*HEADER    HORMONE/GROWTH FACTOR                   01-AUG-99   1C9A              
*TITLE     SOLUTION STRUCTURE OF NEUROMEDIN B                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROMEDIN B;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    NEUROMEDIN B, NMR, PEPTIDE                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.LEE, Y.KIM                                                          
*REVDAT   1   11-NOV-99 1C9A    0                                                

!
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 2.5 0.7 0.2
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.5 0.7 0.2
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.5 0.7 0.2
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.5 0.7 0.2
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.5 0.7 0.2
assign (resid   10 and  name HN   )(resid   10 and  name H1   ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid   10 and  name H2   ) 3.0 1.2 0.5
!
assign (resid    2 and  name HN   )(resid    1 and  name HA#  ) 2.5 0.7 1.2
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.5 0.7 0.2
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5
assign (resid    6 and  name HN   )(resid    7 and  name HA#  ) 4.0 2.2 2.0
assign (resid    8 and  name HN   )(resid    7 and  name HA#  ) 2.5 0.7 1.2
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.5
assign (resid   10 and  name H1   )(resid   10 and  name HA   ) 3.0 1.2 0.5
assign (resid   10 and  name H2   )(resid   10 and  name HA   ) 3.0 1.2 0.5
!
assign (resid    3 and  name HN   )(resid    1 and  name HA#  ) 4.0 2.2 2.0
assign (resid    4 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5
assign (resid    6 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5
assign (resid    9 and  name HN   )(resid    7 and  name HA#  ) 4.0 2.2 2.0
assign (resid   10 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name H2   )(resid    9 and  name HA   ) 4.0 2.2 1.0
!
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid    7 and  name HA#  ) 3.0 1.2 1.5
!
assign (resid    4 and  name HN   )(resid    2 and  name HB#  ) 3.0 1.2 1.5
assign (resid    4 and  name HD1  )(resid    2 and  name HA   ) 3.0 1.2 0.5
assign (resid    4 and  name HD1  )(resid    2 and  name HB#  ) 3.0 1.2 1.5
assign (resid    6 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid    6 and  name HN   )(resid    4 and  name HB2  ) 4.0 2.2 1.0
assign (resid    7 and  name HN   )(resid    5 and  name HB#  ) 4.0 2.2 2.5
assign (resid    8 and  name HN   )(resid    6 and  name HB   ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    6 and  name HG2# ) 4.0 2.2 2.5
assign (resid    8 and  name HD2  )(resid    6 and  name HA   ) 4.0 2.2 1.0
assign (resid    8 and  name HD2  )(resid    6 and  name HB   ) 4.0 2.2 1.0
!
assign (resid    5 and  name HB#  )(resid    2 and  name HN   ) 4.0 2.2 2.5
assign (resid    5 and  name HB#  )(resid    2 and  name HD21 ) 3.0 1.2 2.0
assign (resid    5 and  name HB#  )(resid    2 and  name HD22 ) 4.0 2.2 2.5
assign (resid    6 and  name HG2# )(resid    3 and  name HD2# ) 4.0 2.2 4.0
assign (resid    9 and  name HD#  )(resid    6 and  name HA   ) 4.0 2.2 3.0
!
assign (resid    3 and  name HN   )(resid    2 and  name HB#  ) 3.0 1.2 1.5
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 3.0 1.2 1.5
assign (resid    4 and  name HN   )(resid    3 and  name HG   ) 3.0 1.2 0.5
assign (resid    4 and  name HD1  )(resid    3 and  name HN   ) 3.0 1.2 0.5
assign (resid    4 and  name HD1  )(resid    3 and  name HG   ) 4.0 2.2 1.0
assign (resid    4 and  name HD1  )(resid    5 and  name HA   ) 2.5 0.7 0.2
assign (resid    4 and  name HD1  )(resid    5 and  name HB#  ) 3.0 1.2 2.0
assign (resid    6 and  name HN   )(resid    5 and  name HB#  ) 2.5 0.7 1.7
assign (resid    7 and  name HN   )(resid    6 and  name HB   ) 2.5 0.7 0.2
assign (resid    7 and  name HN   )(resid    6 and  name HG2# ) 3.0 1.2 2.0
assign (resid    8 and  name HD2  )(resid    7 and  name HA#  ) 4.0 2.2 2.0
assign (resid    9 and  name HN   )(resid    8 and  name HB2  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HB1  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HB2  ) 3.0 1.2 0.5
assign (resid   10 and  name HA   )(resid    9 and  name HB1  ) 4.0 2.2 1.0
assign (resid   10 and  name HA   )(resid    9 and  name HB2  ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid    9 and  name HD#  ) 3.0 1.2 2.5
assign (resid   10 and  name H2   )(resid   10 and  name HB1  ) 4.0 2.2 1.0
assign (resid   10 and  name H2   )(resid   10 and  name HB2  ) 4.0 2.2 1.0
!
assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 2.5 0.7 1.2
assign (resid    2 and  name HD21 )(resid    2 and  name HB#  ) 2.5 0.7 1.2
assign (resid    2 and  name HD22 )(resid    2 and  name HB#  ) 2.5 0.7 1.2
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 2.5 0.7 1.2
assign (resid    3 and  name HN   )(resid    3 and  name HG   ) 3.0 1.2 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HD1# ) 4.0 2.2 2.0
assign (resid    3 and  name HN   )(resid    3 and  name HD2# ) 4.0 2.2 2.0
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 2.5 0.7 0.2
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HD1  ) 2.5 0.7 0.2
assign (resid    4 and  name HD1  )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    4 and  name HD1  )(resid    4 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HD1  )(resid    4 and  name HB2  ) 3.0 1.2 0.5
assign (resid    4 and  name HE3  )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    4 and  name HE3  )(resid    4 and  name HB1  ) 3.0 1.2 0.5
assign (resid    4 and  name HE3  )(resid    4 and  name HB2  ) 2.5 0.7 0.2
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.5 0.7 1.2
assign (resid    6 and  name HN   )(resid    6 and  name HB   ) 2.5 0.7 0.2
assign (resid    6 and  name HN   )(resid    6 and  name HG2# ) 3.0 1.2 1.5
assign (resid    8 and  name HN   )(resid    8 and  name HB1  ) 2.5 0.7 0.2
assign (resid    8 and  name HN   )(resid    8 and  name HB2  ) 3.0 1.2 0.5
assign (resid    8 and  name HN   )(resid    8 and  name HD2  ) 3.0 1.2 0.5
assign (resid    8 and  name HD2  )(resid    8 and  name HB1  ) 3.0 1.2 0.5
assign (resid    8 and  name HD2  )(resid    8 and  name HB2  ) 3.0 1.2 0.5
assign (resid    9 and  name HN   )(resid    9 and  name HB1  ) 2.5 0.7 0.2
assign (resid    9 and  name HN   )(resid    9 and  name HB2  ) 3.0 1.2 0.5
assign (resid    9 and  name HN   )(resid    9 and  name HD#  ) 3.0 1.2 2.5
assign (resid    9 and  name HE#  )(resid    9 and  name HB1  ) 2.5 0.7 2.2
assign (resid    9 and  name HE#  )(resid    9 and  name HB2  ) 2.5 0.7 2.2
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 3.0 1.2 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 2.5 0.7 0.2
assign (resid   10 and  name HN   )(resid   10 and  name HG1  ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HG2  ) 4.0 2.2 1.0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  10.841   3.555   2.256
    2   2H    GLY   1          2H        GLY   1   9.851   2.304   2.841
    3   3H    GLY   1          3H        GLY   1   9.872   3.812   3.623
    4   1HA   GLY   1          2HA       GLY   1   8.293   4.611   2.315
    5   2HA   GLY   1          1HA       GLY   1   9.222   4.149   0.888
    6    H    ASN   2           H        ASN   2   6.291   3.717   2.169
    7    HA   ASN   2           HA       ASN   2   6.099   0.825   1.393
    8   1HB   ASN   2          2HB       ASN   2   3.856   1.125   2.657
    9   2HB   ASN   2          1HB       ASN   2   5.340   1.110   3.608
   10   1HD2  ASN   2          1HD2      ASN   2   2.551   2.982   2.814
   11   2HD2  ASN   2          2HD2      ASN   2   3.019   4.415   3.594
   12    H    LEU   3           H        LEU   3   5.504   0.700  -0.714
   13    HA   LEU   3           HA       LEU   3   3.463   2.624  -1.774
   14   1HB   LEU   3          2HB       LEU   3   5.041   0.761  -3.508
   15   2HB   LEU   3          1HB       LEU   3   4.567   2.432  -3.813
   16    HG   LEU   3           HG       LEU   3   6.709   1.521  -1.870
   17   1HD1  LEU   3          1HD1      LEU   3   7.124   3.235  -4.317
   18   2HD1  LEU   3          2HD1      LEU   3   7.088   1.478  -4.465
   19   3HD1  LEU   3          3HD1      LEU   3   8.299   2.252  -3.442
   20   1HD2  LEU   3          1HD2      LEU   3   5.162   3.955  -2.094
   21   2HD2  LEU   3          2HD2      LEU   3   6.859   4.295  -2.435
   22   3HD2  LEU   3          3HD2      LEU   3   6.400   3.539  -0.909
   23    H    TRP   4           H        TRP   4   4.231  -0.670  -1.053
   24    HA   TRP   4           HA       TRP   4   1.799  -1.669  -2.435
   25   1HB   TRP   4          2HB       TRP   4   2.925  -3.664  -2.468
   26   2HB   TRP   4          1HB       TRP   4   4.295  -2.590  -2.390
   27    HD1  TRP   4           HD1      TRP   4   3.980  -1.971   0.763
   28    HE1  TRP   4           HE1      TRP   4   4.708  -3.777   2.448
   29    HE3  TRP   4           HE3      TRP   4   3.804  -6.065  -2.251
   30    HZ2  TRP   4           HZ2      TRP   4   5.158  -6.603   2.500
   31    HZ3  TRP   4           HZ3      TRP   4   4.387  -8.306  -1.367
   32    HH2  TRP   4           HH2      TRP   4   5.063  -8.581   1.003
   33    H    ALA   5           H        ALA   5   2.871  -0.561   0.574
   34    HA   ALA   5           HA       ALA   5   1.258  -2.295   2.221
   35   1HB   ALA   5          1HB       ALA   5   3.386  -0.758   2.677
   36   2HB   ALA   5          2HB       ALA   5   2.213  -1.069   3.957
   37   3HB   ALA   5          3HB       ALA   5   2.149   0.441   3.049
   38    H    THR   6           H        THR   6   0.638   0.131   0.020
   39    HA   THR   6           HA       THR   6  -1.921   0.957   1.360
   40    HB   THR   6           HB       THR   6   0.247   2.350  -0.142
   41    HG1  THR   6           HG1      THR   6   0.045   3.717   1.499
   42   1HG2  THR   6          1HG2      THR   6  -2.680   3.033  -0.389
   43   2HG2  THR   6          2HG2      THR   6  -1.472   2.901  -1.667
   44   3HG2  THR   6          3HG2      THR   6  -1.426   4.264  -0.549
   45    H    GLY   7           H        GLY   7  -0.325   0.148  -1.690
   46   1HA   GLY   7          2HA       GLY   7  -2.474   0.414  -3.478
   47   2HA   GLY   7          1HA       GLY   7  -1.196  -0.788  -3.662
   48    H    HIS   8           H        HIS   8  -2.090  -1.803  -0.870
   49    HA   HIS   8           HA       HIS   8  -3.716  -3.969  -1.810
   50   1HB   HIS   8          2HB       HIS   8  -3.435  -4.708   0.372
   51   2HB   HIS   8          1HB       HIS   8  -2.112  -3.578   0.267
   52    HD1  HIS   8           HD1      HIS   8  -5.607  -3.950   1.670
   53    HD2  HIS   8           HD2      HIS   8  -2.327  -1.434   1.956
   54    HE1  HIS   8           HE1      HIS   8  -6.075  -2.403   3.622
   55    H    PHE   9           H        PHE   9  -4.514  -1.141   0.186
   56    HA   PHE   9           HA       PHE   9  -7.406  -1.679   0.001
   57   1HB   PHE   9          2HB       PHE   9  -5.566  -0.464   1.720
   58   2HB   PHE   9          1HB       PHE   9  -6.517   0.849   1.090
   59    HD1  PHE   9           HD1      PHE   9  -6.502  -0.228   3.995
   60    HD2  PHE   9           HD2      PHE   9  -9.023  -1.007   0.604
   61    HE1  PHE   9           HE1      PHE   9  -8.363  -0.837   5.516
   62    HE2  PHE   9           HE2      PHE   9 -10.881  -1.618   2.125
   63    HZ   PHE   9           HZ       PHE   9 -10.552  -1.533   4.582
   64    H    MET  10           H        MET  10  -5.010  -0.009  -1.748
   65    HA   MET  10           HA       MET  10  -6.967   1.930  -2.792
   66   1HB   MET  10          2HB       MET  10  -4.147   1.916  -2.202
   67   2HB   MET  10          1HB       MET  10  -4.376   2.280  -3.913
   68   1HG   MET  10          2HG       MET  10  -4.392   4.340  -2.536
   69   2HG   MET  10          1HG       MET  10  -5.943   4.084  -3.337
   70   1HE   MET  10          1HE       MET  10  -4.603   4.013   0.875
   71   2HE   MET  10          2HE       MET  10  -5.106   5.555   0.186
   72   3HE   MET  10          3HE       MET  10  -3.892   4.584  -0.641
   73   1HN   NH2  11          1HN       NH2  11  -6.663  -1.051  -3.319
   74   2HN   NH2  11          2HN       NH2  11  -6.552  -1.156  -4.983
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  10.692   1.793   0.606
    2   2H    GLY   1          2H        GLY   1  11.827   0.529   0.577
    3   3H    GLY   1          3H        GLY   1  12.098   1.896   1.550
    4   1HA   GLY   1          2HA       GLY   1  11.323  -0.131   2.768
    5   2HA   GLY   1          1HA       GLY   1  10.368   1.329   3.029
    6    H    ASN   2           H        ASN   2   8.347   0.419   3.354
    7    HA   ASN   2           HA       ASN   2   7.313  -1.485   1.293
    8   1HB   ASN   2          2HB       ASN   2   5.556  -1.841   3.069
    9   2HB   ASN   2          1HB       ASN   2   7.193  -2.231   3.593
   10   1HD2  ASN   2          1HD2      ASN   2   4.596  -1.014   4.965
   11   2HD2  ASN   2          2HD2      ASN   2   5.239   0.261   5.883
   12    H    LEU   3           H        LEU   3   6.475  -0.224  -0.369
