    LEU   7           HN       LEU   7  25.369  11.359   0.957
   54    HA   LEU   7           HA       LEU   7  24.448  14.031   1.497
   55    HB2  LEU   7           HB2      LEU   7  26.855  14.385   1.890
   56    HB3  LEU   7           HB1      LEU   7  27.203  13.633   0.318
   57    HG   LEU   7           HG       LEU   7  26.013  15.453  -0.848
   58   HD11  LEU   7          HD11      LEU   7  24.276  16.175   0.591
   59   HD12  LEU   7          HD12      LEU   7  25.435  17.517   0.689
   60   HD13  LEU   7          HD13      LEU   7  25.361  16.310   1.996
   61   HD21  LEU   7          HD21      LEU   7  28.420  15.713  -0.320
   62   HD22  LEU   7          HD22      LEU   7  27.999  16.473   1.233
   63   HD23  LEU   7          HD23      LEU   7  27.587  17.285  -0.297
   64    H    LEU   8           HN       LEU   8  25.541  11.561  -0.422
   65    HA   LEU   8           HA       LEU   8  24.139  12.583  -2.875
   66    HB2  LEU   8           HB2      LEU   8  26.596  11.664  -2.865
   67    HB3  LEU   8           HB1      LEU   8  25.835  10.067  -2.725
   68    HG   LEU   8           HG       LEU   8  24.359  10.940  -4.791
   69   HD11  LEU   8          HD11      LEU   8  25.696  12.383  -6.308
   70   HD12  LEU   8          HD12      LEU   8  26.927  12.574  -5.037
   71   HD13  LEU   8          HD13      LEU   8  25.293  13.236  -4.801
   72   HD21  LEU   8          HD21      LEU   8  25.894   8.993  -4.845
   73   HD22  LEU   8          HD22      LEU   8  27.275  10.089  -5.089
   74   HD23  LEU   8          HD23      LEU   8  26.017   9.950  -6.341
   75    H    LYS   9           HN       LYS   9  23.537  10.841  -0.138
   76    HA   LYS   9           HA       LYS   9  21.156   9.619  -1.312
   77    HB2  LYS   9           HB2      LYS   9  23.077   7.954  -1.720
   78    HB3  LYS   9           HB1      LYS   9  23.124   7.747   0.045
   79    HG2  LYS   9           HG2      LYS   9  20.796   7.001   0.069
   80    HG3  LYS   9           HG1      LYS   9  20.633   7.341  -1.670
   81    HD2  LYS   9           HD2      LYS   9  22.429   5.669  -2.137
   82    HD3  LYS   9           HD1      LYS   9  22.496   5.290  -0.398
   83    HE2  LYS   9           HE2      LYS   9  20.085   4.656  -0.466
   84    HE3  LYS   9           HE1      LYS   9  20.067   4.974  -2.217
   85    HZ1  LYS   9           HZ1      LYS   9  22.154   3.194  -1.203
   86    HZ2  LYS   9           HZ2      LYS   9  21.273   3.126  -2.655
   87    HZ3  LYS   9           HZ3      LYS   9  20.571   2.587  -1.205
   88    H    SER  10           HN       SER  10  22.947  10.952   1.124
   89    HA   SER  10           HA       SER  10  22.595  11.282   3.413
   90    HB2  SER  10           HB2      SER  10  20.267  11.961   3.947
   91    HB3  SER  10           HB1      SER  10  20.855  12.697   2.440
   92    HG   SER  10           HG       SER  10  19.731  11.083   1.300
   93    H    LEU  11           HN       LEU  11  23.228   8.747   3.293
   94    HA   LEU  11           HA       LEU  11  21.635   7.554   5.408
   95    HB2  LEU  11           HB2      LEU  11  20.415   7.099   3.101
   96    HB3  LEU  11           HB1      LEU  11  21.694   5.896   2.872
   97    HG   LEU  11           HG       LEU  11  19.848   4.736   3.853
   98   HD11  LEU  11          HD11      LEU  11  22.146   4.301   4.823
   99   HD12  LEU  11          HD12      LEU  11  20.787   3.844   5.874
  100   HD13  LEU  11          HD13      LEU  11  21.695   5.335   6.199
  101   HD21  LEU  11          HD21      LEU  11  18.824   6.982   4.785
  102   HD22  LEU  11          HD22      LEU  11  19.729   6.591   6.262
  103   HD23  LEU  11          HD23      LEU  11  18.504   5.465   5.648
  104    H    LEU  12           HN       LEU  12  23.392   7.181   6.630
  105    HA   LEU  12           HA       LEU  12  25.888   6.191   5.477
  106    HB2  LEU  12           HB2      LEU  12  25.163   6.139   8.424
  107    HB3  LEU  12           HB1      LEU  12  26.760   6.358   7.670
  108    HG   LEU  12           HG       LEU  12  24.433   8.331   7.610
  109   HD11  LEU  12          HD11      LEU  12  25.723   8.174   9.750
  110   HD12  LEU  12          HD12      LEU  12  25.933   9.743   8.938
  111   HD13  LEU  12          HD13      LEU  12  27.217   8.514   8.846
  112   HD21  LEU  12          HD21      LEU  12  26.232   9.816   6.512
  113   HD22  LEU  12          HD22      LEU  12  25.552   8.527   5.492
  114   HD23  LEU  12          HD23      LEU  12  27.156   8.319   6.237
  115    H    LYS  13           HN       LYS  13  26.336   4.165   4.951
  116    HA   LYS  13           HA       LYS  13  24.524   2.000   5.543
  117    HB2  LYS  13           HB2      LYS  13  27.432   1.709   4.715
  118    HB3  LYS  13           HB1      LYS  13  26.079   0.601   4.388
  119    HG2  LYS  13           HG2      LYS  13  26.371   3.432   3.284
  120    HG3  LYS  13           HG1      LYS  13  26.647   1.926   2.379
  121    HD2  LYS  13           HD2      LYS  13  24.210   1.301   3.037
  122    HD3  LYS  13           HD1      LYS  13  24.029   3.014   3.482
  123    HE2  LYS  13           HE2      LYS  13  24.920   1.996   0.748
  124    HE3  LYS  13           HE1      LYS  13  23.288   2.583   1.145
  125    HZ1  LYS  13           HZ1      LYS  13  24.446   4.687   1.905
  126    HZ2  LYS  13           HZ2      LYS  13  24.416   4.406   0.229
  127    HZ3  LYS  13           HZ3      LYS  13  25.834   4.109   1.117
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  32.750   4.999 -11.484
    2    H2   PHE   1           HT2      PHE   1  33.297   4.235 -10.068
    3    H3   PHE   1           HT3      PHE   1  34.208   5.486 -10.771
    4    HA   PHE   1           HA       PHE   1  32.955   7.104  -9.947
    5    HB2  PHE   1           HB2      PHE   1  30.613   5.158 -10.030
    6    HB3  PHE   1           HB1      PHE   1  30.520   6.875  -9.570
    7    HD1  PHE   1           HD1      PHE   1  30.976   4.488 -12.352
    8    HD2  PHE   1           HD2      PHE   1  30.868   8.657 -11.241
    9    HE1  PHE   1           HE1      PHE   1  30.784   5.122 -14.754
   10    HE2  PHE   1           HE2      PHE   1  30.676   9.292 -13.645
   11    HZ   PHE   1           HZ       PHE   1  30.552   7.519 -15.392
   12    H    LEU   2           HN       LEU   2  31.731   7.534  -7.814
   13    HA   LEU   2           HA       LEU   2  31.792   5.490  -5.779
   14    HB2  LEU   2           HB2      LEU   2  34.252   5.816  -6.104
   15    HB3  LEU   2           HB1      LEU   2  34.049   7.530  -5.689
   16    HG   LEU   2           HG       LEU   2  33.096   6.827  -3.458
   17   HD11  LEU   2          HD11      LEU   2  33.729   4.082  -4.599
   18   HD12  LEU   2          HD12      LEU   2  32.296   4.617  -3.691
   19   HD13  LEU   2          HD13      LEU   2  33.834   4.358  -2.845
   20   HD21  LEU   2          HD21      LEU   2  35.495   7.448  -3.804
   21   HD22  LEU   2          HD22      LEU   2  35.873   5.732  -4.088
   22   HD23  LEU   2          HD23      LEU   2  35.279   6.261  -2.494
   23    HA   PRO   3           HA       PRO   3  29.033   9.254  -5.261
   24    HB2  PRO   3           HB2      PRO   3  27.762   7.054  -3.607
   25    HB3  PRO   3           HB1      PRO   3  26.977   8.326  -4.601
   26    HG2  PRO   3           HG2      PRO   3  27.191   5.844  -5.530
   27    HG3  PRO   3           HG1      PRO   3  27.475   7.246  -6.610
   28    HD2  PRO   3           HD2      PRO   3  29.481   5.358  -5.383
   29    HD3  PRO   3           HD1      PRO   3  29.540   6.215  -6.960
   30    H    ILE   4           HN       ILE   4  29.037  10.699  -3.575
   31    HA   ILE   4           HA       ILE   4  31.008  10.349  -1.518
   32    HB   ILE   4           HB       ILE   4  28.693  12.330  -1.426
   33   HG12  ILE   4          HG12      ILE   4  31.350  12.530  -2.923
   34   HG13  ILE   4          HG11      ILE   4  29.746  12.375  -3.674
   35   HG21  ILE   4          HG21      ILE   4  31.587  12.650  -0.528
   36   HG22  ILE   4          HG22      ILE   4  30.320  12.024   0.551
   37   HG23  ILE   4          HG23      ILE   4  30.190  13.669  -0.112
   38   HD11  ILE   4           HD1      ILE   4  30.182  14.706  -3.744
   39   HD12  ILE   4           HD2      ILE   4  30.885  14.714  -2.111
   40   HD13  ILE   4           HD3      ILE   4  29.127  14.519  -2.323
   41    H    VAL   5           HN       VAL   5  27.440  10.051  -1.549
   42    HA   VAL   5           HA       VAL   5  26.060   8.901  -0.102
   43    HB   VAL   5           HB       VAL   5  28.361   8.030   1.684
   44   HG11  VAL   5          HG11      VAL   5  26.061   7.465   2.340
   45   HG12  VAL   5          HG12      VAL   5  26.949   5.995   1.890
   46   HG13  VAL   5          HG13      VAL   5  25.775   6.706   0.757
   47   HG21  VAL   5          HG21      VAL   5  29.379   7.332  -0.322
   48   HG22  VAL   5          HG22      VAL   5  27.828   7.168  -1.178
   49   HG23  VAL   5          HG23      VAL   5  28.339   5.932  -0.004
   50    H    GLY   6           HN       GLY   6  25.261   9.062   2.165
   51    HA2  GLY   6           HA1      GLY   6  24.611  10.530   3.843
   52    HA3  GLY   6           HA2      GLY   6  26.353  10.728   4.137
   53    H    LEU   7           HN       LEU   7  25.391  11.514   0.978
   54    HA   LEU   7           HA       LEU   7  24.631  14.250   1.444
   55    HB2  LEU   7           HB2      LEU   7  27.020  14.512   1.888
   56    HB3  LEU   7           HB1      LEU   7  27.391  13.633   0.386
   57    HG   LEU   7           HG       LEU   7  26.442  15.432  -0.968
   58   HD11  LEU   7          HD11      LEU   7  25.762  17.599   0.339
   59   HD12  LEU   7          HD12      LEU   7  25.555  16.513   1.734
   60   HD13  LEU   7          HD13      LEU   7  24.589  16.267   0.259
   61   HD21  LEU   7          HD21      LEU   7  28.168  16.664   1.221
   62   HD22  LEU   7          HD22      LEU   7  28.059  17.172  -0.481
   63   HD23  LEU   7          HD23      LEU   7  28.802  15.609  -0.065
   64    H    LEU   8           HN       LEU   8  25.613  11.688  -0.413
   65    HA   LEU   8           HA       LEU   8  24.061  12.693  -2.801
   66    HB2  LEU   8           HB2      LEU   8  26.755  12.089  -2.772
   67    HB3  LEU   8           HB1      LEU   8  26.083  10.514  -3.238
   68    HG   LEU   8           HG       LEU   8  25.476  13.172  -4.628
   69   HD11  LEU   8          HD11      LEU   8  27.266  10.828  -5.402
   70   HD12  LEU   8          HD12      LEU   8  27.792  12.483  -5.013
   71   HD13  LEU   8          HD13      LEU   8  26.837  12.176  -6.482
   72   HD21  LEU   8          HD21      LEU   8  24.709  10.277  -5.215
   73   HD22  LEU   8          HD22      LEU   8  24.536  11.600  -6.391
   74   HD23  LEU   8          HD23      LEU   8  23.611  11.636  -4.873
   75    H    LYS   9           HN       LYS   9  23.512  10.995  -0.226
   76    HA   LYS   9           HA       LYS   9  21.621   9.244  -1.522
   77    HB2  LYS   9           HB2      LYS   9  23.862   8.003  -1.778
   78    HB3  LYS   9           HB1      LYS   9  23.814   7.792  -0.013
   79    HG2  LYS   9           HG2      LYS   9  21.680   6.603  -0.166
   80    HG3  LYS   9           HG1      LYS   9  21.595   6.914  -1.917
   81    HD2  LYS   9           HD2      LYS   9  23.700   5.622  -2.231
   82    HD3  LYS   9           HD1      LYS   9  23.732   5.274  -0.486
   83    HE2  LYS   9           HE2      LYS   9  22.725   3.361  -1.553
   84    HE3  LYS   9           HE1      LYS   9  21.408   4.257  -0.759
   85    HZ1  LYS   9           HZ1      LYS   9  21.910   3.812  -3.572
   86    HZ2  LYS   9           HZ2      LYS   9  21.525   5.421  -3.188
   87    HZ3  LYS   9           HZ3      LYS   9  20.458   4.167  -2.769
   88    H    SER  10           HN       SER  10  22.929  10.891   1.025
   89    HA   SER  10           HA       SER  10  22.370  11.107   3.289
   90    HB2  SER  10           HB2      SER  10  20.025  11.546   3.639
   91    HB3  SER  10           HB1      SER  10  20.444  12.113   2.007
   92    HG   SER  10           HG       SER  10  19.675  10.028   1.264
   93    H    LEU  11           HN       LEU  11  23.434   9.151   3.990
   94    HA   LEU  11           HA       LEU  11  21.868   6.688   4.228
   95    HB2  LEU  11           HB2      LEU  11  24.489   7.080   4.064
   96    HB3  LEU  11           HB1      LEU  11  24.384   7.251   5.827
   97    HG   LEU  11           HG       LEU  11  23.430   4.859   4.184
   98   HD11  LEU  11          HD11      LEU  11  25.738   5.208   6.149
   99   HD12  LEU  11          HD12      LEU  11  25.887   5.030   4.385
  100   HD13  LEU  11          HD13      LEU  11  25.270   3.680   5.367
  101   HD21  LEU  11          HD21      LEU  11  23.228   3.861   6.577
  102   HD22  LEU  11          HD22      LEU  11  21.961   4.993   6.057
  103   HD23  LEU  11          HD23      LEU  11  23.256   5.547   7.146
  104    H    LEU  12           HN       LEU  12  23.306   8.960   6.621
  105    HA   LEU  12           HA       LEU  12  22.090   7.933   8.928
  106    HB2  LEU  12           HB2      LEU  12  22.397  10.910   8.410
  107    HB3  LEU  12           HB1      LEU  12  22.513  10.044   9.958
  108    HG   LEU  12           HG       LEU  12  24.463   9.905   7.616
  109   HD11  LEU  12          HD11      LEU  12  24.841  10.740  10.524
