*HEADER    HORMONE                                 05-MAR-15   2N0B              
*TITLE     NMR STRUCTURE OF NEUROMEDIN C IN AQUEOUS SOLUTION                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GASTRIN-RELEASING PEPTIDE;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 41-50;                                        
*COMPND   5 SYNONYM: GRP, NEUROMEDIN-C, GRP-10;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    NEUROPEPTIDE, FEEDING REGULATION, HORMONE                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    18                                                                    
*AUTHOR    M.ADROVER, P.SANCHIS, B.VILANOVA, K.PAUWELS, G.MARTORELL, J.PEREZ     
*REVDAT   1   14-OCT-15 2N0B    0                                                


  5 ALA  H       5 ALA  QB      3.62           
  6 VAL  H       6 VAL  HB      3.45           
  6 VAL  H       6 VAL  QG1     4.68           
  6 VAL  H       6 VAL  QG2     4.68           
  4 TRP  H       4 TRP  HB2     3.79           
  4 TRP  H       4 TRP  HB3     3.79           
  8 HIS  H       8 HIS  HB2     4.13           
  8 HIS  H       8 HIS  HB3     4.13           
  7 GLY  H       8 HIS  H       4.19           
  6 VAL  H       7 GLY  H       3.95           
  7 GLY  H       9 LEU  H       4.20           
  5 ALA  H       6 VAL  H       3.84           
  4 TRP  H       5 ALA  H       3.45           
  4 TRP  HE3     5 ALA  H       4.74           
  4 TRP  H       4 TRP  HE3     5.13           
  4 TRP  H       4 TRP  HD1     4.55           
  4 TRP  HD1     5 ALA  H       5.40           
  5 ALA  HA      7 GLY  H       5.32           
  7 GLY  H       8 HIS  HA      5.50           
  6 VAL  HB      7 GLY  H       4.22           
  5 ALA  QB      7 GLY  H       5.11           
  8 HIS  HA      9 LEU  H       3.12           
  8 HIS  HB2     9 LEU  H       4.79           
  8 HIS  HB3     9 LEU  H       4.79           
  5 ALA  HA      6 VAL  H       2.87           
  4 TRP  HB2     5 ALA  H       4.18           
  4 TRP  HB3     5 ALA  H       4.18           
  3 HIS  HA      4 TRP  H       3.08           
  5 ALA  QB      6 VAL  H       4.14           
  4 TRP  HA      4 TRP  HE3     3.97           
  4 TRP  HE3     5 ALA  HA      4.86           
  4 TRP  HA      4 TRP  HD1     4.31           
  4 TRP  HB2     4 TRP  HD1     3.74           
  4 TRP  HB3     4 TRP  HD1     3.74           
  5 ALA  HA      6 VAL  HA      5.09           
  4 TRP  HA      5 ALA  HA      4.96           
  5 ALA  QB      6 VAL  HA      5.29           
  5 ALA  HA      6 VAL  HB      5.03           
  5 ALA  HA      6 VAL  QG1     5.50           
  5 ALA  HA      6 VAL  QG2     5.50           
  4 TRP  H       4 TRP  QB      3.24           
  4 TRP  QB      4 TRP  HD1     3.22           
  4 TRP  QB      4 TRP  HE3     3.58           
  4 TRP  QB      5 ALA  H       3.64           
  6 VAL  H       6 VAL  QQG     4.00           
  6 VAL  QQG     7 GLY  H       4.46           
  6 VAL  QQG     7 GLY  QA      4.87           
  8 HIS  H       8 HIS  QB      3.60           
  8 HIS  QB      9 LEU  H       4.20           
  9 LEU  H       9 LEU  QB      3.60           

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  11.807   1.289   9.469
    2    H2   GLY   1           H2       GLY   1  10.346   1.702   8.824
    3    H3   GLY   1           H3       GLY   1  11.122   0.341   8.306
    4    HA2  GLY   1           HA2      GLY   1  12.056   3.083   7.962
    5    HA3  GLY   1           HA3      GLY   1  12.898   1.624   7.406
    6    H    ASN   2           H        ASN   2  11.405   0.121   6.047
    7    HA   ASN   2           HA       ASN   2  10.135   1.880   4.002
    8    HB2  ASN   2           HB2      ASN   2  12.118   0.210   3.551
    9    HB3  ASN   2           HB3      ASN   2  10.828  -1.008   3.529
   10   HD21  ASN   2          HD21      ASN   2  12.112  -0.884   1.250
   11   HD22  ASN   2          HD22      ASN   2  11.239   0.013   0.028
   12    H    HIS   3           H        HIS   3   8.069   1.608   3.348
   13    HA   HIS   3           HA       HIS   3   6.416  -0.209   5.011
   14    HB2  HIS   3           HB3      HIS   3   5.713   2.099   3.168
   15    HB3  HIS   3           HB2      HIS   3   4.513   1.081   3.985
   16    HD2  HIS   3           HD2      HIS   3   5.188   4.394   4.612
   17    HE1  HIS   3           HE1      HIS   3   6.110   2.788   8.429
   18    HE2  HIS   3           HE2      HIS   3   5.563   4.926   7.155
   19    H    TRP   4           H        TRP   4   6.589  -2.220   4.143
   20    HA   TRP   4           HA       TRP   4   6.682  -2.815   1.365
   21    HB2  TRP   4           HB2      TRP   4   6.612  -4.244   3.840
   22    HB3  TRP   4           HB3      TRP   4   5.390  -4.948   2.766
   23    HD1  TRP   4           HD1      TRP   4   8.687  -5.767   3.676
   24    HE1  TRP   4           HE1      TRP   4  10.087  -6.816   1.778
   25    HE3  TRP   4           HE3      TRP   4   5.797  -4.331  -0.287
   26    HZ2  TRP   4           HZ2      TRP   4   9.949  -6.992  -1.024
   27    HZ3  TRP   4           HZ3      TRP   4   6.499  -4.981  -2.557
   28    HH2  TRP   4           HH2      TRP   4   8.548  -6.297  -2.918
   29    H    ALA   5           H        ALA   5   3.922  -3.294   3.614
   30    HA   ALA   5           HA       ALA   5   2.090  -2.342   1.510
   31    HB1  ALA   5           HB1      ALA   5   0.674  -4.357   1.643
   32    HB2  ALA   5           HB2      ALA   5   2.294  -4.725   1.003
   33    HB3  ALA   5           HB3      ALA   5   1.889  -5.133   2.687
   34    H    VAL   6           H        VAL   6   1.206  -0.735   2.649
   35    HA   VAL   6           HA       VAL   6   0.681  -0.895   5.478
   36    HB   VAL   6           HB       VAL   6  -0.460   1.015   3.410
   37   HG11  VAL   6          HG11      VAL   6  -1.757   0.942   5.505
   38   HG12  VAL   6          HG12      VAL   6  -0.270   1.262   6.430
   39   HG13  VAL   6          HG13      VAL   6  -0.903   2.492   5.309
   40   HG21  VAL   6          HG21      VAL   6   2.003   1.029   3.479
   41   HG22  VAL   6          HG22      VAL   6   1.946   1.313   5.235
   42   HG23  VAL   6          HG23      VAL   6   1.314   2.543   4.114
   43    H    GLY   7           H        GLY   7  -1.685  -0.453   2.811
   44    HA2  GLY   7           HA3      GLY   7  -3.312  -2.659   3.409
   45    HA3  GLY   7           HA2      GLY   7  -3.870  -1.333   4.447
   46    H    HIS   8           H        HIS   8  -4.022   0.851   3.146
   47    HA   HIS   8           HA       HIS   8  -5.401   0.232   0.567
   48    HB2  HIS   8           HB2      HIS   8  -6.849   0.825   2.630
   49    HB3  HIS   8           HB3      HIS   8  -6.238   2.472   2.406
   50    HD2  HIS   8           HD2      HIS   8  -6.702   1.073  -1.036
   51    HE1  HIS   8           HE1      HIS   8 -10.432   2.829  -0.035
   52    HE2  HIS   8           HE2      HIS   8  -9.031   1.876  -1.939
   53    H    LEU   9           H        LEU   9  -2.662   0.958   0.837
   54    HA   LEU   9           HA       LEU   9  -2.697   3.764  -0.188
   55    HB2  LEU   9           HB2      LEU   9  -1.313   3.125   1.873
   56    HB3  LEU   9           HB3      LEU   9  -0.266   2.239   0.759
   57    HG   LEU   9           HG       LEU   9  -0.856   5.129   0.223
   58   HD11  LEU   9          HD11      LEU   9  -0.279   5.033   2.617
   59   HD12  LEU   9          HD12      LEU   9   1.003   5.812   1.659
   60   HD13  LEU   9          HD13      LEU   9   1.204   4.134   2.218
   61   HD21  LEU   9          HD21      LEU   9   0.406   3.775  -1.405
   62   HD22  LEU   9          HD22      LEU   9   1.406   5.072  -0.707
   63   HD23  LEU   9          HD23      LEU   9   1.608   3.394  -0.148
   64    H    MET  10           H        MET  10  -1.995   4.216  -2.194
   65    HA   MET  10           HA       MET  10  -0.990   1.905  -3.804
   66    HB2  MET  10           HB2      MET  10  -3.318   3.037  -4.270
   67    HB3  MET  10           HB3      MET  10  -2.334   4.296  -5.037
   68    HG2  MET  10           HG3      MET  10  -1.324   2.592  -6.509
   69    HG3  MET  10           HG2      MET  10  -2.325   1.346  -5.738
   70    HE1  MET  10           HE1      MET  10  -5.937   2.313  -6.838
   71    HE2  MET  10           HE2      MET  10  -5.107   2.725  -5.318
   72    HE3  MET  10           HE3      MET  10  -4.910   1.104  -6.028
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  12.652   0.765  -0.335
    2    H2   GLY   1           H2       GLY   1  13.415   0.855   1.124
    3    H3   GLY   1           H3       GLY   1  12.754  -0.571   0.626
    4    HA2  GLY   1           HA3      GLY   1  11.283   1.877   1.226
    5    HA3  GLY   1           HA2      GLY   1  10.578   0.338   0.694
    6    H    ASN   2           H        ASN   2  10.027   1.820   3.131
    7    HA   ASN   2           HA       ASN   2  11.197   0.025   5.198
    8    HB2  ASN   2           HB3      ASN   2  11.073   2.674   5.293
    9    HB3  ASN   2           HB2      ASN   2   9.420   2.352   5.852
   10   HD21  ASN   2          HD21      ASN   2   9.094   1.928   7.954
   11   HD22  ASN   2          HD22      ASN   2  10.350   1.535   9.107
   12    H    HIS   3           H        HIS   3   8.203   0.950   3.614
   13    HA   HIS   3           HA       HIS   3   6.849  -1.263   5.085
   14    HB2  HIS   3           HB2      HIS   3   5.837   1.544   4.611
   15    HB3  HIS   3           HB3      HIS   3   4.744   0.188   4.941
   16    HD2  HIS   3           HD2      HIS   3   6.257  -1.227   7.422
   17    HE1  HIS   3           HE1      HIS   3   6.224   2.626   9.199
   18    HE2  HIS   3           HE2      HIS   3   6.496   0.133   9.655
   19    H    TRP   4           H        TRP   4   6.257  -2.755   3.685
   20    HA   TRP   4           HA       TRP   4   6.212  -2.330   0.856
   21    HB2  TRP   4           HB3      TRP   4   6.019  -4.525   2.657
   22    HB3  TRP   4           HB2      TRP   4   4.598  -4.589   1.599
   23    HD1  TRP   4           HD1      TRP   4   7.771  -6.150   1.679
   24    HE1  TRP   4           HE1      TRP   4   8.737  -6.676  -0.657
   25    HE3  TRP   4           HE3      TRP   4   4.794  -3.057  -1.096
   26    HZ2  TRP   4           HZ2      TRP   4   8.275  -5.862  -3.309
   27    HZ3  TRP   4           HZ3      TRP   4   5.118  -2.983  -3.536
   28    HH2  TRP   4           HH2      TRP   4   6.832  -4.372  -4.627
   29    H    ALA   5           H        ALA   5   3.468  -3.238   2.986
   30    HA   ALA   5           HA       ALA   5   1.768  -1.296   1.548
   31    HB1  ALA   5           HB1      ALA   5   0.034  -2.986   1.086
   32    HB2  ALA   5           HB2      ALA   5   1.548  -3.333   0.216
   33    HB3  ALA   5           HB3      ALA   5   1.128  -4.260   1.676
   34    H    VAL   6           H        VAL   6   1.306  -0.104   3.310
   35    HA   VAL   6           HA       VAL   6   0.839  -1.173   5.917
   36    HB   VAL   6           HB       VAL   6  -0.123   1.458   4.740
   37   HG11  VAL   6          HG11      VAL   6  -1.298   0.814   6.808
   38   HG12  VAL   6          HG12      VAL   6   0.267   0.615   7.630
   39   HG13  VAL   6          HG13      VAL   6  -0.240   2.223   7.060
   40   HG21  VAL   6          HG21      VAL   6   2.314   1.157   4.557
   41   HG22  VAL   6          HG22      VAL   6   2.399   0.817   6.302
   42   HG23  VAL   6          HG23      VAL   6   1.891   2.425   5.732
   43    H    GLY   7           H        GLY   7  -1.243  -0.666   3.135
   44    HA2  GLY   7           HA2      GLY   7  -3.237  -2.425   4.055
   45    HA3  GLY   7           HA3      GLY   7  -3.740  -0.790   4.526
   46    H    HIS   8           H        HIS   8  -4.497   0.626   3.003
   47    HA   HIS   8           HA       HIS   8  -5.215  -0.597   0.423
   48    HB2  HIS   8           HB3      HIS   8  -6.790   0.765   1.912
   49    HB3  HIS   8           HB2      HIS   8  -5.881   2.191   1.383
   50    HD2  HIS   8           HD2      HIS   8  -6.278  -0.223  -1.526
   51    HE1  HIS   8           HE1      HIS   8  -9.462   2.564  -1.832
   52    HE2  HIS   8           HE2      HIS   8  -8.203   0.708  -3.044