   13    HA   LEU   3           HA       LEU   3   4.743   2.097   0.341
   14   1HB   LEU   3          2HB       LEU   3   6.026   2.901  -1.377
   15   2HB   LEU   3          1HB       LEU   3   6.523   1.283  -1.866
   16    HG   LEU   3           HG       LEU   3   4.320   0.963  -2.963
   17   1HD1  LEU   3          1HD1      LEU   3   3.576   3.760  -3.087
   18   2HD1  LEU   3          2HD1      LEU   3   3.630   3.214  -1.411
   19   3HD1  LEU   3          3HD1      LEU   3   2.607   2.375  -2.578
   20   1HD2  LEU   3          1HD2      LEU   3   5.432   3.554  -4.011
   21   2HD2  LEU   3          2HD2      LEU   3   4.893   2.135  -4.908
   22   3HD2  LEU   3          3HD2      LEU   3   6.430   2.101  -4.043
   23    H    TRP   4           H        TRP   4   4.742  -1.169  -0.801
   24    HA   TRP   4           HA       TRP   4   2.129  -1.120  -2.071
   25   1HB   TRP   4          2HB       TRP   4   2.490  -3.504  -2.186
   26   2HB   TRP   4          1HB       TRP   4   4.006  -2.696  -2.522
   27    HD1  TRP   4           HD1      TRP   4   3.848  -2.236   0.970
   28    HE1  TRP   4           HE1      TRP   4   4.999  -4.135   2.283
   29    HE3  TRP   4           HE3      TRP   4   4.083  -5.747  -2.677
   30    HZ2  TRP   4           HZ2      TRP   4   5.903  -6.822   1.822
   31    HZ3  TRP   4           HZ3      TRP   4   5.090  -7.979  -2.238
   32    HH2  TRP   4           HH2      TRP   4   5.997  -8.518   0.009
   33    H    ALA   5           H        ALA   5   2.916  -0.566   1.044
   34    HA   ALA   5           HA       ALA   5   1.148  -2.347   2.424
   35   1HB   ALA   5          1HB       ALA   5   3.004  -0.198   2.952
   36   2HB   ALA   5          2HB       ALA   5   2.429  -1.445   4.060
   37   3HB   ALA   5          3HB       ALA   5   1.525   0.060   3.877
   38    H    THR   6           H        THR   6   0.564   0.044   0.207
   39    HA   THR   6           HA       THR   6  -2.049   0.870   1.424
   40    HB   THR   6           HB       THR   6   0.186   2.192   0.004
   41    HG1  THR   6           HG1      THR   6  -0.557   2.566   2.194
   42   1HG2  THR   6          1HG2      THR   6  -2.689   2.778  -0.699
   43   2HG2  THR   6          2HG2      THR   6  -1.325   2.525  -1.787
   44   3HG2  THR   6          3HG2      THR   6  -1.430   4.005  -0.835
   45    H    GLY   7           H        GLY   7  -0.340  -0.121  -1.496
   46   1HA   GLY   7          2HA       GLY   7  -2.366   0.008  -3.419
   47   2HA   GLY   7          1HA       GLY   7  -1.115  -1.236  -3.418
   48    H    HIS   8           H        HIS   8  -2.187  -2.021  -0.631
   49    HA   HIS   8           HA       HIS   8  -3.842  -4.197  -1.498
   50   1HB   HIS   8          2HB       HIS   8  -3.719  -4.772   0.751
   51   2HB   HIS   8          1HB       HIS   8  -2.341  -3.712   0.630
   52    HD1  HIS   8           HD1      HIS   8  -5.935  -3.785   1.838
   53    HD2  HIS   8           HD2      HIS   8  -2.522  -1.458   2.158
   54    HE1  HIS   8           HE1      HIS   8  -6.419  -2.065   3.638
   55    H    PHE   9           H        PHE   9  -4.639  -1.195   0.223
   56    HA   PHE   9           HA       PHE   9  -7.528  -1.639   0.003
   57   1HB   PHE   9          2HB       PHE   9  -5.647  -0.197   1.515
   58   2HB   PHE   9          1HB       PHE   9  -6.611   1.000   0.701
   59    HD1  PHE   9           HD1      PHE   9  -7.777  -2.375   1.699
   60    HD2  PHE   9           HD2      PHE   9  -7.898   1.831   2.561
   61    HE1  PHE   9           HE1      PHE   9  -9.625  -2.757   3.306
   62    HE2  PHE   9           HE2      PHE   9  -9.745   1.449   4.169
   63    HZ   PHE   9           HZ       PHE   9 -10.609  -0.845   4.542
   64    H    MET  10           H        MET  10  -5.061  -0.402  -1.972
   65    HA   MET  10           HA       MET  10  -6.924   1.418  -3.355
   66   1HB   MET  10          2HB       MET  10  -3.969   1.145  -3.045
   67   2HB   MET  10          1HB       MET  10  -4.552   1.816  -4.570
   68   1HG   MET  10          2HG       MET  10  -5.442   2.850  -1.868
   69   2HG   MET  10          1HG       MET  10  -4.079   3.529  -2.756
   70   1HE   MET  10          1HE       MET  10  -4.977   3.943  -5.928
   71   2HE   MET  10          2HE       MET  10  -3.968   4.566  -4.625
   72   3HE   MET  10          3HE       MET  10  -5.198   5.598  -5.347
   73   1HN   NH2  11          1HN       NH2  11  -6.740  -1.619  -3.360
   74   2HN   NH2  11          2HN       NH2  11  -6.619  -2.012  -4.981
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  10.987   2.253   3.026
    2   2H    GLY   1          2H        GLY   1   9.350   2.038   2.625
    3   3H    GLY   1          3H        GLY   1  10.380   2.888   1.575
    4   1HA   GLY   1          2HA       GLY   1  11.254   1.040   0.676
    5   2HA   GLY   1          1HA       GLY   1  11.209   0.181   2.217
    6    H    ASN   2           H        ASN   2   8.545   0.368   2.913
    7    HA   ASN   2           HA       ASN   2   7.306  -1.436   0.911
    8   1HB   ASN   2          2HB       ASN   2   6.723  -0.596   3.756
    9   2HB   ASN   2          1HB       ASN   2   5.615  -1.611   2.834
   10   1HD2  ASN   2          1HD2      ASN   2   6.020  -3.497   4.192
   11   2HD2  ASN   2          2HD2      ASN   2   7.496  -4.331   4.130
   12    H    LEU   3           H        LEU   3   6.371  -0.229  -0.731
   13    HA   LEU   3           HA       LEU   3   4.707   2.132   0.010
   14   1HB   LEU   3          2HB       LEU   3   5.861   2.884  -1.814
   15   2HB   LEU   3          1HB       LEU   3   6.358   1.254  -2.261
   16    HG   LEU   3           HG       LEU   3   4.093   0.865  -3.224
   17   1HD1  LEU   3          1HD1      LEU   3   3.392   3.691  -3.417
   18   2HD1  LEU   3          2HD1      LEU   3   3.437   3.143  -1.742
   19   3HD1  LEU   3          3HD1      LEU   3   2.398   2.325  -2.909
   20   1HD2  LEU   3          1HD2      LEU   3   6.172   1.991  -4.431
   21   2HD2  LEU   3          2HD2      LEU   3   5.100   3.390  -4.492
   22   3HD2  LEU   3          3HD2      LEU   3   4.616   1.874  -5.253
   23    H    TRP   4           H        TRP   4   4.602  -1.174  -0.981
   24    HA   TRP   4           HA       TRP   4   1.922  -1.139  -2.111
   25   1HB   TRP   4          2HB       TRP   4   2.247  -3.515  -2.172
   26   2HB   TRP   4          1HB       TRP   4   3.776  -2.761  -2.571
   27    HD1  TRP   4           HD1      TRP   4   3.821  -2.152   0.861
   28    HE1  TRP   4           HE1      TRP   4   4.910  -4.048   2.232
   29    HE3  TRP   4           HE3      TRP   4   3.629  -5.879  -2.571
   30    HZ2  TRP   4           HZ2      TRP   4   5.605  -6.812   1.894
   31    HZ3  TRP   4           HZ3      TRP   4   4.504  -8.145  -2.042
   32    HH2  TRP   4           HH2      TRP   4   5.490  -8.613   0.187
   33    H    ALA   5           H        ALA   5   2.934  -0.502   0.938
   34    HA   ALA   5           HA       ALA   5   1.244  -2.172   2.513
   35   1HB   ALA   5          1HB       ALA   5   2.131   0.641   3.176
   36   2HB   ALA   5          2HB       ALA   5   3.282  -0.695   3.131
   37   3HB   ALA   5          3HB       ALA   5   1.939  -0.725   4.275
   38    H    THR   6           H        THR   6   0.588   0.211   0.245
   39    HA   THR   6           HA       THR   6  -2.053   0.939   1.473
   40    HB   THR   6           HB       THR   6   0.153   2.357   0.112
   41    HG1  THR   6           HG1      THR   6  -1.112   4.091   1.305
   42   1HG2  THR   6          1HG2      THR   6  -1.315   4.070  -0.908
   43   2HG2  THR   6          2HG2      THR   6  -2.721   3.074  -0.533
   44   3HG2  THR   6          3HG2      THR   6  -1.514   2.497  -1.681
   45    H    GLY   7           H        GLY   7  -0.292   0.074  -1.459
   46   1HA   GLY   7          2HA       GLY   7  -2.336   0.152  -3.377
   47   2HA   GLY   7          1HA       GLY   7  -1.015  -1.017  -3.414
   48    H    HIS   8           H        HIS   8  -2.043  -1.906  -0.629
   49    HA   HIS   8           HA       HIS   8  -3.545  -4.175  -1.519
   50   1HB   HIS   8          2HB       HIS   8  -3.403  -4.744   0.731
   51   2HB   HIS   8          1HB       HIS   8  -2.111  -3.577   0.637
   52    HD1  HIS   8           HD1      HIS   8  -5.751  -3.872   1.689
   53    HD2  HIS   8           HD2      HIS   8  -2.468  -1.404   2.241
   54    HE1  HIS   8           HE1      HIS   8  -6.413  -2.212   3.487
   55    H    PHE   9           H        PHE   9  -4.546  -1.226   0.181
   56    HA   PHE   9           HA       PHE   9  -7.393  -1.839   0.034
   57   1HB   PHE   9          2HB       PHE   9  -5.554  -0.160   1.353
   58   2HB   PHE   9          1HB       PHE   9  -6.650   0.895   0.510
   59    HD1  PHE   9           HD1      PHE   9  -6.355   0.331   3.602
   60    HD2  PHE   9           HD2      PHE   9  -9.044  -1.061   0.555
   61    HE1  PHE   9           HE1      PHE   9  -8.090  -0.084   5.324
   62    HE2  PHE   9           HE2      PHE   9 -10.779  -1.477   2.278
   63    HZ   PHE   9           HZ       PHE   9 -10.302  -0.989   4.662
   64    H    MET  10           H        MET  10  -5.086  -0.629  -2.133
   65    HA   MET  10           HA       MET  10  -7.097   0.992  -3.559
   66   1HB   MET  10          2HB       MET  10  -4.196   1.040  -3.162
   67   2HB   MET  10          1HB       MET  10  -4.641   1.213  -4.860
   68   1HG   MET  10          2HG       MET  10  -4.806   3.422  -4.247
   69   2HG   MET  10          1HG       MET  10  -6.432   2.908  -3.795
   70   1HE   MET  10          1HE       MET  10  -5.917   5.392  -2.322
   71   2HE   MET  10          2HE       MET  10  -4.270   5.223  -2.921
   72   3HE   MET  10          3HE       MET  10  -4.552   5.459  -1.199
   73   1HN   NH2  11          1HN       NH2  11  -6.748  -2.027  -3.356
   74   2HN   NH2  11          2HN       NH2  11  -6.678  -2.528  -4.949
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   7.738   4.198   3.373
    2   2H    GLY   1          2H        GLY   1   8.696   3.723   2.052
    3   3H    GLY   1          3H        GLY   1   9.414   4.455   3.407
    4   1HA   GLY   1          2HA       GLY   1   9.899   2.204   3.670
    5   2HA   GLY   1          1HA       GLY   1   8.527   2.502   4.739
    6    H    ASN   2           H        ASN   2   6.344   2.029   3.815
    7    HA   ASN   2           HA       ASN   2   6.489  -0.331   1.970
    8   1HB   ASN   2          2HB       ASN   2   4.511   0.513   4.110
    9   2HB   ASN   2          1HB       ASN   2   4.342  -0.931   3.111
   10   1HD2  ASN   2          1HD2      ASN   2   5.361  -0.029   6.127
   11   2HD2  ASN   2          2HD2      ASN   2   6.538  -1.220   6.403
   12    H    LEU   3           H        LEU   3   5.865   0.182  -0.051
   13    HA   LEU   3           HA       LEU   3   3.943   2.412  -0.519
   14   1HB   LEU   3          2HB       LEU   3   5.346   0.724  -2.596
   15   2HB   LEU   3          1HB       LEU   3   4.854   2.416  -2.706
   16    HG   LEU   3           HG       LEU   3   7.015   1.331  -0.887
   17   1HD1  LEU   3          1HD1      LEU   3   8.239   3.105  -2.545
   18   2HD1  LEU   3          2HD1      LEU   3   7.007   2.467  -3.634
   19   3HD1  LEU   3          3HD1      LEU   3   8.163   1.374  -2.873
   20   1HD2  LEU   3          1HD2      LEU   3   7.008   4.191  -1.332
   21   2HD2  LEU   3          2HD2      LEU   3   6.893   3.311   0.192
   22   3HD2  LEU   3          3HD2      LEU   3   5.433   3.672  -0.731
   23    H    TRP   4           H        TRP   4   4.389  -1.047  -0.837
   24    HA   TRP   4           HA       TRP   4   1.837  -1.456  -2.228
   25   1HB   TRP   4          2HB       TRP   4   2.522  -3.714  -2.224
   26   2HB   TRP   4          1HB       TRP   4   4.003  -2.801  -2.381
   27    HD1  TRP   4           HD1      TRP   4   3.657  -2.145   0.960
   28    HE1  TRP   4           HE1      TRP   4   4.623  -3.949   2.525
   29    HE3  TRP   4           HE3      TRP   4   3.907  -6.045  -2.293
   30    HZ2  TRP   4           HZ2      TRP   4   5.401  -6.704   2.400
   31    HZ3  TRP   4           HZ3      TRP   4   4.762  -8.254  -1.555
   32    HH2  TRP   4           HH2      TRP   4   5.508  -8.587   0.787
   33    H    ALA   5           H        ALA   5   2.669  -0.578   0.837
   34    HA   ALA   5           HA       ALA   5   0.888  -2.308   2.317
   35   1HB   ALA   5          1HB       ALA   5   2.534  -1.509   3.711
   36   2HB   ALA   5          2HB       ALA   5   1.403  -0.174   3.931
   37   3HB   ALA   5          3HB       ALA   5   2.727  -0.026   2.776
   38    H    THR   6           H        THR   6   0.441   0.088   0.095
   39    HA   THR   6           HA       THR   6  -2.111   1.052   1.339
   40    HB   THR   6           HB       THR   6   0.232   2.325   0.113
   41    HG1  THR   6           HG1      THR   6  -0.173   3.681   1.671
   42   1HG2  THR   6          1HG2      THR   6  -1.276   2.666  -1.773
   43   2HG2  THR   6          2HG2      THR   6  -1.048   4.190  -0.917
   44   3HG2  THR   6          3HG2      THR   6  -2.533   3.265  -0.690
   45    H    GLY   7           H        GLY   7  -0.448   0.358  -1.714
   46   1HA   GLY   7          2HA       GLY   7  -2.604   0.592  -3.499