  110   HD12  LEU  12          HD12      LEU  12  24.586  11.875   9.177
  111   HD13  LEU  12          HD13      LEU  12  26.041  10.851   9.215
  112   HD21  LEU  12          HD21      LEU  12  24.213   8.215  10.140
  113   HD22  LEU  12          HD22      LEU  12  25.765   8.408   9.290
  114   HD23  LEU  12          HD23      LEU  12  24.382   7.665   8.456
  115    H    LYS  13           HN       LYS  13  20.861  10.813   7.149
  116    HA   LYS  13           HA       LYS  13  18.302  10.729   8.451
  117    HB2  LYS  13           HB2      LYS  13  19.101  11.976   5.789
  118    HB3  LYS  13           HB1      LYS  13  17.606  12.322   6.693
  119    HG2  LYS  13           HG2      LYS  13  18.823  13.279   8.530
  120    HG3  LYS  13           HG1      LYS  13  20.375  12.670   7.907
  121    HD2  LYS  13           HD2      LYS  13  20.170  15.066   7.412
  122    HD3  LYS  13           HD1      LYS  13  20.118  14.133   5.899
  123    HE2  LYS  13           HE2      LYS  13  17.541  14.869   7.329
  124    HE3  LYS  13           HE1      LYS  13  18.352  16.041   6.265
  125    HZ1  LYS  13           HZ1      LYS  13  17.390  15.009   4.574
  126    HZ2  LYS  13           HZ2      LYS  13  16.799  13.765   5.569
  127    HZ3  LYS  13           HZ3      LYS  13  18.352  13.647   4.889
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  34.788   3.337  -6.347
    2    H2   PHE   1           HT2      PHE   1  33.543   4.408  -6.784
    3    H3   PHE   1           HT3      PHE   1  33.175   2.928  -6.032
    4    HA   PHE   1           HA       PHE   1  33.109   4.029  -4.157
    5    HB2  PHE   1           HB2      PHE   1  36.094   4.166  -4.731
    6    HB3  PHE   1           HB1      PHE   1  35.356   4.501  -3.146
    7    HD1  PHE   1           HD1      PHE   1  34.416   2.711  -1.784
    8    HD2  PHE   1           HD2      PHE   1  36.018   1.892  -5.707
    9    HE1  PHE   1           HE1      PHE   1  34.369   0.268  -1.293
   10    HE2  PHE   1           HE2      PHE   1  35.971  -0.551  -5.216
   11    HZ   PHE   1           HZ       PHE   1  35.117  -1.364  -3.021
   12    H    LEU   2           HN       LEU   2  33.180   5.681  -6.808
   13    HA   LEU   2           HA       LEU   2  34.289   8.244  -5.973
   14    HB2  LEU   2           HB2      LEU   2  32.228   7.896  -8.169
   15    HB3  LEU   2           HB1      LEU   2  33.563   9.064  -8.058
   16    HG   LEU   2           HG       LEU   2  33.817   6.054  -8.479
   17   HD11  LEU   2          HD11      LEU   2  33.121   7.301 -10.484
   18   HD12  LEU   2          HD12      LEU   2  34.813   6.772 -10.649
   19   HD13  LEU   2          HD13      LEU   2  34.446   8.465 -10.240
   20   HD21  LEU   2          HD21      LEU   2  35.684   6.720  -7.117
   21   HD22  LEU   2          HD22      LEU   2  35.883   8.247  -8.013
   22   HD23  LEU   2          HD23      LEU   2  36.291   6.698  -8.789
   23    HA   PRO   3           HA       PRO   3  29.421   9.029  -5.352
   24    HB2  PRO   3           HB2      PRO   3  29.017   6.504  -3.735
   25    HB3  PRO   3           HB1      PRO   3  27.862   7.374  -4.796
   26    HG2  PRO   3           HG2      PRO   3  29.012   5.130  -5.631
   27    HG3  PRO   3           HG1      PRO   3  28.818   6.517  -6.750
   28    HD2  PRO   3           HD2      PRO   3  31.303   5.584  -5.297
   29    HD3  PRO   3           HD1      PRO   3  31.134   6.211  -6.970
   30    H    ILE   4           HN       ILE   4  29.078  10.419  -3.685
   31    HA   ILE   4           HA       ILE   4  31.032  10.454  -1.519
   32    HB   ILE   4           HB       ILE   4  28.499  12.137  -1.670
   33   HG12  ILE   4          HG12      ILE   4  31.180  12.572  -3.068
   34   HG13  ILE   4          HG11      ILE   4  29.630  12.220  -3.868
   35   HG21  ILE   4          HG21      ILE   4  30.050  12.115   0.389
   36   HG22  ILE   4          HG22      ILE   4  29.739  13.702  -0.352
   37   HG23  ILE   4          HG23      ILE   4  31.279  12.861  -0.661
   38   HD11  ILE   4           HD1      ILE   4  29.842  14.581  -4.023
   39   HD12  ILE   4           HD2      ILE   4  30.450  14.724  -2.358
   40   HD13  ILE   4           HD3      ILE   4  28.736  14.337  -2.652
   41    H    VAL   5           HN       VAL   5  27.438  10.090  -1.632
   42    HA   VAL   5           HA       VAL   5  26.049   8.884  -0.243
   43    HB   VAL   5           HB       VAL   5  28.350   7.884   1.479
   44   HG11  VAL   5          HG11      VAL   5  25.692   6.696   0.569
   45   HG12  VAL   5          HG12      VAL   5  26.070   7.338   2.184
   46   HG13  VAL   5          HG13      VAL   5  26.876   5.868   1.606
   47   HG21  VAL   5          HG21      VAL   5  28.245   5.859  -0.288
   48   HG22  VAL   5          HG22      VAL   5  29.306   7.246  -0.580
   49   HG23  VAL   5          HG23      VAL   5  27.731   7.146  -1.401
   50    H    GLY   6           HN       GLY   6  25.273   8.941   2.045
   51    HA2  GLY   6           HA1      GLY   6  24.699  10.285   3.840
   52    HA3  GLY   6           HA2      GLY   6  26.444  10.580   4.031
   53    H    LEU   7           HN       LEU   7  25.362  11.362   0.947
   54    HA   LEU   7           HA       LEU   7  24.403  14.027   1.473
   55    HB2  LEU   7           HB2      LEU   7  26.930  14.209   1.806
   56    HB3  LEU   7           HB1      LEU   7  27.069  13.780   0.086
   57    HG   LEU   7           HG       LEU   7  25.378  15.784  -0.293
   58   HD11  LEU   7          HD11      LEU   7  25.751  17.618   1.399
   59   HD12  LEU   7          HD12      LEU   7  26.535  16.427   2.460
   60   HD13  LEU   7          HD13      LEU   7  24.816  16.249   2.038
   61   HD21  LEU   7          HD21      LEU   7  27.708  15.793  -1.083
   62   HD22  LEU   7          HD22      LEU   7  28.278  16.235   0.544
   63   HD23  LEU   7          HD23      LEU   7  27.293  17.381  -0.396
   64    H    LEU   8           HN       LEU   8  25.505  11.556  -0.439
   65    HA   LEU   8           HA       LEU   8  24.136  12.573  -2.904
   66    HB2  LEU   8           HB2      LEU   8  26.549  11.547  -2.849
   67    HB3  LEU   8           HB1      LEU   8  25.716   9.988  -2.691
   68    HG   LEU   8           HG       LEU   8  24.308  10.865  -4.790
   69   HD11  LEU   8          HD11      LEU   8  25.257  13.132  -4.871
   70   HD12  LEU   8          HD12      LEU   8  25.744  12.227  -6.321
   71   HD13  LEU   8          HD13      LEU   8  26.902  12.464  -4.992
   72   HD21  LEU   8          HD21      LEU   8  25.971   9.818  -6.304
   73   HD22  LEU   8          HD22      LEU   8  25.788   8.881  -4.802
   74   HD23  LEU   8          HD23      LEU   8  27.205   9.935  -5.027
   75    H    LYS   9           HN       LYS   9  23.438  10.898  -0.147
   76    HA   LYS   9           HA       LYS   9  20.981   9.842  -1.267
   77    HB2  LYS   9           HB2      LYS   9  22.867   8.098  -1.808
   78    HB3  LYS   9           HB1      LYS   9  22.789   7.721  -0.074
   79    HG2  LYS   9           HG2      LYS   9  21.218   6.193  -0.911
   80    HG3  LYS   9           HG1      LYS   9  20.155   7.568  -0.540
   81    HD2  LYS   9           HD2      LYS   9  20.281   8.312  -2.901
   82    HD3  LYS   9           HD1      LYS   9  21.381   6.964  -3.272
   83    HE2  LYS   9           HE2      LYS   9  18.596   6.569  -2.108
   84    HE3  LYS   9           HE1      LYS   9  18.935   6.553  -3.855
   85    HZ1  LYS   9           HZ1      LYS   9  20.309   4.805  -1.877
   86    HZ2  LYS   9           HZ2      LYS   9  20.410   4.721  -3.571
   87    HZ3  LYS   9           HZ3      LYS   9  18.958   4.326  -2.784
   88    H    SER  10           HN       SER  10  22.905  10.989   1.160
   89    HA   SER  10           HA       SER  10  22.598  11.300   3.446
   90    HB2  SER  10           HB2      SER  10  20.650  12.540   2.604
   91    HB3  SER  10           HB1      SER  10  19.683  11.049   2.606
   92    HG   SER  10           HG       SER  10  19.598  12.540   4.522
   93    H    LEU  11           HN       LEU  11  22.723   8.469   2.319
   94    HA   LEU  11           HA       LEU  11  22.467   6.300   3.102
   95    HB2  LEU  11           HB2      LEU  11  23.828   7.559   4.943
   96    HB3  LEU  11           HB1      LEU  11  22.327   7.495   5.891
   97    HG   LEU  11           HG       LEU  11  22.376   4.899   5.240
   98   HD11  LEU  11          HD11      LEU  11  25.308   5.724   4.999
   99   HD12  LEU  11          HD12      LEU  11  24.305   5.003   3.718
  100   HD13  LEU  11          HD13      LEU  11  24.730   4.050   5.157
  101   HD21  LEU  11          HD21      LEU  11  24.257   6.139   7.300
  102   HD22  LEU  11          HD22      LEU  11  23.710   4.446   7.296
  103   HD23  LEU  11          HD23      LEU  11  22.536   5.760   7.543
  104    H    LEU  12           HN       LEU  12  21.091   6.077   5.955
  105    HA   LEU  12           HA       LEU  12  18.570   5.163   4.947
  106    HB2  LEU  12           HB2      LEU  12  19.874   4.639   7.189
  107    HB3  LEU  12           HB1      LEU  12  18.954   6.014   7.836
  108    HG   LEU  12           HG       LEU  12  17.782   3.519   6.519
  109   HD11  LEU  12          HD11      LEU  12  17.008   2.946   8.740
  110   HD12  LEU  12          HD12      LEU  12  17.564   4.505   9.394
  111   HD13  LEU  12          HD13      LEU  12  18.750   3.293   8.856
  112   HD21  LEU  12          HD21      LEU  12  16.542   6.103   7.548
  113   HD22  LEU  12          HD22      LEU  12  15.607   4.589   7.490
  114   HD23  LEU  12          HD23      LEU  12  16.270   5.280   5.994
  115    H    LYS  13           HN       LYS  13  19.236   7.950   7.131
  116    HA   LYS  13           HA       LYS  13  17.601   9.763   5.600
  117    HB2  LYS  13           HB2      LYS  13  15.838   8.215   6.620
  118    HB3  LYS  13           HB1      LYS  13  16.341   8.837   8.208
  119    HG2  LYS  13           HG2      LYS  13  14.583  10.307   7.710
  120    HG3  LYS  13           HG1      LYS  13  15.961  11.222   7.063
  121    HD2  LYS  13           HD2      LYS  13  15.489  10.346   4.794
  122    HD3  LYS  13           HD1      LYS  13  14.138   9.385   5.440
  123    HE2  LYS  13           HE2      LYS  13  13.320  11.494   4.439
  124    HE3  LYS  13           HE1      LYS  13  13.023  11.469   6.194
  125    HZ1  LYS  13           HZ1      LYS  13  14.876  12.870   6.565
  126    HZ2  LYS  13           HZ2      LYS  13  14.003  13.576   5.291
  127    HZ3  LYS  13           HZ3      LYS  13  15.429  12.712   4.970
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1  30.835  12.948 -11.544
    2    H2   PHE   1           HT2      PHE   1  29.537  11.850 -11.555
    3    H3   PHE   1           HT3      PHE   1  31.113  11.306 -11.226
    4    HA   PHE   1           HA       PHE   1  30.889  13.133  -9.352
    5    HB2  PHE   1           HB2      PHE   1  28.105  12.016  -9.867
    6    HB3  PHE   1           HB1      PHE   1  28.598  12.839  -8.366
    7    HD1  PHE   1           HD1      PHE   1  28.809  15.237  -8.272
    8    HD2  PHE   1           HD2      PHE   1  28.209  13.258 -12.062
    9    HE1  PHE   1           HE1      PHE   1  28.412  17.443  -9.361
   10    HE2  PHE   1           HE2      PHE   1  27.811  15.465 -13.150
   11    HZ   PHE   1           HZ       PHE   1  27.860  17.551 -11.788
   12    H    LEU   2           HN       LEU   2  32.067  12.040  -7.947
   13    HA   LEU   2           HA       LEU   2  32.087   9.158  -7.838
   14    HB2  LEU   2           HB2      LEU   2  33.262  11.384  -6.145
   15    HB3  LEU   2           HB1      LEU   2  33.425   9.689  -5.640
   16    HG   LEU   2           HG       LEU   2  34.560   9.120  -7.723
   17   HD11  LEU   2          HD11      LEU   2  33.848  11.981  -8.486
   18   HD12  LEU   2          HD12      LEU   2  33.462  10.478  -9.358
   19   HD13  LEU   2          HD13      LEU   2  35.137  11.073  -9.313
   20   HD21  LEU   2          HD21      LEU   2  35.693  11.743  -6.653
   21   HD22  LEU   2          HD22      LEU   2  36.600  10.420  -7.427
   22   HD23  LEU   2          HD23      LEU   2  35.857  10.175  -5.827
   23    HA   PRO   3           HA       PRO   3  28.759   8.454  -4.977
   24    HB2  PRO   3           HB2      PRO   3  29.518   6.126  -3.747
   25    HB3  PRO   3           HB1      PRO   3  29.025   6.183  -5.471
   26    HG2  PRO   3           HG2      PRO   3  31.796   6.169  -4.285
   27    HG3  PRO   3           HG1      PRO   3  31.147   5.227  -5.665
   28    HD2  PRO   3           HD2      PRO   3  32.623   7.512  -6.022
   29    HD3  PRO   3           HD1      PRO   3  31.314   7.030  -7.151
   30    H    ILE   4           HN       ILE   4  29.060  10.312  -3.651
   31    HA   ILE   4           HA       ILE   4  31.007  10.305  -1.490
   32    HB   ILE   4           HB       ILE   4  28.514  12.048  -1.644
   33   HG12  ILE   4          HG12      ILE   4  31.199  12.407  -3.059
   34   HG13  ILE   4          HG11      ILE   4  29.639  12.079  -3.848
   35   HG21  ILE   4          HG21      ILE   4  30.081  12.006   0.407
   36   HG22  ILE   4          HG22      ILE   4  29.793  13.593  -0.344
   37   HG23  ILE   4          HG23      ILE   4  31.315  12.723  -0.659
   38   HD11  ILE   4           HD1      ILE   4  30.511  14.580  -2.363
   39   HD12  ILE   4           HD2      ILE   4  28.792  14.224  -2.661