   53    H    LEU   9           H        LEU   9  -2.573  -0.417   0.361
   54    HA   LEU   9           HA       LEU   9  -0.826   0.396  -0.900
   55    HB2  LEU   9           HB2      LEU   9  -2.831   0.461  -2.577
   56    HB3  LEU   9           HB3      LEU   9  -2.715   2.213  -2.375
   57    HG   LEU   9           HG       LEU   9  -0.249   1.949  -3.033
   58   HD11  LEU   9          HD11      LEU   9  -0.133  -0.492  -2.720
   59   HD12  LEU   9          HD12      LEU   9  -1.307  -0.712  -4.040
   60   HD13  LEU   9          HD13      LEU   9   0.297  -0.018  -4.381
   61   HD21  LEU   9          HD21      LEU   9  -1.987   2.927  -4.483
   62   HD22  LEU   9          HD22      LEU   9  -2.398   1.300  -5.078
   63   HD23  LEU   9          HD23      LEU   9  -0.794   1.994  -5.419
   64    H    MET  10           H        MET  10  -1.335   1.621   1.569
   65    HA   MET  10           HA       MET  10  -0.748   3.479   2.797
   66    HB2  MET  10           HB3      MET  10   0.826   4.011   0.262
   67    HB3  MET  10           HB2      MET  10   0.948   5.021   1.713
   68    HG2  MET  10           HG2      MET  10   1.830   3.231   3.005
   69    HG3  MET  10           HG3      MET  10   1.444   2.038   1.749
   70    HE1  MET  10           HE1      MET  10   4.971   5.006   1.781
   71    HE2  MET  10           HE2      MET  10   3.985   4.517   3.180
   72    HE3  MET  10           HE3      MET  10   3.289   5.570   1.925
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  10.060   3.701  -1.596
    2    H2   GLY   1           H2       GLY   1  11.287   3.778  -0.497
    3    H3   GLY   1           H3       GLY   1  10.675   2.314  -0.948
    4    HA2  GLY   1           HA2      GLY   1   9.231   4.400   0.490
    5    HA3  GLY   1           HA3      GLY   1   8.578   2.820   0.015
    6    H    ASN   2           H        ASN   2   8.280   3.235   2.549
    7    HA   ASN   2           HA       ASN   2  10.601   1.901   3.882
    8    HB2  ASN   2           HB2      ASN   2   8.519   3.784   5.039
    9    HB3  ASN   2           HB3      ASN   2   9.743   2.921   5.991
   10   HD21  ASN   2          HD21      ASN   2  12.065   3.273   5.259
   11   HD22  ASN   2          HD22      ASN   2  12.501   4.899   4.784
   12    H    HIS   3           H        HIS   3   7.128   1.951   3.347
   13    HA   HIS   3           HA       HIS   3   6.908  -0.582   4.919
   14    HB2  HIS   3           HB2      HIS   3   4.473  -0.067   5.021
   15    HB3  HIS   3           HB3      HIS   3   5.493   1.112   5.864
   16    HD2  HIS   3           HD2      HIS   3   5.727   3.638   4.529
   17    HE1  HIS   3           HE1      HIS   3   2.371   2.955   2.024
   18    HE2  HIS   3           HE2      HIS   3   4.006   4.720   2.868
   19    H    TRP   4           H        TRP   4   6.390  -2.402   3.900
   20    HA   TRP   4           HA       TRP   4   6.346  -2.512   1.044
   21    HB2  TRP   4           HB2      TRP   4   6.356  -4.350   3.255
   22    HB3  TRP   4           HB3      TRP   4   5.118  -4.854   2.091
   23    HD1  TRP   4           HD1      TRP   4   8.401  -5.857   2.779
   24    HE1  TRP   4           HE1      TRP   4   9.781  -6.523   0.703
   25    HE3  TRP   4           HE3      TRP   4   5.517  -3.625  -0.799
   26    HZ2  TRP   4           HZ2      TRP   4   9.633  -6.134  -2.078
   27    HZ3  TRP   4           HZ3      TRP   4   6.201  -3.817  -3.158
   28    HH2  TRP   4           HH2      TRP   4   8.235  -5.055  -3.786
   29    H    ALA   5           H        ALA   5   3.724  -3.322   3.361
   30    HA   ALA   5           HA       ALA   5   1.782  -2.035   1.557
   31    HB1  ALA   5           HB1      ALA   5   0.337  -4.030   1.468
   32    HB2  ALA   5           HB2      ALA   5   1.904  -4.309   0.673
   33    HB3  ALA   5           HB3      ALA   5   1.600  -4.973   2.296
   34    H    VAL   6           H        VAL   6   1.012  -0.615   2.991
   35    HA   VAL   6           HA       VAL   6   0.566  -1.349   5.778
   36    HB   VAL   6           HB       VAL   6   1.250   0.947   5.077
   37   HG11  VAL   6          HG11      VAL   6  -0.111   1.084   3.027
   38   HG12  VAL   6          HG12      VAL   6  -1.590   1.126   4.017
   39   HG13  VAL   6          HG13      VAL   6  -0.416   2.461   4.114
   40   HG21  VAL   6          HG21      VAL   6   0.172   0.528   7.252
   41   HG22  VAL   6          HG22      VAL   6  -1.423   0.798   6.509
   42   HG23  VAL   6          HG23      VAL   6  -0.249   2.132   6.606
   43    H    GLY   7           H        GLY   7  -1.304  -1.259   2.830
   44    HA2  GLY   7           HA3      GLY   7  -3.318  -2.663   2.798
   45    HA3  GLY   7           HA2      GLY   7  -3.672  -2.100   4.444
   46    H    HIS   8           H        HIS   8  -2.512   0.071   1.940
   47    HA   HIS   8           HA       HIS   8  -5.277   1.156   1.653
   48    HB2  HIS   8           HB2      HIS   8  -2.734   2.636   2.342
   49    HB3  HIS   8           HB3      HIS   8  -4.115   3.455   1.591
   50    HD2  HIS   8           HD2      HIS   8  -2.882   3.517   4.907
   51    HE1  HIS   8           HE1      HIS   8  -6.971   2.611   5.581
   52    HE2  HIS   8           HE2      HIS   8  -4.821   3.439   6.671
   53    H    LEU   9           H        LEU   9  -3.767  -0.607  -0.083
   54    HA   LEU   9           HA       LEU   9  -3.503   1.220  -2.435
   55    HB2  LEU   9           HB2      LEU   9  -1.943  -1.332  -1.974
   56    HB3  LEU   9           HB3      LEU   9  -1.759  -0.204  -3.322
   57    HG   LEU   9           HG       LEU   9  -1.157   0.455  -0.427
   58   HD11  LEU   9          HD11      LEU   9   0.351  -1.289  -1.301
   59   HD12  LEU   9          HD12      LEU   9   0.742  -0.247  -2.689
   60   HD13  LEU   9          HD13      LEU   9   1.203   0.252  -1.044
   61   HD21  LEU   9          HD21      LEU   9  -1.746   2.392  -1.832
   62   HD22  LEU   9          HD22      LEU   9  -0.031   2.419  -1.356
   63   HD23  LEU   9          HD23      LEU   9  -0.491   1.919  -3.002
   64    H    MET  10           H        MET  10  -5.838   0.719  -2.599
   65    HA   MET  10           HA       MET  10  -6.330  -2.008  -3.700
   66    HB2  MET  10           HB2      MET  10  -8.295   0.122  -2.797
   67    HB3  MET  10           HB3      MET  10  -8.718  -1.497  -3.382
   68    HG2  MET  10           HG3      MET  10  -7.376  -2.437  -1.464
   69    HG3  MET  10           HG2      MET  10  -7.215  -0.779  -0.853
   70    HE1  MET  10           HE1      MET  10 -10.928  -3.465  -0.711
   71    HE2  MET  10           HE2      MET  10 -10.020  -3.253  -2.227
   72    HE3  MET  10           HE3      MET  10  -9.222  -3.966  -0.805
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   9.336  -0.446  11.530
    2    H2   GLY   1           H2       GLY   1   8.550  -1.452  10.487
    3    H3   GLY   1           H3       GLY   1   8.827   0.118  10.066
    4    HA2  GLY   1           HA3      GLY   1  11.260  -0.457  10.408
    5    HA3  GLY   1           HA2      GLY   1  10.659  -2.113  10.199
    6    H    ASN   2           H        ASN   2   8.814  -2.008   8.291
    7    HA   ASN   2           HA       ASN   2  10.192  -0.699   5.983
    8    HB2  ASN   2           HB2      ASN   2   9.192  -2.769   4.713
    9    HB3  ASN   2           HB3      ASN   2  10.732  -2.910   5.582
   10   HD21  ASN   2          HD21      ASN   2  10.887  -4.819   6.567
   11   HD22  ASN   2          HD22      ASN   2   9.595  -5.639   7.415
   12    H    HIS   3           H        HIS   3   8.796  -0.396   4.077
   13    HA   HIS   3           HA       HIS   3   5.948   0.037   4.884
   14    HB2  HIS   3           HB2      HIS   3   6.011   1.995   3.285
   15    HB3  HIS   3           HB3      HIS   3   6.914   2.201   4.796
   16    HD2  HIS   3           HD2      HIS   3   7.501   2.101   0.964
   17    HE1  HIS   3           HE1      HIS   3  11.263   2.668   2.836
   18    HE2  HIS   3           HE2      HIS   3  10.039   2.658   0.605
   19    H    TRP   4           H        TRP   4   6.010  -2.259   3.926
   20    HA   TRP   4           HA       TRP   4   6.220  -2.428   1.027
   21    HB2  TRP   4           HB2      TRP   4   5.880  -4.241   3.273
   22    HB3  TRP   4           HB3      TRP   4   4.758  -4.639   1.959
   23    HD1  TRP   4           HD1      TRP   4   7.932  -5.783   3.057
   24    HE1  TRP   4           HE1      TRP   4   9.465  -6.603   1.149
   25    HE3  TRP   4           HE3      TRP   4   5.484  -3.623  -0.875
   26    HZ2  TRP   4           HZ2      TRP   4   9.586  -6.350  -1.649
   27    HZ3  TRP   4           HZ3      TRP   4   6.371  -3.958  -3.147
   28    HH2  TRP   4           HH2      TRP   4   8.397  -5.305  -3.528
   29    H    ALA   5           H        ALA   5   3.450  -3.164   3.184
   30    HA   ALA   5           HA       ALA   5   1.696  -1.593   1.394
   31    HB1  ALA   5           HB1      ALA   5   0.091  -3.454   1.177
   32    HB2  ALA   5           HB2      ALA   5   1.238  -4.530   2.010
   33    HB3  ALA   5           HB3      ALA   5   1.658  -3.838   0.425
   34    H    VAL   6           H        VAL   6   1.321  -0.150   3.041
   35    HA   VAL   6           HA       VAL   6   0.776  -0.739   5.727
   36    HB   VAL   6           HB       VAL   6   1.133   1.542   4.959
   37   HG11  VAL   6          HG11      VAL   6  -0.013   1.355   2.786
   38   HG12  VAL   6          HG12      VAL   6  -1.583   1.309   3.624
   39   HG13  VAL   6          HG13      VAL   6  -0.572   2.771   3.709
   40   HG21  VAL   6          HG21      VAL   6  -0.116   1.178   7.052
   41   HG22  VAL   6          HG22      VAL   6  -0.632   2.667   6.225
   42   HG23  VAL   6          HG23      VAL   6  -1.644   1.205   6.140
   43    H    GLY   7           H        GLY   7  -1.318  -0.972   2.904
   44    HA2  GLY   7           HA2      GLY   7  -3.057  -2.837   3.581
   45    HA3  GLY   7           HA3      GLY   7  -3.635  -1.554   4.662
   46    H    HIS   8           H        HIS   8  -3.305   0.681   3.027
   47    HA   HIS   8           HA       HIS   8  -5.613   0.326   1.262
   48    HB2  HIS   8           HB2      HIS   8  -5.067   2.344   2.786
   49    HB3  HIS   8           HB3      HIS   8  -3.946   2.831   1.503
   50    HD2  HIS   8           HD2      HIS   8  -5.154   3.715  -0.876
   51    HE1  HIS   8           HE1      HIS   8  -9.103   3.740   0.677
   52    HE2  HIS   8           HE2      HIS   8  -7.639   4.462  -1.281
   53    H    LEU   9           H        LEU   9  -3.960  -1.314   0.138
   54    HA   LEU   9           HA       LEU   9  -2.829   0.196  -2.182
   55    HB2  LEU   9           HB2      LEU   9  -1.124  -0.825  -0.622
   56    HB3  LEU   9           HB3      LEU   9  -1.751  -2.412  -1.084
   57    HG   LEU   9           HG       LEU   9  -0.828  -0.525  -3.223
   58   HD11  LEU   9          HD11      LEU   9   0.957  -0.482  -1.526
   59   HD12  LEU   9          HD12      LEU   9   1.013  -2.261  -1.547
   60   HD13  LEU   9          HD13      LEU   9   1.467  -1.338  -3.000
   61   HD21  LEU   9          HD21      LEU   9  -1.926  -2.654  -3.806
   62   HD22  LEU   9          HD22      LEU   9  -0.229  -2.617  -4.343
   63   HD23  LEU   9          HD23      LEU   9  -0.683  -3.540  -2.890
   64    H    MET  10           H        MET  10  -3.521  -0.388  -4.135
   65    HA   MET  10           HA       MET  10  -4.882  -3.027  -4.406
   66    HB2  MET  10           HB2      MET  10  -6.378  -0.861  -4.172
   67    HB3  MET  10           HB3      MET  10  -5.943  -0.635  -5.875
   68    HG2  MET  10           HG3      MET  10  -8.014  -1.795  -5.844
   69    HG3  MET  10           HG2      MET  10  -6.773  -2.980  -6.292
   70    HE1  MET  10           HE1      MET  10  -9.908  -4.037  -3.583
   71    HE2  MET  10           HE2      MET  10  -9.822  -2.400  -4.277
   72    HE3  MET  10           HE3      MET  10  -9.682  -3.824  -5.336
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  11.998   3.139   6.971
    2    H2   GLY   1           H2       GLY   1  10.998   3.287   5.668
    3    H3   GLY   1           H3       GLY   1  10.620   2.237   6.883