   47   2HA   GLY   7          1HA       GLY   7  -1.269  -0.540  -3.727
   48    H    HIS   8           H        HIS   8  -2.112  -1.709  -0.986
   49    HA   HIS   8           HA       HIS   8  -3.656  -3.900  -2.024
   50   1HB   HIS   8          2HB       HIS   8  -3.335  -4.734   0.124
   51   2HB   HIS   8          1HB       HIS   8  -2.029  -3.578   0.029
   52    HD1  HIS   8           HD1      HIS   8  -5.649  -3.740   1.255
   53    HD2  HIS   8           HD2      HIS   8  -2.071  -1.794   2.036
   54    HE1  HIS   8           HE1      HIS   8  -6.053  -2.323   3.318
   55    H    PHE   9           H        PHE   9  -4.537  -1.196   0.102
   56    HA   PHE   9           HA       PHE   9  -7.357  -1.862   0.203
   57   1HB   PHE   9          2HB       PHE   9  -5.448  -0.212   1.419
   58   2HB   PHE   9          1HB       PHE   9  -6.605   0.878   0.714
   59    HD1  PHE   9           HD1      PHE   9  -8.975  -1.125   0.876
   60    HD2  PHE   9           HD2      PHE   9  -6.078   0.228   3.743
   61    HE1  PHE   9           HE1      PHE   9 -10.567  -1.612   2.714
   62    HE2  PHE   9           HE2      PHE   9  -7.669  -0.259   5.582
   63    HZ   PHE   9           HZ       PHE   9  -9.914  -1.180   5.067
   64    H    MET  10           H        MET  10  -5.332  -0.381  -2.106
   65    HA   MET  10           HA       MET  10  -7.592   1.138  -3.237
   66   1HB   MET  10          2HB       MET  10  -4.968   1.817  -2.802
   67   2HB   MET  10          1HB       MET  10  -4.919   1.296  -4.487
   68   1HG   MET  10          2HG       MET  10  -6.960   3.268  -3.436
   69   2HG   MET  10          1HG       MET  10  -5.420   3.763  -4.138
   70   1HE   MET  10          1HE       MET  10  -9.238   2.584  -6.147
   71   2HE   MET  10          2HE       MET  10  -8.888   3.252  -4.555
   72   3HE   MET  10          3HE       MET  10  -8.665   1.529  -4.848
   73   1HN   NH2  11          1HN       NH2  11  -6.998  -1.840  -3.249
   74   2HN   NH2  11          2HN       NH2  11  -7.034  -2.254  -4.868
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  11.144   1.017  -0.459
    2   2H    GLY   1          2H        GLY   1  11.999   0.117   0.700
    3   3H    GLY   1          3H        GLY   1  12.263   1.789   0.555
    4   1HA   GLY   1          2HA       GLY   1  10.784   0.927   2.461
    5   2HA   GLY   1          1HA       GLY   1  10.280   2.350   1.550
    6    H    ASN   2           H        ASN   2   8.612   0.316   2.943
    7    HA   ASN   2           HA       ASN   2   7.318  -1.328   0.919
    8   1HB   ASN   2          2HB       ASN   2   6.548  -0.408   3.704
    9   2HB   ASN   2          1HB       ASN   2   5.667  -1.630   2.786
   10   1HD2  ASN   2          1HD2      ASN   2   6.208  -3.433   4.142
   11   2HD2  ASN   2          2HD2      ASN   2   7.796  -4.009   4.308
   12    H    LEU   3           H        LEU   3   6.365  -0.178  -0.757
   13    HA   LEU   3           HA       LEU   3   4.669   2.178  -0.082
   14   1HB   LEU   3          2HB       LEU   3   5.828   2.886  -1.924
   15   2HB   LEU   3          1HB       LEU   3   6.322   1.245  -2.334
   16    HG   LEU   3           HG       LEU   3   4.066   0.827  -3.282
   17   1HD1  LEU   3          1HD1      LEU   3   3.304   2.997  -1.789
   18   2HD1  LEU   3          2HD1      LEU   3   2.355   2.321  -3.114
   19   3HD1  LEU   3          3HD1      LEU   3   3.411   3.706  -3.400
   20   1HD2  LEU   3          1HD2      LEU   3   4.594   1.774  -5.326
   21   2HD2  LEU   3          2HD2      LEU   3   6.133   2.011  -4.499
   22   3HD2  LEU   3          3HD2      LEU   3   4.983   3.342  -4.617
   23    H    TRP   4           H        TRP   4   4.615  -1.148  -1.044
   24    HA   TRP   4           HA       TRP   4   1.925  -1.168  -2.142
   25   1HB   TRP   4          2HB       TRP   4   2.292  -3.530  -2.210
   26   2HB   TRP   4          1HB       TRP   4   3.819  -2.761  -2.588
   27    HD1  TRP   4           HD1      TRP   4   3.856  -2.151   0.833
   28    HE1  TRP   4           HE1      TRP   4   4.929  -4.043   2.218
   29    HE3  TRP   4           HE3      TRP   4   3.652  -5.900  -2.577
   30    HZ2  TRP   4           HZ2      TRP   4   5.608  -6.813   1.900
   31    HZ3  TRP   4           HZ3      TRP   4   4.512  -8.166  -2.029
   32    HH2  TRP   4           HH2      TRP   4   5.489  -8.625   0.205
   33    H    ALA   5           H        ALA   5   2.961  -0.510   0.901
   34    HA   ALA   5           HA       ALA   5   1.283  -2.188   2.484
   35   1HB   ALA   5          1HB       ALA   5   3.239  -0.177   2.802
   36   2HB   ALA   5          2HB       ALA   5   2.479  -1.117   4.087
   37   3HB   ALA   5          3HB       ALA   5   1.796   0.438   3.609
   38    H    THR   6           H        THR   6   0.616   0.197   0.227
   39    HA   THR   6           HA       THR   6  -2.012   0.932   1.474
   40    HB   THR   6           HB       THR   6   0.178   2.349   0.080
   41    HG1  THR   6           HG1      THR   6  -1.122   4.073   1.305
   42   1HG2  THR   6          1HG2      THR   6  -1.501   2.515  -1.682
   43   2HG2  THR   6          2HG2      THR   6  -1.331   4.077  -0.881
   44   3HG2  THR   6          3HG2      THR   6  -2.711   3.043  -0.513
   45    H    GLY   7           H        GLY   7  -0.279   0.062  -1.471
   46   1HA   GLY   7          2HA       GLY   7  -2.325   0.151  -3.379
   47   2HA   GLY   7          1HA       GLY   7  -1.019  -1.033  -3.416
   48    H    HIS   8           H        HIS   8  -2.043  -1.912  -0.631
   49    HA   HIS   8           HA       HIS   8  -3.580  -4.160  -1.515
   50   1HB   HIS   8          2HB       HIS   8  -3.430  -4.737   0.732
   51   2HB   HIS   8          1HB       HIS   8  -2.118  -3.593   0.627
   52    HD1  HIS   8           HD1      HIS   8  -5.746  -3.838   1.733
   53    HD2  HIS   8           HD2      HIS   8  -2.425  -1.406   2.222
   54    HE1  HIS   8           HE1      HIS   8  -6.359  -2.163   3.533
   55    H    PHE   9           H        PHE   9  -4.537  -1.208   0.209
   56    HA   PHE   9           HA       PHE   9  -7.396  -1.811   0.021
   57   1HB   PHE   9          2HB       PHE   9  -5.596  -0.256   1.503
   58   2HB   PHE   9          1HB       PHE   9  -6.598   0.891   0.661
   59    HD1  PHE   9           HD1      PHE   9  -9.041  -1.060   0.495
   60    HD2  PHE   9           HD2      PHE   9  -6.529   0.264   3.719
   61    HE1  PHE   9           HE1      PHE   9 -10.882  -1.479   2.101
   62    HE2  PHE   9           HE2      PHE   9  -8.371  -0.155   5.326
   63    HZ   PHE   9           HZ       PHE   9 -10.547  -1.027   4.517
   64    H    MET  10           H        MET  10  -5.024  -0.417  -1.984
   65    HA   MET  10           HA       MET  10  -7.028   1.238  -3.373
   66   1HB   MET  10          2HB       MET  10  -4.053   1.187  -3.104
   67   2HB   MET  10          1HB       MET  10  -4.718   1.831  -4.606
   68   1HG   MET  10          2HG       MET  10  -6.025   2.805  -2.138
   69   2HG   MET  10          1HG       MET  10  -4.353   3.322  -2.353
   70   1HE   MET  10          1HE       MET  10  -5.995   6.435  -3.295
   71   2HE   MET  10          2HE       MET  10  -5.811   5.298  -1.962
   72   3HE   MET  10          3HE       MET  10  -7.360   5.429  -2.791
   73   1HN   NH2  11          1HN       NH2  11  -6.611  -1.774  -3.351
   74   2HN   NH2  11          2HN       NH2  11  -6.473  -2.172  -4.969
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  10.812   1.975   3.051
    2   2H    GLY   1          2H        GLY   1  10.885   3.673   3.051
    3   3H    GLY   1          3H        GLY   1  10.382   2.841   1.658
    4   1HA   GLY   1          2HA       GLY   1   8.926   2.752   4.241
    5   2HA   GLY   1          1HA       GLY   1   8.534   3.871   2.935
    6    H    ASN   2           H        ASN   2   6.493   2.305   3.484
    7    HA   ASN   2           HA       ASN   2   6.634  -0.066   1.658
    8   1HB   ASN   2          2HB       ASN   2   4.513  -0.657   2.919
    9   2HB   ASN   2          1HB       ASN   2   5.966  -0.581   3.913
   10   1HD2  ASN   2          1HD2      ASN   2   5.957   0.884   5.656
   11   2HD2  ASN   2          2HD2      ASN   2   4.743   2.038   5.925
   12    H    LEU   3           H        LEU   3   5.887   0.375  -0.339
   13    HA   LEU   3           HA       LEU   3   3.836   2.501  -0.747
   14   1HB   LEU   3          2HB       LEU   3   5.215   0.871  -2.882
   15   2HB   LEU   3          1HB       LEU   3   4.655   2.543  -2.963
   16    HG   LEU   3           HG       LEU   3   6.941   1.555  -1.240
   17   1HD1  LEU   3          1HD1      LEU   3   8.318   1.919  -2.996
   18   2HD1  LEU   3          2HD1      LEU   3   7.603   3.503  -3.292
   19   3HD1  LEU   3          3HD1      LEU   3   6.882   2.062  -4.010
   20   1HD2  LEU   3          1HD2      LEU   3   6.697   4.421  -1.833
   21   2HD2  LEU   3          2HD2      LEU   3   6.944   3.615  -0.284
   22   3HD2  LEU   3          3HD2      LEU   3   5.315   3.787  -0.938
   23    H    TRP   4           H        TRP   4   4.454  -0.933  -1.038
   24    HA   TRP   4           HA       TRP   4   1.896  -1.512  -2.346
   25   1HB   TRP   4          2HB       TRP   4   2.725  -3.705  -2.352
   26   2HB   TRP   4          1HB       TRP   4   4.179  -2.737  -2.427
   27    HD1  TRP   4           HD1      TRP   4   3.847  -2.055   0.831
   28    HE1  TRP   4           HE1      TRP   4   4.712  -3.845   2.467
   29    HE3  TRP   4           HE3      TRP   4   3.922  -6.087  -2.276
   30    HZ2  TRP   4           HZ2      TRP   4   5.352  -6.634   2.452
   31    HZ3  TRP   4           HZ3      TRP   4   4.663  -8.302  -1.446
   32    HH2  TRP   4           HH2      TRP   4   5.377  -8.580   0.913
   33    H    ALA   5           H        ALA   5   2.798  -0.562   0.705
   34    HA   ALA   5           HA       ALA   5   1.087  -2.302   2.248
   35   1HB   ALA   5          1HB       ALA   5   2.787   0.127   2.649
   36   2HB   ALA   5          2HB       ALA   5   2.843  -1.421   3.493
   37   3HB   ALA   5          3HB       ALA   5   1.585  -0.249   3.885
   38    H    THR   6           H        THR   6   0.562   0.097   0.028
   39    HA   THR   6           HA       THR   6  -1.988   1.021   1.310
   40    HB   THR   6           HB       THR   6   0.272   2.309  -0.120
   41    HG1  THR   6           HG1      THR   6  -1.498   2.849   1.976
   42   1HG2  THR   6          1HG2      THR   6  -2.604   3.105  -0.574
   43   2HG2  THR   6          2HG2      THR   6  -1.347   2.825  -1.780
   44   3HG2  THR   6          3HG2      THR   6  -1.274   4.250  -0.744
   45    H    GLY   7           H        GLY   7  -0.367   0.159  -1.714
   46   1HA   GLY   7          2HA       GLY   7  -2.507   0.425  -3.518
   47   2HA   GLY   7          1HA       GLY   7  -1.223  -0.773  -3.694
   48    H    HIS   8           H        HIS   8  -2.141  -1.783  -0.903
   49    HA   HIS   8           HA       HIS   8  -3.768  -3.947  -1.869
   50   1HB   HIS   8          2HB       HIS   8  -3.487  -4.715   0.306
   51   2HB   HIS   8          1HB       HIS   8  -2.147  -3.605   0.193
   52    HD1  HIS   8           HD1      HIS   8  -5.689  -3.831   1.554
   53    HD2  HIS   8           HD2      HIS   8  -2.251  -1.556   1.972
   54    HE1  HIS   8           HE1      HIS   8  -6.099  -2.294   3.529
   55    H    PHE   9           H        PHE   9  -4.553  -1.144   0.170
   56    HA   PHE   9           HA       PHE   9  -7.437  -1.692   0.055
   57   1HB   PHE   9          2HB       PHE   9  -5.548  -0.396   1.666
   58   2HB   PHE   9          1HB       PHE   9  -6.550   0.877   1.035
   59    HD1  PHE   9           HD1      PHE   9  -7.790   1.461   3.007
   60    HD2  PHE   9           HD2      PHE   9  -7.641  -2.617   1.661
   61    HE1  PHE   9           HE1      PHE   9  -9.582   0.864   4.615
   62    HE2  PHE   9           HE2      PHE   9  -9.434  -3.212   3.268
   63    HZ   PHE   9           HZ       PHE   9 -10.404  -1.472   4.744
   64    H    MET  10           H        MET  10  -5.112  -0.056  -1.824
   65    HA   MET  10           HA       MET  10  -7.150   1.792  -2.886
   66   1HB   MET  10          2HB       MET  10  -4.397   2.004  -2.252
   67   2HB   MET  10          1HB       MET  10  -4.501   2.079  -4.012
   68   1HG   MET  10          2HG       MET  10  -4.983   4.275  -3.691
   69   2HG   MET  10          1HG       MET  10  -6.591   3.696  -3.256
   70   1HE   MET  10          1HE       MET  10  -7.648   3.796  -1.508
   71   2HE   MET  10          2HE       MET  10  -7.274   4.594   0.018
   72   3HE   MET  10          3HE       MET  10  -6.899   2.885  -0.189
   73   1HN   NH2  11          1HN       NH2  11  -6.746  -1.194  -3.311
   74   2HN   NH2  11          2HN       NH2  11  -6.672  -1.355  -4.973
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  11.622  -0.240   2.119
    2   2H    GLY   1          2H        GLY   1  10.504  -0.042   3.383
    3   3H    GLY   1          3H        GLY   1  11.846   0.993   3.263
    4   1HA   GLY   1          2HA       GLY   1  10.056   2.247   2.461
    5   2HA   GLY   1          1HA       GLY   1  10.939   1.704   1.034