   40   HD13  ILE   4           HD3      ILE   4  29.909  14.433  -4.029
   41    H    VAL   5           HN       VAL   5  27.411  10.000  -1.592
   42    HA   VAL   5           HA       VAL   5  26.006   8.832  -0.181
   43    HB   VAL   5           HB       VAL   5  28.286   7.847   1.576
   44   HG11  VAL   5          HG11      VAL   5  26.801   5.849   1.733
   45   HG12  VAL   5          HG12      VAL   5  25.639   6.648   0.649
   46   HG13  VAL   5          HG13      VAL   5  25.984   7.338   2.251
   47   HG21  VAL   5          HG21      VAL   5  27.708   7.071  -1.301
   48   HG22  VAL   5          HG22      VAL   5  28.175   5.789  -0.163
   49   HG23  VAL   5          HG23      VAL   5  29.268   7.154  -0.449
   50    H    GLY   6           HN       GLY   6  25.218   8.952   2.097
   51    HA2  GLY   6           HA1      GLY   6  24.640  10.357   3.849
   52    HA3  GLY   6           HA2      GLY   6  26.390  10.590   4.072
   53    H    LEU   7           HN       LEU   7  25.372  11.378   0.958
   54    HA   LEU   7           HA       LEU   7  24.528  14.088   1.454
   55    HB2  LEU   7           HB2      LEU   7  27.062  14.145   1.798
   56    HB3  LEU   7           HB1      LEU   7  27.184  13.714   0.078
   57    HG   LEU   7           HG       LEU   7  25.640  15.782  -0.349
   58   HD11  LEU   7          HD11      LEU   7  26.058  17.598   1.425
   59   HD12  LEU   7          HD12      LEU   7  26.554  16.289   2.519
   60   HD13  LEU   7          HD13      LEU   7  24.897  16.332   1.874
   61   HD21  LEU   7          HD21      LEU   7  28.483  16.171   0.698
   62   HD22  LEU   7          HD22      LEU   7  27.603  17.303  -0.357
   63   HD23  LEU   7          HD23      LEU   7  28.040  15.686  -0.956
   64    H    LEU   8           HN       LEU   8  25.527  11.552  -0.431
   65    HA   LEU   8           HA       LEU   8  24.081  12.580  -2.862
   66    HB2  LEU   8           HB2      LEU   8  26.565  11.753  -2.937
   67    HB3  LEU   8           HB1      LEU   8  25.869  10.127  -2.786
   68    HG   LEU   8           HG       LEU   8  24.311  10.912  -4.802
   69   HD11  LEU   8          HD11      LEU   8  24.998  13.258  -4.891
   70   HD12  LEU   8          HD12      LEU   8  25.574  12.437  -6.357
   71   HD13  LEU   8          HD13      LEU   8  26.707  12.791  -5.034
   72   HD21  LEU   8          HD21      LEU   8  27.273  10.292  -5.192
   73   HD22  LEU   8          HD22      LEU   8  25.995  10.069  -6.410
   74   HD23  LEU   8          HD23      LEU   8  25.988   9.092  -4.922
   75    H    LYS   9           HN       LYS   9  23.677  10.742  -0.149
   76    HA   LYS   9           HA       LYS   9  21.310   9.402  -1.301
   77    HB2  LYS   9           HB2      LYS   9  23.643   7.881  -0.086
   78    HB3  LYS   9           HB1      LYS   9  21.999   7.208  -0.160
   79    HG2  LYS   9           HG2      LYS   9  22.017   7.597  -2.656
   80    HG3  LYS   9           HG1      LYS   9  23.712   8.106  -2.518
   81    HD2  LYS   9           HD2      LYS   9  23.924   5.828  -3.084
   82    HD3  LYS   9           HD1      LYS   9  24.076   5.796  -1.315
   83    HE2  LYS   9           HE2      LYS   9  21.774   5.069  -1.061
   84    HE3  LYS   9           HE1      LYS   9  21.437   5.344  -2.786
   85    HZ1  LYS   9           HZ1      LYS   9  21.840   3.096  -2.701
   86    HZ2  LYS   9           HZ2      LYS   9  23.049   3.226  -1.515
   87    HZ3  LYS   9           HZ3      LYS   9  23.373   3.690  -3.118
   88    H    SER  10           HN       SER  10  22.956  10.993   1.082
   89    HA   SER  10           HA       SER  10  22.550  11.397   3.358
   90    HB2  SER  10           HB2      SER  10  20.810  12.689   2.036
   91    HB3  SER  10           HB1      SER  10  19.664  11.386   2.418
   92    HG   SER  10           HG       SER  10  19.420  12.757   4.077
   93    H    LEU  11           HN       LEU  11  22.829   8.611   2.920
   94    HA   LEU  11           HA       LEU  11  22.329   6.576   3.921
   95    HB2  LEU  11           HB2      LEU  11  21.131   8.176   6.205
   96    HB3  LEU  11           HB1      LEU  11  22.005   6.627   6.270
   97    HG   LEU  11           HG       LEU  11  23.183   9.348   5.549
   98   HD11  LEU  11          HD11      LEU  11  24.397   9.137   7.634
   99   HD12  LEU  11          HD12      LEU  11  23.801   7.478   7.874
  100   HD13  LEU  11          HD13      LEU  11  22.676   8.853   7.987
  101   HD21  LEU  11          HD21      LEU  11  24.353   7.744   4.211
  102   HD22  LEU  11          HD22      LEU  11  24.336   6.526   5.511
  103   HD23  LEU  11          HD23      LEU  11  25.371   7.968   5.652
  104    H    LEU  12           HN       LEU  12  20.053   6.449   5.998
  105    HA   LEU  12           HA       LEU  12  18.087   5.322   4.261
  106    HB2  LEU  12           HB2      LEU  12  17.540   6.409   7.045
  107    HB3  LEU  12           HB1      LEU  12  16.737   5.056   6.216
  108    HG   LEU  12           HG       LEU  12  19.630   5.145   7.179
  109   HD11  LEU  12          HD11      LEU  12  18.884   3.313   8.663
  110   HD12  LEU  12          HD12      LEU  12  17.238   3.438   7.997
  111   HD13  LEU  12          HD13      LEU  12  17.920   4.784   8.941
  112   HD21  LEU  12          HD21      LEU  12  18.098   3.142   5.470
  113   HD22  LEU  12          HD22      LEU  12  19.505   2.651   6.444
  114   HD23  LEU  12          HD23      LEU  12  19.694   3.869   5.164
  115    H    LYS  13           HN       LYS  13  15.821   5.997   4.031
  116    HA   LYS  13           HA       LYS  13  14.325   7.539   3.152
  117    HB2  LYS  13           HB2      LYS  13  15.504   9.189   5.421
  118    HB3  LYS  13           HB1      LYS  13  14.043   9.635   4.504
  119    HG2  LYS  13           HG2      LYS  13  13.002   7.459   5.157
  120    HG3  LYS  13           HG1      LYS  13  14.442   7.089   6.137
  121    HD2  LYS  13           HD2      LYS  13  14.051   9.139   7.482
  122    HD3  LYS  13           HD1      LYS  13  12.599   9.490   6.513
  123    HE2  LYS  13           HE2      LYS  13  11.698   7.221   7.201
  124    HE3  LYS  13           HE1      LYS  13  13.074   7.084   8.321
  125    HZ1  LYS  13           HZ1      LYS  13  12.109   8.474   9.746
  126    HZ2  LYS  13           HZ2      LYS  13  10.680   8.294   8.845
  127    HZ3  LYS  13           HZ3      LYS  13  11.721   9.603   8.541
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  32.358   9.025 -12.025
    2    H2   PHE   1           HT2      PHE   1  31.026   9.991 -11.604
    3    H3   PHE   1           HT3      PHE   1  31.001   8.320 -11.295
    4    HA   PHE   1           HA       PHE   1  33.206   9.019 -10.005
    5    HB2  PHE   1           HB2      PHE   1  32.639  11.069  -8.724
    6    HB3  PHE   1           HB1      PHE   1  32.844  11.405 -10.460
    7    HD1  PHE   1           HD1      PHE   1  30.400  11.068  -7.689
    8    HD2  PHE   1           HD2      PHE   1  30.934  11.984 -11.872
    9    HE1  PHE   1           HE1      PHE   1  28.088  11.992  -7.783
   10    HE2  PHE   1           HE2      PHE   1  28.622  12.908 -11.966
   11    HZ   PHE   1           HZ       PHE   1  27.219  12.962  -9.907
   12    H    LEU   2           HN       LEU   2  33.081   7.848  -8.203
   13    HA   LEU   2           HA       LEU   2  30.701   6.500  -7.474
   14    HB2  LEU   2           HB2      LEU   2  31.932   5.646  -5.603
   15    HB3  LEU   2           HB1      LEU   2  33.095   5.849  -6.924
   16    HG   LEU   2           HG       LEU   2  32.688   7.779  -4.584
   17   HD11  LEU   2          HD11      LEU   2  34.983   5.911  -5.314
   18   HD12  LEU   2          HD12      LEU   2  33.807   5.643  -4.003
   19   HD13  LEU   2          HD13      LEU   2  34.934   7.019  -3.922
   20   HD21  LEU   2          HD21      LEU   2  34.875   8.751  -5.580
   21   HD22  LEU   2          HD22      LEU   2  33.376   9.113  -6.460
   22   HD23  LEU   2          HD23      LEU   2  34.473   7.844  -7.056
   23    HA   PRO   3           HA       PRO   3  28.544   9.569  -5.094
   24    HB2  PRO   3           HB2      PRO   3  26.956   8.035  -3.467
   25    HB3  PRO   3           HB1      PRO   3  26.684   8.160  -5.236
   26    HG2  PRO   3           HG2      PRO   3  28.092   5.999  -3.677
   27    HG3  PRO   3           HG1      PRO   3  26.897   5.848  -5.004
   28    HD2  PRO   3           HD2      PRO   3  29.597   5.610  -5.433
   29    HD3  PRO   3           HD1      PRO   3  28.486   6.284  -6.669
   30    H    ILE   4           HN       ILE   4  28.809  10.748  -3.236
   31    HA   ILE   4           HA       ILE   4  30.965   9.929  -1.454
   32    HB   ILE   4           HB       ILE   4  29.052  12.300  -1.310
   33   HG12  ILE   4          HG12      ILE   4  31.984  12.250  -2.168
   34   HG13  ILE   4          HG11      ILE   4  30.667  12.015  -3.337
   35   HG21  ILE   4          HG21      ILE   4  29.961  11.919   0.896
   36   HG22  ILE   4          HG22      ILE   4  30.921  13.229   0.179
   37   HG23  ILE   4          HG23      ILE   4  31.578  11.578   0.237
   38   HD11  ILE   4           HD1      ILE   4  29.705  14.259  -2.332
   39   HD12  ILE   4           HD2      ILE   4  31.069  14.334  -3.469
   40   HD13  ILE   4           HD3      ILE   4  31.361  14.492  -1.725
   41    H    VAL   5           HN       VAL   5  27.419   9.961  -1.339
   42    HA   VAL   5           HA       VAL   5  26.022   8.848   0.115
   43    HB   VAL   5           HB       VAL   5  28.269   8.028   1.983
   44   HG11  VAL   5          HG11      VAL   5  25.956   7.538   2.639
   45   HG12  VAL   5          HG12      VAL   5  26.814   6.030   2.267
   46   HG13  VAL   5          HG13      VAL   5  25.670   6.713   1.091
   47   HG21  VAL   5          HG21      VAL   5  28.182   5.836   0.371
   48   HG22  VAL   5          HG22      VAL   5  29.323   7.157   0.071
   49   HG23  VAL   5          HG23      VAL   5  27.806   7.069  -0.854
   50    H    GLY   6           HN       GLY   6  25.170   9.121   2.321
   51    HA2  GLY   6           HA1      GLY   6  24.444  10.710   3.858
   52    HA3  GLY   6           HA2      GLY   6  26.165  10.800   4.299
   53    H    LEU   7           HN       LEU   7  25.412  11.574   1.049
   54    HA   LEU   7           HA       LEU   7  24.930  14.385   1.457
   55    HB2  LEU   7           HB2      LEU   7  27.367  14.283   1.889
   56    HB3  LEU   7           HB1      LEU   7  27.569  13.502   0.304
   57    HG   LEU   7           HG       LEU   7  26.674  15.529  -0.818
   58   HD11  LEU   7          HD11      LEU   7  25.172  16.566   0.683
   59   HD12  LEU   7          HD12      LEU   7  26.583  17.641   0.774
   60   HD13  LEU   7          HD13      LEU   7  26.297  16.439   2.056
   61   HD21  LEU   7          HD21      LEU   7  29.133  15.239  -0.247
   62   HD22  LEU   7          HD22      LEU   7  28.856  16.272   1.176
   63   HD23  LEU   7          HD23      LEU   7  28.616  16.929  -0.461
   64    H    LEU   8           HN       LEU   8  25.589  11.711  -0.386
   65    HA   LEU   8           HA       LEU   8  23.945  12.816  -2.660
   66    HB2  LEU   8           HB2      LEU   8  26.538  11.247  -2.908
   67    HB3  LEU   8           HB1      LEU   8  25.455  11.646  -4.259
   68    HG   LEU   8           HG       LEU   8  26.760  13.709  -2.422
   69   HD11  LEU   8          HD11      LEU   8  28.308  14.136  -4.267
   70   HD12  LEU   8          HD12      LEU   8  27.495  12.915  -5.274
   71   HD13  LEU   8          HD13      LEU   8  28.391  12.417  -3.821
   72   HD21  LEU   8          HD21      LEU   8  24.890  14.815  -3.346
   73   HD22  LEU   8          HD22      LEU   8  24.931  13.862  -4.848
   74   HD23  LEU   8          HD23      LEU   8  26.125  15.152  -4.576
   75    H    LYS   9           HN       LYS   9  23.587  10.791  -0.290
   76    HA   LYS   9           HA       LYS   9  21.892   9.043  -1.821
   77    HB2  LYS   9           HB2      LYS   9  24.295   8.108  -2.239
   78    HB3  LYS   9           HB1      LYS   9  24.200   7.538  -0.562
   79    HG2  LYS   9           HG2      LYS   9  22.247   6.185  -1.053
   80    HG3  LYS   9           HG1      LYS   9  22.101   6.891  -2.679
   81    HD2  LYS   9           HD2      LYS   9  23.154   4.684  -2.836
   82    HD3  LYS   9           HD1      LYS   9  24.334   5.942  -3.268
   83    HE2  LYS   9           HE2      LYS   9  25.517   5.707  -1.232
   84    HE3  LYS   9           HE1      LYS   9  24.145   4.920  -0.412
   85    HZ1  LYS   9           HZ1      LYS   9  25.498   3.689  -2.746
   86    HZ2  LYS   9           HZ2      LYS   9  24.488   2.951  -1.597
   87    HZ3  LYS   9           HZ3      LYS   9  26.054   3.449  -1.162
   88    H    SER  10           HN       SER  10  22.823  10.506   0.990
   89    HA   SER  10           HA       SER  10  20.657   9.184   2.458
   90    HB2  SER  10           HB2      SER  10  22.184   7.510   3.080
   91    HB3  SER  10           HB1      SER  10  23.551   8.643   3.141
   92    HG   SER  10           HG       SER  10  21.298   8.819   4.865
   93    H    LEU  11           HN       LEU  11  22.963  11.677   1.949
   94    HA   LEU  11           HA       LEU  11  23.271  13.739   2.985
   95    HB2  LEU  11           HB2      LEU  11  20.372  13.507   3.847
   96    HB3  LEU  11           HB1      LEU  11  21.281  14.969   3.395
   97    HG   LEU  11           HG       LEU  11  20.478  12.680   1.543