    4    HA2  GLY   1           HA3      GLY   1  12.551   2.001   4.760
    5    HA3  GLY   1           HA2      GLY   1  12.903   1.239   6.324
    6    H    ASN   2           H        ASN   2  10.581   0.273   7.213
    7    HA   ASN   2           HA       ASN   2   9.971  -1.794   5.176
    8    HB2  ASN   2           HB2      ASN   2   8.996  -1.814   8.029
    9    HB3  ASN   2           HB3      ASN   2   9.301  -3.183   6.943
   10   HD21  ASN   2          HD21      ASN   2  10.331  -2.087   9.717
   11   HD22  ASN   2          HD22      ASN   2  12.058  -2.338   9.601
   12    H    HIS   3           H        HIS   3   8.658  -0.351   3.884
   13    HA   HIS   3           HA       HIS   3   5.891  -0.178   4.987
   14    HB2  HIS   3           HB2      HIS   3   7.159   1.928   3.220
   15    HB3  HIS   3           HB3      HIS   3   5.554   1.976   3.969
   16    HD2  HIS   3           HD2      HIS   3   6.411   1.292   7.057
   17    HE1  HIS   3           HE1      HIS   3   8.992   4.633   6.647
   18    HE2  HIS   3           HE2      HIS   3   7.850   3.090   8.318
   19    H    TRP   4           H        TRP   4   5.995  -2.313   3.776
   20    HA   TRP   4           HA       TRP   4   6.068  -2.196   0.877
   21    HB2  TRP   4           HB2      TRP   4   5.821  -4.221   2.955
   22    HB3  TRP   4           HB3      TRP   4   4.699  -4.523   1.616
   23    HD1  TRP   4           HD1      TRP   4   7.936  -5.639   2.587
   24    HE1  TRP   4           HE1      TRP   4   9.465  -6.243   0.598
   25    HE3  TRP   4           HE3      TRP   4   5.338  -3.268  -1.122
   26    HZ2  TRP   4           HZ2      TRP   4   9.528  -5.758  -2.172
   27    HZ3  TRP   4           HZ3      TRP   4   6.199  -3.384  -3.426
   28    HH2  TRP   4           HH2      TRP   4   8.265  -4.616  -3.942
   29    H    ALA   5           H        ALA   5   3.393  -3.204   3.042
   30    HA   ALA   5           HA       ALA   5   1.545  -1.559   1.405
   31    HB1  ALA   5           HB1      ALA   5   1.538  -4.536   1.652
   32    HB2  ALA   5           HB2      ALA   5  -0.029  -3.694   1.663
   33    HB3  ALA   5           HB3      ALA   5   1.076  -3.498   0.282
   34    H    VAL   6           H        VAL   6   1.241  -0.155   3.102
   35    HA   VAL   6           HA       VAL   6   0.818  -0.824   5.797
   36    HB   VAL   6           HB       VAL   6   1.158   1.476   5.092
   37   HG11  VAL   6          HG11      VAL   6  -0.059   1.365   2.954
   38   HG12  VAL   6          HG12      VAL   6  -0.575   2.756   3.938
   39   HG13  VAL   6          HG13      VAL   6  -1.601   1.304   3.841
   40   HG21  VAL   6          HG21      VAL   6  -0.602   2.573   6.426
   41   HG22  VAL   6          HG22      VAL   6  -1.563   1.076   6.376
   42   HG23  VAL   6          HG23      VAL   6   0.007   1.099   7.215
   43    H    GLY   7           H        GLY   7  -1.404  -0.930   3.060
   44    HA2  GLY   7           HA2      GLY   7  -3.121  -2.824   3.829
   45    HA3  GLY   7           HA3      GLY   7  -3.676  -1.493   4.863
   46    H    HIS   8           H        HIS   8  -2.766   0.371   2.572
   47    HA   HIS   8           HA       HIS   8  -5.050  -0.169   0.728
   48    HB2  HIS   8           HB2      HIS   8  -5.764   1.501   2.369
   49    HB3  HIS   8           HB3      HIS   8  -4.341   2.494   2.007
   50    HD2  HIS   8           HD2      HIS   8  -4.821   4.395   0.147
   51    HE1  HIS   8           HE1      HIS   8  -8.239   2.635  -1.644
   52    HE2  HIS   8           HE2      HIS   8  -6.719   4.676  -1.645
   53    H    LEU   9           H        LEU   9  -3.335  -1.014  -0.640
   54    HA   LEU   9           HA       LEU   9  -1.682   1.151  -1.868
   55    HB2  LEU   9           HB2      LEU   9  -0.183  -0.572  -2.632
   56    HB3  LEU   9           HB3      LEU   9  -0.402  -0.706  -0.883
   57    HG   LEU   9           HG       LEU   9  -2.065  -2.406  -2.711
   58   HD11  LEU   9          HD11      LEU   9   0.245  -2.640  -3.537
   59   HD12  LEU   9          HD12      LEU   9  -0.325  -4.125  -2.739
   60   HD13  LEU   9          HD13      LEU   9   0.790  -3.028  -1.888
   61   HD21  LEU   9          HD21      LEU   9  -2.747  -3.002  -0.650
   62   HD22  LEU   9          HD22      LEU   9  -1.218  -3.909  -0.568
   63   HD23  LEU   9          HD23      LEU   9  -1.322  -2.277   0.132
   64    H    MET  10           H        MET  10  -4.132  -1.277  -2.397
   65    HA   MET  10           HA       MET  10  -4.017  -0.819  -5.333
   66    HB2  MET  10           HB2      MET  10  -4.134  -3.149  -4.431
   67    HB3  MET  10           HB3      MET  10  -5.728  -2.769  -3.756
   68    HG2  MET  10           HG2      MET  10  -6.723  -2.622  -5.861
   69    HG3  MET  10           HG3      MET  10  -5.174  -2.372  -6.689
   70    HE1  MET  10           HE1      MET  10  -3.861  -5.794  -7.461
   71    HE2  MET  10           HE2      MET  10  -4.153  -4.147  -8.069
   72    HE3  MET  10           HE3      MET  10  -3.233  -4.391  -6.565
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   8.656  -5.149   6.465
    2    H2   GLY   1           H2       GLY   1   8.468  -3.788   7.378
    3    H3   GLY   1           H3       GLY   1   7.634  -3.955   5.965
    4    HA2  GLY   1           HA2      GLY   1  10.532  -3.743   6.231
    5    HA3  GLY   1           HA3      GLY   1   9.641  -3.926   4.707
    6    H    ASN   2           H        ASN   2  10.163  -2.025   3.741
    7    HA   ASN   2           HA       ASN   2   9.676   0.484   5.256
    8    HB2  ASN   2           HB2      ASN   2  11.125  -0.166   2.683
    9    HB3  ASN   2           HB3      ASN   2  10.706   1.501   3.123
   10   HD21  ASN   2          HD21      ASN   2  12.810  -1.208   3.684
   11   HD22  ASN   2          HD22      ASN   2  13.852  -0.440   4.861
   12    H    HIS   3           H        HIS   3   7.369   0.270   5.245
   13    HA   HIS   3           HA       HIS   3   5.266   0.723   4.418
   14    HB2  HIS   3           HB2      HIS   3   6.932   2.274   2.418
   15    HB3  HIS   3           HB3      HIS   3   5.163   2.353   2.492
   16    HD2  HIS   3           HD2      HIS   3   8.225   3.980   4.085
   17    HE1  HIS   3           HE1      HIS   3   4.891   5.068   6.475
   18    HE2  HIS   3           HE2      HIS   3   7.354   5.536   6.012
   19    H    TRP   4           H        TRP   4   6.450  -1.739   3.645
   20    HA   TRP   4           HA       TRP   4   6.200  -2.287   0.864
   21    HB2  TRP   4           HB2      TRP   4   6.643  -3.755   3.305
   22    HB3  TRP   4           HB3      TRP   4   5.455  -4.614   2.308
   23    HD1  TRP   4           HD1      TRP   4   8.872  -5.005   2.894
   24    HE1  TRP   4           HE1      TRP   4  10.255  -5.709   0.832
   25    HE3  TRP   4           HE3      TRP   4   5.528  -3.705  -0.745
   26    HZ2  TRP   4           HZ2      TRP   4   9.934  -5.699  -1.962
   27    HZ3  TRP   4           HZ3      TRP   4   6.139  -4.084  -3.099
   28    HH2  TRP   4           HH2      TRP   4   8.313  -5.070  -3.699
   29    H    ALA   5           H        ALA   5   3.913  -3.163   3.491
   30    HA   ALA   5           HA       ALA   5   1.659  -2.440   1.741
   31    HB1  ALA   5           HB1      ALA   5   0.577  -4.643   1.971
   32    HB2  ALA   5           HB2      ALA   5   2.110  -4.747   1.073
   33    HB3  ALA   5           HB3      ALA   5   2.037  -5.270   2.772
   34    H    VAL   6           H        VAL   6   0.705  -1.044   3.072
   35    HA   VAL   6           HA       VAL   6   0.395  -1.793   5.931
   36    HB   VAL   6           HB       VAL   6   1.328   0.459   5.346
   37   HG11  VAL   6          HG11      VAL   6   0.030   2.136   4.323
   38   HG12  VAL   6          HG12      VAL   6  -0.243   0.688   3.325
   39   HG13  VAL   6          HG13      VAL   6  -1.475   1.203   4.501
   40   HG21  VAL   6          HG21      VAL   6   0.227   0.018   7.504
   41   HG22  VAL   6          HG22      VAL   6  -0.032   1.693   6.961
   42   HG23  VAL   6          HG23      VAL   6  -1.337   0.493   6.798
   43    H    GLY   7           H        GLY   7  -1.400  -1.245   2.968
   44    HA2  GLY   7           HA3      GLY   7  -3.564  -2.670   3.169
   45    HA3  GLY   7           HA2      GLY   7  -3.940  -1.548   4.490
   46    H    HIS   8           H        HIS   8  -2.466   0.590   2.834
   47    HA   HIS   8           HA       HIS   8  -4.879   1.357   1.290
   48    HB2  HIS   8           HB2      HIS   8  -2.460   2.879   2.274
   49    HB3  HIS   8           HB3      HIS   8  -3.626   3.579   1.139
   50    HD2  HIS   8           HD2      HIS   8  -6.427   2.824   2.503
   51    HE1  HIS   8           HE1      HIS   8  -4.798   4.465   6.061
   52    HE2  HIS   8           HE2      HIS   8  -6.956   3.777   4.892
   53    H    LEU   9           H        LEU   9  -3.586  -0.693   0.067
   54    HA   LEU   9           HA       LEU   9  -2.272   0.683  -2.238
   55    HB2  LEU   9           HB2      LEU   9  -1.512  -1.794  -0.745
   56    HB3  LEU   9           HB3      LEU   9  -1.226  -1.748  -2.489
   57    HG   LEU   9           HG       LEU   9   0.777  -1.139  -1.257
   58   HD11  LEU   9          HD11      LEU   9   0.355  -0.081  -3.442
   59   HD12  LEU   9          HD12      LEU   9  -0.461   1.273  -2.623
   60   HD13  LEU   9          HD13      LEU   9   1.276   0.988  -2.356
   61   HD21  LEU   9          HD21      LEU   9   0.900   0.420   0.409
   62   HD22  LEU   9          HD22      LEU   9  -0.401   1.421  -0.279
   63   HD23  LEU   9          HD23      LEU   9  -0.800  -0.063   0.619
   64    H    MET  10           H        MET  10  -2.468  -0.490  -4.295
   65    HA   MET  10           HA       MET  10  -5.132  -1.831  -4.446
   66    HB2  MET  10           HB3      MET  10  -4.874   0.319  -5.677
   67    HB3  MET  10           HB2      MET  10  -3.570  -0.415  -6.627
   68    HG2  MET  10           HG3      MET  10  -4.998  -1.747  -7.837
   69    HG3  MET  10           HG2      MET  10  -6.217  -1.798  -6.549
   70    HE1  MET  10           HE1      MET  10  -8.821   0.413  -7.914
   71    HE2  MET  10           HE2      MET  10  -8.341  -1.300  -7.864
   72    HE3  MET  10           HE3      MET  10  -8.237  -0.304  -6.393
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  11.551   1.016   0.770
    2    H2   GLY   1           H2       GLY   1  10.193   0.117   1.031
    3    H3   GLY   1           H3       GLY   1  10.822   1.032   2.250
    4    HA2  GLY   1           HA3      GLY   1  12.118  -1.261   0.991
    5    HA3  GLY   1           HA2      GLY   1  12.787  -0.274   2.305
    6    H    ASN   2           H        ASN   2  11.097   0.004   4.194
    7    HA   ASN   2           HA       ASN   2  10.518  -2.749   5.061
    8    HB2  ASN   2           HB3      ASN   2  10.177  -0.136   6.571
    9    HB3  ASN   2           HB2      ASN   2  10.153  -1.775   7.251
   10   HD21  ASN   2          HD21      ASN   2  11.873   0.254   8.183
   11   HD22  ASN   2          HD22      ASN   2  13.520  -0.202   7.808
   12    H    HIS   3           H        HIS   3   8.766   0.344   4.666
   13    HA   HIS   3           HA       HIS   3   6.197  -0.859   5.288
   14    HB2  HIS   3           HB2      HIS   3   7.039   1.797   4.118
   15    HB3  HIS   3           HB3      HIS   3   5.338   1.347   4.322
   16    HD2  HIS   3           HD2      HIS   3   6.559  -0.117   7.375
   17    HE1  HIS   3           HE1      HIS   3   6.393   4.007   8.353
   18    HE2  HIS   3           HE2      HIS   3   6.569   1.653   9.312
   19    H    TRP   4           H        TRP   4   6.163  -2.660   3.847
   20    HA   TRP   4           HA       TRP   4   6.271  -2.294   0.984
   21    HB2  TRP   4           HB3      TRP   4   5.854  -4.485   2.881
   22    HB3  TRP   4           HB2      TRP   4   4.819  -4.619   1.448
   23    HD1  TRP   4           HD1      TRP   4   7.985  -5.886   2.522
   24    HE1  TRP   4           HE1      TRP   4   9.601  -6.384   0.572
   25    HE3  TRP   4           HE3      TRP   4   5.612  -3.221  -1.136
   26    HZ2  TRP   4           HZ2      TRP   4   9.807  -5.718  -2.153
   27    HZ3  TRP   4           HZ3      TRP   4   6.583  -3.198  -3.398