    6    H    ASN   2           H        ASN   2   8.533   0.173   3.206
    7    HA   ASN   2           HA       ASN   2   7.306  -1.356   1.097
    8   1HB   ASN   2          2HB       ASN   2   6.325  -0.459   3.825
    9   2HB   ASN   2          1HB       ASN   2   5.581  -1.730   2.856
   10   1HD2  ASN   2          1HD2      ASN   2   6.116  -3.582   4.093
   11   2HD2  ASN   2          2HD2      ASN   2   7.708  -4.038   4.463
   12    H    LEU   3           H        LEU   3   6.420  -0.214  -0.618
   13    HA   LEU   3           HA       LEU   3   4.719   2.160  -0.030
   14   1HB   LEU   3          2HB       LEU   3   5.944   2.825  -1.845
   15   2HB   LEU   3          1HB       LEU   3   6.430   1.172  -2.215
   16    HG   LEU   3           HG       LEU   3   4.214   0.765  -3.243
   17   1HD1  LEU   3          1HD1      LEU   3   3.463   3.017  -1.795
   18   2HD1  LEU   3          2HD1      LEU   3   2.489   2.215  -3.028
   19   3HD1  LEU   3          3HD1      LEU   3   3.497   3.596  -3.460
   20   1HD2  LEU   3          1HD2      LEU   3   5.004   1.533  -5.226
   21   2HD2  LEU   3          2HD2      LEU   3   6.338   2.214  -4.295
   22   3HD2  LEU   3          3HD2      LEU   3   4.937   3.211  -4.690
   23    H    TRP   4           H        TRP   4   4.658  -1.175  -0.997
   24    HA   TRP   4           HA       TRP   4   1.986  -1.168  -2.136
   25   1HB   TRP   4          2HB       TRP   4   2.332  -3.539  -2.194
   26   2HB   TRP   4          1HB       TRP   4   3.859  -2.773  -2.576
   27    HD1  TRP   4           HD1      TRP   4   3.851  -2.181   0.871
   28    HE1  TRP   4           HE1      TRP   4   4.944  -4.073   2.239
   29    HE3  TRP   4           HE3      TRP   4   3.757  -5.880  -2.597
   30    HZ2  TRP   4           HZ2      TRP   4   5.681  -6.825   1.888
   31    HZ3  TRP   4           HZ3      TRP   4   4.656  -8.138  -2.074
   32    HH2  TRP   4           HH2      TRP   4   5.615  -8.612   0.164
   33    H    ALA   5           H        ALA   5   2.963  -0.517   0.922
   34    HA   ALA   5           HA       ALA   5   1.257  -2.197   2.477
   35   1HB   ALA   5          1HB       ALA   5   1.685   0.308   3.751
   36   2HB   ALA   5          2HB       ALA   5   3.126  -0.024   2.790
   37   3HB   ALA   5          3HB       ALA   5   2.589  -1.186   4.004
   38    H    THR   6           H        THR   6   0.613   0.165   0.201
   39    HA   THR   6           HA       THR   6  -2.008   0.940   1.434
   40    HB   THR   6           HB       THR   6   0.207   2.311   0.054
   41    HG1  THR   6           HG1      THR   6  -0.157   3.267   1.881
   42   1HG2  THR   6          1HG2      THR   6  -2.605   2.626  -0.904
   43   2HG2  THR   6          2HG2      THR   6  -1.091   2.755  -1.800
   44   3HG2  THR   6          3HG2      THR   6  -1.612   4.075  -0.753
   45    H    GLY   7           H        GLY   7  -0.286   0.015  -1.499
   46   1HA   GLY   7          2HA       GLY   7  -2.322   0.088  -3.411
   47   2HA   GLY   7          1HA       GLY   7  -1.037  -1.121  -3.419
   48    H    HIS   8           H        HIS   8  -2.071  -1.945  -0.632
   49    HA   HIS   8           HA       HIS   8  -3.667  -4.165  -1.492
   50   1HB   HIS   8          2HB       HIS   8  -3.511  -4.737   0.756
   51   2HB   HIS   8          1HB       HIS   8  -2.174  -3.625   0.636
   52    HD1  HIS   8           HD1      HIS   8  -5.787  -3.797   1.794
   53    HD2  HIS   8           HD2      HIS   8  -2.424  -1.412   2.207
   54    HE1  HIS   8           HE1      HIS   8  -6.346  -2.096   3.589
   55    H    PHE   9           H        PHE   9  -4.540  -1.188   0.232
   56    HA   PHE   9           HA       PHE   9  -7.422  -1.717  -0.016
   57   1HB   PHE   9          2HB       PHE   9  -5.623  -0.327   1.618
   58   2HB   PHE   9          1HB       PHE   9  -6.554   0.910   0.822
   59    HD1  PHE   9           HD1      PHE   9  -7.717  -2.515   1.661
   60    HD2  PHE   9           HD2      PHE   9  -7.950   1.666   2.616
   61    HE1  PHE   9           HE1      PHE   9  -9.629  -2.968   3.175
   62    HE2  PHE   9           HE2      PHE   9  -9.863   1.214   4.130
   63    HZ   PHE   9           HZ       PHE   9 -10.701  -1.104   4.409
   64    H    MET  10           H        MET  10  -4.946  -0.257  -1.848
   65    HA   MET  10           HA       MET  10  -6.864   1.537  -3.184
   66   1HB   MET  10          2HB       MET  10  -4.238   1.850  -2.321
   67   2HB   MET  10          1HB       MET  10  -4.063   1.581  -4.056
   68   1HG   MET  10          2HG       MET  10  -4.322   3.978  -3.599
   69   2HG   MET  10          1HG       MET  10  -5.724   3.376  -4.484
   70   1HE   MET  10          1HE       MET  10  -5.071   3.869  -0.134
   71   2HE   MET  10          2HE       MET  10  -5.058   5.468  -0.872
   72   3HE   MET  10          3HE       MET  10  -4.003   4.207  -1.503
   73   1HN   NH2  11          1HN       NH2  11  -6.525  -1.477  -3.355
   74   2HN   NH2  11          2HN       NH2  11  -6.338  -1.770  -4.991
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   8.443   4.331   2.622
    2   2H    GLY   1          2H        GLY   1   8.313   5.059   4.151
    3   3H    GLY   1          3H        GLY   1   6.935   4.417   3.392
    4   1HA   GLY   1          2HA       GLY   1   9.277   2.784   4.199
    5   2HA   GLY   1          1HA       GLY   1   7.842   3.000   5.203
    6    H    ASN   2           H        ASN   2   5.738   2.362   4.193
    7    HA   ASN   2           HA       ASN   2   6.120  -0.066   2.485
    8   1HB   ASN   2          2HB       ASN   2   3.645   0.753   4.011
    9   2HB   ASN   2          1HB       ASN   2   4.157  -0.867   3.540
   10   1HD2  ASN   2          1HD2      ASN   2   4.253   1.438   6.090
   11   2HD2  ASN   2          2HD2      ASN   2   5.382   0.638   7.074
   12    H    LEU   3           H        LEU   3   5.795   0.367   0.368
   13    HA   LEU   3           HA       LEU   3   3.834   2.458  -0.454
   14   1HB   LEU   3          2HB       LEU   3   5.625   0.829  -2.259
   15   2HB   LEU   3          1HB       LEU   3   5.066   2.490  -2.471
   16    HG   LEU   3           HG       LEU   3   7.010   1.535  -0.355
   17   1HD1  LEU   3          1HD1      LEU   3   8.653   2.888  -1.618
   18   2HD1  LEU   3          2HD1      LEU   3   7.418   3.273  -2.817
   19   3HD1  LEU   3          3HD1      LEU   3   7.982   1.612  -2.634
   20   1HD2  LEU   3          1HD2      LEU   3   7.174   3.872   0.276
   21   2HD2  LEU   3          2HD2      LEU   3   5.467   3.430   0.284
   22   3HD2  LEU   3          3HD2      LEU   3   6.132   4.355  -1.061
   23    H    TRP   4           H        TRP   4   4.542  -0.974  -0.604
   24    HA   TRP   4           HA       TRP   4   2.200  -1.543  -2.299
   25   1HB   TRP   4          2HB       TRP   4   3.070  -3.744  -2.277
   26   2HB   TRP   4          1HB       TRP   4   4.467  -2.695  -2.303
   27    HD1  TRP   4           HD1      TRP   4   3.729  -2.214   1.043
   28    HE1  TRP   4           HE1      TRP   4   4.778  -3.958   2.618
   29    HE3  TRP   4           HE3      TRP   4   4.791  -5.863  -2.328
   30    HZ2  TRP   4           HZ2      TRP   4   5.925  -6.580   2.457
   31    HZ3  TRP   4           HZ3      TRP   4   5.863  -7.981  -1.604
   32    HH2  TRP   4           HH2      TRP   4   6.430  -8.343   0.783
   33    H    ALA   5           H        ALA   5   2.665  -0.714   0.854
   34    HA   ALA   5           HA       ALA   5   0.810  -2.624   2.035
   35   1HB   ALA   5          1HB       ALA   5   1.201  -0.997   4.013
   36   2HB   ALA   5          2HB       ALA   5   2.373  -0.210   2.955
   37   3HB   ALA   5          3HB       ALA   5   2.600  -1.896   3.424
   38    H    THR   6           H        THR   6   0.479  -0.183  -0.066
   39    HA   THR   6           HA       THR   6  -2.028   0.916   1.170
   40    HB   THR   6           HB       THR   6   0.260   2.034  -0.403
   41    HG1  THR   6           HG1      THR   6   0.407   2.635   1.625
   42   1HG2  THR   6          1HG2      THR   6  -1.493   4.115  -0.474
   43   2HG2  THR   6          2HG2      THR   6  -2.578   2.757  -0.777
   44   3HG2  THR   6          3HG2      THR   6  -1.193   3.034  -1.835
   45    H    GLY   7           H        GLY   7  -0.466  -0.218  -1.791
   46   1HA   GLY   7          2HA       GLY   7  -2.545   0.227  -3.643
   47   2HA   GLY   7          1HA       GLY   7  -1.386  -1.097  -3.765
   48    H    HIS   8           H        HIS   8  -2.460  -1.904  -0.951
   49    HA   HIS   8           HA       HIS   8  -4.308  -3.905  -1.916
   50   1HB   HIS   8          2HB       HIS   8  -4.066  -4.722   0.244
   51   2HB   HIS   8          1HB       HIS   8  -2.613  -3.767   0.109
   52    HD1  HIS   8           HD1      HIS   8  -6.042  -3.779   1.692
   53    HD2  HIS   8           HD2      HIS   8  -2.536  -1.575   1.759
   54    HE1  HIS   8           HE1      HIS   8  -6.260  -2.172   3.641
   55    H    PHE   9           H        PHE   9  -4.748  -1.061   0.176
   56    HA   PHE   9           HA       PHE   9  -7.677  -1.296   0.068
   57   1HB   PHE   9          2HB       PHE   9  -5.623  -0.289   1.722
   58   2HB   PHE   9          1HB       PHE   9  -6.571   1.083   1.228
   59    HD1  PHE   9           HD1      PHE   9  -7.771   1.589   3.238
   60    HD2  PHE   9           HD2      PHE   9  -7.779  -2.403   1.654
   61    HE1  PHE   9           HE1      PHE   9  -9.540   0.952   4.854
   62    HE2  PHE   9           HE2      PHE   9  -9.549  -3.041   3.270
   63    HZ   PHE   9           HZ       PHE   9 -10.429  -1.363   4.870
   64    H    MET  10           H        MET  10  -5.194   0.163  -1.740
   65    HA   MET  10           HA       MET  10  -6.999   2.313  -2.654
   66   1HB   MET  10          2HB       MET  10  -4.199   2.095  -2.092
   67   2HB   MET  10          1HB       MET  10  -4.383   2.445  -3.811
   68   1HG   MET  10          2HG       MET  10  -5.610   4.438  -3.381
   69   2HG   MET  10          1HG       MET  10  -5.869   4.005  -1.691
   70   1HE   MET  10          1HE       MET  10  -5.356   5.770  -0.680
   71   2HE   MET  10          2HE       MET  10  -4.564   6.998  -1.664
   72   3HE   MET  10          3HE       MET  10  -3.752   6.365  -0.234
   73   1HN   NH2  11          1HN       NH2  11  -6.992  -0.647  -3.273
   74   2HN   NH2  11          2HN       NH2  11  -6.914  -0.718  -4.942
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1   9.699  -0.478   5.104
    2   2H    GLY   1          2H        GLY   1  11.160   0.388   5.167
    3   3H    GLY   1          3H        GLY   1  11.079  -1.086   4.326
    4   1HA   GLY   1          2HA       GLY   1   9.928   1.531   3.581
    5   2HA   GLY   1          1HA       GLY   1  11.009   0.498   2.644
    6    H    ASN   2           H        ASN   2   7.786   0.312   4.200
    7    HA   ASN   2           HA       ASN   2   6.910  -1.559   2.051
    8   1HB   ASN   2          2HB       ASN   2   5.411  -0.618   4.505
    9   2HB   ASN   2          1HB       ASN   2   5.150  -2.097   3.580
   10   1HD2  ASN   2          1HD2      ASN   2   5.686  -2.145   6.412
   11   2HD2  ASN   2          2HD2      ASN   2   7.194  -2.887   6.648
   12    H    LEU   3           H        LEU   3   6.337  -0.323   0.257
   13    HA   LEU   3           HA       LEU   3   4.642   2.091   0.682
   14   1HB   LEU   3          2HB       LEU   3   6.148   2.787  -0.889
   15   2HB   LEU   3          1HB       LEU   3   6.644   1.136  -1.251
   16    HG   LEU   3           HG       LEU   3   4.618   0.839  -2.637
   17   1HD1  LEU   3          1HD1      LEU   3   3.986   3.681  -2.860
   18   2HD1  LEU   3          2HD1      LEU   3   3.714   3.077  -1.226
   19   3HD1  LEU   3          3HD1      LEU   3   2.904   2.313  -2.593
   20   1HD2  LEU   3          1HD2      LEU   3   6.330   3.256  -3.308
   21   2HD2  LEU   3          2HD2      LEU   3   5.279   2.436  -4.462
   22   3HD2  LEU   3          3HD2      LEU   3   6.650   1.580  -3.758
   23    H    TRP   4           H        TRP   4   4.623  -1.202  -0.435
   24    HA   TRP   4           HA       TRP   4   2.137  -1.028  -1.942
   25   1HB   TRP   4          2HB       TRP   4   2.422  -3.421  -2.080
   26   2HB   TRP   4          1HB       TRP   4   3.988  -2.662  -2.269
   27    HD1  TRP   4           HD1      TRP   4   3.531  -2.280   1.218
   28    HE1  TRP   4           HE1      TRP   4   4.509  -4.247   2.570
   29    HE3  TRP   4           HE3      TRP   4   3.999  -5.697  -2.497
   30    HZ2  TRP   4           HZ2      TRP   4   5.381  -6.944   2.113
   31    HZ3  TRP   4           HZ3      TRP   4   4.902  -7.967  -2.036
   32    HH2  TRP   4           HH2      TRP   4   5.591  -8.592   0.266
   33    H    ALA   5           H        ALA   5   2.654  -0.529   1.223
   34    HA   ALA   5           HA       ALA   5   0.725  -2.290   2.414
   35   1HB   ALA   5          1HB       ALA   5   2.464  -1.383   3.775
   36   2HB   ALA   5          2HB       ALA   5   1.001  -0.546   4.294
   37   3HB   ALA   5          3HB       ALA   5   2.140   0.259   3.215
   38    H    THR   6           H        THR   6   0.361   0.107   0.189