   98   HD11  LEU  11          HD11      LEU  11  19.660  15.620   1.662
   99   HD12  LEU  11          HD12      LEU  11  18.649  14.239   2.155
  100   HD13  LEU  11          HD13      LEU  11  19.115  14.437   0.448
  101   HD21  LEU  11          HD21      LEU  11  21.413  14.335  -0.223
  102   HD22  LEU  11          HD22      LEU  11  22.603  13.440   0.749
  103   HD23  LEU  11          HD23      LEU  11  22.235  15.138   1.138
  104    H    LEU  12           HN       LEU  12  22.066  14.940   5.210
  105    HA   LEU  12           HA       LEU  12  23.634  13.732   7.327
  106    HB2  LEU  12           HB2      LEU  12  21.626  16.008   7.199
  107    HB3  LEU  12           HB1      LEU  12  22.349  15.493   8.740
  108    HG   LEU  12           HG       LEU  12  24.605  15.907   7.860
  109   HD11  LEU  12          HD11      LEU  12  24.467  15.399   5.541
  110   HD12  LEU  12          HD12      LEU  12  24.705  17.160   5.579
  111   HD13  LEU  12          HD13      LEU  12  23.081  16.488   5.291
  112   HD21  LEU  12          HD21      LEU  12  24.438  18.374   7.611
  113   HD22  LEU  12          HD22      LEU  12  23.376  17.780   8.910
  114   HD23  LEU  12          HD23      LEU  12  22.687  18.224   7.330
  115    H    LYS  13           HN       LYS  13  20.963  12.546   5.960
  116    HA   LYS  13           HA       LYS  13  20.254  10.988   8.324
  117    HB2  LYS  13           HB2      LYS  13  17.781  11.697   8.169
  118    HB3  LYS  13           HB1      LYS  13  18.901  12.840   8.951
  119    HG2  LYS  13           HG2      LYS  13  19.023  14.218   6.986
  120    HG3  LYS  13           HG1      LYS  13  18.209  12.987   5.990
  121    HD2  LYS  13           HD2      LYS  13  16.624  14.775   6.574
  122    HD3  LYS  13           HD1      LYS  13  16.150  13.257   7.371
  123    HE2  LYS  13           HE2      LYS  13  16.911  13.995   9.493
  124    HE3  LYS  13           HE1      LYS  13  17.910  15.291   8.790
  125    HZ1  LYS  13           HZ1      LYS  13  16.120  16.630   8.494
  126    HZ2  LYS  13           HZ2      LYS  13  15.542  15.753   9.828
  127    HZ3  LYS  13           HZ3      LYS  13  15.030  15.352   8.259
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  29.955  10.257  -9.371
    2    H2   PHE   1           HT2      PHE   1  29.870   8.694 -10.033
    3    H3   PHE   1           HT3      PHE   1  30.134  10.037 -11.042
    4    HA   PHE   1           HA       PHE   1  32.061   8.478 -10.266
    5    HB2  PHE   1           HB2      PHE   1  33.585  10.403 -10.625
    6    HB3  PHE   1           HB1      PHE   1  32.273  10.361 -11.829
    7    HD1  PHE   1           HD1      PHE   1  30.261  11.864 -11.536
    8    HD2  PHE   1           HD2      PHE   1  33.798  12.244  -9.091
    9    HE1  PHE   1           HE1      PHE   1  29.543  14.150 -10.853
   10    HE2  PHE   1           HE2      PHE   1  33.081  14.531  -8.409
   11    HZ   PHE   1           HZ       PHE   1  30.992  15.511  -9.350
   12    H    LEU   2           HN       LEU   2  33.100   7.836  -8.498
   13    HA   LEU   2           HA       LEU   2  33.700   7.723  -6.256
   14    HB2  LEU   2           HB2      LEU   2  34.056  10.666  -6.908
   15    HB3  LEU   2           HB1      LEU   2  34.419  10.040  -5.284
   16    HG   LEU   2           HG       LEU   2  36.046   8.465  -6.196
   17   HD11  LEU   2          HD11      LEU   2  35.013   9.489  -8.870
   18   HD12  LEU   2          HD12      LEU   2  35.100   7.808  -8.290
   19   HD13  LEU   2          HD13      LEU   2  36.590   8.679  -8.712
   20   HD21  LEU   2          HD21      LEU   2  36.479  11.171  -7.532
   21   HD22  LEU   2          HD22      LEU   2  37.722  10.043  -6.941
   22   HD23  LEU   2          HD23      LEU   2  36.674  10.899  -5.784
   23    HA   PRO   3           HA       PRO   3  29.205   8.739  -5.185
   24    HB2  PRO   3           HB2      PRO   3  29.911   6.219  -3.654
   25    HB3  PRO   3           HB1      PRO   3  28.358   6.682  -4.424
   26    HG2  PRO   3           HG2      PRO   3  29.997   4.957  -5.623
   27    HG3  PRO   3           HG1      PRO   3  29.135   6.206  -6.573
   28    HD2  PRO   3           HD2      PRO   3  32.042   6.093  -5.788
   29    HD3  PRO   3           HD1      PRO   3  31.284   6.809  -7.248
   30    H    ILE   4           HN       ILE   4  29.035  10.331  -3.727
   31    HA   ILE   4           HA       ILE   4  30.963  10.639  -1.570
   32    HB   ILE   4           HB       ILE   4  28.279  12.063  -1.807
   33   HG12  ILE   4          HG12      ILE   4  30.926  12.704  -3.190
   34   HG13  ILE   4          HG11      ILE   4  29.438  12.152  -3.994
   35   HG21  ILE   4          HG21      ILE   4  30.964  13.092  -0.803
   36   HG22  ILE   4          HG22      ILE   4  29.792  12.288   0.268
   37   HG23  ILE   4          HG23      ILE   4  29.351  13.801  -0.554
   38   HD11  ILE   4           HD1      ILE   4  29.396  14.510  -4.262
   39   HD12  ILE   4           HD2      ILE   4  29.968  14.798  -2.603
   40   HD13  ILE   4           HD3      ILE   4  28.306  14.220  -2.886
   41    H    VAL   5           HN       VAL   5  27.427   9.983  -1.647
   42    HA   VAL   5           HA       VAL   5  26.116   8.749  -0.209
   43    HB   VAL   5           HB       VAL   5  28.494   7.917   1.499
   44   HG11  VAL   5          HG11      VAL   5  25.900   6.555   0.642
   45   HG12  VAL   5          HG12      VAL   5  26.258   7.247   2.241
   46   HG13  VAL   5          HG13      VAL   5  27.145   5.817   1.678
   47   HG21  VAL   5          HG21      VAL   5  27.875   7.074  -1.355
   48   HG22  VAL   5          HG22      VAL   5  28.508   5.860  -0.221
   49   HG23  VAL   5          HG23      VAL   5  29.454   7.316  -0.573
   50    H    GLY   6           HN       GLY   6  25.363   8.797   2.076
   51    HA2  GLY   6           HA1      GLY   6  24.689  10.164   3.822
   52    HA3  GLY   6           HA2      GLY   6  26.423  10.485   4.061
   53    H    LEU   7           HN       LEU   7  25.326  11.239   0.953
   54    HA   LEU   7           HA       LEU   7  24.360  13.898   1.464
   55    HB2  LEU   7           HB2      LEU   7  26.882  14.100   1.816
   56    HB3  LEU   7           HB1      LEU   7  27.038  13.669   0.099
   57    HG   LEU   7           HG       LEU   7  25.346  15.657  -0.311
   58   HD11  LEU   7          HD11      LEU   7  26.426  16.297   2.476
   59   HD12  LEU   7          HD12      LEU   7  24.720  16.136   1.995
   60   HD13  LEU   7          HD13      LEU   7  25.687  17.499   1.395
   61   HD21  LEU   7          HD21      LEU   7  28.216  16.165   0.600
   62   HD22  LEU   7          HD22      LEU   7  27.240  17.264  -0.403
   63   HD23  LEU   7          HD23      LEU   7  27.710  15.666  -1.032
   64    H    LEU   8           HN       LEU   8  25.492  11.435  -0.441
   65    HA   LEU   8           HA       LEU   8  24.263  12.457  -2.941
   66    HB2  LEU   8           HB2      LEU   8  26.441  11.335  -3.129
   67    HB3  LEU   8           HB1      LEU   8  25.783   9.897  -2.322
   68    HG   LEU   8           HG       LEU   8  24.288   9.451  -4.190
   69   HD11  LEU   8          HD11      LEU   8  25.234  12.179  -5.148
   70   HD12  LEU   8          HD12      LEU   8  23.570  11.568  -4.993
   71   HD13  LEU   8          HD13      LEU   8  24.613  10.974  -6.302
   72   HD21  LEU   8          HD21      LEU   8  26.673   8.705  -4.327
   73   HD22  LEU   8          HD22      LEU   8  27.055  10.188  -5.235
   74   HD23  LEU   8          HD23      LEU   8  25.946   8.983  -5.928
   75    H    LYS   9           HN       LYS   9  23.495  10.755  -0.212
   76    HA   LYS   9           HA       LYS   9  20.845  10.069  -1.243
   77    HB2  LYS   9           HB2      LYS   9  22.289   8.099  -1.916
   78    HB3  LYS   9           HB1      LYS   9  22.590   7.813  -0.187
   79    HG2  LYS   9           HG2      LYS   9  20.279   7.346   0.245
   80    HG3  LYS   9           HG1      LYS   9  19.775   7.986  -1.337
   81    HD2  LYS   9           HD2      LYS   9  20.829   6.145  -2.499
   82    HD3  LYS   9           HD1      LYS   9  21.603   5.574  -1.001
   83    HE2  LYS   9           HE2      LYS   9  19.572   4.238  -1.586
   84    HE3  LYS   9           HE1      LYS   9  19.409   5.068  -0.020
   85    HZ1  LYS   9           HZ1      LYS   9  17.672   5.233  -2.125
   86    HZ2  LYS   9           HZ2      LYS   9  18.542   6.690  -2.218
   87    HZ3  LYS   9           HZ3      LYS   9  17.723   6.276  -0.789
   88    H    SER  10           HN       SER  10  22.982  10.965   1.111
   89    HA   SER  10           HA       SER  10  22.746  11.437   3.372
   90    HB2  SER  10           HB2      SER  10  19.760  11.171   2.886
   91    HB3  SER  10           HB1      SER  10  20.577  12.122   4.146
   92    HG   SER  10           HG       SER  10  20.087  12.713   1.514
   93    H    LEU  11           HN       LEU  11  22.920   8.621   2.432
   94    HA   LEU  11           HA       LEU  11  21.210   6.946   3.982
   95    HB2  LEU  11           HB2      LEU  11  22.672   6.171   2.116
   96    HB3  LEU  11           HB1      LEU  11  24.095   6.454   3.140
   97    HG   LEU  11           HG       LEU  11  23.190   4.812   4.806
   98   HD11  LEU  11          HD11      LEU  11  20.847   4.722   4.535
   99   HD12  LEU  11          HD12      LEU  11  21.354   3.233   3.710
  100   HD13  LEU  11          HD13      LEU  11  20.948   4.681   2.758
  101   HD21  LEU  11          HD21      LEU  11  23.710   2.820   3.459
  102   HD22  LEU  11          HD22      LEU  11  24.797   4.158   3.014
  103   HD23  LEU  11          HD23      LEU  11  23.426   3.737   1.960
  104    H    LEU  12           HN       LEU  12  24.542   8.117   4.646
  105    HA   LEU  12           HA       LEU  12  24.527   7.048   7.343
  106    HB2  LEU  12           HB2      LEU  12  26.522   7.690   5.724
  107    HB3  LEU  12           HB1      LEU  12  26.339   9.302   6.434
  108    HG   LEU  12           HG       LEU  12  28.011   8.182   7.729
  109   HD11  LEU  12          HD11      LEU  12  27.089   8.224   9.946
  110   HD12  LEU  12          HD12      LEU  12  25.453   7.859   9.353
  111   HD13  LEU  12          HD13      LEU  12  26.203   9.432   8.989
  112   HD21  LEU  12          HD21      LEU  12  26.177   5.851   8.412
  113   HD22  LEU  12          HD22      LEU  12  27.944   5.962   8.517
  114   HD23  LEU  12          HD23      LEU  12  27.159   5.816   6.931
  115    H    LYS  13           HN       LYS  13  23.131   7.784   8.819
  116    HA   LYS  13           HA       LYS  13  22.011  10.441   8.750
  117    HB2  LYS  13           HB2      LYS  13  21.228   9.844  11.086
  118    HB3  LYS  13           HB1      LYS  13  20.772   8.677   9.823
  119    HG2  LYS  13           HG2      LYS  13  22.574   7.182  10.456
  120    HG3  LYS  13           HG1      LYS  13  23.247   8.389  11.578
  121    HD2  LYS  13           HD2      LYS  13  21.286   8.241  13.009
  122    HD3  LYS  13           HD1      LYS  13  20.458   7.188  11.837
  123    HE2  LYS  13           HE2      LYS  13  23.073   6.490  13.241
  124    HE3  LYS  13           HE1      LYS  13  21.468   5.914  13.749
  125    HZ1  LYS  13           HZ1      LYS  13  21.802   4.253  12.324
  126    HZ2  LYS  13           HZ2      LYS  13  23.138   5.011  11.598
  127    HZ3  LYS  13           HZ3      LYS  13  21.563   5.374  11.074
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  36.299  12.353  -6.736
    2    H2   PHE   1           HT2      PHE   1  35.622  10.795  -6.796
    3    H3   PHE   1           HT3      PHE   1  37.064  11.068  -5.939
    4    HA   PHE   1           HA       PHE   1  35.421  10.901  -4.334
    5    HB2  PHE   1           HB2      PHE   1  35.803  13.869  -4.884
    6    HB3  PHE   1           HB1      PHE   1  35.472  13.099  -3.315
    7    HD1  PHE   1           HD1      PHE   1  37.208  11.872  -2.112
    8    HD2  PHE   1           HD2      PHE   1  38.003  13.619  -5.980
    9    HE1  PHE   1           HE1      PHE   1  39.653  11.530  -1.766
   10    HE2  PHE   1           HE2      PHE   1  40.446  13.278  -5.632
   11    HZ   PHE   1           HZ       PHE   1  41.271  12.239  -3.522
   12    H    LEU   2           HN       LEU   2  34.031  10.724  -6.905
   13    HA   LEU   2           HA       LEU   2  31.795  12.609  -6.779
   14    HB2  LEU   2           HB2      LEU   2  32.419  10.144  -8.438
   15    HB3  LEU   2           HB1      LEU   2  30.826  10.928  -8.516
   16    HG   LEU   2           HG       LEU   2  31.838  13.038  -9.200
   17   HD11  LEU   2          HD11      LEU   2  34.443  11.565  -8.642
   18   HD12  LEU   2          HD12      LEU   2  33.893  13.130  -7.995
   19   HD13  LEU   2          HD13      LEU   2  34.383  12.997  -9.698
   20   HD21  LEU   2          HD21      LEU   2  33.066  10.713 -10.753
   21   HD22  LEU   2          HD22      LEU   2  32.756  12.352 -11.378
   22   HD23  LEU   2          HD23      LEU   2  31.394  11.295 -10.936
   23    HA   PRO   3           HA       PRO   3  29.537   8.933  -4.815
   24    HB2  PRO   3           HB2      PRO   3  30.818   6.750  -3.907
   25    HB3  PRO   3           HB1      PRO   3  30.571   7.000  -5.667
   26    HG2  PRO   3           HG2      PRO   3  33.048   7.388  -4.014
   27    HG3  PRO   3           HG1      PRO   3  32.877   6.776  -5.688