   28    HH2  TRP   4           HH2      TRP   4   8.651  -4.432  -3.898
   29    H    ALA   5           H        ALA   5   3.500  -3.405   2.970
   30    HA   ALA   5           HA       ALA   5   1.755  -1.672   1.281
   31    HB1  ALA   5           HB1      ALA   5   0.054  -3.458   1.285
   32    HB2  ALA   5           HB2      ALA   5   1.558  -3.975   0.485
   33    HB3  ALA   5           HB3      ALA   5   1.192  -4.530   2.136
   34    H    VAL   6           H        VAL   6   1.568  -0.099   2.848
   35    HA   VAL   6           HA       VAL   6   1.120  -0.486   5.591
   36    HB   VAL   6           HB       VAL   6   1.597   1.714   4.674
   37   HG11  VAL   6          HG11      VAL   6   0.280   2.872   3.172
   38   HG12  VAL   6          HG12      VAL   6   0.036   1.197   2.620
   39   HG13  VAL   6          HG13      VAL   6  -1.200   1.992   3.624
   40   HG21  VAL   6          HG21      VAL   6   0.407   1.568   6.828
   41   HG22  VAL   6          HG22      VAL   6  -1.149   1.648   5.967
   42   HG23  VAL   6          HG23      VAL   6  -0.037   3.037   5.926
   43    H    GLY   7           H        GLY   7  -1.159  -0.609   2.886
   44    HA2  GLY   7           HA2      GLY   7  -2.982  -2.293   4.165
   45    HA3  GLY   7           HA3      GLY   7  -3.522  -0.642   4.531
   46    H    HIS   8           H        HIS   8  -4.713   0.428   3.070
   47    HA   HIS   8           HA       HIS   8  -5.092  -0.912   0.430
   48    HB2  HIS   8           HB2      HIS   8  -7.268   0.191   0.354
   49    HB3  HIS   8           HB3      HIS   8  -7.108  -0.794   1.819
   50    HD2  HIS   8           HD2      HIS   8  -7.458   2.951   0.758
   51    HE1  HIS   8           HE1      HIS   8  -7.643   2.734   4.991
   52    HE2  HIS   8           HE2      HIS   8  -7.924   4.272   2.978
   53    H    LEU   9           H        LEU   9  -2.927   0.978   1.154
   54    HA   LEU   9           HA       LEU   9  -3.629   3.459  -0.254
   55    HB2  LEU   9           HB2      LEU   9  -2.054   3.218   1.754
   56    HB3  LEU   9           HB3      LEU   9  -0.871   2.577   0.608
   57    HG   LEU   9           HG       LEU   9  -1.129   4.741  -0.686
   58   HD11  LEU   9          HD11      LEU   9  -3.290   5.423   0.285
   59   HD12  LEU   9          HD12      LEU   9  -2.041   6.670   0.512
   60   HD13  LEU   9          HD13      LEU   9  -2.509   5.622   1.872
   61   HD21  LEU   9          HD21      LEU   9   0.787   4.256   0.788
   62   HD22  LEU   9          HD22      LEU   9  -0.110   4.935   2.168
   63   HD23  LEU   9          HD23      LEU   9   0.358   5.984   0.808
   64    H    MET  10           H        MET  10  -3.630   3.622  -2.378
   65    HA   MET  10           HA       MET  10  -2.569   1.605  -4.111
   66    HB2  MET  10           HB2      MET  10  -4.434   3.340  -4.534
   67    HB3  MET  10           HB3      MET  10  -3.119   4.456  -4.945
   68    HG2  MET  10           HG3      MET  10  -3.205   1.759  -6.256
   69    HG3  MET  10           HG2      MET  10  -4.338   3.015  -6.791
   70    HE1  MET  10           HE1      MET  10  -1.931   3.491  -9.712
   71    HE2  MET  10           HE2      MET  10  -3.621   3.520  -9.155
   72    HE3  MET  10           HE3      MET  10  -2.672   2.018  -9.042
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1   9.823   4.649   1.172
    2    H2   GLY   1           H2       GLY   1  10.752   3.347   0.769
    3    H3   GLY   1           H3       GLY   1   9.107   3.220   0.767
    4    HA2  GLY   1           HA3      GLY   1  10.784   3.704   3.107
    5    HA3  GLY   1           HA2      GLY   1   9.015   3.571   3.102
    6    H    ASN   2           H        ASN   2   9.999   1.921   4.792
    7    HA   ASN   2           HA       ASN   2  10.797  -0.619   3.552
    8    HB2  ASN   2           HB3      ASN   2  10.896  -1.451   5.857
    9    HB3  ASN   2           HB2      ASN   2  11.785   0.075   5.687
   10   HD21  ASN   2          HD21      ASN   2  10.956   1.994   6.611
   11   HD22  ASN   2          HD22      ASN   2   9.725   1.948   7.853
   12    H    HIS   3           H        HIS   3   7.935   0.852   5.006
   13    HA   HIS   3           HA       HIS   3   6.400  -1.578   5.172
   14    HB2  HIS   3           HB3      HIS   3   5.625   1.349   5.094
   15    HB3  HIS   3           HB2      HIS   3   4.445   0.037   5.259
   16    HD2  HIS   3           HD2      HIS   3   6.329  -1.719   7.447
   17    HE1  HIS   3           HE1      HIS   3   5.728   1.736   9.836
   18    HE2  HIS   3           HE2      HIS   3   6.406  -0.721   9.873
   19    H    TRP   4           H        TRP   4   6.128  -2.785   3.401
   20    HA   TRP   4           HA       TRP   4   5.972  -1.786   0.739
   21    HB2  TRP   4           HB3      TRP   4   5.606  -4.359   2.115
   22    HB3  TRP   4           HB2      TRP   4   4.585  -4.172   0.677
   23    HD1  TRP   4           HD1      TRP   4   7.854  -5.479   1.544
   24    HE1  TRP   4           HE1      TRP   4   9.454  -5.559  -0.477
   25    HE3  TRP   4           HE3      TRP   4   5.256  -2.408  -1.609
   26    HZ2  TRP   4           HZ2      TRP   4   9.569  -4.446  -3.058
   27    HZ3  TRP   4           HZ3      TRP   4   6.181  -1.959  -3.846
   28    HH2  TRP   4           HH2      TRP   4   8.306  -2.969  -4.562
   29    H    ALA   5           H        ALA   5   3.299  -3.378   2.517
   30    HA   ALA   5           HA       ALA   5   1.458  -1.397   1.249
   31    HB1  ALA   5           HB1      ALA   5  -0.236  -3.185   1.134
   32    HB2  ALA   5           HB2      ALA   5   0.955  -4.345   1.770
   33    HB3  ALA   5           HB3      ALA   5   1.215  -3.582   0.182
   34    H    VAL   6           H        VAL   6   1.402  -0.039   3.024
   35    HA   VAL   6           HA       VAL   6   1.124  -0.762   5.714
   36    HB   VAL   6           HB       VAL   6   1.518   1.540   5.044
   37   HG11  VAL   6          HG11      VAL   6   0.092   2.848   3.785
   38   HG12  VAL   6          HG12      VAL   6  -0.175   1.249   3.051
   39   HG13  VAL   6          HG13      VAL   6  -1.346   1.896   4.224
   40   HG21  VAL   6          HG21      VAL   6  -0.084   2.676   6.534
   41   HG22  VAL   6          HG22      VAL   6  -1.116   1.226   6.520
   42   HG23  VAL   6          HG23      VAL   6   0.512   1.154   7.238
   43    H    GLY   7           H        GLY   7  -1.333  -0.589   3.172
   44    HA2  GLY   7           HA3      GLY   7  -3.058  -2.455   4.309
   45    HA3  GLY   7           HA2      GLY   7  -3.561  -0.894   4.985
   46    H    HIS   8           H        HIS   8  -2.838   0.641   2.617
   47    HA   HIS   8           HA       HIS   8  -5.269   0.037   1.056
   48    HB2  HIS   8           HB3      HIS   8  -4.584   2.359   1.915
   49    HB3  HIS   8           HB2      HIS   8  -3.361   2.340   0.633
   50    HD2  HIS   8           HD2      HIS   8  -7.112   1.172   0.172
   51    HE1  HIS   8           HE1      HIS   8  -6.327   4.464  -2.388
   52    HE2  HIS   8           HE2      HIS   8  -8.061   2.716  -1.727
   53    H    LEU   9           H        LEU   9  -3.616  -1.983   0.588
   54    HA   LEU   9           HA       LEU   9  -1.641  -1.706  -1.400
   55    HB2  LEU   9           HB3      LEU   9  -2.159  -4.072  -1.964
   56    HB3  LEU   9           HB2      LEU   9  -1.905  -3.770  -0.241
   57    HG   LEU   9           HG       LEU   9  -4.562  -3.571  -0.265
   58   HD11  LEU   9          HD11      LEU   9  -4.740  -3.926  -2.696
   59   HD12  LEU   9          HD12      LEU   9  -5.549  -5.218  -1.778
   60   HD13  LEU   9          HD13      LEU   9  -3.957  -5.515  -2.516
   61   HD21  LEU   9          HD21      LEU   9  -3.194  -5.094   1.108
   62   HD22  LEU   9          HD22      LEU   9  -4.639  -5.906   0.461
   63   HD23  LEU   9          HD23      LEU   9  -3.047  -6.203  -0.277
   64    H    MET  10           H        MET  10  -1.644  -1.991  -3.651
   65    HA   MET  10           HA       MET  10  -3.695  -0.589  -5.034
   66    HB2  MET  10           HB3      MET  10  -1.688  -2.548  -6.196
   67    HB3  MET  10           HB2      MET  10  -2.562  -1.276  -7.068
   68    HG2  MET  10           HG2      MET  10  -1.342   0.443  -6.038
   69    HG3  MET  10           HG3      MET  10  -0.741  -0.625  -4.755
   70    HE1  MET  10           HE1      MET  10   2.487   0.427  -6.805
   71    HE2  MET  10           HE2      MET  10   1.695   0.445  -5.211
   72    HE3  MET  10           HE3      MET  10   1.036   1.424  -6.544
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   9.324   5.752   8.738
    2    H2   GLY   1           H2       GLY   1  10.018   5.946   7.254
    3    H3   GLY   1           H3       GLY   1   8.376   5.930   7.400
    4    HA2  GLY   1           HA3      GLY   1  10.163   3.691   7.961
    5    HA3  GLY   1           HA2      GLY   1   8.395   3.679   8.112
    6    H    ASN   2           H        ASN   2   9.916   1.898   6.500
    7    HA   ASN   2           HA       ASN   2   8.937   2.734   3.802
    8    HB2  ASN   2           HB2      ASN   2  10.814   1.275   2.904
    9    HB3  ASN   2           HB3      ASN   2  11.301   2.817   3.635
   10   HD21  ASN   2          HD21      ASN   2  11.775  -0.548   3.582
   11   HD22  ASN   2          HD22      ASN   2  12.744  -0.694   5.031
   12    H    HIS   3           H        HIS   3   7.009   1.603   4.902
   13    HA   HIS   3           HA       HIS   3   7.178  -1.313   5.013
   14    HB2  HIS   3           HB3      HIS   3   4.975   0.716   5.356
   15    HB3  HIS   3           HB2      HIS   3   4.606  -1.009   5.200
   16    HD2  HIS   3           HD2      HIS   3   7.455  -1.684   7.114
   17    HE1  HIS   3           HE1      HIS   3   4.903  -0.053  10.086
   18    HE2  HIS   3           HE2      HIS   3   7.012  -1.428   9.690
   19    H    TRP   4           H        TRP   4   6.189  -2.786   3.637
   20    HA   TRP   4           HA       TRP   4   6.234  -2.051   0.848
   21    HB2  TRP   4           HB2      TRP   4   5.965  -4.479   2.451
   22    HB3  TRP   4           HB3      TRP   4   4.911  -4.500   1.026
   23    HD1  TRP   4           HD1      TRP   4   8.162  -5.699   1.914
   24    HE1  TRP   4           HE1      TRP   4   9.777  -5.862  -0.092
   25    HE3  TRP   4           HE3      TRP   4   5.593  -2.754  -1.380
   26    HZ2  TRP   4           HZ2      TRP   4   9.910  -4.859  -2.715
   27    HZ3  TRP   4           HZ3      TRP   4   6.531  -2.400  -3.626
   28    HH2  TRP   4           HH2      TRP   4   8.661  -3.440  -4.286
   29    H    ALA   5           H        ALA   5   3.549  -3.544   2.697
   30    HA   ALA   5           HA       ALA   5   1.694  -1.717   1.239
   31    HB1  ALA   5           HB1      ALA   5   0.088  -3.578   1.044
   32    HB2  ALA   5           HB2      ALA   5   1.290  -4.681   1.755
   33    HB3  ALA   5           HB3      ALA   5   1.606  -3.918   0.178
   34    H    VAL   6           H        VAL   6   1.423  -0.349   2.971
   35    HA   VAL   6           HA       VAL   6   1.031  -1.088   5.657
   36    HB   VAL   6           HB       VAL   6  -0.208   1.255   4.173
   37   HG11  VAL   6          HG11      VAL   6  -1.294   0.798   6.337
   38   HG12  VAL   6          HG12      VAL   6   0.294   0.856   7.140
   39   HG13  VAL   6          HG13      VAL   6  -0.368   2.318   6.371
   40   HG21  VAL   6          HG21      VAL   6   2.245   1.156   3.973
   41   HG22  VAL   6          HG22      VAL   6   2.381   1.067   5.745
   42   HG23  VAL   6          HG23      VAL   6   1.719   2.529   4.976
   43    H    GLY   7           H        GLY   7  -1.606  -0.011   3.469
   44    HA2  GLY   7           HA2      GLY   7  -3.278  -2.240   3.849
   45    HA3  GLY   7           HA3      GLY   7  -3.644  -1.101   5.159
   46    H    HIS   8           H        HIS   8  -2.629  -0.236   1.876
   47    HA   HIS   8           HA       HIS   8  -5.403   0.727   1.342
   48    HB2  HIS   8           HB3      HIS   8  -3.629   2.507   2.100
   49    HB3  HIS   8           HB2      HIS   8  -3.011   2.315   0.451
   50    HD2  HIS   8           HD2      HIS   8  -4.625   3.352  -1.581