   39    HA   THR   6           HA       THR   6  -2.279   1.022   1.267
   40    HB   THR   6           HB       THR   6   0.104   2.303   0.219
   41    HG1  THR   6           HG1      THR   6  -0.521   3.612   1.712
   42   1HG2  THR   6          1HG2      THR   6  -2.497   2.823  -1.199
   43   2HG2  THR   6          2HG2      THR   6  -0.881   2.638  -1.882
   44   3HG2  THR   6          3HG2      THR   6  -1.308   4.111  -1.010
   45    H    GLY   7           H        GLY   7  -0.458   0.319  -1.687
   46   1HA   GLY   7          2HA       GLY   7  -2.501   0.446  -3.592
   47   2HA   GLY   7          1HA       GLY   7  -1.148  -0.680  -3.703
   48    H    HIS   8           H        HIS   8  -2.128  -1.800  -0.999
   49    HA   HIS   8           HA       HIS   8  -3.698  -3.964  -2.131
   50   1HB   HIS   8          2HB       HIS   8  -3.316  -4.920  -0.045
   51   2HB   HIS   8          1HB       HIS   8  -1.992  -3.783  -0.125
   52    HD1  HIS   8           HD1      HIS   8  -5.546  -4.002   1.256
   53    HD2  HIS   8           HD2      HIS   8  -1.949  -2.059   1.944
   54    HE1  HIS   8           HE1      HIS   8  -5.859  -2.675   3.395
   55    H    PHE   9           H        PHE   9  -4.450  -1.371   0.175
   56    HA   PHE   9           HA       PHE   9  -7.242  -1.966   0.467
   57   1HB   PHE   9          2HB       PHE   9  -5.332  -0.325   1.538
   58   2HB   PHE   9          1HB       PHE   9  -6.312   0.812   0.660
   59    HD1  PHE   9           HD1      PHE   9  -8.949   0.422   0.921
   60    HD2  PHE   9           HD2      PHE   9  -5.967  -0.836   3.745
   61    HE1  PHE   9           HE1      PHE   9 -10.670   0.348   2.704
   62    HE2  PHE   9           HE2      PHE   9  -7.689  -0.911   5.529
   63    HZ   PHE   9           HZ       PHE   9 -10.039  -0.318   5.008
   64    H    MET  10           H        MET  10  -5.373  -0.429  -1.985
   65    HA   MET  10           HA       MET  10  -7.788   0.827  -3.092
   66   1HB   MET  10          2HB       MET  10  -4.951   1.412  -3.016
   67   2HB   MET  10          1HB       MET  10  -5.525   1.392  -4.684
   68   1HG   MET  10          2HG       MET  10  -7.533   2.769  -3.382
   69   2HG   MET  10          1HG       MET  10  -6.085   3.320  -2.538
   70   1HE   MET  10          1HE       MET  10  -8.169   4.829  -4.165
   71   2HE   MET  10          2HE       MET  10  -7.404   5.854  -5.376
   72   3HE   MET  10          3HE       MET  10  -6.837   5.900  -3.709
   73   1HN   NH2  11          1HN       NH2  11  -6.975  -2.084  -3.005
   74   2HN   NH2  11          2HN       NH2  11  -7.022  -2.575  -4.602
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  11.424   0.200   1.578
    2   2H    GLY   1          2H        GLY   1  11.992   1.523   2.481
    3   3H    GLY   1          3H        GLY   1  10.765   1.742   1.327
    4   1HA   GLY   1          2HA       GLY   1  10.545   0.178   3.843
    5   2HA   GLY   1          1HA       GLY   1   9.812   1.752   3.529
    6    H    ASN   2           H        ASN   2   7.915   0.134   4.157
    7    HA   ASN   2           HA       ASN   2   6.966  -1.544   1.935
    8   1HB   ASN   2          2HB       ASN   2   5.021  -1.812   3.526
    9   2HB   ASN   2          1HB       ASN   2   6.587  -2.226   4.226
   10   1HD2  ASN   2          1HD2      ASN   2   5.013  -1.674   6.230
   11   2HD2  ASN   2          2HD2      ASN   2   5.117  -0.072   6.784
   12    H    LEU   3           H        LEU   3   6.345  -0.314   0.162
   13    HA   LEU   3           HA       LEU   3   4.592   2.055   0.620
   14   1HB   LEU   3          2HB       LEU   3   6.062   2.809  -0.959
   15   2HB   LEU   3          1HB       LEU   3   6.610   1.176  -1.332
   16    HG   LEU   3           HG       LEU   3   4.547   0.830  -2.684
   17   1HD1  LEU   3          1HD1      LEU   3   2.878   2.383  -2.826
   18   2HD1  LEU   3          2HD1      LEU   3   4.002   3.742  -2.788
   19   3HD1  LEU   3          3HD1      LEU   3   3.538   2.939  -1.288
   20   1HD2  LEU   3          1HD2      LEU   3   5.176   2.625  -4.465
   21   2HD2  LEU   3          2HD2      LEU   3   6.407   1.452  -3.994
   22   3HD2  LEU   3          3HD2      LEU   3   6.444   3.085  -3.329
   23    H    TRP   4           H        TRP   4   4.644  -1.237  -0.432
   24    HA   TRP   4           HA       TRP   4   2.185  -1.155  -1.994
   25   1HB   TRP   4          2HB       TRP   4   2.515  -3.558  -2.026
   26   2HB   TRP   4          1HB       TRP   4   4.057  -2.762  -2.255
   27    HD1  TRP   4           HD1      TRP   4   3.553  -2.256   1.223
   28    HE1  TRP   4           HE1      TRP   4   4.615  -4.122   2.652
   29    HE3  TRP   4           HE3      TRP   4   4.216  -5.774  -2.363
   30    HZ2  TRP   4           HZ2      TRP   4   5.618  -6.790   2.297
   31    HZ3  TRP   4           HZ3      TRP   4   5.225  -7.982  -1.816
   32    HH2  TRP   4           HH2      TRP   4   5.923  -8.491   0.512
   33    H    ALA   5           H        ALA   5   2.631  -0.558   1.168
   34    HA   ALA   5           HA       ALA   5   0.705  -2.320   2.367
   35   1HB   ALA   5          1HB       ALA   5   2.657  -0.470   3.147
   36   2HB   ALA   5          2HB       ALA   5   1.596  -1.373   4.228
   37   3HB   ALA   5          3HB       ALA   5   1.139   0.244   3.692
   38    H    THR   6           H        THR   6   0.362   0.018   0.074
   39    HA   THR   6           HA       THR   6  -2.304   0.952   1.070
   40    HB   THR   6           HB       THR   6   0.091   2.188  -0.075
   41    HG1  THR   6           HG1      THR   6  -0.502   3.724   1.267
   42   1HG2  THR   6          1HG2      THR   6  -1.444   4.013  -1.181
   43   2HG2  THR   6          2HG2      THR   6  -2.578   2.672  -1.353
   44   3HG2  THR   6          3HG2      THR   6  -0.983   2.580  -2.101
   45    H    GLY   7           H        GLY   7  -0.419   0.023  -1.777
   46   1HA   GLY   7          2HA       GLY   7  -2.307   0.151  -3.806
   47   2HA   GLY   7          1HA       GLY   7  -1.096  -1.130  -3.721
   48    H    HIS   8           H        HIS   8  -2.277  -1.954  -1.052
   49    HA   HIS   8           HA       HIS   8  -4.128  -3.933  -2.107
   50   1HB   HIS   8          2HB       HIS   8  -3.850  -4.864   0.006
   51   2HB   HIS   8          1HB       HIS   8  -2.385  -3.926  -0.128
   52    HD1  HIS   8           HD1      HIS   8  -5.861  -3.756   1.412
   53    HD2  HIS   8           HD2      HIS   8  -2.113  -2.019   1.775
   54    HE1  HIS   8           HE1      HIS   8  -5.953  -2.312   3.495
   55    H    PHE   9           H        PHE   9  -4.497  -1.198   0.134
   56    HA   PHE   9           HA       PHE   9  -7.424  -1.401   0.140
   57   1HB   PHE   9          2HB       PHE   9  -5.307  -0.413   1.703
   58   2HB   PHE   9          1HB       PHE   9  -6.217   0.985   1.212
   59    HD1  PHE   9           HD1      PHE   9  -7.258   1.552   3.302
   60    HD2  PHE   9           HD2      PHE   9  -7.618  -2.416   1.696
   61    HE1  PHE   9           HE1      PHE   9  -8.997   1.028   4.990
   62    HE2  PHE   9           HE2      PHE   9  -9.358  -2.940   3.384
   63    HZ   PHE   9           HZ       PHE   9 -10.047  -1.218   5.031
   64    H    MET  10           H        MET  10  -5.018   0.050  -1.782
   65    HA   MET  10           HA       MET  10  -6.842   2.208  -2.619
   66   1HB   MET  10          2HB       MET  10  -3.926   1.764  -2.483
   67   2HB   MET  10          1HB       MET  10  -4.464   2.569  -3.958
   68   1HG   MET  10          2HG       MET  10  -5.903   3.808  -1.891
   69   2HG   MET  10          1HG       MET  10  -4.265   3.632  -1.265
   70   1HE   MET  10          1HE       MET  10  -3.743   7.139  -2.195
   71   2HE   MET  10          2HE       MET  10  -4.137   5.925  -0.981
   72   3HE   MET  10          3HE       MET  10  -5.431   6.710  -1.884
   73   1HN   NH2  11          1HN       NH2  11  -6.897  -0.766  -3.221
   74   2HN   NH2  11          2HN       NH2  11  -6.921  -0.843  -4.890
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  10.067   1.677   3.689
    2   2H    GLY   1          2H        GLY   1  11.592   0.936   3.813
    3   3H    GLY   1          3H        GLY   1  10.178  -0.003   3.900
    4   1HA   GLY   1          2HA       GLY   1  10.698   1.610   1.497
    5   2HA   GLY   1          1HA       GLY   1  11.519   0.063   1.706
    6    H    ASN   2           H        ASN   2   8.309   0.705   2.990
    7    HA   ASN   2           HA       ASN   2   7.236  -1.384   1.128
    8   1HB   ASN   2          2HB       ASN   2   6.036  -0.366   3.711
    9   2HB   ASN   2          1HB       ASN   2   5.716  -1.897   2.895
   10   1HD2  ASN   2          1HD2      ASN   2   6.562  -1.858   5.617
   11   2HD2  ASN   2          2HD2      ASN   2   8.125  -2.512   5.708
   12    H    LEU   3           H        LEU   3   6.375  -0.258  -0.618
   13    HA   LEU   3           HA       LEU   3   4.739   2.174  -0.079
   14   1HB   LEU   3          2HB       LEU   3   5.969   2.759  -1.917
   15   2HB   LEU   3          1HB       LEU   3   6.409   1.084  -2.247
   16    HG   LEU   3           HG       LEU   3   4.195   0.706  -3.270
   17   1HD1  LEU   3          1HD1      LEU   3   3.434   2.928  -1.827
   18   2HD1  LEU   3          2HD1      LEU   3   2.490   2.198  -3.125
   19   3HD1  LEU   3          3HD1      LEU   3   3.543   3.571  -3.466
   20   1HD2  LEU   3          1HD2      LEU   3   6.055   2.827  -4.262
   21   2HD2  LEU   3          2HD2      LEU   3   4.533   2.605  -5.125
   22   3HD2  LEU   3          3HD2      LEU   3   5.663   1.259  -4.970
   23    H    TRP   4           H        TRP   4   4.586  -1.179  -1.022
   24    HA   TRP   4           HA       TRP   4   1.897  -1.119  -2.108
   25   1HB   TRP   4          2HB       TRP   4   2.185  -3.488  -2.165
   26   2HB   TRP   4          1HB       TRP   4   3.741  -2.778  -2.533
   27    HD1  TRP   4           HD1      TRP   4   3.777  -2.158   0.889
   28    HE1  TRP   4           HE1      TRP   4   4.768  -4.086   2.285
   29    HE3  TRP   4           HE3      TRP   4   3.453  -5.910  -2.512
   30    HZ2  TRP   4           HZ2      TRP   4   5.343  -6.880   1.982
   31    HZ3  TRP   4           HZ3      TRP   4   4.223  -8.204  -1.951
   32    HH2  TRP   4           HH2      TRP   4   5.166  -8.692   0.293
   33    H    ALA   5           H        ALA   5   2.939  -0.473   0.937
   34    HA   ALA   5           HA       ALA   5   1.233  -2.089   2.542
   35   1HB   ALA   5          1HB       ALA   5   3.184  -0.062   2.821
   36   2HB   ALA   5          2HB       ALA   5   2.434  -0.990   4.119
   37   3HB   ALA   5          3HB       ALA   5   1.737   0.552   3.620
   38    H    THR   6           H        THR   6   0.580   0.267   0.239
   39    HA   THR   6           HA       THR   6  -2.061   0.995   1.460
   40    HB   THR   6           HB       THR   6   0.163   2.435   0.211
   41    HG1  THR   6           HG1      THR   6  -2.136   3.380   1.565
   42   1HG2  THR   6          1HG2      THR   6  -1.096   2.709  -1.754
   43   2HG2  THR   6          2HG2      THR   6  -1.474   4.158  -0.822
   44   3HG2  THR   6          3HG2      THR   6  -2.620   2.818  -0.872
   45    H    GLY   7           H        GLY   7  -0.301   0.244  -1.507
   46   1HA   GLY   7          2HA       GLY   7  -2.354   0.284  -3.403
   47   2HA   GLY   7          1HA       GLY   7  -1.005  -0.850  -3.468
   48    H    HIS   8           H        HIS   8  -1.982  -1.835  -0.706
   49    HA   HIS   8           HA       HIS   8  -3.445  -4.113  -1.645
   50   1HB   HIS   8          2HB       HIS   8  -3.265  -4.747   0.586
   51   2HB   HIS   8          1HB       HIS   8  -1.990  -3.558   0.505
   52    HD1  HIS   8           HD1      HIS   8  -5.639  -3.882   1.551
   53    HD2  HIS   8           HD2      HIS   8  -2.327  -1.484   2.222
   54    HE1  HIS   8           HE1      HIS   8  -6.293  -2.280   3.404
   55    H    PHE   9           H        PHE   9  -4.490  -1.241   0.158
   56    HA   PHE   9           HA       PHE   9  -7.316  -1.921   0.075
   57   1HB   PHE   9          2HB       PHE   9  -5.492  -0.200   1.348
   58   2HB   PHE   9          1HB       PHE   9  -6.625   0.834   0.530
   59    HD1  PHE   9           HD1      PHE   9  -8.961  -1.216   0.638
   60    HD2  PHE   9           HD2      PHE   9  -6.271   0.329   3.609
   61    HE1  PHE   9           HE1      PHE   9 -10.650  -1.660   2.398
   62    HE2  PHE   9           HE2      PHE   9  -7.960  -0.115   5.369
   63    HZ   PHE   9           HZ       PHE   9 -10.150  -1.110   4.764
   64    H    MET  10           H        MET  10  -5.112  -0.631  -2.155
   65    HA   MET  10           HA       MET  10  -7.221   0.919  -3.517
   66   1HB   MET  10          2HB       MET  10  -4.395   1.207  -3.085
   67   2HB   MET  10          1HB       MET  10  -4.688   1.088  -4.821
   68   1HG   MET  10          2HG       MET  10  -5.230   3.280  -4.745
   69   2HG   MET  10          1HG       MET  10  -6.712   2.776  -3.933
   70   1HE   MET  10          1HE       MET  10  -6.642   4.052  -0.598
   71   2HE   MET  10          2HE       MET  10  -7.341   2.990  -1.816