   28    HD2  PRO   3           HD2      PRO   3  33.531   9.456  -4.933
   29    HD3  PRO   3           HD1      PRO   3  33.052   8.908  -6.571
   30    H    ILE   4           HN       ILE   4  28.711   9.110  -2.784
   31    HA   ILE   4           HA       ILE   4  30.560   9.343  -0.457
   32    HB   ILE   4           HB       ILE   4  28.390  11.438  -0.893
   33   HG12  ILE   4          HG12      ILE   4  31.368  11.571  -1.555
   34   HG13  ILE   4          HG11      ILE   4  30.016  11.723  -2.700
   35   HG21  ILE   4          HG21      ILE   4  30.871  11.516   0.870
   36   HG22  ILE   4          HG22      ILE   4  29.323  10.840   1.433
   37   HG23  ILE   4          HG23      ILE   4  29.425  12.551   0.956
   38   HD11  ILE   4           HD1      ILE   4  30.668  13.966  -2.275
   39   HD12  ILE   4           HD2      ILE   4  30.883  13.666  -0.535
   40   HD13  ILE   4           HD3      ILE   4  29.245  13.728  -1.232
   41    H    VAL   5           HN       VAL   5  27.145   9.609  -1.548
   42    HA   VAL   5           HA       VAL   5  25.279   8.472  -0.839
   43    HB   VAL   5           HB       VAL   5  26.909   6.842   1.143
   44   HG11  VAL   5          HG11      VAL   5  25.133   5.155   0.662
   45   HG12  VAL   5          HG12      VAL   5  24.352   6.316  -0.436
   46   HG13  VAL   5          HG13      VAL   5  24.458   6.667   1.304
   47   HG21  VAL   5          HG21      VAL   5  26.936   5.131  -0.852
   48   HG22  VAL   5          HG22      VAL   5  28.126   6.445  -0.869
   49   HG23  VAL   5          HG23      VAL   5  26.668   6.557  -1.881
   50    H    GLY   6           HN       GLY   6  27.411  10.103   1.089
   51    HA2  GLY   6           HA1      GLY   6  25.544  10.367   3.397
   52    HA3  GLY   6           HA2      GLY   6  27.208  10.989   3.301
   53    H    LEU   7           HN       LEU   7  25.985  11.616   0.379
   54    HA   LEU   7           HA       LEU   7  24.564  14.109   1.087
   55    HB2  LEU   7           HB2      LEU   7  27.053  14.585   0.842
   56    HB3  LEU   7           HB1      LEU   7  26.886  14.033  -0.840
   57    HG   LEU   7           HG       LEU   7  24.969  15.820  -1.014
   58   HD11  LEU   7          HD11      LEU   7  24.693  16.415   1.319
   59   HD12  LEU   7          HD12      LEU   7  25.432  17.810   0.506
   60   HD13  LEU   7          HD13      LEU   7  26.433  16.732   1.506
   61   HD21  LEU   7          HD21      LEU   7  27.167  15.998  -2.148
   62   HD22  LEU   7          HD22      LEU   7  27.873  16.696  -0.671
   63   HD23  LEU   7          HD23      LEU   7  26.615  17.585  -1.564
   64    H    LEU   8           HN       LEU   8  25.482  11.648  -0.931
   65    HA   LEU   8           HA       LEU   8  23.649  12.423  -3.153
   66    HB2  LEU   8           HB2      LEU   8  25.734  10.259  -2.743
   67    HB3  LEU   8           HB1      LEU   8  24.534  10.105  -4.047
   68    HG   LEU   8           HG       LEU   8  25.238  12.227  -5.022
   69   HD11  LEU   8          HD11      LEU   8  27.003  12.392  -2.549
   70   HD12  LEU   8          HD12      LEU   8  25.761  13.549  -3.080
   71   HD13  LEU   8          HD13      LEU   8  27.278  13.388  -3.996
   72   HD21  LEU   8          HD21      LEU   8  27.682  10.568  -4.261
   73   HD22  LEU   8          HD22      LEU   8  27.521  11.626  -5.683
   74   HD23  LEU   8          HD23      LEU   8  26.536  10.148  -5.555
   75    H    LYS   9           HN       LYS   9  23.343  11.034  -0.175
   76    HA   LYS   9           HA       LYS   9  20.715  10.037  -0.758
   77    HB2  LYS   9           HB2      LYS   9  22.341   8.179  -1.635
   78    HB3  LYS   9           HB1      LYS   9  22.592   7.813   0.085
   79    HG2  LYS   9           HG2      LYS   9  20.045   7.664   0.304
   80    HG3  LYS   9           HG1      LYS   9  19.964   7.753  -1.467
   81    HD2  LYS   9           HD2      LYS   9  21.681   5.673  -0.046
   82    HD3  LYS   9           HD1      LYS   9  19.960   5.394  -0.382
   83    HE2  LYS   9           HE2      LYS   9  22.125   5.999  -2.446
   84    HE3  LYS   9           HE1      LYS   9  21.313   4.440  -2.188
   85    HZ1  LYS   9           HZ1      LYS   9  20.282   6.902  -3.407
   86    HZ2  LYS   9           HZ2      LYS   9  19.192   5.924  -2.547
   87    HZ3  LYS   9           HZ3      LYS   9  20.053   5.286  -3.866
   88    H    SER  10           HN       SER  10  23.167  11.050   1.211
   89    HA   SER  10           HA       SER  10  23.385  11.325   3.521
   90    HB2  SER  10           HB2      SER  10  21.619  12.899   3.240
   91    HB3  SER  10           HB1      SER  10  20.400  11.618   3.062
   92    HG   SER  10           HG       SER  10  20.220  12.206   5.145
   93    H    LEU  11           HN       LEU  11  24.154   9.109   3.790
   94    HA   LEU  11           HA       LEU  11  24.086   7.016   4.795
   95    HB2  LEU  11           HB2      LEU  11  22.160   8.634   6.497
   96    HB3  LEU  11           HB1      LEU  11  22.515   6.933   6.875
   97    HG   LEU  11           HG       LEU  11  24.953   7.483   6.952
   98   HD11  LEU  11          HD11      LEU  11  25.451  10.024   7.164
   99   HD12  LEU  11          HD12      LEU  11  23.882  10.270   6.357
  100   HD13  LEU  11          HD13      LEU  11  25.183   9.380   5.528
  101   HD21  LEU  11          HD21      LEU  11  24.878   8.584   9.112
  102   HD22  LEU  11          HD22      LEU  11  23.430   7.560   8.979
  103   HD23  LEU  11          HD23      LEU  11  23.301   9.319   8.741
  104    H    LEU  12           HN       LEU  12  20.857   7.110   5.949
  105    HA   LEU  12           HA       LEU  12  20.111   4.912   4.161
  106    HB2  LEU  12           HB2      LEU  12  18.247   6.415   6.028
  107    HB3  LEU  12           HB1      LEU  12  18.164   4.716   5.503
  108    HG   LEU  12           HG       LEU  12  20.276   5.959   7.320
  109   HD11  LEU  12          HD11      LEU  12  18.014   5.494   8.320
  110   HD12  LEU  12          HD12      LEU  12  19.312   4.504   9.029
  111   HD13  LEU  12          HD13      LEU  12  18.195   3.789   7.840
  112   HD21  LEU  12          HD21      LEU  12  20.020   3.199   6.053
  113   HD22  LEU  12          HD22      LEU  12  20.971   3.474   7.533
  114   HD23  LEU  12          HD23      LEU  12  21.418   4.299   6.023
  115    H    LYS  13           HN       LYS  13  17.635   5.107   3.391
  116    HA   LYS  13           HA       LYS  13  17.737   7.032   1.223
  117    HB2  LYS  13           HB2      LYS  13  15.384   6.173   0.786
  118    HB3  LYS  13           HB1      LYS  13  16.656   4.929   0.822
  119    HG2  LYS  13           HG2      LYS  13  16.047   4.232   3.041
  120    HG3  LYS  13           HG1      LYS  13  15.004   5.653   3.276
  121    HD2  LYS  13           HD2      LYS  13  13.692   3.585   2.776
  122    HD3  LYS  13           HD1      LYS  13  13.456   4.854   1.551
  123    HE2  LYS  13           HE2      LYS  13  13.889   2.422   0.719
  124    HE3  LYS  13           HE1      LYS  13  14.812   3.737  -0.043
  125    HZ1  LYS  13           HZ1      LYS  13  16.307   1.983   0.518
  126    HZ2  LYS  13           HZ2      LYS  13  15.733   1.905   2.115
  127    HZ3  LYS  13           HZ3      LYS  13  16.606   3.265   1.587
  Start of MODEL   16
    1    H1   PHE   1           HT1      PHE   1  30.408  13.213   5.125
    2    H2   PHE   1           HT2      PHE   1  32.027  13.562   4.741
    3    H3   PHE   1           HT3      PHE   1  31.357  12.055   4.331
    4    HA   PHE   1           HA       PHE   1  29.679  13.833   3.179
    5    HB2  PHE   1           HB2      PHE   1  32.578  14.718   2.887
    6    HB3  PHE   1           HB1      PHE   1  31.239  15.273   1.854
    7    HD1  PHE   1           HD1      PHE   1  29.644  16.904   2.641
    8    HD2  PHE   1           HD2      PHE   1  32.554  15.222   5.349
    9    HE1  PHE   1           HE1      PHE   1  29.042  18.615   4.350
   10    HE2  PHE   1           HE2      PHE   1  31.953  16.934   7.057
   11    HZ   PHE   1           HZ       PHE   1  30.252  18.676   6.527
   12    H    LEU   2           HN       LEU   2  32.167  13.922   1.027
   13    HA   LEU   2           HA       LEU   2  32.731  12.619  -0.793
   14    HB2  LEU   2           HB2      LEU   2  32.108  10.185   0.922
   15    HB3  LEU   2           HB1      LEU   2  33.255  10.305  -0.426
   16    HG   LEU   2           HG       LEU   2  33.506  11.801   2.223
   17   HD11  LEU   2          HD11      LEU   2  35.037   9.405   1.118
   18   HD12  LEU   2          HD12      LEU   2  33.842   9.351   2.438
   19   HD13  LEU   2          HD13      LEU   2  35.370  10.238   2.654
   20   HD21  LEU   2          HD21      LEU   2  34.601  13.104   0.541
   21   HD22  LEU   2          HD22      LEU   2  35.206  11.658  -0.303
   22   HD23  LEU   2          HD23      LEU   2  35.898  12.129   1.270
   23    HA   PRO   3           HA       PRO   3  28.820  11.750  -2.736
   24    HB2  PRO   3           HB2      PRO   3  29.611  10.399  -5.003
   25    HB3  PRO   3           HB1      PRO   3  29.852  12.162  -4.784
   26    HG2  PRO   3           HG2      PRO   3  31.807   9.908  -4.369
   27    HG3  PRO   3           HG1      PRO   3  32.048  11.487  -5.182
   28    HD2  PRO   3           HD2      PRO   3  32.868  11.047  -2.614
   29    HD3  PRO   3           HD1      PRO   3  32.272  12.648  -3.156
   30    H    ILE   4           HN       ILE   4  27.800   9.695  -4.044
   31    HA   ILE   4           HA       ILE   4  26.955   7.550  -3.851
   32    HB   ILE   4           HB       ILE   4  29.499   6.818  -2.355
   33   HG12  ILE   4          HG12      ILE   4  29.004   6.793  -5.375
   34   HG13  ILE   4          HG11      ILE   4  29.948   8.043  -4.538
   35   HG21  ILE   4          HG21      ILE   4  27.453   5.262  -3.994
   36   HG22  ILE   4          HG22      ILE   4  27.858   5.052  -2.275
   37   HG23  ILE   4          HG23      ILE   4  29.030   4.595  -3.522
   38   HD11  ILE   4           HD1      ILE   4  31.272   5.888  -3.583
   39   HD12  ILE   4           HD2      ILE   4  31.681   6.613  -5.154
   40   HD13  ILE   4           HD3      ILE   4  30.658   5.162  -5.089
   41    H    VAL   5           HN       VAL   5  27.855   9.373  -1.060
   42    HA   VAL   5           HA       VAL   5  25.675   8.266   0.491
   43    HB   VAL   5           HB       VAL   5  27.167   7.569   2.470
   44   HG11  VAL   5          HG11      VAL   5  27.661   5.675   0.152
   45   HG12  VAL   5          HG12      VAL   5  26.003   5.958   0.746
   46   HG13  VAL   5          HG13      VAL   5  27.243   5.310   1.839
   47   HG21  VAL   5          HG21      VAL   5  29.247   8.592   1.657
   48   HG22  VAL   5          HG22      VAL   5  29.255   7.505   0.247
   49   HG23  VAL   5          HG23      VAL   5  29.476   6.842   1.883
   50    H    GLY   6           HN       GLY   6  25.470   9.336   2.580
   51    HA2  GLY   6           HA1      GLY   6  25.322  11.376   3.672
   52    HA3  GLY   6           HA2      GLY   6  27.089  11.235   3.722
   53    H    LEU   7           HN       LEU   7  25.733  11.416   0.583
   54    HA   LEU   7           HA       LEU   7  25.599  14.255   0.385
   55    HB2  LEU   7           HB2      LEU   7  28.087  13.948   0.556
   56    HB3  LEU   7           HB1      LEU   7  27.987  12.964  -0.915
   57    HG   LEU   7           HG       LEU   7  26.882  15.006  -2.045
   58   HD11  LEU   7          HD11      LEU   7  27.654  17.212  -0.929
   59   HD12  LEU   7          HD12      LEU   7  27.847  16.259   0.558
   60   HD13  LEU   7          HD13      LEU   7  26.249  16.401  -0.209
   61   HD21  LEU   7          HD21      LEU   7  29.752  15.256  -1.043
   62   HD22  LEU   7          HD22      LEU   7  29.072  16.075  -2.468
   63   HD23  LEU   7          HD23      LEU   7  29.225  14.303  -2.450
   64    H    LEU   8           HN       LEU   8  25.863  11.198  -0.874
   65    HA   LEU   8           HA       LEU   8  24.117  11.991  -3.223
   66    HB2  LEU   8           HB2      LEU   8  26.655  10.953  -3.404
   67    HB3  LEU   8           HB1      LEU   8  25.697   9.461  -3.448
   68    HG   LEU   8           HG       LEU   8  25.281  11.883  -5.270
   69   HD11  LEU   8          HD11      LEU   8  27.390  10.722  -5.763
   70   HD12  LEU   8          HD12      LEU   8  26.193  10.374  -7.033
   71   HD13  LEU   8          HD13      LEU   8  26.546   9.156  -5.784
   72   HD21  LEU   8          HD21      LEU   8  23.193  10.696  -4.988
   73   HD22  LEU   8          HD22      LEU   8  24.004   9.117  -5.138
   74   HD23  LEU   8          HD23      LEU   8  23.871  10.189  -6.551
   75    H    LYS   9           HN       LYS   9  23.763  10.845  -0.277
   76    HA   LYS   9           HA       LYS   9  21.396   9.362  -0.985
   77    HB2  LYS   9           HB2      LYS   9  23.373   7.678  -1.325
   78    HB3  LYS   9           HB1      LYS   9  23.421   7.626   0.451
   79    HG2  LYS   9           HG2      LYS   9  21.045   6.960   0.516
   80    HG3  LYS   9           HG1      LYS   9  20.958   7.054  -1.259
   81    HD2  LYS   9           HD2      LYS   9  22.846   5.342  -1.333
   82    HD3  LYS   9           HD1      LYS   9  22.621   5.135   0.422
   83    HE2  LYS   9           HE2      LYS   9  21.322   3.428  -0.754
   84    HE3  LYS   9           HE1      LYS   9  20.207   4.590   0.003