   51    HE1  HIS   8           HE1      HIS   8  -7.460   5.145   1.014
   52    HE2  HIS   8           HE2      HIS   8  -6.672   4.983  -1.401
   53    H    LEU   9           H        LEU   9  -3.939  -1.671   0.481
   54    HA   LEU   9           HA       LEU   9  -3.150  -1.215  -2.287
   55    HB2  LEU   9           HB2      LEU   9  -2.108  -2.984  -1.023
   56    HB3  LEU   9           HB3      LEU   9  -3.672  -3.734  -0.686
   57    HG   LEU   9           HG       LEU   9  -3.841  -3.976  -3.271
   58   HD11  LEU   9          HD11      LEU   9  -1.903  -2.541  -3.781
   59   HD12  LEU   9          HD12      LEU   9  -0.839  -3.683  -2.926
   60   HD13  LEU   9          HD13      LEU   9  -1.685  -4.193  -4.407
   61   HD21  LEU   9          HD21      LEU   9  -3.612  -5.836  -1.670
   62   HD22  LEU   9          HD22      LEU   9  -2.691  -6.132  -3.165
   63   HD23  LEU   9          HD23      LEU   9  -1.845  -5.623  -1.684
   64    H    MET  10           H        MET  10  -4.274  -1.564  -4.131
   65    HA   MET  10           HA       MET  10  -7.088  -1.287  -4.109
   66    HB2  MET  10           HB3      MET  10  -7.008  -1.636  -6.467
   67    HB3  MET  10           HB2      MET  10  -5.530  -0.771  -6.012
   68    HG2  MET  10           HG2      MET  10  -4.376  -3.035  -5.959
   69    HG3  MET  10           HG3      MET  10  -5.827  -3.689  -6.743
   70    HE1  MET  10           HE1      MET  10  -2.348  -2.570  -9.011
   71    HE2  MET  10           HE2      MET  10  -2.852  -3.901  -7.942
   72    HE3  MET  10           HE3      MET  10  -2.395  -2.327  -7.249
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  11.510   2.653  -1.565
    2    H2   GLY   1           H2       GLY   1  12.262   3.089  -0.163
    3    H3   GLY   1           H3       GLY   1  12.014   1.495  -0.505
    4    HA2  GLY   1           HA2      GLY   1   9.899   3.459  -0.095
    5    HA3  GLY   1           HA3      GLY   1   9.694   1.712  -0.332
    6    H    ASN   2           H        ASN   2   8.547   2.860   1.837
    7    HA   ASN   2           HA       ASN   2  10.400   2.275   4.098
    8    HB2  ASN   2           HB2      ASN   2   7.759   3.770   3.992
    9    HB3  ASN   2           HB3      ASN   2   8.647   3.414   5.487
   10   HD21  ASN   2          HD21      ASN   2   9.214   5.448   6.124
   11   HD22  ASN   2          HD22      ASN   2  10.222   6.523   5.182
   12    H    HIS   3           H        HIS   3   6.857   2.011   3.641
   13    HA   HIS   3           HA       HIS   3   6.944  -0.570   5.094
   14    HB2  HIS   3           HB3      HIS   3   4.528   1.007   4.158
   15    HB3  HIS   3           HB2      HIS   3   4.555  -0.340   5.310
   16    HD2  HIS   3           HD2      HIS   3   5.117   0.325   7.919
   17    HE1  HIS   3           HE1      HIS   3   5.792   4.458   7.242
   18    HE2  HIS   3           HE2      HIS   3   5.519   2.667   9.033
   19    H    TRP   4           H        TRP   4   6.422  -2.503   4.234
   20    HA   TRP   4           HA       TRP   4   6.653  -2.848   1.405
   21    HB2  TRP   4           HB2      TRP   4   6.356  -4.517   3.770
   22    HB3  TRP   4           HB3      TRP   4   5.409  -5.148   2.411
   23    HD1  TRP   4           HD1      TRP   4   8.551  -5.870   3.833
   24    HE1  TRP   4           HE1      TRP   4  10.345  -6.597   2.125
   25    HE3  TRP   4           HE3      TRP   4   6.301  -4.150  -0.421
   26    HZ2  TRP   4           HZ2      TRP   4  10.723  -6.444  -0.656
   27    HZ3  TRP   4           HZ3      TRP   4   7.444  -4.478  -2.577
   28    HH2  TRP   4           HH2      TRP   4   9.625  -5.611  -2.692
   29    H    ALA   5           H        ALA   5   3.834  -3.400   3.561
   30    HA   ALA   5           HA       ALA   5   2.081  -2.496   1.348
   31    HB1  ALA   5           HB1      ALA   5   0.570  -4.415   1.679
   32    HB2  ALA   5           HB2      ALA   5   2.179  -4.927   1.116
   33    HB3  ALA   5           HB3      ALA   5   1.732  -5.123   2.828
   34    H    VAL   6           H        VAL   6   1.589  -0.639   2.467
   35    HA   VAL   6           HA       VAL   6   0.966  -0.415   5.192
   36    HB   VAL   6           HB       VAL   6  -0.273   1.137   2.894
   37   HG11  VAL   6          HG11      VAL   6  -1.492   1.392   5.021
   38   HG12  VAL   6          HG12      VAL   6   0.024   1.862   5.827
   39   HG13  VAL   6          HG13      VAL   6  -0.662   2.895   4.550
   40   HG21  VAL   6          HG21      VAL   6   2.190   1.173   2.867
   41   HG22  VAL   6          HG22      VAL   6   2.195   1.732   4.557
   42   HG23  VAL   6          HG23      VAL   6   1.509   2.765   3.280
   43    H    GLY   7           H        GLY   7  -1.419  -0.639   2.510
   44    HA2  GLY   7           HA2      GLY   7  -3.026  -2.646   3.362
   45    HA3  GLY   7           HA3      GLY   7  -3.505  -1.334   4.456
   46    H    HIS   8           H        HIS   8  -4.071   0.775   3.349
   47    HA   HIS   8           HA       HIS   8  -5.698   0.125   0.931
   48    HB2  HIS   8           HB2      HIS   8  -6.747   0.950   3.164
   49    HB3  HIS   8           HB3      HIS   8  -6.115   2.538   2.694
   50    HD2  HIS   8           HD2      HIS   8  -7.937   3.951   1.303
   51    HE1  HIS   8           HE1      HIS   8 -10.100   0.701  -0.359
   52    HE2  HIS   8           HE2      HIS   8  -9.970   3.242  -0.200
   53    H    LEU   9           H        LEU   9  -3.425   0.431  -0.069
   54    HA   LEU   9           HA       LEU   9  -2.225   2.977  -0.281
   55    HB2  LEU   9           HB3      LEU   9  -2.367   0.632  -2.183
   56    HB3  LEU   9           HB2      LEU   9  -1.458   2.100  -2.558
   57    HG   LEU   9           HG       LEU   9  -0.936   0.532  -0.039
   58   HD11  LEU   9          HD11      LEU   9  -0.724  -1.009  -1.951
   59   HD12  LEU   9          HD12      LEU   9   0.380   0.138  -2.746
   60   HD13  LEU   9          HD13      LEU   9   0.857  -0.643  -1.219
   61   HD21  LEU   9          HD21      LEU   9  -0.048   2.827  -0.200
   62   HD22  LEU   9          HD22      LEU   9   1.254   1.615  -0.189
   63   HD23  LEU   9          HD23      LEU   9   0.779   2.395  -1.716
   64    H    MET  10           H        MET  10  -2.843   4.829  -1.138
   65    HA   MET  10           HA       MET  10  -5.374   5.078  -2.497
   66    HB2  MET  10           HB2      MET  10  -4.090   6.797  -1.040
   67    HB3  MET  10           HB3      MET  10  -3.203   7.176  -2.527
   68    HG2  MET  10           HG2      MET  10  -4.985   8.743  -2.337
   69    HG3  MET  10           HG3      MET  10  -5.418   7.615  -3.636
   70    HE1  MET  10           HE1      MET  10  -8.443   8.951  -0.990
   71    HE2  MET  10           HE2      MET  10  -7.610   9.481  -2.470
   72    HE3  MET  10           HE3      MET  10  -6.787   9.595  -0.896
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  12.636  -0.171   0.632
    2    H2   GLY   1           H2       GLY   1  12.494  -1.383   1.741
    3    H3   GLY   1           H3       GLY   1  13.089   0.086   2.196
    4    HA2  GLY   1           HA2      GLY   1  11.023   1.136   1.746
    5    HA3  GLY   1           HA3      GLY   1  10.378  -0.441   1.251
    6    H    ASN   2           H        ASN   2  10.639   1.753   3.755
    7    HA   ASN   2           HA       ASN   2  10.927   0.102   6.045
    8    HB2  ASN   2           HB3      ASN   2   9.837   1.916   7.271
    9    HB3  ASN   2           HB2      ASN   2  11.012   2.561   6.108
   10   HD21  ASN   2          HD21      ASN   2   7.998   3.023   7.373
   11   HD22  ASN   2          HD22      ASN   2   7.247   3.887   6.050
   12    H    HIS   3           H        HIS   3   8.222   0.652   3.887
   13    HA   HIS   3           HA       HIS   3   6.752  -1.511   5.248
   14    HB2  HIS   3           HB2      HIS   3   5.801   1.338   5.064
   15    HB3  HIS   3           HB3      HIS   3   4.634   0.006   5.032
   16    HD2  HIS   3           HD2      HIS   3   5.327  -1.847   7.408
   17    HE1  HIS   3           HE1      HIS   3   6.000   1.612   9.771
   18    HE2  HIS   3           HE2      HIS   3   5.572  -0.901   9.845
   19    H    TRP   4           H        TRP   4   6.160  -2.882   3.730
   20    HA   TRP   4           HA       TRP   4   6.233  -2.201   0.933
   21    HB2  TRP   4           HB2      TRP   4   5.780  -4.580   2.584
   22    HB3  TRP   4           HB3      TRP   4   4.780  -4.558   1.120
   23    HD1  TRP   4           HD1      TRP   4   7.935  -5.913   2.161
   24    HE1  TRP   4           HE1      TRP   4   9.602  -6.224   0.213
   25    HE3  TRP   4           HE3      TRP   4   5.628  -2.942  -1.298
   26    HZ2  TRP   4           HZ2      TRP   4   9.868  -5.310  -2.433
   27    HZ3  TRP   4           HZ3      TRP   4   6.652  -2.706  -3.525
   28    HH2  TRP   4           HH2      TRP   4   8.745  -3.876  -4.084
   29    H    ALA   5           H        ALA   5   3.460  -3.512   2.789
   30    HA   ALA   5           HA       ALA   5   1.716  -1.649   1.237
   31    HB1  ALA   5           HB1      ALA   5  -0.015  -3.406   1.235
   32    HB2  ALA   5           HB2      ALA   5   1.122  -4.517   2.035
   33    HB3  ALA   5           HB3      ALA   5   1.462  -3.928   0.390
   34    H    VAL   6           H        VAL   6   1.606  -0.113   2.854
   35    HA   VAL   6           HA       VAL   6   1.206  -0.560   5.592
   36    HB   VAL   6           HB       VAL   6   0.074   1.697   3.905
   37   HG11  VAL   6          HG11      VAL   6  -0.991   1.519   6.121
   38   HG12  VAL   6          HG12      VAL   6   0.021   2.977   5.988
   39   HG13  VAL   6          HG13      VAL   6   0.614   1.561   6.890
   40   HG21  VAL   6          HG21      VAL   6   2.512   1.431   3.679
   41   HG22  VAL   6          HG22      VAL   6   2.086   2.925   4.548
   42   HG23  VAL   6          HG23      VAL   6   2.679   1.509   5.449
   43    H    GLY   7           H        GLY   7  -1.172  -0.455   2.953
   44    HA2  GLY   7           HA2      GLY   7  -2.995  -2.147   4.324
   45    HA3  GLY   7           HA3      GLY   7  -3.504  -0.466   4.569
   46    H    HIS   8           H        HIS   8  -4.644   0.539   3.019
   47    HA   HIS   8           HA       HIS   8  -5.099  -1.007   0.509
   48    HB2  HIS   8           HB3      HIS   8  -6.795   1.255   1.596
   49    HB3  HIS   8           HB2      HIS   8  -7.214   0.074   0.343
   50    HD2  HIS   8           HD2      HIS   8  -7.977   0.629   3.933
   51    HE1  HIS   8           HE1      HIS   8  -8.131  -3.581   3.443
   52    HE2  HIS   8           HE2      HIS   8  -8.730  -1.652   4.991
   53    H    LEU   9           H        LEU   9  -3.106  -0.201  -0.409
   54    HA   LEU   9           HA       LEU   9  -2.500   2.538  -0.763
   55    HB2  LEU   9           HB2      LEU   9  -0.916   1.861  -2.315
   56    HB3  LEU   9           HB3      LEU   9  -1.074   0.459  -1.251
   57    HG   LEU   9           HG       LEU   9  -2.415   0.742  -3.955
   58   HD11  LEU   9          HD11      LEU   9   0.039   0.652  -4.148
   59   HD12  LEU   9          HD12      LEU   9  -0.728  -0.830  -4.767
   60   HD13  LEU   9          HD13      LEU   9   0.057  -0.835  -3.170
   61   HD21  LEU   9          HD21      LEU   9  -2.486  -1.851  -3.565
   62   HD22  LEU   9          HD22      LEU   9  -2.331  -1.401  -1.850
   63   HD23  LEU   9          HD23      LEU   9  -3.707  -0.801  -2.806
   64    H    MET  10           H        MET  10  -2.503   3.729  -2.853
   65    HA   MET  10           HA       MET  10  -5.239   3.813  -3.873
   66    HB2  MET  10           HB2      MET  10  -3.807   5.833  -3.384
   67    HB3  MET  10           HB3      MET  10  -2.832   5.409  -4.802
   68    HG2  MET  10           HG2      MET  10  -4.498   5.974  -6.289
   69    HG3  MET  10           HG3      MET  10  -5.799   5.677  -5.120
   70    HE1  MET  10           HE1      MET  10  -4.703   9.651  -6.453
   71    HE2  MET  10           HE2      MET  10  -3.735   8.241  -6.947
   72    HE3  MET  10           HE3      MET  10  -5.504   8.222  -7.150
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  12.611   5.641   6.333
    2    H2   GLY   1           H2       GLY   1  12.309   5.918   4.735