   72   3HE   MET  10          3HE       MET  10  -7.207   4.717  -2.136
   73   1HN   NH2  11          1HN       NH2  11  -6.772  -2.081  -3.330
   74   2HN   NH2  11          2HN       NH2  11  -6.726  -2.582  -4.925
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  12.037   0.223   3.613
    2   2H    GLY   1          2H        GLY   1  10.485  -0.440   3.798
    3   3H    GLY   1          3H        GLY   1  10.731   1.225   4.025
    4   1HA   GLY   1          2HA       GLY   1  10.625   1.687   1.855
    5   2HA   GLY   1          1HA       GLY   1  11.573   0.257   1.442
    6    H    ASN   2           H        ASN   2   8.476   0.592   3.192
    7    HA   ASN   2           HA       ASN   2   7.323  -1.435   1.314
    8   1HB   ASN   2          2HB       ASN   2   5.627  -1.603   3.226
    9   2HB   ASN   2          1HB       ASN   2   7.267  -2.139   3.594
   10   1HD2  ASN   2          1HD2      ASN   2   4.767  -0.072   4.650
   11   2HD2  ASN   2          2HD2      ASN   2   5.680   0.883   5.715
   12    H    LEU   3           H        LEU   3   6.470  -0.197  -0.361
   13    HA   LEU   3           HA       LEU   3   4.696   2.096   0.352
   14   1HB   LEU   3          2HB       LEU   3   5.953   2.960  -1.351
   15   2HB   LEU   3          1HB       LEU   3   6.530   1.366  -1.831
   16    HG   LEU   3           HG       LEU   3   4.344   0.958  -2.961
   17   1HD1  LEU   3          1HD1      LEU   3   3.390   2.972  -1.416
   18   2HD1  LEU   3          2HD1      LEU   3   2.620   2.467  -2.920
   19   3HD1  LEU   3          3HD1      LEU   3   3.702   3.860  -2.907
   20   1HD2  LEU   3          1HD2      LEU   3   5.931   1.652  -4.513
   21   2HD2  LEU   3          2HD2      LEU   3   6.163   3.216  -3.730
   22   3HD2  LEU   3          3HD2      LEU   3   4.722   2.922  -4.703
   23    H    TRP   4           H        TRP   4   4.769  -1.171  -0.765
   24    HA   TRP   4           HA       TRP   4   2.174  -1.159  -2.086
   25   1HB   TRP   4          2HB       TRP   4   2.577  -3.540  -2.199
   26   2HB   TRP   4          1HB       TRP   4   4.079  -2.700  -2.526
   27    HD1  TRP   4           HD1      TRP   4   3.876  -2.250   0.970
   28    HE1  TRP   4           HE1      TRP   4   5.064  -4.123   2.287
   29    HE3  TRP   4           HE3      TRP   4   4.234  -5.741  -2.686
   30    HZ2  TRP   4           HZ2      TRP   4   6.040  -6.784   1.827
   31    HZ3  TRP   4           HZ3      TRP   4   5.294  -7.949  -2.243
   32    HH2  TRP   4           HH2      TRP   4   6.194  -8.471   0.010
   33    H    ALA   5           H        ALA   5   2.915  -0.596   1.033
   34    HA   ALA   5           HA       ALA   5   1.147  -2.412   2.379
   35   1HB   ALA   5          1HB       ALA   5   2.791  -1.509   3.756
   36   2HB   ALA   5          2HB       ALA   5   1.457  -0.416   4.125
   37   3HB   ALA   5          3HB       ALA   5   2.706   0.073   2.979
   38    H    THR   6           H        THR   6   0.571  -0.018   0.181
   39    HA   THR   6           HA       THR   6  -2.028   0.838   1.407
   40    HB   THR   6           HB       THR   6   0.208   2.125  -0.045
   41    HG1  THR   6           HG1      THR   6  -0.714   2.433   2.193
   42   1HG2  THR   6          1HG2      THR   6  -1.203   2.620  -1.813
   43   2HG2  THR   6          2HG2      THR   6  -1.548   3.975  -0.738
   44   3HG2  THR   6          3HG2      THR   6  -2.648   2.599  -0.803
   45    H    GLY   7           H        GLY   7  -0.345  -0.209  -1.508
   46   1HA   GLY   7          2HA       GLY   7  -2.362  -0.051  -3.436
   47   2HA   GLY   7          1HA       GLY   7  -1.147  -1.329  -3.416
   48    H    HIS   8           H        HIS   8  -2.241  -2.053  -0.627
   49    HA   HIS   8           HA       HIS   8  -3.954  -4.191  -1.465
   50   1HB   HIS   8          2HB       HIS   8  -3.837  -4.744   0.790
   51   2HB   HIS   8          1HB       HIS   8  -2.435  -3.716   0.654
   52    HD1  HIS   8           HD1      HIS   8  -6.043  -3.665   1.834
   53    HD2  HIS   8           HD2      HIS   8  -2.551  -1.462   2.185
   54    HE1  HIS   8           HE1      HIS   8  -6.488  -1.915   3.615
   55    H    PHE   9           H        PHE   9  -4.676  -1.154   0.225
   56    HA   PHE   9           HA       PHE   9  -7.580  -1.544  -0.031
   57   1HB   PHE   9          2HB       PHE   9  -5.701  -0.226   1.590
   58   2HB   PHE   9          1HB       PHE   9  -6.618   1.034   0.819
   59    HD1  PHE   9           HD1      PHE   9  -7.877  -2.361   1.624
   60    HD2  PHE   9           HD2      PHE   9  -7.932   1.802   2.683
   61    HE1  PHE   9           HE1      PHE   9  -9.770  -2.779   3.171
   62    HE2  PHE   9           HE2      PHE   9  -9.825   1.383   4.231
   63    HZ   PHE   9           HZ       PHE   9 -10.743  -0.907   4.474
   64    H    MET  10           H        MET  10  -5.050  -0.261  -1.895
   65    HA   MET  10           HA       MET  10  -6.855   1.666  -3.210
   66   1HB   MET  10          2HB       MET  10  -4.109   1.651  -2.465
   67   2HB   MET  10          1HB       MET  10  -4.160   1.646  -4.228
   68   1HG   MET  10          2HG       MET  10  -5.895   3.540  -4.006
   69   2HG   MET  10          1HG       MET  10  -5.358   3.666  -2.331
   70   1HE   MET  10          1HE       MET  10  -5.185   5.965  -3.034
   71   2HE   MET  10          2HE       MET  10  -3.705   6.717  -3.627
   72   3HE   MET  10          3HE       MET  10  -3.709   5.913  -2.060
   73   1HN   NH2  11          1HN       NH2  11  -6.729  -1.365  -3.377
   74   2HN   NH2  11          2HN       NH2  11  -6.582  -1.673  -5.013
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   9.991   4.780   1.011
    2   2H    GLY   1          2H        GLY   1   8.531   5.649   1.007
    3   3H    GLY   1          3H        GLY   1   8.662   4.197   0.133
    4   1HA   GLY   1          2HA       GLY   1   9.350   3.496   2.686
    5   2HA   GLY   1          1HA       GLY   1   7.991   4.605   2.873
    6    H    ASN   2           H        ASN   2   6.524   2.934   3.464
    7    HA   ASN   2           HA       ASN   2   6.130   0.533   1.892
    8   1HB   ASN   2          2HB       ASN   2   4.069   1.890   3.632
    9   2HB   ASN   2          1HB       ASN   2   4.343   0.164   3.398
   10   1HD2  ASN   2          1HD2      ASN   2   4.294   1.377   6.019
   11   2HD2  ASN   2          2HD2      ASN   2   5.850   1.246   6.684
   12    H    LEU   3           H        LEU   3   5.552   0.798  -0.245
   13    HA   LEU   3           HA       LEU   3   3.381   2.759  -0.883
   14   1HB   LEU   3          2HB       LEU   3   4.375   2.944  -3.006
   15   2HB   LEU   3          1HB       LEU   3   5.781   2.684  -1.979
   16    HG   LEU   3           HG       LEU   3   4.339   0.393  -3.336
   17   1HD1  LEU   3          1HD1      LEU   3   5.142   1.138  -5.301
   18   2HD1  LEU   3          2HD1      LEU   3   6.761   0.860  -4.660
   19   3HD1  LEU   3          3HD1      LEU   3   6.016   2.451  -4.512
   20   1HD2  LEU   3          1HD2      LEU   3   6.744   0.777  -1.661
   21   2HD2  LEU   3          2HD2      LEU   3   6.975  -0.258  -3.070
   22   3HD2  LEU   3          3HD2      LEU   3   5.740  -0.657  -1.877
   23    H    TRP   4           H        TRP   4   4.300  -0.565  -0.745
   24    HA   TRP   4           HA       TRP   4   1.971  -1.480  -2.316
   25   1HB   TRP   4          2HB       TRP   4   3.150  -3.448  -2.425
   26   2HB   TRP   4          1HB       TRP   4   4.481  -2.360  -2.125
   27    HD1  TRP   4           HD1      TRP   4   3.809  -2.047   1.038
   28    HE1  TRP   4           HE1      TRP   4   4.456  -3.985   2.609
   29    HE3  TRP   4           HE3      TRP   4   4.142  -5.824  -2.358
   30    HZ2  TRP   4           HZ2      TRP   4   5.039  -6.781   2.434
   31    HZ3  TRP   4           HZ3      TRP   4   4.744  -8.117  -1.636
   32    HH2  TRP   4           HH2      TRP   4   5.193  -8.600   0.753
   33    H    ALA   5           H        ALA   5   2.729  -0.552   0.826
   34    HA   ALA   5           HA       ALA   5   0.988  -2.415   2.209
   35   1HB   ALA   5          1HB       ALA   5   2.143   0.243   3.100
   36   2HB   ALA   5          2HB       ALA   5   3.047  -1.271   3.135
   37   3HB   ALA   5          3HB       ALA   5   1.612  -1.078   4.140
   38    H    THR   6           H        THR   6   0.465  -0.004   0.066
   39    HA   THR   6           HA       THR   6  -2.067   0.958   1.345
   40    HB   THR   6           HB       THR   6   0.263   2.231   0.424
   41    HG1  THR   6           HG1      THR   6  -2.263   2.991   1.314
   42   1HG2  THR   6          1HG2      THR   6  -0.338   2.218  -1.862
   43   2HG2  THR   6          2HG2      THR   6  -0.768   3.827  -1.286
   44   3HG2  THR   6          3HG2      THR   6  -2.022   2.607  -1.504
   45    H    GLY   7           H        GLY   7  -0.458   0.355  -1.724
   46   1HA   GLY   7          2HA       GLY   7  -2.548   0.480  -3.539
   47   2HA   GLY   7          1HA       GLY   7  -1.249  -0.706  -3.683
   48    H    HIS   8           H        HIS   8  -2.109  -1.829  -0.985
   49    HA   HIS   8           HA       HIS   8  -3.795  -3.928  -1.991
   50   1HB   HIS   8          2HB       HIS   8  -3.472  -4.795   0.140
   51   2HB   HIS   8          1HB       HIS   8  -2.120  -3.695   0.041
   52    HD1  HIS   8           HD1      HIS   8  -5.730  -3.704   1.301
   53    HD2  HIS   8           HD2      HIS   8  -2.051  -1.963   2.102
   54    HE1  HIS   8           HE1      HIS   8  -6.043  -2.331   3.409
   55    H    PHE   9           H        PHE   9  -4.489  -1.205   0.181
   56    HA   PHE   9           HA       PHE   9  -7.378  -1.694   0.159
   57   1HB   PHE   9          2HB       PHE   9  -5.445  -0.427   1.712
   58   2HB   PHE   9          1HB       PHE   9  -6.380   0.882   1.053
   59    HD1  PHE   9           HD1      PHE   9  -8.957  -0.897   0.766
   60    HD2  PHE   9           HD2      PHE   9  -6.276  -0.049   4.013
   61    HE1  PHE   9           HE1      PHE   9 -10.776  -1.354   2.385
   62    HE2  PHE   9           HE2      PHE   9  -8.097  -0.507   5.634
   63    HZ   PHE   9           HZ       PHE   9 -10.347  -1.158   4.820
   64    H    MET  10           H        MET  10  -5.084  -0.024  -1.763
   65    HA   MET  10           HA       MET  10  -7.161   1.782  -2.807
   66   1HB   MET  10          2HB       MET  10  -4.155   1.684  -2.823
   67   2HB   MET  10          1HB       MET  10  -4.996   2.667  -4.021
   68   1HG   MET  10          2HG       MET  10  -6.319   3.464  -1.814
   69   2HG   MET  10          1HG       MET  10  -4.769   3.052  -1.080
   70   1HE   MET  10          1HE       MET  10  -5.902   6.805  -3.085
   71   2HE   MET  10          2HE       MET  10  -6.596   5.829  -1.792
   72   3HE   MET  10          3HE       MET  10  -6.758   5.303  -3.466
   73   1HN   NH2  11          1HN       NH2  11  -6.754  -1.194  -3.225
   74   2HN   NH2  11          2HN       NH2  11  -6.686  -1.368  -4.885
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1   9.799   3.822   4.141
    2   2H    GLY   1          2H        GLY   1   8.525   2.736   4.430
    3   3H    GLY   1          3H        GLY   1   8.335   4.388   4.785
    4   1HA   GLY   1          2HA       GLY   1   7.729   4.886   2.721
    5   2HA   GLY   1          1HA       GLY   1   9.077   3.961   2.058
    6    H    ASN   2           H        ASN   2   5.701   3.889   2.869
    7    HA   ASN   2           HA       ASN   2   5.509   0.999   2.129
    8   1HB   ASN   2          2HB       ASN   2   3.302   2.818   3.094
    9   2HB   ASN   2          1HB       ASN   2   3.428   1.068   3.253
   10   1HD2  ASN   2          1HD2      ASN   2   2.972   2.584   5.579
   11   2HD2  ASN   2          2HD2      ASN   2   4.367   2.574   6.545
   12    H    LEU   3           H        LEU   3   5.468   0.890  -0.093
   13    HA   LEU   3           HA       LEU   3   3.652   2.745  -1.592
   14   1HB   LEU   3          2HB       LEU   3   5.574   0.872  -2.921
   15   2HB   LEU   3          1HB       LEU   3   5.158   2.531  -3.350
   16    HG   LEU   3           HG       LEU   3   6.887   1.658  -1.018
   17   1HD1  LEU   3          1HD1      LEU   3   7.507   3.175  -3.580
   18   2HD1  LEU   3          2HD1      LEU   3   8.033   1.538  -3.190
   19   3HD1  LEU   3          3HD1      LEU   3   8.651   2.905  -2.264
   20   1HD2  LEU   3          1HD2      LEU   3   6.415   4.501  -1.916
   21   2HD2  LEU   3          2HD2      LEU   3   7.001   3.917  -0.358
   22   3HD2  LEU   3          3HD2      LEU   3   5.302   3.725  -0.789
   23    H    TRP   4           H        TRP   4   4.238  -0.507  -0.607
   24    HA   TRP   4           HA       TRP   4   2.084  -1.532  -2.394
   25   1HB   TRP   4          2HB       TRP   4   3.291  -3.470  -2.412
   26   2HB   TRP   4          1HB       TRP   4   4.603  -2.383  -2.058
   27    HD1  TRP   4           HD1      TRP   4   3.890  -1.986   1.039
   28    HE1  TRP   4           HE1      TRP   4   4.382  -3.903   2.688
   29    HE3  TRP   4           HE3      TRP   4   4.088  -5.877  -2.226
   30    HZ2  TRP   4           HZ2      TRP   4   4.806  -6.735   2.616
   31    HZ3  TRP   4           HZ3      TRP   4   4.537  -8.179  -1.421