   85    HZ1  LYS   9           HZ1      LYS   9  20.717   5.669  -2.446
   86    HZ2  LYS   9           HZ2      LYS   9  19.330   4.787  -2.021
   87    HZ3  LYS   9           HZ3      LYS   9  20.635   4.009  -2.778
   88    H    SER  10           HN       SER  10  23.300  11.107   1.076
   89    HA   SER  10           HA       SER  10  23.046  11.796   3.287
   90    HB2  SER  10           HB2      SER  10  21.017  12.784   2.485
   91    HB3  SER  10           HB1      SER  10  20.178  11.216   2.480
   92    HG   SER  10           HG       SER  10  20.176  12.935   4.404
   93    H    LEU  11           HN       LEU  11  23.934   9.167   3.123
   94    HA   LEU  11           HA       LEU  11  24.025   7.174   4.321
   95    HB2  LEU  11           HB2      LEU  11  22.799   8.751   6.610
   96    HB3  LEU  11           HB1      LEU  11  23.957   7.402   6.692
   97    HG   LEU  11           HG       LEU  11  24.504  10.179   5.553
   98   HD11  LEU  11          HD11      LEU  11  24.332   9.945   8.072
   99   HD12  LEU  11          HD12      LEU  11  25.929  10.472   7.492
  100   HD13  LEU  11          HD13      LEU  11  25.677   8.783   7.995
  101   HD21  LEU  11          HD21      LEU  11  26.158   7.624   5.694
  102   HD22  LEU  11          HD22      LEU  11  26.923   9.227   5.576
  103   HD23  LEU  11          HD23      LEU  11  25.843   8.662   4.282
  104    H    LEU  12           HN       LEU  12  22.288   6.497   6.618
  105    HA   LEU  12           HA       LEU  12  20.164   5.213   5.073
  106    HB2  LEU  12           HB2      LEU  12  20.366   5.314   8.101
  107    HB3  LEU  12           HB1      LEU  12  19.658   4.043   7.075
  108    HG   LEU  12           HG       LEU  12  22.614   4.777   7.266
  109   HD11  LEU  12          HD11      LEU  12  22.870   2.618   8.329
  110   HD12  LEU  12          HD12      LEU  12  21.169   2.200   8.012
  111   HD13  LEU  12          HD13      LEU  12  21.569   3.481   9.182
  112   HD21  LEU  12          HD21      LEU  12  22.234   4.097   5.001
  113   HD22  LEU  12          HD22      LEU  12  21.074   2.837   5.490
  114   HD23  LEU  12          HD23      LEU  12  22.809   2.632   5.830
  115    H    LYS  13           HN       LYS  13  19.467   7.532   4.376
  116    HA   LYS  13           HA       LYS  13  18.060   9.210   6.198
  117    HB2  LYS  13           HB2      LYS  13  18.733   9.787   3.836
  118    HB3  LYS  13           HB1      LYS  13  17.394   8.761   3.265
  119    HG2  LYS  13           HG2      LYS  13  15.772  10.135   4.502
  120    HG3  LYS  13           HG1      LYS  13  17.092  11.136   5.155
  121    HD2  LYS  13           HD2      LYS  13  17.690  11.898   2.913
  122    HD3  LYS  13           HD1      LYS  13  16.489  10.804   2.185
  123    HE2  LYS  13           HE2      LYS  13  14.657  12.028   3.158
  124    HE3  LYS  13           HE1      LYS  13  15.755  12.974   4.192
  125    HZ1  LYS  13           HZ1      LYS  13  16.782  13.602   1.878
  126    HZ2  LYS  13           HZ2      LYS  13  15.423  14.425   2.480
  127    HZ3  LYS  13           HZ3      LYS  13  15.233  13.210   1.309
  Start of MODEL   17
    1    H1   PHE   1           HT1      PHE   1  31.529  11.933 -10.870
    2    H2   PHE   1           HT2      PHE   1  30.556  11.075  -9.771
    3    H3   PHE   1           HT3      PHE   1  31.695  10.252 -10.728
    4    HA   PHE   1           HA       PHE   1  33.488  11.103  -9.585
    5    HB2  PHE   1           HB2      PHE   1  31.537  12.965  -8.173
    6    HB3  PHE   1           HB1      PHE   1  33.306  12.924  -7.980
    7    HD1  PHE   1           HD1      PHE   1  30.507  14.004 -10.108
    8    HD2  PHE   1           HD2      PHE   1  34.799  13.604  -9.862
    9    HE1  PHE   1           HE1      PHE   1  30.764  15.543 -12.052
   10    HE2  PHE   1           HE2      PHE   1  35.054  15.143 -11.803
   11    HZ   PHE   1           HZ       PHE   1  33.037  16.132 -12.883
   12    H    LEU   2           HN       LEU   2  31.350   9.050  -9.254
   13    HA   LEU   2           HA       LEU   2  30.807   7.411  -7.724
   14    HB2  LEU   2           HB2      LEU   2  33.010   8.515  -5.944
   15    HB3  LEU   2           HB1      LEU   2  32.404   6.847  -6.029
   16    HG   LEU   2           HG       LEU   2  33.864   8.312  -8.277
   17   HD11  LEU   2          HD11      LEU   2  35.723   6.803  -7.758
   18   HD12  LEU   2          HD12      LEU   2  34.767   6.024  -6.473
   19   HD13  LEU   2          HD13      LEU   2  35.281   7.720  -6.299
   20   HD21  LEU   2          HD21      LEU   2  32.404   6.719  -9.299
   21   HD22  LEU   2          HD22      LEU   2  32.664   5.524  -8.004
   22   HD23  LEU   2          HD23      LEU   2  33.963   5.875  -9.169
   23    HA   PRO   3           HA       PRO   3  28.135   9.519  -4.845
   24    HB2  PRO   3           HB2      PRO   3  27.136   7.454  -3.371
   25    HB3  PRO   3           HB1      PRO   3  26.730   7.661  -5.106
   26    HG2  PRO   3           HG2      PRO   3  28.785   5.856  -3.837
   27    HG3  PRO   3           HG1      PRO   3  27.581   5.484  -5.113
   28    HD2  PRO   3           HD2      PRO   3  30.207   6.069  -5.691
   29    HD3  PRO   3           HD1      PRO   3  28.858   6.483  -6.799
   30    H    ILE   4           HN       ILE   4  28.774  10.771  -3.192
   31    HA   ILE   4           HA       ILE   4  30.954   9.957  -1.442
   32    HB   ILE   4           HB       ILE   4  29.035  12.292  -1.055
   33   HG12  ILE   4          HG12      ILE   4  30.221  12.145  -3.377
   34   HG13  ILE   4          HG11      ILE   4  30.373  13.655  -2.461
   35   HG21  ILE   4          HG21      ILE   4  31.103  13.277   0.059
   36   HG22  ILE   4          HG22      ILE   4  31.832  11.656  -0.043
   37   HG23  ILE   4          HG23      ILE   4  30.349  11.908   0.909
   38   HD11  ILE   4           HD1      ILE   4  32.614  13.112  -1.762
   39   HD12  ILE   4           HD2      ILE   4  32.530  12.785  -3.507
   40   HD13  ILE   4           HD3      ILE   4  32.467  11.441  -2.350
   41    H    VAL   5           HN       VAL   5  27.477   9.748  -1.365
   42    HA   VAL   5           HA       VAL   5  26.091   8.694   0.137
   43    HB   VAL   5           HB       VAL   5  28.367   8.055   2.046
   44   HG11  VAL   5          HG11      VAL   5  25.827   6.596   1.196
   45   HG12  VAL   5          HG12      VAL   5  26.079   7.479   2.719
   46   HG13  VAL   5          HG13      VAL   5  27.001   5.998   2.393
   47   HG21  VAL   5          HG21      VAL   5  29.438   7.229   0.110
   48   HG22  VAL   5          HG22      VAL   5  27.902   6.903  -0.726
   49   HG23  VAL   5          HG23      VAL   5  28.465   5.822   0.569
   50    H    GLY   6           HN       GLY   6  25.221   9.015   2.347
   51    HA2  GLY   6           HA1      GLY   6  24.442  10.611   3.846
   52    HA3  GLY   6           HA2      GLY   6  26.160  10.817   4.247
   53    H    LEU   7           HN       LEU   7  25.399  11.463   0.978
   54    HA   LEU   7           HA       LEU   7  24.628  14.210   1.293
   55    HB2  LEU   7           HB2      LEU   7  26.998  14.432   1.924
   56    HB3  LEU   7           HB1      LEU   7  27.455  13.623   0.410
   57    HG   LEU   7           HG       LEU   7  26.422  15.489  -0.888
   58   HD11  LEU   7          HD11      LEU   7  25.971  17.629   0.577
   59   HD12  LEU   7          HD12      LEU   7  25.751  16.472   1.911
   60   HD13  LEU   7          HD13      LEU   7  24.705  16.388   0.473
   61   HD21  LEU   7          HD21      LEU   7  28.401  16.410   1.244
   62   HD22  LEU   7          HD22      LEU   7  28.139  17.171  -0.344
   63   HD23  LEU   7          HD23      LEU   7  28.827  15.531  -0.243
   64    H    LEU   8           HN       LEU   8  25.760  11.626  -0.449
   65    HA   LEU   8           HA       LEU   8  24.392  12.582  -2.969
   66    HB2  LEU   8           HB2      LEU   8  26.905  10.962  -2.513
   67    HB3  LEU   8           HB1      LEU   8  25.953  10.656  -3.975
   68    HG   LEU   8           HG       LEU   8  27.883  12.348  -4.161
   69   HD11  LEU   8          HD11      LEU   8  25.944  12.124  -5.790
   70   HD12  LEU   8          HD12      LEU   8  26.720  13.720  -5.745
   71   HD13  LEU   8          HD13      LEU   8  25.159  13.474  -4.940
   72   HD21  LEU   8          HD21      LEU   8  27.177  13.478  -1.932
   73   HD22  LEU   8          HD22      LEU   8  25.942  14.317  -2.897
   74   HD23  LEU   8          HD23      LEU   8  27.663  14.532  -3.276
   75    H    LYS   9           HN       LYS   9  23.788  10.883  -0.334
   76    HA   LYS   9           HA       LYS   9  21.843   9.190  -1.674
   77    HB2  LYS   9           HB2      LYS   9  24.074   7.890  -1.797
   78    HB3  LYS   9           HB1      LYS   9  23.929   7.716  -0.033
   79    HG2  LYS   9           HG2      LYS   9  21.766   6.590  -0.284
   80    HG3  LYS   9           HG1      LYS   9  21.797   6.857  -2.043
   81    HD2  LYS   9           HD2      LYS   9  23.970   5.538  -2.107
   82    HD3  LYS   9           HD1      LYS   9  23.685   5.120  -0.399
   83    HE2  LYS   9           HE2      LYS   9  22.826   3.335  -1.865
   84    HE3  LYS   9           HE1      LYS   9  21.480   4.141  -1.024
   85    HZ1  LYS   9           HZ1      LYS   9  22.086   5.473  -3.458
   86    HZ2  LYS   9           HZ2      LYS   9  20.628   4.760  -2.959
   87    HZ3  LYS   9           HZ3      LYS   9  21.804   3.827  -3.754
   88    H    SER  10           HN       SER  10  23.075  10.916   0.857
   89    HA   SER  10           HA       SER  10  22.324  11.376   3.005
   90    HB2  SER  10           HB2      SER  10  20.269  11.926   1.720
   91    HB3  SER  10           HB1      SER  10  19.710  10.251   1.924
   92    HG   SER  10           HG       SER  10  18.828  11.304   3.611
   93    H    LEU  11           HN       LEU  11  22.905   8.359   2.008
   94    HA   LEU  11           HA       LEU  11  22.937   6.267   3.019
   95    HB2  LEU  11           HB2      LEU  11  24.352   7.916   4.524
   96    HB3  LEU  11           HB1      LEU  11  23.045   7.679   5.703
   97    HG   LEU  11           HG       LEU  11  24.753   5.494   4.421
   98   HD11  LEU  11          HD11      LEU  11  24.557   6.523   7.288
   99   HD12  LEU  11          HD12      LEU  11  25.899   6.841   6.162
  100   HD13  LEU  11          HD13      LEU  11  25.587   5.183   6.731
  101   HD21  LEU  11          HD21      LEU  11  22.615   4.498   4.761
  102   HD22  LEU  11          HD22      LEU  11  22.330   5.408   6.265
  103   HD23  LEU  11          HD23      LEU  11  23.517   4.083   6.234
  104    H    LEU  12           HN       LEU  12  20.859   5.520   2.542
  105    HA   LEU  12           HA       LEU  12  18.498   6.216   3.970
  106    HB2  LEU  12           HB2      LEU  12  19.351   3.751   2.415
  107    HB3  LEU  12           HB1      LEU  12  17.757   3.834   3.200
  108    HG   LEU  12           HG       LEU  12  17.269   5.936   1.954
  109   HD11  LEU  12          HD11      LEU  12  19.413   6.901   1.556
  110   HD12  LEU  12          HD12      LEU  12  18.856   6.380  -0.051
  111   HD13  LEU  12          HD13      LEU  12  20.049   5.401   0.839
  112   HD21  LEU  12          HD21      LEU  12  16.868   4.873  -0.186
  113   HD22  LEU  12          HD22      LEU  12  16.713   3.619   1.068
  114   HD23  LEU  12          HD23      LEU  12  18.192   3.715   0.081
  115    H    LYS  13           HN       LYS  13  18.281   6.141   6.114
  116    HA   LYS  13           HA       LYS  13  19.793   4.446   7.838
  117    HB2  LYS  13           HB2      LYS  13  18.493   6.570   8.439
  118    HB3  LYS  13           HB1      LYS  13  17.030   5.561   8.436
  119    HG2  LYS  13           HG2      LYS  13  17.624   5.410  10.696
  120    HG3  LYS  13           HG1      LYS  13  18.485   3.994  10.054
  121    HD2  LYS  13           HD2      LYS  13  20.557   5.382   9.842
  122    HD3  LYS  13           HD1      LYS  13  19.679   6.766  10.533
  123    HE2  LYS  13           HE2      LYS  13  20.217   4.090  11.892
  124    HE3  LYS  13           HE1      LYS  13  20.952   5.658  12.303
  125    HZ1  LYS  13           HZ1      LYS  13  19.244   5.992  13.656
  126    HZ2  LYS  13           HZ2      LYS  13  18.458   4.584  13.123
  127    HZ3  LYS  13           HZ3      LYS  13  18.212   6.056  12.310
  Start of MODEL   18
    1    H1   PHE   1           HT1      PHE   1  31.646  12.792  -8.520
    2    H2   PHE   1           HT2      PHE   1  33.086  13.600  -8.921
    3    H3   PHE   1           HT3      PHE   1  31.600  14.422  -8.985
    4    HA   PHE   1           HA       PHE   1  33.223  14.693  -6.991
    5    HB2  PHE   1           HB2      PHE   1  30.209  14.363  -6.705
    6    HB3  PHE   1           HB1      PHE   1  31.274  15.280  -5.614
    7    HD1  PHE   1           HD1      PHE   1  32.564  17.271  -6.517
    8    HD2  PHE   1           HD2      PHE   1  29.436  15.325  -8.767
    9    HE1  PHE   1           HE1      PHE   1  32.386  19.268  -7.997
   10    HE2  PHE   1           HE2      PHE   1  29.259  17.322 -10.248
   11    HZ   PHE   1           HZ       PHE   1  30.734  19.293  -9.863
   12    H    LEU   2           HN       LEU   2  32.944  11.745  -7.794
   13    HA   LEU   2           HA       LEU   2  33.150   9.695  -6.767