    3    H3   GLY   1           H3       GLY   1  13.078   4.536   5.202
    4    HA2  GLY   1           HA2      GLY   1  11.164   3.783   6.360
    5    HA3  GLY   1           HA3      GLY   1  10.332   5.270   5.865
    6    H    ASN   2           H        ASN   2  10.845   2.047   5.158
    7    HA   ASN   2           HA       ASN   2   9.882   2.469   2.359
    8    HB2  ASN   2           HB2      ASN   2  12.300   1.564   2.710
    9    HB3  ASN   2           HB3      ASN   2  11.495   0.054   3.179
   10   HD21  ASN   2          HD21      ASN   2  13.066   1.365   0.705
   11   HD22  ASN   2          HD22      ASN   2  12.193   0.694  -0.654
   12    H    HIS   3           H        HIS   3   7.740   2.369   3.288
   13    HA   HIS   3           HA       HIS   3   6.780   0.122   4.754
   14    HB2  HIS   3           HB2      HIS   3   5.312   2.001   2.878
   15    HB3  HIS   3           HB3      HIS   3   4.535   0.880   4.009
   16    HD2  HIS   3           HD2      HIS   3   6.381   4.315   3.999
   17    HE1  HIS   3           HE1      HIS   3   5.009   3.558   7.940
   18    HE2  HIS   3           HE2      HIS   3   6.061   5.300   6.411
   19    H    TRP   4           H        TRP   4   5.893  -1.799   4.180
   20    HA   TRP   4           HA       TRP   4   6.433  -2.676   1.406
   21    HB2  TRP   4           HB2      TRP   4   6.636  -3.884   3.947
   22    HB3  TRP   4           HB3      TRP   4   5.305  -4.717   3.123
   23    HD1  TRP   4           HD1      TRP   4   8.812  -5.211   3.616
   24    HE1  TRP   4           HE1      TRP   4   9.945  -6.511   1.694
   25    HE3  TRP   4           HE3      TRP   4   5.166  -4.673   0.077
   26    HZ2  TRP   4           HZ2      TRP   4   9.340  -7.196  -0.964
   27    HZ3  TRP   4           HZ3      TRP   4   5.516  -5.682  -2.143
   28    HH2  TRP   4           HH2      TRP   4   7.575  -6.929  -2.654
   29    H    ALA   5           H        ALA   5   3.781  -3.248   3.757
   30    HA   ALA   5           HA       ALA   5   1.806  -2.483   1.723
   31    HB1  ALA   5           HB1      ALA   5   0.597  -4.628   1.837
   32    HB2  ALA   5           HB2      ALA   5   2.224  -4.818   1.141
   33    HB3  ALA   5           HB3      ALA   5   1.913  -5.309   2.824
   34    H    VAL   6           H        VAL   6   0.725  -1.038   2.890
   35    HA   VAL   6           HA       VAL   6   0.120  -1.629   5.726
   36    HB   VAL   6           HB       VAL   6   0.970   0.601   5.242
   37   HG11  VAL   6          HG11      VAL   6   0.438   1.698   3.376
   38   HG12  VAL   6          HG12      VAL   6  -0.678   0.382   2.937
   39   HG13  VAL   6          HG13      VAL   6  -1.267   1.772   3.880
   40   HG21  VAL   6          HG21      VAL   6  -0.677   0.332   7.053
   41   HG22  VAL   6          HG22      VAL   6  -0.792   1.935   6.289
   42   HG23  VAL   6          HG23      VAL   6  -1.991   0.677   5.903
   43    H    GLY   7           H        GLY   7  -1.406  -1.467   2.584
   44    HA2  GLY   7           HA2      GLY   7  -3.464  -2.786   2.342
   45    HA3  GLY   7           HA3      GLY   7  -3.983  -2.174   3.925
   46    H    HIS   8           H        HIS   8  -2.814   0.536   3.055
   47    HA   HIS   8           HA       HIS   8  -5.321   1.455   1.795
   48    HB2  HIS   8           HB2      HIS   8  -3.994   2.520   3.813
   49    HB3  HIS   8           HB3      HIS   8  -3.047   3.281   2.522
   50    HD2  HIS   8           HD2      HIS   8  -4.040   5.749   2.097
   51    HE1  HIS   8           HE1      HIS   8  -8.149   4.874   2.675
   52    HE2  HIS   8           HE2      HIS   8  -6.482   6.709   2.095
   53    H    LEU   9           H        LEU   9  -4.257   0.022  -0.089
   54    HA   LEU   9           HA       LEU   9  -2.841   1.970  -1.865
   55    HB2  LEU   9           HB2      LEU   9  -1.571  -0.112  -1.119
   56    HB3  LEU   9           HB3      LEU   9  -2.712  -1.044  -2.097
   57    HG   LEU   9           HG       LEU   9  -1.957   0.535  -4.028
   58   HD11  LEU   9          HD11      LEU   9  -0.701   2.096  -2.593
   59   HD12  LEU   9          HD12      LEU   9   0.343   1.341  -3.821
   60   HD13  LEU   9          HD13      LEU   9   0.403   0.778  -2.133
   61   HD21  LEU   9          HD21      LEU   9  -1.519  -1.888  -3.894
   62   HD22  LEU   9          HD22      LEU   9  -0.138  -1.004  -4.586
   63   HD23  LEU   9          HD23      LEU   9  -0.078  -1.568  -2.899
   64    H    MET  10           H        MET  10  -3.870   2.571  -3.640
   65    HA   MET  10           HA       MET  10  -6.025   0.791  -4.688
   66    HB2  MET  10           HB3      MET  10  -6.919   2.741  -3.342
   67    HB3  MET  10           HB2      MET  10  -6.206   3.812  -4.561
   68    HG2  MET  10           HG2      MET  10  -7.660   3.071  -6.246
   69    HG3  MET  10           HG3      MET  10  -8.133   1.625  -5.333
   70    HE1  MET  10           HE1      MET  10 -11.540   3.477  -5.379
   71    HE2  MET  10           HE2      MET  10 -10.358   3.284  -6.695
   72    HE3  MET  10           HE3      MET  10 -10.691   1.927  -5.593
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  13.413   0.340   9.727
    2    H2   GLY   1           H2       GLY   1  13.471   0.690   8.117
    3    H3   GLY   1           H3       GLY   1  12.606   1.653   9.139
    4    HA2  GLY   1           HA3      GLY   1  12.031  -1.143   8.527
    5    HA3  GLY   1           HA2      GLY   1  11.102  -0.102   9.623
    6    H    ASN   2           H        ASN   2  11.433  -1.237   6.458
    7    HA   ASN   2           HA       ASN   2   9.762   0.997   5.393
    8    HB2  ASN   2           HB2      ASN   2  11.468  -1.073   3.972
    9    HB3  ASN   2           HB3      ASN   2  10.405   0.084   3.147
   10   HD21  ASN   2          HD21      ASN   2  12.913   0.220   2.347
   11   HD22  ASN   2          HD22      ASN   2  13.762   1.581   3.044
   12    H    HIS   3           H        HIS   3   7.690   0.654   5.014
   13    HA   HIS   3           HA       HIS   3   6.720  -2.166   5.046
   14    HB2  HIS   3           HB2      HIS   3   5.377   0.476   5.656
   15    HB3  HIS   3           HB3      HIS   3   4.463  -1.025   5.425
   16    HD2  HIS   3           HD2      HIS   3   4.129  -2.442   7.703
   17    HE1  HIS   3           HE1      HIS   3   7.263  -0.686   9.962
   18    HE2  HIS   3           HE2      HIS   3   5.325  -2.339  10.040
   19    H    TRP   4           H        TRP   4   6.033  -3.072   3.241
   20    HA   TRP   4           HA       TRP   4   6.057  -1.675   0.741
   21    HB2  TRP   4           HB2      TRP   4   5.523  -4.392   1.709
   22    HB3  TRP   4           HB3      TRP   4   4.524  -3.946   0.314
   23    HD1  TRP   4           HD1      TRP   4   7.650  -5.614   0.946
   24    HE1  TRP   4           HE1      TRP   4   9.298  -5.460  -1.036
   25    HE3  TRP   4           HE3      TRP   4   5.400  -1.812  -1.626
   26    HZ2  TRP   4           HZ2      TRP   4   9.572  -3.917  -3.370
   27    HZ3  TRP   4           HZ3      TRP   4   6.421  -1.048  -3.733
   28    HH2  TRP   4           HH2      TRP   4   8.476  -2.091  -4.594
   29    H    ALA   5           H        ALA   5   3.263  -3.288   2.313
   30    HA   ALA   5           HA       ALA   5   1.564  -1.085   1.224
   31    HB1  ALA   5           HB1      ALA   5   0.861  -4.023   1.522
   32    HB2  ALA   5           HB2      ALA   5  -0.251  -2.739   0.989
   33    HB3  ALA   5           HB3      ALA   5   1.166  -3.159  -0.004
   34    H    VAL   6           H        VAL   6   1.624   0.128   3.108
   35    HA   VAL   6           HA       VAL   6   1.287  -0.782   5.731
   36    HB   VAL   6           HB       VAL   6   0.201   1.787   4.525
   37   HG11  VAL   6          HG11      VAL   6  -0.787   1.255   6.719
   38   HG12  VAL   6          HG12      VAL   6   0.846   1.092   7.409
   39   HG13  VAL   6          HG13      VAL   6   0.289   2.671   6.804
   40   HG21  VAL   6          HG21      VAL   6   2.613   1.468   4.144
   41   HG22  VAL   6          HG22      VAL   6   2.293   2.796   5.285
   42   HG23  VAL   6          HG23      VAL   6   2.851   1.218   5.890
   43    H    GLY   7           H        GLY   7  -1.223   0.057   3.330
   44    HA2  GLY   7           HA3      GLY   7  -3.108  -1.609   4.898
   45    HA3  GLY   7           HA2      GLY   7  -3.556   0.077   4.576
   46    H    HIS   8           H        HIS   8  -4.317   0.675   2.599
   47    HA   HIS   8           HA       HIS   8  -4.838  -1.582   0.725
   48    HB2  HIS   8           HB2      HIS   8  -6.135   1.158   0.783
   49    HB3  HIS   8           HB3      HIS   8  -6.665  -0.263  -0.135
   50    HD2  HIS   8           HD2      HIS   8  -7.747   1.504   2.904
   51    HE1  HIS   8           HE1      HIS   8  -8.506  -2.575   3.780
   52    HE2  HIS   8           HE2      HIS   8  -8.983  -0.179   4.494
   53    H    LEU   9           H        LEU   9  -2.259  -0.214   0.882
   54    HA   LEU   9           HA       LEU   9  -2.221   1.366  -1.631
   55    HB2  LEU   9           HB2      LEU   9  -0.013   0.792   0.359
   56    HB3  LEU   9           HB3      LEU   9   0.088   1.899  -1.015
   57    HG   LEU   9           HG       LEU   9  -1.904   2.281   1.223
   58   HD11  LEU   9          HD11      LEU   9   0.361   2.189   2.191
   59   HD12  LEU   9          HD12      LEU   9   0.902   3.426   1.031
   60   HD13  LEU   9          HD13      LEU   9  -0.321   3.832   2.260
   61   HD21  LEU   9          HD21      LEU   9  -2.296   3.498  -0.885
   62   HD22  LEU   9          HD22      LEU   9  -0.663   4.197  -0.779
   63   HD23  LEU   9          HD23      LEU   9  -1.885   4.602   0.450
   64    H    MET  10           H        MET  10  -2.008   0.279  -3.455
   65    HA   MET  10           HA       MET  10  -1.098  -2.420  -3.624
   66    HB2  MET  10           HB2      MET  10  -2.550  -1.104  -5.269
   67    HB3  MET  10           HB3      MET  10  -1.040  -0.419  -5.893
   68    HG2  MET  10           HG2      MET  10  -1.478  -2.209  -7.320
   69    HG3  MET  10           HG3      MET  10  -0.278  -2.862  -6.188
   70    HE1  MET  10           HE1      MET  10  -2.954  -5.736  -7.219
   71    HE2  MET  10           HE2      MET  10  -2.618  -4.290  -8.200
   72    HE3  MET  10           HE3      MET  10  -1.276  -5.190  -7.454
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   8.608   4.032  -3.087
    2    H2   GLY   1           H2       GLY   1   9.932   4.222  -2.123
    3    H3   GLY   1           H3       GLY   1   9.464   2.712  -2.592
    4    HA2  GLY   1           HA2      GLY   1   7.841   4.497  -0.958
    5    HA3  GLY   1           HA3      GLY   1   7.510   2.797  -1.340
    6    H    ASN   2           H        ASN   2   7.568   3.743   1.273
    7    HA   ASN   2           HA       ASN   2  10.204   2.904   2.347
    8    HB2  ASN   2           HB2      ASN   2   7.772   4.147   3.672
    9    HB3  ASN   2           HB3      ASN   2   9.255   3.683   4.529
   10   HD21  ASN   2          HD21      ASN   2  11.300   4.507   3.036
   11   HD22  ASN   2          HD22      ASN   2  11.239   6.231   2.745
   12    H    HIS   3           H        HIS   3   6.860   2.402   3.516
   13    HA   HIS   3           HA       HIS   3   7.553  -0.179   4.631
   14    HB2  HIS   3           HB2      HIS   3   5.204  -0.329   5.229
   15    HB3  HIS   3           HB3      HIS   3   5.836   1.278   5.628
   16    HD2  HIS   3           HD2      HIS   3   3.390  -0.405   3.046
   17    HE1  HIS   3           HE1      HIS   3   2.804   3.797   2.966
   18    HE2  HIS   3           HE2      HIS   3   1.932   1.565   2.101
   19    H    TRP   4           H        TRP   4   6.021  -2.093   4.152
   20    HA   TRP   4           HA       TRP   4   6.371  -2.703   1.303
   21    HB2  TRP   4           HB3      TRP   4   6.169  -4.185   3.780
   22    HB3  TRP   4           HB2      TRP   4   5.010  -4.814   2.594
   23    HD1  TRP   4           HD1      TRP   4   8.371  -5.513   3.665
   24    HE1  TRP   4           HE1      TRP   4   9.804  -6.623   1.828
   25    HE3  TRP   4           HE3      TRP   4   5.418  -4.432  -0.363