   32    HH2  TRP   4           HH2      TRP   4   4.897  -8.612   0.995
   33    H    ALA   5           H        ALA   5   2.801  -0.550   0.766
   34    HA   ALA   5           HA       ALA   5   1.016  -2.382   2.121
   35   1HB   ALA   5          1HB       ALA   5   1.970  -1.449   3.979
   36   2HB   ALA   5          2HB       ALA   5   1.749   0.193   3.373
   37   3HB   ALA   5          3HB       ALA   5   3.114  -0.775   2.819
   38    H    THR   6           H        THR   6   0.538   0.053  -0.030
   39    HA   THR   6           HA       THR   6  -2.017   0.977   1.241
   40    HB   THR   6           HB       THR   6   0.235   2.282  -0.204
   41    HG1  THR   6           HG1      THR   6  -1.589   3.015   1.832
   42   1HG2  THR   6          1HG2      THR   6  -2.622   3.268  -0.426
   43   2HG2  THR   6          2HG2      THR   6  -1.609   2.711  -1.759
   44   3HG2  THR   6          3HG2      THR   6  -1.190   4.188  -0.891
   45    H    GLY   7           H        GLY   7  -0.399   0.147  -1.799
   46   1HA   GLY   7          2HA       GLY   7  -2.541   0.454  -3.592
   47   2HA   GLY   7          1HA       GLY   7  -1.266  -0.748  -3.791
   48    H    HIS   8           H        HIS   8  -2.189  -1.801  -1.017
   49    HA   HIS   8           HA       HIS   8  -3.857  -3.919  -2.041
   50   1HB   HIS   8          2HB       HIS   8  -3.537  -4.782   0.093
   51   2HB   HIS   8          1HB       HIS   8  -2.176  -3.696  -0.017
   52    HD1  HIS   8           HD1      HIS   8  -5.635  -3.981   1.510
   53    HD2  HIS   8           HD2      HIS   8  -2.223  -1.650   1.779
   54    HE1  HIS   8           HE1      HIS   8  -5.951  -2.503   3.548
   55    H    PHE   9           H        PHE   9  -4.556  -1.195   0.134
   56    HA   PHE   9           HA       PHE   9  -7.430  -1.710   0.149
   57   1HB   PHE   9          2HB       PHE   9  -5.451  -0.354   1.600
   58   2HB   PHE   9          1HB       PHE   9  -6.510   0.888   1.000
   59    HD1  PHE   9           HD1      PHE   9  -7.645   1.510   3.025
   60    HD2  PHE   9           HD2      PHE   9  -7.490  -2.602   1.793
   61    HE1  PHE   9           HE1      PHE   9  -9.320   0.928   4.758
   62    HE2  PHE   9           HE2      PHE   9  -9.166  -3.184   3.526
   63    HZ   PHE   9           HZ       PHE   9 -10.081  -1.419   5.007
   64    H    MET  10           H        MET  10  -5.228  -0.138  -1.919
   65    HA   MET  10           HA       MET  10  -7.331   1.671  -2.921
   66   1HB   MET  10          2HB       MET  10  -4.653   2.059  -2.354
   67   2HB   MET  10          1HB       MET  10  -4.636   1.801  -4.100
   68   1HG   MET  10          2HG       MET  10  -6.127   3.619  -4.488
   69   2HG   MET  10          1HG       MET  10  -6.559   3.724  -2.781
   70   1HE   MET  10          1HE       MET  10  -5.660   5.496  -5.091
   71   2HE   MET  10          2HE       MET  10  -3.938   5.405  -5.449
   72   3HE   MET  10          3HE       MET  10  -4.556   6.731  -4.468
   73   1HN   NH2  11          1HN       NH2  11  -6.977  -1.315  -3.265
   74   2HN   NH2  11          2HN       NH2  11  -6.973  -1.540  -4.923
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   9.693  -0.470   5.587
    2   2H    GLY   1          2H        GLY   1  11.271   0.144   5.445
    3   3H    GLY   1          3H        GLY   1  10.830  -1.273   4.618
    4   1HA   GLY   1          2HA       GLY   1   9.736   1.441   4.112
    5   2HA   GLY   1          1HA       GLY   1  10.916   0.604   3.103
    6    H    ASN   2           H        ASN   2   7.589   0.415   4.324
    7    HA   ASN   2           HA       ASN   2   6.941  -1.530   2.141
    8   1HB   ASN   2          2HB       ASN   2   5.351  -0.697   4.586
    9   2HB   ASN   2          1HB       ASN   2   5.033  -2.080   3.539
   10   1HD2  ASN   2          1HD2      ASN   2   5.318  -2.932   6.035
   11   2HD2  ASN   2          2HD2      ASN   2   6.870  -3.536   6.365
   12    H    LEU   3           H        LEU   3   6.399  -0.311   0.341
   13    HA   LEU   3           HA       LEU   3   4.673   2.091   0.695
   14   1HB   LEU   3          2HB       LEU   3   6.210   2.767  -0.857
   15   2HB   LEU   3          1HB       LEU   3   6.720   1.111  -1.179
   16    HG   LEU   3           HG       LEU   3   4.730   0.785  -2.609
   17   1HD1  LEU   3          1HD1      LEU   3   2.985   2.202  -2.496
   18   2HD1  LEU   3          2HD1      LEU   3   4.014   3.550  -2.980
   19   3HD1  LEU   3          3HD1      LEU   3   3.854   3.131  -1.274
   20   1HD2  LEU   3          1HD2      LEU   3   5.774   1.691  -4.430
   21   2HD2  LEU   3          2HD2      LEU   3   7.027   2.104  -3.258
   22   3HD2  LEU   3          3HD2      LEU   3   5.820   3.306  -3.720
   23    H    TRP   4           H        TRP   4   4.704  -1.208  -0.421
   24    HA   TRP   4           HA       TRP   4   2.231  -1.052  -1.952
   25   1HB   TRP   4          2HB       TRP   4   2.551  -3.443  -2.108
   26   2HB   TRP   4          1HB       TRP   4   4.103  -2.656  -2.289
   27    HD1  TRP   4           HD1      TRP   4   3.597  -2.333   1.215
   28    HE1  TRP   4           HE1      TRP   4   4.624  -4.293   2.539
   29    HE3  TRP   4           HE3      TRP   4   4.218  -5.659  -2.560
   30    HZ2  TRP   4           HZ2      TRP   4   5.587  -6.951   2.040
   31    HZ3  TRP   4           HZ3      TRP   4   5.190  -7.908  -2.132
   32    HH2  TRP   4           HH2      TRP   4   5.873  -8.556   0.165
   33    H    ALA   5           H        ALA   5   2.698  -0.561   1.213
   34    HA   ALA   5           HA       ALA   5   0.762  -2.365   2.355
   35   1HB   ALA   5          1HB       ALA   5   2.638  -0.292   3.155
   36   2HB   ALA   5          2HB       ALA   5   2.006  -1.637   4.105
   37   3HB   ALA   5          3HB       ALA   5   1.107  -0.123   4.014
   38    H    THR   6           H        THR   6   0.382  -0.005   0.146
   39    HA   THR   6           HA       THR   6  -2.199   1.004   1.274
   40    HB   THR   6           HB       THR   6   0.188   2.204   0.148
   41    HG1  THR   6           HG1      THR   6  -0.408   3.332   1.796
   42   1HG2  THR   6          1HG2      THR   6  -2.445   2.891  -1.168
   43   2HG2  THR   6          2HG2      THR   6  -0.943   2.399  -1.951
   44   3HG2  THR   6          3HG2      THR   6  -1.055   3.978  -1.174
   45    H    GLY   7           H        GLY   7  -0.479   0.212  -1.719
   46   1HA   GLY   7          2HA       GLY   7  -2.560   0.336  -3.575
   47   2HA   GLY   7          1HA       GLY   7  -1.245  -0.835  -3.685
   48    H    HIS   8           H        HIS   8  -2.171  -1.869  -0.941
   49    HA   HIS   8           HA       HIS   8  -3.800  -4.030  -1.943
   50   1HB   HIS   8          2HB       HIS   8  -3.485  -4.858   0.208
   51   2HB   HIS   8          1HB       HIS   8  -2.131  -3.762   0.076
   52    HD1  HIS   8           HD1      HIS   8  -5.726  -3.747   1.381
   53    HD2  HIS   8           HD2      HIS   8  -2.045  -1.969   2.069
   54    HE1  HIS   8           HE1      HIS   8  -6.009  -2.320   3.459
   55    H    PHE   9           H        PHE   9  -4.559  -1.289   0.188
   56    HA   PHE   9           HA       PHE   9  -7.405  -1.831   0.307
   57   1HB   PHE   9          2HB       PHE   9  -5.476  -0.285   1.551
   58   2HB   PHE   9          1HB       PHE   9  -6.452   0.893   0.723
   59    HD1  PHE   9           HD1      PHE   9  -7.646   1.892   2.534
   60    HD2  PHE   9           HD2      PHE   9  -7.596  -2.379   2.075
   61    HE1  PHE   9           HE1      PHE   9  -9.400   1.683   4.274
   62    HE2  PHE   9           HE2      PHE   9  -9.350  -2.587   3.814
   63    HZ   PHE   9           HZ       PHE   9 -10.253  -0.556   4.914
   64    H    MET  10           H        MET  10  -5.302  -0.409  -1.984
   65    HA   MET  10           HA       MET  10  -7.501   1.141  -3.173
   66   1HB   MET  10          2HB       MET  10  -4.518   1.177  -3.236
   67   2HB   MET  10          1HB       MET  10  -5.354   1.743  -4.683
   68   1HG   MET  10          2HG       MET  10  -6.613   2.845  -2.329
   69   2HG   MET  10          1HG       MET  10  -4.884   3.196  -2.308
   70   1HE   MET  10          1HE       MET  10  -7.966   5.285  -3.433
   71   2HE   MET  10          2HE       MET  10  -8.144   3.532  -3.458
   72   3HE   MET  10          3HE       MET  10  -8.220   4.441  -4.967
   73   1HN   NH2  11          1HN       NH2  11  -6.994  -1.859  -3.130
   74   2HN   NH2  11          2HN       NH2  11  -7.032  -2.296  -4.742
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  10.236   1.728   2.007
    2   2H    GLY   1          2H        GLY   1  11.423   1.858   3.217
    3   3H    GLY   1          3H        GLY   1   9.776   1.891   3.631
    4   1HA   GLY   1          2HA       GLY   1  11.381  -0.404   2.672
    5   2HA   GLY   1          1HA       GLY   1  10.489  -0.257   4.187
    6    H    ASN   2           H        ASN   2   8.092  -0.100   4.005
    7    HA   ASN   2           HA       ASN   2   7.116  -1.814   1.762
    8   1HB   ASN   2          2HB       ASN   2   6.078  -1.084   4.511
    9   2HB   ASN   2          1HB       ASN   2   5.163  -2.061   3.363
   10   1HD2  ASN   2          1HD2      ASN   2   5.331  -3.930   4.851
   11   2HD2  ASN   2          2HD2      ASN   2   6.785  -4.797   4.976
   12    H    LEU   3           H        LEU   3   6.514  -0.444   0.081
   13    HA   LEU   3           HA       LEU   3   4.935   2.000   0.724
   14   1HB   LEU   3          2HB       LEU   3   6.386   2.721  -0.893
   15   2HB   LEU   3          1HB       LEU   3   6.790   1.072  -1.366
   16    HG   LEU   3           HG       LEU   3   4.659   0.935  -2.632
   17   1HD1  LEU   3          1HD1      LEU   3   4.288   3.875  -2.557
   18   2HD1  LEU   3          2HD1      LEU   3   3.845   3.020  -1.080
   19   3HD1  LEU   3          3HD1      LEU   3   3.083   2.590  -2.611
   20   1HD2  LEU   3          1HD2      LEU   3   5.326   2.902  -4.285
   21   2HD2  LEU   3          2HD2      LEU   3   6.385   1.506  -4.080
   22   3HD2  LEU   3          3HD2      LEU   3   6.738   3.012  -3.233
   23    H    TRP   4           H        TRP   4   4.718  -1.229  -0.498
   24    HA   TRP   4           HA       TRP   4   2.189  -0.899  -1.912
   25   1HB   TRP   4          2HB       TRP   4   2.374  -3.296  -2.140
   26   2HB   TRP   4          1HB       TRP   4   3.962  -2.592  -2.365
   27    HD1  TRP   4           HD1      TRP   4   3.653  -2.298   1.144
   28    HE1  TRP   4           HE1      TRP   4   4.592  -4.344   2.404
   29    HE3  TRP   4           HE3      TRP   4   3.835  -5.620  -2.680
   30    HZ2  TRP   4           HZ2      TRP   4   5.324  -7.062   1.838
   31    HZ3  TRP   4           HZ3      TRP   4   4.653  -7.940  -2.317
   32    HH2  TRP   4           HH2      TRP   4   5.395  -8.663  -0.060
   33    H    ALA   5           H        ALA   5   2.807  -0.494   1.235
   34    HA   ALA   5           HA       ALA   5   0.920  -2.250   2.481
   35   1HB   ALA   5          1HB       ALA   5   2.885  -1.047   3.528
   36   2HB   ALA   5          2HB       ALA   5   1.377  -0.869   4.424
   37   3HB   ALA   5          3HB       ALA   5   1.957   0.447   3.403
   38    H    THR   6           H        THR   6   0.463   0.151   0.265
   39    HA   THR   6           HA       THR   6  -2.161   1.037   1.402
   40    HB   THR   6           HB       THR   6   0.179   2.347   0.279
   41    HG1  THR   6           HG1      THR   6  -2.164   3.605   1.194
   42   1HG2  THR   6          1HG2      THR   6  -0.895   2.493  -1.834
   43   2HG2  THR   6          2HG2      THR   6  -1.172   4.052  -1.059
   44   3HG2  THR   6          3HG2      THR   6  -2.460   2.848  -1.101
   45    H    GLY   7           H        GLY   7  -0.402   0.282  -1.572
   46   1HA   GLY   7          2HA       GLY   7  -2.493   0.316  -3.433
   47   2HA   GLY   7          1HA       GLY   7  -1.122  -0.790  -3.541
   48    H    HIS   8           H        HIS   8  -2.027  -1.831  -0.768
   49    HA   HIS   8           HA       HIS   8  -3.469  -4.121  -1.721
   50   1HB   HIS   8          2HB       HIS   8  -3.218  -4.805   0.482
   51   2HB   HIS   8          1HB       HIS   8  -1.969  -3.593   0.403
   52    HD1  HIS   8           HD1      HIS   8  -5.383  -4.282   1.829
   53    HD2  HIS   8           HD2      HIS   8  -2.496  -1.320   1.881
   54    HE1  HIS   8           HE1      HIS   8  -6.063  -2.670   3.666
   55    H    PHE   9           H        PHE   9  -4.522  -1.311   0.171
   56    HA   PHE   9           HA       PHE   9  -7.304  -2.013   0.303
   57   1HB   PHE   9          2HB       PHE   9  -5.481  -0.112   1.228
   58   2HB   PHE   9          1HB       PHE   9  -6.638   0.804   0.309
   59    HD1  PHE   9           HD1      PHE   9  -7.334  -2.356   2.131
   60    HD2  PHE   9           HD2      PHE   9  -7.823   1.912   2.077
   61    HE1  PHE   9           HE1      PHE   9  -8.963  -2.519   3.991
   62    HE2  PHE   9           HE2      PHE   9  -9.453   1.747   3.938
   63    HZ   PHE   9           HZ       PHE   9 -10.024  -0.468   4.895
   64    H    MET  10           H        MET  10  -5.325  -0.890  -2.230