   14    HB2  LEU   2           HB2      LEU   2  34.069  11.579  -4.575
   15    HB3  LEU   2           HB1      LEU   2  33.992   9.832  -4.276
   16    HG   LEU   2           HG       LEU   2  35.510   9.393  -6.137
   17   HD11  LEU   2          HD11      LEU   2  35.217  12.386  -6.623
   18   HD12  LEU   2          HD12      LEU   2  34.893  11.049  -7.755
   19   HD13  LEU   2          HD13      LEU   2  36.567  11.439  -7.294
   20   HD21  LEU   2          HD21      LEU   2  36.453  10.049  -3.901
   21   HD22  LEU   2          HD22      LEU   2  36.555  11.731  -4.476
   22   HD23  LEU   2          HD23      LEU   2  37.530  10.463  -5.257
   23    HA   PRO   3           HA       PRO   3  29.246   8.896  -4.818
   24    HB2  PRO   3           HB2      PRO   3  29.562   6.356  -3.862
   25    HB3  PRO   3           HB1      PRO   3  29.513   6.712  -5.620
   26    HG2  PRO   3           HG2      PRO   3  31.905   6.284  -3.835
   27    HG3  PRO   3           HG1      PRO   3  31.562   5.599  -5.456
   28    HD2  PRO   3           HD2      PRO   3  33.195   7.778  -5.105
   29    HD3  PRO   3           HD1      PRO   3  32.177   7.565  -6.568
   30    H    ILE   4           HN       ILE   4  29.117  10.385  -3.134
   31    HA   ILE   4           HA       ILE   4  30.584   9.960  -0.632
   32    HB   ILE   4           HB       ILE   4  28.203  11.811  -1.074
   33   HG12  ILE   4          HG12      ILE   4  31.159  12.222  -1.728
   34   HG13  ILE   4          HG11      ILE   4  29.807  12.204  -2.885
   35   HG21  ILE   4          HG21      ILE   4  29.189  11.357   1.266
   36   HG22  ILE   4          HG22      ILE   4  29.125  13.058   0.756
   37   HG23  ILE   4          HG23      ILE   4  30.664  12.166   0.688
   38   HD11  ILE   4           HD1      ILE   4  30.235  14.513  -2.516
   39   HD12  ILE   4           HD2      ILE   4  30.452  14.283  -0.766
   40   HD13  ILE   4           HD3      ILE   4  28.828  14.162  -1.486
   41    H    VAL   5           HN       VAL   5  27.137   9.838  -1.629
   42    HA   VAL   5           HA       VAL   5  25.401   8.568  -0.832
   43    HB   VAL   5           HB       VAL   5  27.293   7.046   0.988
   44   HG11  VAL   5          HG11      VAL   5  25.629   5.208   0.541
   45   HG12  VAL   5          HG12      VAL   5  24.645   6.376  -0.370
   46   HG13  VAL   5          HG13      VAL   5  24.920   6.610   1.370
   47   HG21  VAL   5          HG21      VAL   5  27.380   5.401  -1.009
   48   HG22  VAL   5          HG22      VAL   5  28.340   6.884  -1.173
   49   HG23  VAL   5          HG23      VAL   5  26.772   6.748  -2.001
   50    H    GLY   6           HN       GLY   6  27.447  10.342   1.065
   51    HA2  GLY   6           HA1      GLY   6  25.604  10.367   3.421
   52    HA3  GLY   6           HA2      GLY   6  27.248  11.044   3.369
   53    H    LEU   7           HN       LEU   7  25.746  11.686   0.511
   54    HA   LEU   7           HA       LEU   7  24.249  14.060   1.318
   55    HB2  LEU   7           HB2      LEU   7  26.646  14.829   1.307
   56    HB3  LEU   7           HB1      LEU   7  26.735  14.296  -0.386
   57    HG   LEU   7           HG       LEU   7  24.833  15.887  -0.920
   58   HD11  LEU   7          HD11      LEU   7  23.725  16.312   1.132
   59   HD12  LEU   7          HD12      LEU   7  24.654  17.802   0.873
   60   HD13  LEU   7          HD13      LEU   7  25.247  16.575   2.015
   61   HD21  LEU   7          HD21      LEU   7  27.308  17.156   0.336
   62   HD22  LEU   7          HD22      LEU   7  26.271  17.876  -0.920
   63   HD23  LEU   7          HD23      LEU   7  27.245  16.433  -1.289
   64    H    LEU   8           HN       LEU   8  25.534  11.836  -0.769
   65    HA   LEU   8           HA       LEU   8  23.890  12.589  -3.110
   66    HB2  LEU   8           HB2      LEU   8  26.348  11.372  -2.860
   67    HB3  LEU   8           HB1      LEU   8  25.314   9.945  -3.071
   68    HG   LEU   8           HG       LEU   8  25.404  12.365  -4.936
   69   HD11  LEU   8          HD11      LEU   8  27.447  10.904  -4.963
   70   HD12  LEU   8          HD12      LEU   8  26.538  10.856  -6.494
   71   HD13  LEU   8          HD13      LEU   8  26.405   9.511  -5.336
   72   HD21  LEU   8          HD21      LEU   8  23.821   9.761  -4.941
   73   HD22  LEU   8          HD22      LEU   8  24.091  10.706  -6.425
   74   HD23  LEU   8          HD23      LEU   8  23.205  11.427  -5.063
   75    H    LYS   9           HN       LYS   9  23.453  11.029  -0.231
   76    HA   LYS   9           HA       LYS   9  20.854  10.072  -0.945
   77    HB2  LYS   9           HB2      LYS   9  22.440   8.277  -1.959
   78    HB3  LYS   9           HB1      LYS   9  22.744   7.798  -0.275
   79    HG2  LYS   9           HG2      LYS   9  20.344   7.388   0.074
   80    HG3  LYS   9           HG1      LYS   9  19.985   7.962  -1.572
   81    HD2  LYS   9           HD2      LYS   9  21.446   6.136  -2.480
   82    HD3  LYS   9           HD1      LYS   9  21.660   5.528  -0.820
   83    HE2  LYS   9           HE2      LYS   9  19.869   4.257  -1.861
   84    HE3  LYS   9           HE1      LYS   9  19.148   5.335  -0.642
   85    HZ1  LYS   9           HZ1      LYS   9  18.806   5.311  -3.495
   86    HZ2  LYS   9           HZ2      LYS   9  19.203   6.852  -2.902
   87    HZ3  LYS   9           HZ3      LYS   9  17.847   6.029  -2.294
   88    H    SER  10           HN       SER  10  23.255  10.908   1.166
   89    HA   SER  10           HA       SER  10  23.352  11.076   3.485
   90    HB2  SER  10           HB2      SER  10  20.324  10.872   3.315
   91    HB3  SER  10           HB1      SER  10  21.280  11.619   4.615
   92    HG   SER  10           HG       SER  10  20.390  12.740   2.394
   93    H    LEU  11           HN       LEU  11  24.377   9.169   4.025
   94    HA   LEU  11           HA       LEU  11  22.827   6.686   4.311
   95    HB2  LEU  11           HB2      LEU  11  25.392   7.115   3.682
   96    HB3  LEU  11           HB1      LEU  11  25.618   7.041   5.439
   97    HG   LEU  11           HG       LEU  11  24.311   4.901   3.693
   98   HD11  LEU  11          HD11      LEU  11  26.292   3.571   4.265
   99   HD12  LEU  11          HD12      LEU  11  26.921   4.895   5.276
  100   HD13  LEU  11          HD13      LEU  11  26.801   5.101   3.511
  101   HD21  LEU  11          HD21      LEU  11  23.226   4.851   5.840
  102   HD22  LEU  11          HD22      LEU  11  24.761   5.122   6.699
  103   HD23  LEU  11          HD23      LEU  11  24.458   3.570   5.882
  104    H    LEU  12           HN       LEU  12  21.238   7.727   5.805
  105    HA   LEU  12           HA       LEU  12  22.260   8.088   8.596
  106    HB2  LEU  12           HB2      LEU  12  19.689   8.652   8.912
  107    HB3  LEU  12           HB1      LEU  12  20.766   9.827   8.126
  108    HG   LEU  12           HG       LEU  12  20.046   9.092   5.914
  109   HD11  LEU  12          HD11      LEU  12  18.525   6.981   7.494
  110   HD12  LEU  12          HD12      LEU  12  19.683   6.741   6.163
  111   HD13  LEU  12          HD13      LEU  12  18.075   7.420   5.830
  112   HD21  LEU  12          HD21      LEU  12  17.689   9.500   7.808
  113   HD22  LEU  12          HD22      LEU  12  17.655   9.755   6.048
  114   HD23  LEU  12          HD23      LEU  12  18.674  10.789   7.077
  115    H    LYS  13           HN       LYS  13  21.969   5.473   7.001
  116    HA   LYS  13           HA       LYS  13  21.276   3.301   7.433
  117    HB2  LYS  13           HB2      LYS  13  21.279   4.427  10.260
  118    HB3  LYS  13           HB1      LYS  13  21.085   2.699   9.876
  119    HG2  LYS  13           HG2      LYS  13  23.260   2.764   8.640
  120    HG3  LYS  13           HG1      LYS  13  23.463   4.460   9.141
  121    HD2  LYS  13           HD2      LYS  13  23.294   3.721  11.537
  122    HD3  LYS  13           HD1      LYS  13  23.251   2.033  10.973
  123    HE2  LYS  13           HE2      LYS  13  25.545   2.538  11.552
  124    HE3  LYS  13           HE1      LYS  13  25.448   2.475   9.776
  125    HZ1  LYS  13           HZ1      LYS  13  26.211   4.540   9.726
  126    HZ2  LYS  13           HZ2      LYS  13  26.231   4.624  11.423
  127    HZ3  LYS  13           HZ3      LYS  13  24.840   5.081  10.564
  Start of MODEL   19
    1    H1   PHE   1           HT1      PHE   1  32.030  10.799 -11.653
    2    H2   PHE   1           HT2      PHE   1  30.958  12.107 -11.495
    3    H3   PHE   1           HT3      PHE   1  30.504  10.562 -10.954
    4    HA   PHE   1           HA       PHE   1  32.916  11.738  -9.844
    5    HB2  PHE   1           HB2      PHE   1  30.144  12.493  -8.855
    6    HB3  PHE   1           HB1      PHE   1  31.714  13.094  -8.270
    7    HD1  PHE   1           HD1      PHE   1  29.157  13.341 -10.909
    8    HD2  PHE   1           HD2      PHE   1  33.091  14.615  -9.672
    9    HE1  PHE   1           HE1      PHE   1  29.103  15.161 -12.612
   10    HE2  PHE   1           HE2      PHE   1  33.037  16.434 -11.374
   11    HZ   PHE   1           HZ       PHE   1  31.081  16.646 -12.904
   12    H    LEU   2           HN       LEU   2  33.491  10.711  -7.965
   13    HA   LEU   2           HA       LEU   2  32.512   8.065  -7.570
   14    HB2  LEU   2           HB2      LEU   2  34.190   9.960  -5.891
   15    HB3  LEU   2           HB1      LEU   2  33.774   8.337  -5.300
   16    HG   LEU   2           HG       LEU   2  34.764   7.360  -7.387
   17   HD11  LEU   2          HD11      LEU   2  36.337   9.000  -8.653
   18   HD12  LEU   2          HD12      LEU   2  35.353  10.295  -7.932
   19   HD13  LEU   2          HD13      LEU   2  34.597   9.094  -9.007
   20   HD21  LEU   2          HD21      LEU   2  36.599   9.208  -5.793
   21   HD22  LEU   2          HD22      LEU   2  37.126   7.805  -6.754
   22   HD23  LEU   2          HD23      LEU   2  36.104   7.566  -5.317
   23    HA   PRO   3           HA       PRO   3  28.899   8.759  -5.085
   24    HB2  PRO   3           HB2      PRO   3  28.755   6.457  -3.594
   25    HB3  PRO   3           HB1      PRO   3  28.439   6.485  -5.359
   26    HG2  PRO   3           HG2      PRO   3  30.952   5.709  -3.890
   27    HG3  PRO   3           HG1      PRO   3  30.138   4.889  -5.261
   28    HD2  PRO   3           HD2      PRO   3  32.307   6.525  -5.622
   29    HD3  PRO   3           HD1      PRO   3  31.002   6.384  -6.844
   30    H    ILE   4           HN       ILE   4  28.952  10.334  -3.584
   31    HA   ILE   4           HA       ILE   4  30.940  10.333  -1.441
   32    HB   ILE   4           HB       ILE   4  28.466  12.103  -1.584
   33   HG12  ILE   4          HG12      ILE   4  31.133  12.424  -3.038
   34   HG13  ILE   4          HG11      ILE   4  29.555  12.123  -3.802
   35   HG21  ILE   4          HG21      ILE   4  29.781  13.641  -0.309
   36   HG22  ILE   4          HG22      ILE   4  31.286  12.746  -0.633
   37   HG23  ILE   4          HG23      ILE   4  30.051  12.054   0.446
   38   HD11  ILE   4           HD1      ILE   4  30.505  14.609  -2.340
   39   HD12  ILE   4           HD2      ILE   4  28.771  14.287  -2.583
   40   HD13  ILE   4           HD3      ILE   4  29.848  14.472  -3.988
   41    H    VAL   5           HN       VAL   5  27.357   9.983  -1.597
   42    HA   VAL   5           HA       VAL   5  25.926   8.872  -0.174
   43    HB   VAL   5           HB       VAL   5  28.208   7.852   1.561
   44   HG11  VAL   5          HG11      VAL   5  26.683   5.872   1.732
   45   HG12  VAL   5          HG12      VAL   5  25.510   6.719   0.699
   46   HG13  VAL   5          HG13      VAL   5  25.924   7.373   2.300
   47   HG21  VAL   5          HG21      VAL   5  27.498   7.018  -1.276
   48   HG22  VAL   5          HG22      VAL   5  28.096   5.800  -0.126
   49   HG23  VAL   5          HG23      VAL   5  29.105   7.199  -0.534
   50    H    GLY   6           HN       GLY   6  25.158   8.986   2.126
   51    HA2  GLY   6           HA1      GLY   6  24.610  10.409   3.880
   52    HA3  GLY   6           HA2      GLY   6  26.364  10.621   4.083
   53    H    LEU   7           HN       LEU   7  25.302  11.408   0.972
   54    HA   LEU   7           HA       LEU   7  24.510  14.126   1.467
   55    HB2  LEU   7           HB2      LEU   7  27.174  13.864   1.677
   56    HB3  LEU   7           HB1      LEU   7  27.063  13.978  -0.091
   57    HG   LEU   7           HG       LEU   7  26.056  16.014   1.954
   58   HD11  LEU   7          HD11      LEU   7  28.211  16.137  -0.204
   59   HD12  LEU   7          HD12      LEU   7  28.499  16.014   1.548
   60   HD13  LEU   7          HD13      LEU   7  27.741  17.475   0.869
   61   HD21  LEU   7          HD21      LEU   7  25.652  15.779  -1.054
   62   HD22  LEU   7          HD22      LEU   7  25.642  17.368  -0.249
   63   HD23  LEU   7          HD23      LEU   7  24.449  16.133   0.211
   64    H    LEU   8           HN       LEU   8  25.543  11.643  -0.471
   65    HA   LEU   8           HA       LEU   8  24.070  12.692  -2.875
   66    HB2  LEU   8           HB2      LEU   8  26.564  11.878  -2.948
   67    HB3  LEU   8           HB1      LEU   8  25.868  10.249  -2.869
   68    HG   LEU   8           HG       LEU   8  24.328  11.112  -4.866
   69   HD11  LEU   8          HD11      LEU   8  26.722  13.005  -4.998
   70   HD12  LEU   8          HD12      LEU   8  25.008  13.462  -4.856