   26    HZ2  TRP   4           HZ2      TRP   4   9.666  -6.975  -0.959
   27    HZ3  TRP   4           HZ3      TRP   4   6.137  -5.190  -2.592
   28    HH2  TRP   4           HH2      TRP   4   8.232  -6.447  -2.884
   29    H    ALA   5           H        ALA   5   3.629  -3.379   3.505
   30    HA   ALA   5           HA       ALA   5   1.776  -2.018   1.683
   31    HB1  ALA   5           HB1      ALA   5   0.383  -4.019   1.305
   32    HB2  ALA   5           HB2      ALA   5   2.003  -4.193   0.590
   33    HB3  ALA   5           HB3      ALA   5   1.611  -5.019   2.117
   34    H    VAL   6           H        VAL   6   0.905  -0.754   3.205
   35    HA   VAL   6           HA       VAL   6   0.260  -1.808   5.855
   36    HB   VAL   6           HB       VAL   6   1.027   0.491   5.666
   37   HG11  VAL   6          HG11      VAL   6   0.202   0.942   3.388
   38   HG12  VAL   6          HG12      VAL   6  -1.466   0.984   4.007
   39   HG13  VAL   6          HG13      VAL   6  -0.291   2.213   4.533
   40   HG21  VAL   6          HG21      VAL   6  -0.556  -0.079   7.466
   41   HG22  VAL   6          HG22      VAL   6  -0.737   1.610   6.937
   42   HG23  VAL   6          HG23      VAL   6  -1.914   0.383   6.411
   43    H    GLY   7           H        GLY   7  -1.370  -1.304   2.811
   44    HA2  GLY   7           HA3      GLY   7  -3.405  -2.643   2.468
   45    HA3  GLY   7           HA2      GLY   7  -3.880  -2.242   4.130
   46    H    HIS   8           H        HIS   8  -2.443   0.211   2.117
   47    HA   HIS   8           HA       HIS   8  -5.152   1.430   1.770
   48    HB2  HIS   8           HB2      HIS   8  -3.597   2.502   3.493
   49    HB3  HIS   8           HB3      HIS   8  -2.578   2.983   2.125
   50    HD2  HIS   8           HD2      HIS   8  -3.234   5.407   1.138
   51    HE1  HIS   8           HE1      HIS   8  -7.231   5.576   2.546
   52    HE2  HIS   8           HE2      HIS   8  -5.413   6.861   1.312
   53    H    LEU   9           H        LEU   9  -3.745  -0.313  -0.080
   54    HA   LEU   9           HA       LEU   9  -2.797   1.531  -2.191
   55    HB2  LEU   9           HB3      LEU   9  -2.709  -1.421  -1.714
   56    HB3  LEU   9           HB2      LEU   9  -2.662  -0.840  -3.382
   57    HG   LEU   9           HG       LEU   9  -0.429  -1.293  -2.420
   58   HD11  LEU   9          HD11      LEU   9  -0.738   0.304  -4.271
   59   HD12  LEU   9          HD12      LEU   9  -0.947   1.621  -3.094
   60   HD13  LEU   9          HD13      LEU   9   0.613   0.774  -3.213
   61   HD21  LEU   9          HD21      LEU   9   0.507   0.056  -0.696
   62   HD22  LEU   9          HD22      LEU   9  -1.074  -0.500  -0.098
   63   HD23  LEU   9          HD23      LEU   9  -0.888   1.162  -0.707
   64    H    MET  10           H        MET  10  -3.637   1.402  -4.364
   65    HA   MET  10           HA       MET  10  -6.283   0.192  -4.737
   66    HB2  MET  10           HB2      MET  10  -7.448   2.240  -5.241
   67    HB3  MET  10           HB3      MET  10  -6.793   2.339  -3.597
   68    HG2  MET  10           HG3      MET  10  -4.772   3.520  -4.827
   69    HG3  MET  10           HG2      MET  10  -5.995   3.818  -6.076
   70    HE1  MET  10           HE1      MET  10  -7.598   6.935  -4.955
   71    HE2  MET  10           HE2      MET  10  -7.948   5.464  -5.894
   72    HE3  MET  10           HE3      MET  10  -6.386   6.296  -6.092
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  12.982  -1.321   9.124
    2    H2   GLY   1           H2       GLY   1  12.655  -2.757   8.383
    3    H3   GLY   1           H3       GLY   1  11.448  -1.925   9.139
    4    HA2  GLY   1           HA3      GLY   1  11.633  -0.139   7.598
    5    HA3  GLY   1           HA2      GLY   1  12.927  -1.041   6.787
    6    H    ASN   2           H        ASN   2   9.646  -1.789   8.033
    7    HA   ASN   2           HA       ASN   2   9.109  -3.109   5.406
    8    HB2  ASN   2           HB3      ASN   2   7.869  -3.680   8.122
    9    HB3  ASN   2           HB2      ASN   2   7.478  -4.506   6.601
   10   HD21  ASN   2          HD21      ASN   2   9.199  -5.728   5.520
   11   HD22  ASN   2          HD22      ASN   2  10.447  -6.473   6.494
   12    H    HIS   3           H        HIS   3   8.221  -1.449   4.264
   13    HA   HIS   3           HA       HIS   3   5.608  -0.464   5.302
   14    HB2  HIS   3           HB2      HIS   3   7.825   1.190   4.065
   15    HB3  HIS   3           HB3      HIS   3   6.151   1.755   4.204
   16    HD2  HIS   3           HD2      HIS   3   5.350   2.517   6.766
   17    HE1  HIS   3           HE1      HIS   3   9.141   1.958   8.589
   18    HE2  HIS   3           HE2      HIS   3   6.798   2.905   8.922
   19    H    TRP   4           H        TRP   4   6.335  -2.603   3.431
   20    HA   TRP   4           HA       TRP   4   6.070  -1.845   0.728
   21    HB2  TRP   4           HB3      TRP   4   5.798  -4.292   2.314
   22    HB3  TRP   4           HB2      TRP   4   4.702  -4.254   0.922
   23    HD1  TRP   4           HD1      TRP   4   8.042  -5.410   1.728
   24    HE1  TRP   4           HE1      TRP   4   9.540  -5.642  -0.362
   25    HE3  TRP   4           HE3      TRP   4   5.205  -2.700  -1.547
   26    HZ2  TRP   4           HZ2      TRP   4   9.488  -4.772  -3.037
   27    HZ3  TRP   4           HZ3      TRP   4   5.997  -2.443  -3.863
   28    HH2  TRP   4           HH2      TRP   4   8.111  -3.467  -4.598
   29    H    ALA   5           H        ALA   5   3.436  -3.310   2.668
   30    HA   ALA   5           HA       ALA   5   1.552  -1.489   1.229
   31    HB1  ALA   5           HB1      ALA   5  -0.118  -3.301   1.324
   32    HB2  ALA   5           HB2      ALA   5   1.327  -3.778   0.402
   33    HB3  ALA   5           HB3      ALA   5   1.096  -4.372   2.063
   34    H    VAL   6           H        VAL   6   1.510   0.046   2.860
   35    HA   VAL   6           HA       VAL   6   1.269  -0.398   5.611
   36    HB   VAL   6           HB       VAL   6   1.626   1.829   4.702
   37   HG11  VAL   6          HG11      VAL   6   0.172   2.981   3.329
   38   HG12  VAL   6          HG12      VAL   6  -0.086   1.311   2.771
   39   HG13  VAL   6          HG13      VAL   6  -1.251   2.068   3.885
   40   HG21  VAL   6          HG21      VAL   6   0.027   3.094   6.087
   41   HG22  VAL   6          HG22      VAL   6  -0.985   1.638   6.237
   42   HG23  VAL   6          HG23      VAL   6   0.651   1.660   6.936
   43    H    GLY   7           H        GLY   7  -1.227  -0.497   3.100
   44    HA2  GLY   7           HA2      GLY   7  -2.912  -2.178   4.666
   45    HA3  GLY   7           HA3      GLY   7  -3.499  -0.508   4.783
   46    H    HIS   8           H        HIS   8  -3.758   0.641   2.633
   47    HA   HIS   8           HA       HIS   8  -4.591  -1.272   0.501
   48    HB2  HIS   8           HB2      HIS   8  -6.599   0.185   0.116
   49    HB3  HIS   8           HB3      HIS   8  -6.635  -0.757   1.617
   50    HD2  HIS   8           HD2      HIS   8  -6.106   0.822   3.987
   51    HE1  HIS   8           HE1      HIS   8  -7.111   4.471   2.070
   52    HE2  HIS   8           HE2      HIS   8  -6.679   3.361   4.324
   53    H    LEU   9           H        LEU   9  -2.356  -0.429  -0.126
   54    HA   LEU   9           HA       LEU   9  -1.974   2.260  -0.952
   55    HB2  LEU   9           HB2      LEU   9  -0.164   1.380  -2.343
   56    HB3  LEU   9           HB3      LEU   9  -0.122   0.718  -0.705
   57    HG   LEU   9           HG       LEU   9  -1.477  -1.257  -1.881
   58   HD11  LEU   9          HD11      LEU   9  -1.543  -0.139  -4.076
   59   HD12  LEU   9          HD12      LEU   9  -0.644  -1.673  -4.143
   60   HD13  LEU   9          HD13      LEU   9   0.236  -0.127  -4.118
   61   HD21  LEU   9          HD21      LEU   9   0.653  -1.444  -0.655
   62   HD22  LEU   9          HD22      LEU   9   0.649  -2.442  -2.129
   63   HD23  LEU   9          HD23      LEU   9   1.529  -0.895  -2.104
   64    H    MET  10           H        MET  10  -3.604  -0.451  -2.470
   65    HA   MET  10           HA       MET  10  -3.647   0.394  -5.151
   66    HB2  MET  10           HB2      MET  10  -5.661  -0.933  -5.392
   67    HB3  MET  10           HB3      MET  10  -4.503  -1.780  -4.351
   68    HG2  MET  10           HG3      MET  10  -5.838  -0.666  -2.403
   69    HG3  MET  10           HG2      MET  10  -7.097  -0.442  -3.632
   70    HE1  MET  10           HE1      MET  10  -8.960  -3.615  -3.563
   71    HE2  MET  10           HE2      MET  10  -8.510  -2.316  -4.693
   72    HE3  MET  10           HE3      MET  10  -9.021  -1.916  -3.036
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1   9.841   4.559   8.434
    2    H2   GLY   1           H2       GLY   1   9.393   2.991   8.183
    3    H3   GLY   1           H3       GLY   1  10.730   3.597   7.431
    4    HA2  GLY   1           HA2      GLY   1   7.929   4.085   6.894
    5    HA3  GLY   1           HA3      GLY   1   9.155   5.282   6.433
    6    H    ASN   2           H        ASN   2   9.126   1.699   6.410
    7    HA   ASN   2           HA       ASN   2   9.484   1.817   3.453
    8    HB2  ASN   2           HB2      ASN   2  11.133   0.180   5.408
    9    HB3  ASN   2           HB3      ASN   2  11.167  -0.019   3.645
   10   HD21  ASN   2          HD21      ASN   2  12.016   2.052   6.369
   11   HD22  ASN   2          HD22      ASN   2  13.114   3.095   5.494
   12    H    HIS   3           H        HIS   3   7.118   1.292   4.999
   13    HA   HIS   3           HA       HIS   3   6.729  -1.601   5.046
   14    HB2  HIS   3           HB3      HIS   3   4.981   0.804   5.528
   15    HB3  HIS   3           HB2      HIS   3   4.269  -0.807   5.340
   16    HD2  HIS   3           HD2      HIS   3   6.971  -2.123   7.113
   17    HE1  HIS   3           HE1      HIS   3   4.946  -0.089  10.235
   18    HE2  HIS   3           HE2      HIS   3   6.693  -1.865   9.710
   19    H    TRP   4           H        TRP   4   6.313  -2.820   3.350
   20    HA   TRP   4           HA       TRP   4   6.010  -1.905   0.722
   21    HB2  TRP   4           HB2      TRP   4   5.742  -4.432   2.150
   22    HB3  TRP   4           HB3      TRP   4   4.594  -4.317   0.804
   23    HD1  TRP   4           HD1      TRP   4   7.925  -5.574   1.421
   24    HE1  TRP   4           HE1      TRP   4   9.365  -5.683  -0.719
   25    HE3  TRP   4           HE3      TRP   4   5.078  -2.567  -1.574
   26    HZ2  TRP   4           HZ2      TRP   4   9.276  -4.617  -3.317
   27    HZ3  TRP   4           HZ3      TRP   4   5.822  -2.156  -3.886
   28    HH2  TRP   4           HH2      TRP   4   7.894  -3.170  -4.744
   29    H    ALA   5           H        ALA   5   3.343  -3.481   2.524
   30    HA   ALA   5           HA       ALA   5   1.494  -1.530   1.218
   31    HB1  ALA   5           HB1      ALA   5   0.638  -4.311   1.994
   32    HB2  ALA   5           HB2      ALA   5  -0.069  -3.203   0.794
   33    HB3  ALA   5           HB3      ALA   5   1.474  -4.020   0.450
   34    H    VAL   6           H        VAL   6   1.474  -0.120   2.961
   35    HA   VAL   6           HA       VAL   6   1.195  -0.763   5.670
   36    HB   VAL   6           HB       VAL   6   1.608   1.517   4.933
   37   HG11  VAL   6          HG11      VAL   6   0.193   2.798   3.636
   38   HG12  VAL   6          HG12      VAL   6  -0.104   1.179   2.957
   39   HG13  VAL   6          HG13      VAL   6  -1.256   1.883   4.117
   40   HG21  VAL   6          HG21      VAL   6   0.575   1.161   7.141
   41   HG22  VAL   6          HG22      VAL   6  -1.039   1.312   6.405
   42   HG23  VAL   6          HG23      VAL   6   0.068   2.706   6.416
   43    H    GLY   7           H        GLY   7  -1.292  -0.577   3.146
   44    HA2  GLY   7           HA2      GLY   7  -3.020  -2.432   4.234
   45    HA3  GLY   7           HA3      GLY   7  -3.478  -0.913   5.030
   46    H    HIS   8           H        HIS   8  -2.639   0.612   2.567
   47    HA   HIS   8           HA       HIS   8  -5.230   0.348   1.194
   48    HB2  HIS   8           HB3      HIS   8  -4.495   2.397  -0.007