   71   HD13  LEU   8          HD13      LEU   8  25.606  12.702  -6.347
   72   HD21  LEU   8          HD21      LEU   8  26.036  10.345  -6.493
   73   HD22  LEU   8          HD22      LEU   8  26.003   9.300  -5.052
   74   HD23  LEU   8          HD23      LEU   8  27.296  10.509  -5.247
   75    H    LYS   9           HN       LYS   9  23.608  10.807  -0.205
   76    HA   LYS   9           HA       LYS   9  21.265   9.514  -1.420
   77    HB2  LYS   9           HB2      LYS   9  23.538   7.875  -0.241
   78    HB3  LYS   9           HB1      LYS   9  21.898   7.242  -0.518
   79    HG2  LYS   9           HG2      LYS   9  22.187   7.998  -2.968
   80    HG3  LYS   9           HG1      LYS   9  23.910   8.219  -2.584
   81    HD2  LYS   9           HD2      LYS   9  24.027   5.847  -1.823
   82    HD3  LYS   9           HD1      LYS   9  22.322   5.633  -2.288
   83    HE2  LYS   9           HE2      LYS   9  22.848   6.147  -4.622
   84    HE3  LYS   9           HE1      LYS   9  24.538   6.506  -4.192
   85    HZ1  LYS   9           HZ1      LYS   9  25.043   4.348  -4.158
   86    HZ2  LYS   9           HZ2      LYS   9  23.567   4.080  -4.956
   87    HZ3  LYS   9           HZ3      LYS   9  23.661   3.929  -3.267
   88    H    SER  10           HN       SER  10  22.977  10.885   1.052
   89    HA   SER  10           HA       SER  10  22.314  11.573   3.167
   90    HB2  SER  10           HB2      SER  10  19.991  11.611   1.948
   91    HB3  SER  10           HB1      SER  10  19.657  10.151   2.904
   92    HG   SER  10           HG       SER  10  19.916  12.790   3.679
   93    H    LEU  11           HN       LEU  11  21.731   8.200   2.237
   94    HA   LEU  11           HA       LEU  11  21.472   7.073   4.830
   95    HB2  LEU  11           HB2      LEU  11  22.975   5.776   2.529
   96    HB3  LEU  11           HB1      LEU  11  22.065   4.980   3.833
   97    HG   LEU  11           HG       LEU  11  20.928   6.689   1.581
   98   HD11  LEU  11          HD11      LEU  11  21.602   4.307   1.080
   99   HD12  LEU  11          HD12      LEU  11  19.862   4.625   0.873
  100   HD13  LEU  11          HD13      LEU  11  20.447   3.774   2.324
  101   HD21  LEU  11          HD21      LEU  11  19.563   7.210   3.469
  102   HD22  LEU  11          HD22      LEU  11  19.668   5.553   4.111
  103   HD23  LEU  11          HD23      LEU  11  18.695   5.886   2.657
  104    H    LEU  12           HN       LEU  12  23.573   5.163   4.924
  105    HA   LEU  12           HA       LEU  12  26.143   6.485   5.066
  106    HB2  LEU  12           HB2      LEU  12  24.886   7.535   7.024
  107    HB3  LEU  12           HB1      LEU  12  24.817   5.910   7.739
  108    HG   LEU  12           HG       LEU  12  27.444   5.907   7.344
  109   HD11  LEU  12          HD11      LEU  12  27.632   7.971   6.056
  110   HD12  LEU  12          HD12      LEU  12  28.394   8.225   7.641
  111   HD13  LEU  12          HD13      LEU  12  26.776   8.887   7.319
  112   HD21  LEU  12          HD21      LEU  12  27.770   6.984   9.570
  113   HD22  LEU  12          HD22      LEU  12  26.386   5.864   9.566
  114   HD23  LEU  12          HD23      LEU  12  26.109   7.620   9.487
  115    H    LYS  13           HN       LYS  13  24.253   4.055   6.927
  116    HA   LYS  13           HA       LYS  13  26.468   2.174   6.941
  117    HB2  LYS  13           HB2      LYS  13  23.506   1.778   7.522
  118    HB3  LYS  13           HB1      LYS  13  24.796   0.606   7.885
  119    HG2  LYS  13           HG2      LYS  13  25.886   2.207   9.385
  120    HG3  LYS  13           HG1      LYS  13  24.689   3.457   8.964
  121    HD2  LYS  13           HD2      LYS  13  22.884   2.118   9.931
  122    HD3  LYS  13           HD1      LYS  13  24.011   0.777  10.253
  123    HE2  LYS  13           HE2      LYS  13  24.121   3.568  11.478
  124    HE3  LYS  13           HE1      LYS  13  23.663   2.064  12.312
  125    HZ1  LYS  13           HZ1      LYS  13  25.924   2.476  12.809
  126    HZ2  LYS  13           HZ2      LYS  13  26.318   2.781  11.184
  127    HZ3  LYS  13           HZ3      LYS  13  25.916   1.207  11.684
  Start of MODEL   20
    1    H1   PHE   1           HT1      PHE   1  33.515   5.115 -11.604
    2    H2   PHE   1           HT2      PHE   1  34.583   5.338 -10.301
    3    H3   PHE   1           HT3      PHE   1  34.334   6.588 -11.425
    4    HA   PHE   1           HA       PHE   1  32.137   6.925 -10.729
    5    HB2  PHE   1           HB2      PHE   1  32.545   4.646  -8.759
    6    HB3  PHE   1           HB1      PHE   1  31.041   5.532  -9.113
    7    HD1  PHE   1           HD1      PHE   1  29.838   5.189 -11.247
    8    HD2  PHE   1           HD2      PHE   1  33.396   2.942 -10.285
    9    HE1  PHE   1           HE1      PHE   1  29.316   3.577 -13.075
   10    HE2  PHE   1           HE2      PHE   1  32.874   1.332 -12.112
   11    HZ   PHE   1           HZ       PHE   1  30.881   1.701 -13.563
   12    H    LEU   2           HN       LEU   2  31.421   7.622  -8.393
   13    HA   LEU   2           HA       LEU   2  33.519   8.063  -6.456
   14    HB2  LEU   2           HB2      LEU   2  34.188   9.634  -8.362
   15    HB3  LEU   2           HB1      LEU   2  32.688  10.527  -8.029
   16    HG   LEU   2           HG       LEU   2  33.573  10.554  -5.522
   17   HD11  LEU   2          HD11      LEU   2  36.129  10.074  -7.128
   18   HD12  LEU   2          HD12      LEU   2  35.503   9.079  -5.793
   19   HD13  LEU   2          HD13      LEU   2  36.093  10.723  -5.474
   20   HD21  LEU   2          HD21      LEU   2  34.820  12.242  -7.739
   21   HD22  LEU   2          HD22      LEU   2  34.828  12.660  -6.010
   22   HD23  LEU   2          HD23      LEU   2  33.288  12.571  -6.895
   23    HA   PRO   3           HA       PRO   3  29.098   8.827  -5.192
   24    HB2  PRO   3           HB2      PRO   3  28.660   6.637  -3.649
   25    HB3  PRO   3           HB1      PRO   3  28.547   6.561  -5.438
   26    HG2  PRO   3           HG2      PRO   3  30.804   5.711  -3.635
   27    HG3  PRO   3           HG1      PRO   3  30.116   4.879  -5.065
   28    HD2  PRO   3           HD2      PRO   3  32.426   6.443  -5.140
   29    HD3  PRO   3           HD1      PRO   3  31.376   6.145  -6.564
   30    H    ILE   4           HN       ILE   4  29.038  10.375  -3.666
   31    HA   ILE   4           HA       ILE   4  31.004  10.446  -1.511
   32    HB   ILE   4           HB       ILE   4  28.468  12.122  -1.689
   33   HG12  ILE   4          HG12      ILE   4  31.149  12.494  -3.101
   34   HG13  ILE   4          HG11      ILE   4  29.574  12.210  -3.878
   35   HG21  ILE   4          HG21      ILE   4  30.000  12.133   0.380
   36   HG22  ILE   4          HG22      ILE   4  29.702  13.708  -0.388
   37   HG23  ILE   4          HG23      ILE   4  31.241  12.858  -0.670
   38   HD11  ILE   4           HD1      ILE   4  28.795  14.364  -2.638
   39   HD12  ILE   4           HD2      ILE   4  29.881  14.560  -4.034
   40   HD13  ILE   4           HD3      ILE   4  30.528  14.674  -2.381
   41    H    VAL   5           HN       VAL   5  27.422  10.023  -1.643
   42    HA   VAL   5           HA       VAL   5  26.032   8.848  -0.233
   43    HB   VAL   5           HB       VAL   5  28.346   7.865   1.480
   44   HG11  VAL   5          HG11      VAL   5  25.674   6.677   0.613
   45   HG12  VAL   5          HG12      VAL   5  26.085   7.316   2.221
   46   HG13  VAL   5          HG13      VAL   5  26.874   5.843   1.627
   47   HG21  VAL   5          HG21      VAL   5  27.667   7.069  -1.375
   48   HG22  VAL   5          HG22      VAL   5  28.264   5.830  -0.247
   49   HG23  VAL   5          HG23      VAL   5  29.264   7.246  -0.611
   50    H    GLY   6           HN       GLY   6  25.267   8.907   2.061
   51    HA2  GLY   6           HA1      GLY   6  24.672  10.284   3.833
   52    HA3  GLY   6           HA2      GLY   6  26.420  10.544   4.048
   53    H    LEU   7           HN       LEU   7  25.343  11.344   0.948
   54    HA   LEU   7           HA       LEU   7  24.483  14.037   1.482
   55    HB2  LEU   7           HB2      LEU   7  27.163  13.826   1.632
   56    HB3  LEU   7           HB1      LEU   7  27.006  13.970  -0.129
   57    HG   LEU   7           HG       LEU   7  25.981  15.940   1.971
   58   HD11  LEU   7          HD11      LEU   7  27.651  17.444   1.040
   59   HD12  LEU   7          HD12      LEU   7  28.064  16.270  -0.232
   60   HD13  LEU   7          HD13      LEU   7  28.454  15.914   1.467
   61   HD21  LEU   7          HD21      LEU   7  25.519  17.326  -0.199
   62   HD22  LEU   7          HD22      LEU   7  24.365  16.046   0.231
   63   HD23  LEU   7          HD23      LEU   7  25.576  15.759  -1.042
   64    H    LEU   8           HN       LEU   8  25.547  11.588  -0.483
   65    HA   LEU   8           HA       LEU   8  24.051  12.608  -2.881
   66    HB2  LEU   8           HB2      LEU   8  26.518  11.703  -2.943
   67    HB3  LEU   8           HB1      LEU   8  25.764  10.101  -2.822
   68    HG   LEU   8           HG       LEU   8  24.239  10.990  -4.830
   69   HD11  LEU   8          HD11      LEU   8  25.562  12.482  -6.355
   70   HD12  LEU   8          HD12      LEU   8  26.733  12.742  -5.043
   71   HD13  LEU   8          HD13      LEU   8  25.054  13.303  -4.863
   72   HD21  LEU   8          HD21      LEU   8  25.824   9.091  -4.978
   73   HD22  LEU   8          HD22      LEU   8  27.171  10.230  -5.218
   74   HD23  LEU   8          HD23      LEU   8  25.890  10.093  -6.447
   75    H    LYS   9           HN       LYS   9  23.495  10.877  -0.145
   76    HA   LYS   9           HA       LYS   9  21.114   9.624  -1.283
   77    HB2  LYS   9           HB2      LYS   9  22.867   7.918  -1.781
   78    HB3  LYS   9           HB1      LYS   9  23.254   7.849  -0.049
   79    HG2  LYS   9           HG2      LYS   9  21.123   6.944   0.514
   80    HG3  LYS   9           HG1      LYS   9  20.427   7.361  -1.069
   81    HD2  LYS   9           HD2      LYS   9  22.801   5.464  -0.925
   82    HD3  LYS   9           HD1      LYS   9  21.173   4.857  -0.554
   83    HE2  LYS   9           HE2      LYS   9  20.381   5.733  -2.772
   84    HE3  LYS   9           HE1      LYS   9  22.055   6.204  -3.149
   85    HZ1  LYS   9           HZ1      LYS   9  21.786   4.094  -4.080
   86    HZ2  LYS   9           HZ2      LYS   9  20.952   3.485  -2.731
   87    HZ3  LYS   9           HZ3      LYS   9  22.619   3.797  -2.633
   88    H    SER  10           HN       SER  10  22.932  10.986   1.117
   89    HA   SER  10           HA       SER  10  22.584  11.384   3.388
   90    HB2  SER  10           HB2      SER  10  19.698  11.202   2.443
   91    HB3  SER  10           HB1      SER  10  20.232  11.913   3.982
   92    HG   SER  10           HG       SER  10  21.589  12.822   1.761
   93    H    LEU  11           HN       LEU  11  23.423   8.957   3.390
   94    HA   LEU  11           HA       LEU  11  21.535   6.929   4.184
   95    HB2  LEU  11           HB2      LEU  11  24.058   6.805   3.344
   96    HB3  LEU  11           HB1      LEU  11  24.432   6.884   5.079
   97    HG   LEU  11           HG       LEU  11  22.656   4.827   3.685
   98   HD11  LEU  11          HD11      LEU  11  24.400   3.249   4.250
   99   HD12  LEU  11          HD12      LEU  11  25.265   4.466   5.219
  100   HD13  LEU  11          HD13      LEU  11  25.181   4.633   3.448
  101   HD21  LEU  11          HD21      LEU  11  23.261   5.365   6.621
  102   HD22  LEU  11          HD22      LEU  11  22.734   3.764   6.048
  103   HD23  LEU  11          HD23      LEU  11  21.675   5.177   5.837
  104    H    LEU  12           HN       LEU  12  23.961   8.771   6.112
  105    HA   LEU  12           HA       LEU  12  22.046   9.079   8.310
  106    HB2  LEU  12           HB2      LEU  12  22.956   6.705   8.555
  107    HB3  LEU  12           HB1      LEU  12  24.551   7.436   8.824
  108    HG   LEU  12           HG       LEU  12  23.297   8.870  10.673
  109   HD11  LEU  12          HD11      LEU  12  21.465   7.510  11.761
  110   HD12  LEU  12          HD12      LEU  12  21.429   6.479  10.313
  111   HD13  LEU  12          HD13      LEU  12  21.002   8.202  10.192
  112   HD21  LEU  12          HD21      LEU  12  23.726   7.071  12.345
  113   HD22  LEU  12          HD22      LEU  12  25.050   7.212  11.164
  114   HD23  LEU  12          HD23      LEU  12  23.865   5.891  11.020
  115    H    LYS  13           HN       LYS  13  22.374  11.217   8.499
  116    HA   LYS  13           HA       LYS  13  23.502  13.221   8.833
  117    HB2  LYS  13           HB2      LYS  13  23.943  11.952  10.991
  118    HB3  LYS  13           HB1      LYS  13  25.530  11.509  10.318
  119    HG2  LYS  13           HG2      LYS  13  26.078  13.914  10.034
  120    HG3  LYS  13           HG1      LYS  13  24.496  14.351  10.724
  121    HD2  LYS  13           HD2      LYS  13  25.104  13.144  12.823
  122    HD3  LYS  13           HD1      LYS  13  26.710  12.796  12.134
  123    HE2  LYS  13           HE2      LYS  13  26.773  14.794  13.608
  124    HE3  LYS  13           HE1      LYS  13  27.156  15.218  11.922
  125    HZ1  LYS  13           HZ1      LYS  13  25.326  16.486  13.393
  126    HZ2  LYS  13           HZ2      LYS  13  24.341  15.322  12.644
  127    HZ3  LYS  13           HZ3      LYS  13  25.266  16.389  11.701