   49    HB3  HIS   8           HB2      HIS   8  -4.520   2.570   1.755
   50    HD2  HIS   8           HD2      HIS   8  -1.364   0.782   0.519
   51    HE1  HIS   8           HE1      HIS   8  -0.335   4.852   1.134
   52    HE2  HIS   8           HE2      HIS   8   0.595   2.523   0.676
   53    H    LEU   9           H        LEU   9  -3.996  -1.929   0.676
   54    HA   LEU   9           HA       LEU   9  -2.694  -1.588  -1.988
   55    HB2  LEU   9           HB2      LEU   9  -1.504  -2.847  -0.151
   56    HB3  LEU   9           HB3      LEU   9  -2.774  -4.072  -0.256
   57    HG   LEU   9           HG       LEU   9  -2.062  -4.097  -2.808
   58   HD11  LEU   9          HD11      LEU   9  -0.461  -2.237  -2.584
   59   HD12  LEU   9          HD12      LEU   9   0.473  -3.190  -1.406
   60   HD13  LEU   9          HD13      LEU   9   0.341  -3.742  -3.093
   61   HD21  LEU   9          HD21      LEU   9  -1.977  -5.995  -1.236
   62   HD22  LEU   9          HD22      LEU   9  -0.419  -5.403  -0.613
   63   HD23  LEU   9          HD23      LEU   9  -0.551  -5.954  -2.300
   64    H    MET  10           H        MET  10  -4.585  -1.267  -3.186
   65    HA   MET  10           HA       MET  10  -6.670  -3.345  -3.098
   66    HB2  MET  10           HB3      MET  10  -6.322  -0.702  -4.491
   67    HB3  MET  10           HB2      MET  10  -7.503  -1.871  -5.109
   68    HG2  MET  10           HG2      MET  10  -8.779  -0.560  -3.694
   69    HG3  MET  10           HG3      MET  10  -8.377  -1.954  -2.674
   70    HE1  MET  10           HE1      MET  10  -7.701   2.360  -1.720
   71    HE2  MET  10           HE2      MET  10  -9.126   1.461  -2.295
   72    HE3  MET  10           HE3      MET  10  -7.797   1.836  -3.419
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  13.127   1.830   8.230
    2    H2   GLY   1           H2       GLY   1  11.710   1.059   7.888
    3    H3   GLY   1           H3       GLY   1  11.688   2.573   8.542
    4    HA2  GLY   1           HA2      GLY   1  12.698   3.491   6.616
    5    HA3  GLY   1           HA3      GLY   1  12.728   1.865   5.908
    6    H    ASN   2           H        ASN   2  11.000   1.152   4.803
    7    HA   ASN   2           HA       ASN   2   8.435   2.630   5.127
    8    HB2  ASN   2           HB2      ASN   2   8.150   2.811   2.731
    9    HB3  ASN   2           HB3      ASN   2   9.670   3.597   3.201
   10   HD21  ASN   2          HD21      ASN   2   8.160   1.054   1.374
   11   HD22  ASN   2          HD22      ASN   2   9.611   0.422   0.630
   12    H    HIS   3           H        HIS   3   6.709   1.353   5.223
   13    HA   HIS   3           HA       HIS   3   7.069  -1.527   5.122
   14    HB2  HIS   3           HB2      HIS   3   5.490  -0.117   6.623
   15    HB3  HIS   3           HB3      HIS   3   4.400  -0.121   5.225
   16    HD2  HIS   3           HD2      HIS   3   2.648  -2.162   5.381
   17    HE1  HIS   3           HE1      HIS   3   5.060  -4.884   7.564
   18    HE2  HIS   3           HE2      HIS   3   2.775  -4.534   6.497
   19    H    TRP   4           H        TRP   4   6.484  -2.967   3.597
   20    HA   TRP   4           HA       TRP   4   6.304  -2.172   0.895
   21    HB2  TRP   4           HB3      TRP   4   6.052  -4.663   2.430
   22    HB3  TRP   4           HB2      TRP   4   5.060  -4.642   0.961
   23    HD1  TRP   4           HD1      TRP   4   8.385  -5.662   1.992
   24    HE1  TRP   4           HE1      TRP   4  10.039  -5.778   0.012
   25    HE3  TRP   4           HE3      TRP   4   5.666  -3.016  -1.433
   26    HZ2  TRP   4           HZ2      TRP   4  10.141  -4.856  -2.643
   27    HZ3  TRP   4           HZ3      TRP   4   6.612  -2.673  -3.681
   28    HH2  TRP   4           HH2      TRP   4   8.819  -3.582  -4.277
   29    H    ALA   5           H        ALA   5   3.668  -3.663   2.825
   30    HA   ALA   5           HA       ALA   5   1.754  -2.093   1.152
   31    HB1  ALA   5           HB1      ALA   5   0.130  -3.905   1.545
   32    HB2  ALA   5           HB2      ALA   5   1.593  -4.493   0.720
   33    HB3  ALA   5           HB3      ALA   5   1.365  -4.806   2.457
   34    H    VAL   6           H        VAL   6   1.751  -0.311   2.547
   35    HA   VAL   6           HA       VAL   6   1.448  -0.335   5.327
   36    HB   VAL   6           HB       VAL   6   0.204   1.618   3.359
   37   HG11  VAL   6          HG11      VAL   6  -0.774   1.767   5.615
   38   HG12  VAL   6          HG12      VAL   6   0.201   3.202   5.221
   39   HG13  VAL   6          HG13      VAL   6   0.857   1.951   6.304
   40   HG21  VAL   6          HG21      VAL   6   2.636   1.356   3.077
   41   HG22  VAL   6          HG22      VAL   6   2.869   1.709   4.806
   42   HG23  VAL   6          HG23      VAL   6   2.213   2.960   3.723
   43    H    GLY   7           H        GLY   7  -1.167  -0.204   2.867
   44    HA2  GLY   7           HA3      GLY   7  -2.872  -1.900   4.456
   45    HA3  GLY   7           HA2      GLY   7  -3.344  -0.197   4.613
   46    H    HIS   8           H        HIS   8  -4.585   0.713   3.093
   47    HA   HIS   8           HA       HIS   8  -5.281  -1.000   0.759
   48    HB2  HIS   8           HB2      HIS   8  -7.051  -0.168   2.388
   49    HB3  HIS   8           HB3      HIS   8  -6.751   1.459   1.751
   50    HD2  HIS   8           HD2      HIS   8  -8.601   2.042  -0.111
   51    HE1  HIS   8           HE1      HIS   8  -9.103  -1.850  -1.728
   52    HE2  HIS   8           HE2      HIS   8  -9.855   0.579  -1.896
   53    H    LEU   9           H        LEU   9  -3.426  -0.467  -0.478
   54    HA   LEU   9           HA       LEU   9  -3.543   2.301  -1.607
   55    HB2  LEU   9           HB2      LEU   9  -1.137   2.111  -2.048
   56    HB3  LEU   9           HB3      LEU   9  -1.513   2.046  -0.323
   57    HG   LEU   9           HG       LEU   9  -1.179  -0.522  -1.825
   58   HD11  LEU   9          HD11      LEU   9   0.723   0.868  -2.548
   59   HD12  LEU   9          HD12      LEU   9   1.125   1.194  -0.845
   60   HD13  LEU   9          HD13      LEU   9   1.243  -0.462  -1.486
   61   HD21  LEU   9          HD21      LEU   9  -1.890  -0.511   0.534
   62   HD22  LEU   9          HD22      LEU   9  -0.296  -1.275   0.328
   63   HD23  LEU   9          HD23      LEU   9  -0.413   0.381   0.970
   64    H    MET  10           H        MET  10  -4.998  -0.090  -2.463
   65    HA   MET  10           HA       MET  10  -3.699  -0.515  -5.122
   66    HB2  MET  10           HB2      MET  10  -5.344  -2.274  -3.343
   67    HB3  MET  10           HB3      MET  10  -5.495  -2.479  -5.096
   68    HG2  MET  10           HG2      MET  10  -2.839  -2.503  -3.651
   69    HG3  MET  10           HG3      MET  10  -3.807  -3.965  -3.915
   70    HE1  MET  10           HE1      MET  10  -2.438  -5.189  -7.107
   71    HE2  MET  10           HE2      MET  10  -2.245  -5.370  -5.347
   72    HE3  MET  10           HE3      MET  10  -3.874  -5.302  -6.061
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   8.439   4.008   9.442
    2    H2   GLY   1           H2       GLY   1   9.731   3.330   8.675
    3    H3   GLY   1           H3       GLY   1   8.357   2.448   8.912
    4    HA2  GLY   1           HA3      GLY   1   7.119   3.861   7.485
    5    HA3  GLY   1           HA2      GLY   1   8.583   4.835   7.250
    6    H    ASN   2           H        ASN   2   7.714   4.172   4.969
    7    HA   ASN   2           HA       ASN   2   8.100   3.001   3.021
    8    HB2  ASN   2           HB2      ASN   2  10.595   2.395   4.612
    9    HB3  ASN   2           HB3      ASN   2  10.358   1.736   2.982
   10   HD21  ASN   2          HD21      ASN   2  12.030   2.883   2.019
   11   HD22  ASN   2          HD22      ASN   2  11.983   4.618   1.798
   12    H    HIS   3           H        HIS   3   6.323   1.771   4.753
   13    HA   HIS   3           HA       HIS   3   7.003  -1.023   5.130
   14    HB2  HIS   3           HB3      HIS   3   5.304   0.328   6.456
   15    HB3  HIS   3           HB2      HIS   3   4.235   0.197   5.049
   16    HD2  HIS   3           HD2      HIS   3   6.326  -2.702   6.782
   17    HE1  HIS   3           HE1      HIS   3   2.226  -3.777   6.631
   18    HE2  HIS   3           HE2      HIS   3   4.555  -4.569   7.298
   19    H    TRP   4           H        TRP   4   6.688  -2.732   3.844
   20    HA   TRP   4           HA       TRP   4   6.432  -2.453   1.065
   21    HB2  TRP   4           HB2      TRP   4   6.473  -4.631   3.002
   22    HB3  TRP   4           HB3      TRP   4   5.418  -4.998   1.625
   23    HD1  TRP   4           HD1      TRP   4   8.872  -5.464   2.620
   24    HE1  TRP   4           HE1      TRP   4  10.451  -5.788   0.605
   25    HE3  TRP   4           HE3      TRP   4   5.754  -3.795  -1.069
   26    HZ2  TRP   4           HZ2      TRP   4  10.352  -5.380  -2.175
   27    HZ3  TRP   4           HZ3      TRP   4   6.569  -3.791  -3.393
   28    HH2  TRP   4           HH2      TRP   4   8.839  -4.573  -3.936
   29    H    ALA   5           H        ALA   5   3.916  -3.692   3.310
   30    HA   ALA   5           HA       ALA   5   1.892  -2.782   1.309
   31    HB1  ALA   5           HB1      ALA   5   0.421  -4.552   2.197
   32    HB2  ALA   5           HB2      ALA   5   1.935  -5.216   1.537
   33    HB3  ALA   5           HB3      ALA   5   1.721  -5.070   3.298
   34    H    VAL   6           H        VAL   6   1.737  -0.699   2.178
   35    HA   VAL   6           HA       VAL   6   1.410  -0.004   4.868
   36    HB   VAL   6           HB       VAL   6   0.033   1.248   2.466
   37   HG11  VAL   6          HG11      VAL   6  -0.976   1.914   4.612
   38   HG12  VAL   6          HG12      VAL   6   0.628   2.406   5.207
   39   HG13  VAL   6          HG13      VAL   6  -0.116   3.266   3.838
   40   HG21  VAL   6          HG21      VAL   6   2.481   1.116   2.235
   41   HG22  VAL   6          HG22      VAL   6   1.924   2.795   2.434
   42   HG23  VAL   6          HG23      VAL   6   2.668   1.936   3.804
   43    H    GLY   7           H        GLY   7  -1.209  -0.663   2.496
   44    HA2  GLY   7           HA2      GLY   7  -2.798  -2.281   4.048
   45    HA3  GLY   7           HA3      GLY   7  -3.210  -0.651   4.614
   46    H    HIS   8           H        HIS   8  -4.172   0.842   3.154
   47    HA   HIS   8           HA       HIS   8  -5.226  -0.393   0.651
   48    HB2  HIS   8           HB3      HIS   8  -7.399   0.786   1.131
   49    HB3  HIS   8           HB2      HIS   8  -7.031  -0.592   2.181
   50    HD2  HIS   8           HD2      HIS   8  -6.350   3.317   2.539
   51    HE1  HIS   8           HE1      HIS   8  -7.741   1.738   6.223
   52    HE2  HIS   8           HE2      HIS   8  -6.975   3.856   5.031
   53    H    LEU   9           H        LEU   9  -3.006   1.272   0.755
   54    HA   LEU   9           HA       LEU   9  -3.961   3.987   0.080
   55    HB2  LEU   9           HB2      LEU   9  -1.821   3.284   1.440
   56    HB3  LEU   9           HB3      LEU   9  -1.106   3.088  -0.165
   57    HG   LEU   9           HG       LEU   9  -2.494   5.657   0.507
   58   HD11  LEU   9          HD11      LEU   9  -1.049   5.195   2.449
   59   HD12  LEU   9          HD12      LEU   9   0.335   4.960   1.355
   60   HD13  LEU   9          HD13      LEU   9  -0.439   6.558   1.479
   61   HD21  LEU   9          HD21      LEU   9  -1.669   5.223  -1.775
   62   HD22  LEU   9          HD22      LEU   9  -0.803   6.574  -1.005
   63   HD23  LEU   9          HD23      LEU   9  -0.028   4.977  -1.129
   64    H    MET  10           H        MET  10  -1.977   1.414  -1.439
   65    HA   MET  10           HA       MET  10  -1.994   2.674  -4.029
   66    HB2  MET  10           HB2      MET  10  -0.429   0.829  -2.996
   67    HB3  MET  10           HB3      MET  10  -1.629  -0.288  -3.668
   68    HG2  MET  10           HG2      MET  10  -0.503   1.866  -5.419
   69    HG3  MET  10           HG3      MET  10   0.498   0.448  -5.049
   70    HE1  MET  10           HE1      MET  10  -1.437   0.374  -8.735
   71    HE2  MET  10           HE2      MET  10   0.108   0.844  -7.987
   72    HE3  MET  10           HE3      MET  10  -1.340   1.850  -7.745