   65    HA   MET  10           HA       MET  10  -7.624   0.327  -3.612
   66   1HB   MET  10          2HB       MET  10  -4.837   0.893  -3.408
   67   2HB   MET  10          1HB       MET  10  -5.156   0.441  -5.083
   68   1HG   MET  10          2HG       MET  10  -7.297   2.099  -4.416
   69   2HG   MET  10          1HG       MET  10  -5.905   2.870  -3.654
   70   1HE   MET  10          1HE       MET  10  -6.494   1.640  -7.975
   71   2HE   MET  10          2HE       MET  10  -7.748   2.637  -7.240
   72   3HE   MET  10          3HE       MET  10  -7.307   1.101  -6.499
   73   1HN   NH2  11          1HN       NH2  11  -6.937  -2.593  -3.082
   74   2HN   NH2  11          2HN       NH2  11  -6.974  -3.294  -4.599
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  10.341   0.015   3.728
    2   2H    GLY   1          2H        GLY   1  10.046   1.638   3.316
    3   3H    GLY   1          3H        GLY   1  11.638   1.093   3.552
    4   1HA   GLY   1          2HA       GLY   1  10.959   1.383   1.173
    5   2HA   GLY   1          1HA       GLY   1  11.610  -0.201   1.597
    6    H    ASN   2           H        ASN   2   8.573   0.285   2.999
    7    HA   ASN   2           HA       ASN   2   7.338  -1.561   1.015
    8   1HB   ASN   2          2HB       ASN   2   6.669  -0.632   3.817
    9   2HB   ASN   2          1HB       ASN   2   5.599  -1.673   2.876
   10   1HD2  ASN   2          1HD2      ASN   2   5.871  -3.659   3.987
   11   2HD2  ASN   2          2HD2      ASN   2   7.368  -4.440   4.160
   12    H    LEU   3           H        LEU   3   6.475  -0.362  -0.671
   13    HA   LEU   3           HA       LEU   3   4.919   2.099  -0.020
   14   1HB   LEU   3          2HB       LEU   3   6.149   2.735  -1.842
   15   2HB   LEU   3          1HB       LEU   3   6.550   1.068  -2.246
   16    HG   LEU   3           HG       LEU   3   4.281   0.791  -3.228
   17   1HD1  LEU   3          1HD1      LEU   3   2.680   2.420  -3.143
   18   2HD1  LEU   3          2HD1      LEU   3   3.853   3.723  -3.331
   19   3HD1  LEU   3          3HD1      LEU   3   3.609   2.977  -1.752
   20   1HD2  LEU   3          1HD2      LEU   3   5.617   3.219  -4.440
   21   2HD2  LEU   3          2HD2      LEU   3   4.769   1.913  -5.270
   22   3HD2  LEU   3          3HD2      LEU   3   6.343   1.614  -4.530
   23    H    TRP   4           H        TRP   4   4.671  -1.221  -0.961
   24    HA   TRP   4           HA       TRP   4   2.000  -1.067  -2.110
   25   1HB   TRP   4          2HB       TRP   4   2.229  -3.447  -2.195
   26   2HB   TRP   4          1HB       TRP   4   3.799  -2.763  -2.562
   27    HD1  TRP   4           HD1      TRP   4   3.835  -2.182   0.872
   28    HE1  TRP   4           HE1      TRP   4   4.804  -4.143   2.242
   29    HE3  TRP   4           HE3      TRP   4   3.477  -5.879  -2.586
   30    HZ2  TRP   4           HZ2      TRP   4   5.350  -6.939   1.895
   31    HZ3  TRP   4           HZ3      TRP   4   4.222  -8.191  -2.060
   32    HH2  TRP   4           HH2      TRP   4   5.156  -8.723   0.178
   33    H    ALA   5           H        ALA   5   2.994  -0.442   0.931
   34    HA   ALA   5           HA       ALA   5   1.272  -2.071   2.513
   35   1HB   ALA   5          1HB       ALA   5   2.744  -1.063   3.924
   36   2HB   ALA   5          2HB       ALA   5   1.681   0.342   3.854
   37   3HB   ALA   5          3HB       ALA   5   3.065   0.228   2.767
   38    H    THR   6           H        THR   6   0.631   0.261   0.201
   39    HA   THR   6           HA       THR   6  -1.992   1.052   1.422
   40    HB   THR   6           HB       THR   6   0.242   2.421   0.105
   41    HG1  THR   6           HG1      THR   6  -1.854   2.966   1.850
   42   1HG2  THR   6          1HG2      THR   6  -2.509   2.689  -1.034
   43   2HG2  THR   6          2HG2      THR   6  -0.944   2.778  -1.844
   44   3HG2  THR   6          3HG2      THR   6  -1.517   4.140  -0.882
   45    H    GLY   7           H        GLY   7  -0.262   0.162  -1.520
   46   1HA   GLY   7          2HA       GLY   7  -2.333   0.175  -3.403
   47   2HA   GLY   7          1HA       GLY   7  -0.996  -0.975  -3.445
   48    H    HIS   8           H        HIS   8  -1.971  -1.847  -0.632
   49    HA   HIS   8           HA       HIS   8  -3.456  -4.143  -1.486
   50   1HB   HIS   8          2HB       HIS   8  -3.272  -4.705   0.761
   51   2HB   HIS   8          1HB       HIS   8  -1.992  -3.526   0.641
   52    HD1  HIS   8           HD1      HIS   8  -5.600  -3.869   1.784
   53    HD2  HIS   8           HD2      HIS   8  -2.349  -1.341   2.225
   54    HE1  HIS   8           HE1      HIS   8  -6.241  -2.204   3.586
   55    H    PHE   9           H        PHE   9  -4.476  -1.208   0.235
   56    HA   PHE   9           HA       PHE   9  -7.324  -1.892   0.028
   57   1HB   PHE   9          2HB       PHE   9  -5.594  -0.350   1.586
   58   2HB   PHE   9          1HB       PHE   9  -6.579   0.812   0.746
   59    HD1  PHE   9           HD1      PHE   9  -7.986   1.582   2.531
   60    HD2  PHE   9           HD2      PHE   9  -7.610  -2.621   1.720
   61    HE1  PHE   9           HE1      PHE   9  -9.872   1.114   4.071
   62    HE2  PHE   9           HE2      PHE   9  -9.497  -3.086   3.261
   63    HZ   PHE   9           HZ       PHE   9 -10.628  -1.219   4.436
   64    H    MET  10           H        MET  10  -4.967  -0.351  -1.895
   65    HA   MET  10           HA       MET  10  -7.019   1.254  -3.271
   66   1HB   MET  10          2HB       MET  10  -4.049   1.330  -2.952
   67   2HB   MET  10          1HB       MET  10  -4.720   1.995  -4.441
   68   1HG   MET  10          2HG       MET  10  -5.686   2.786  -1.682
   69   2HG   MET  10          1HG       MET  10  -4.454   3.680  -2.574
   70   1HE   MET  10          1HE       MET  10  -6.071   6.143  -4.242
   71   2HE   MET  10          2HE       MET  10  -4.977   5.547  -2.996
   72   3HE   MET  10          3HE       MET  10  -6.603   6.062  -2.556
   73   1HN   NH2  11          1HN       NH2  11  -6.476  -1.733  -3.331
   74   2HN   NH2  11          2HN       NH2  11  -6.287  -2.077  -4.955
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  10.993   0.000   1.624
    2   2H    GLY   1          2H        GLY   1  11.506   0.259   3.223
    3   3H    GLY   1          3H        GLY   1  11.980   1.329   1.991
    4   1HA   GLY   1          2HA       GLY   1   9.886   1.705   3.659
    5   2HA   GLY   1          1HA       GLY   1  10.105   2.506   2.101
    6    H    ASN   2           H        ASN   2   8.103   0.409   3.871
    7    HA   ASN   2           HA       ASN   2   6.975  -1.223   1.807
    8   1HB   ASN   2          2HB       ASN   2   5.625  -0.045   4.253
    9   2HB   ASN   2          1HB       ASN   2   5.195  -1.540   3.422
   10   1HD2  ASN   2          1HD2      ASN   2   5.616  -2.335   5.809
   11   2HD2  ASN   2          2HD2      ASN   2   7.203  -2.831   6.155
   12    H    LEU   3           H        LEU   3   6.324  -0.197  -0.074
   13    HA   LEU   3           HA       LEU   3   4.616   2.239   0.155
   14   1HB   LEU   3          2HB       LEU   3   6.067   2.804  -1.516
   15   2HB   LEU   3          1HB       LEU   3   6.599   1.136  -1.713
   16    HG   LEU   3           HG       LEU   3   4.533   0.656  -3.009
   17   1HD1  LEU   3          1HD1      LEU   3   3.837   3.390  -3.625
   18   2HD1  LEU   3          2HD1      LEU   3   3.714   3.122  -1.887
   19   3HD1  LEU   3          3HD1      LEU   3   2.806   2.102  -3.003
   20   1HD2  LEU   3          1HD2      LEU   3   6.072   3.043  -4.082
   21   2HD2  LEU   3          2HD2      LEU   3   5.210   1.835  -5.036
   22   3HD2  LEU   3          3HD2      LEU   3   6.653   1.377  -4.131
   23    H    TRP   4           H        TRP   4   4.623  -1.146  -0.629
   24    HA   TRP   4           HA       TRP   4   2.103  -1.137  -2.098
   25   1HB   TRP   4          2HB       TRP   4   2.453  -3.482  -2.143
   26   2HB   TRP   4          1HB       TRP   4   4.046  -2.764  -2.239
   27    HD1  TRP   4           HD1      TRP   4   3.608  -2.155   1.121
   28    HE1  TRP   4           HE1      TRP   4   4.320  -4.099   2.659
   29    HE3  TRP   4           HE3      TRP   4   3.635  -5.944  -2.263
   30    HZ2  TRP   4           HZ2      TRP   4   4.828  -6.916   2.463
   31    HZ3  TRP   4           HZ3      TRP   4   4.231  -8.254  -1.577
   32    HH2  TRP   4           HH2      TRP   4   4.827  -8.743   0.782
   33    H    ALA   5           H        ALA   5   2.741  -0.419   1.023
   34    HA   ALA   5           HA       ALA   5   0.830  -2.068   2.390
   35   1HB   ALA   5          1HB       ALA   5   1.639  -0.932   4.220
   36   2HB   ALA   5          2HB       ALA   5   1.523   0.634   3.416
   37   3HB   ALA   5          3HB       ALA   5   2.888  -0.432   3.080
   38    H    THR   6           H        THR   6   0.464   0.236   0.039
   39    HA   THR   6           HA       THR   6  -2.175   1.195   1.080
   40    HB   THR   6           HB       THR   6   0.211   2.423  -0.053
   41    HG1  THR   6           HG1      THR   6  -0.593   3.190   1.822
   42   1HG2  THR   6          1HG2      THR   6  -0.903   2.643  -2.135
   43   2HG2  THR   6          2HG2      THR   6  -1.146   4.191  -1.325
   44   3HG2  THR   6          3HG2      THR   6  -2.447   3.001  -1.360
   45    H    GLY   7           H        GLY   7  -0.347   0.316  -1.820
   46   1HA   GLY   7          2HA       GLY   7  -2.358   0.395  -3.758
   47   2HA   GLY   7          1HA       GLY   7  -1.037  -0.774  -3.788
   48    H    HIS   8           H        HIS   8  -2.092  -1.719  -1.044
   49    HA   HIS   8           HA       HIS   8  -3.727  -3.877  -2.103
   50   1HB   HIS   8          2HB       HIS   8  -3.357  -4.782   0.005
   51   2HB   HIS   8          1HB       HIS   8  -2.000  -3.693  -0.116
   52    HD1  HIS   8           HD1      HIS   8  -5.488  -3.893   1.398
   53    HD2  HIS   8           HD2      HIS   8  -1.933  -1.803   1.820
   54    HE1  HIS   8           HE1      HIS   8  -5.735  -2.498   3.502
   55    H    PHE   9           H        PHE   9  -4.389  -1.210   0.154
   56    HA   PHE   9           HA       PHE   9  -7.278  -1.720   0.149
   57   1HB   PHE   9          2HB       PHE   9  -5.291  -0.507   1.709
   58   2HB   PHE   9          1HB       PHE   9  -6.323   0.796   1.194
   59    HD1  PHE   9           HD1      PHE   9  -7.494   1.298   3.224
   60    HD2  PHE   9           HD2      PHE   9  -7.346  -2.733   1.745
   61    HE1  PHE   9           HE1      PHE   9  -9.198   0.624   4.893
   62    HE2  PHE   9           HE2      PHE   9  -9.052  -3.407   3.415
   63    HZ   PHE   9           HZ       PHE   9  -9.978  -1.729   4.990
   64    H    MET  10           H        MET  10  -5.050  -0.059  -1.806
   65    HA   MET  10           HA       MET  10  -7.071   1.915  -2.643
   66   1HB   MET  10          2HB       MET  10  -4.325   2.041  -2.156
   67   2HB   MET  10          1HB       MET  10  -4.439   2.018  -3.916
   68   1HG   MET  10          2HG       MET  10  -6.332   3.813  -3.510
   69   2HG   MET  10          1HG       MET  10  -5.495   4.047  -1.976
   70   1HE   MET  10          1HE       MET  10  -5.873   4.239  -5.413
   71   2HE   MET  10          2HE       MET  10  -4.326   4.502  -6.215
   72   3HE   MET  10          3HE       MET  10  -5.236   5.880  -5.601
   73   1HN   NH2  11          1HN       NH2  11  -6.855  -1.070  -3.215
   74   2HN   NH2  11          2HN       NH2  11  -6.920  -1.162  -4.883
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  10.573  -0.484   5.146
    2   2H    GLY   1          2H        GLY   1  11.770   0.119   4.101
    3   3H    GLY   1          3H        GLY   1  10.663  -1.046   3.548
    4   1HA   GLY   1          2HA       GLY   1   9.512   1.410   4.599
    5   2HA   GLY   1          1HA       GLY   1  10.383   1.543   3.071
    6    H    ASN   2           H        ASN   2   7.856  -0.394   4.681
    7    HA   ASN   2           HA       ASN   2   6.874  -1.661   2.289
    8   1HB   ASN   2          2HB       ASN   2   5.676  -1.005   4.994
    9   2HB   ASN   2          1HB       ASN   2   4.857  -2.003   3.792
   10   1HD2  ASN   2          1HD2      ASN   2   5.053  -3.826   5.388
   11   2HD2  ASN   2          2HD2      ASN   2   6.527  -4.658   5.520
   12    H    LEU   3           H        LEU   3   6.309  -0.307   0.595
   13    HA   LEU   3           HA       LEU   3   4.548   2.030   1.182
   14   1HB   LEU   3          2HB       LEU   3   5.520   2.994  -0.692
   15   2HB   LEU   3          1HB       LEU   3   6.822   1.895  -0.253
   16    HG   LEU   3           HG       LEU   3   4.615   1.144  -2.186
   17   1HD1  LEU   3          1HD1      LEU   3   7.110   2.707  -2.571
   18   2HD1  LEU   3          2HD1      LEU   3   5.621   2.715  -3.515
   19   3HD1  LEU   3          3HD1      LEU   3   6.806   1.430  -3.750
   20   1HD2  LEU   3          1HD2      LEU   3   5.556  -0.867  -1.660
   21   2HD2  LEU   3          2HD2      LEU   3   7.057  -0.134  -1.098
   22   3HD2  LEU   3          3HD2      LEU   3   6.773  -0.350  -2.824
   23    H    TRP   4           H        TRP   4   4.622  -1.163  -0.076
   24    HA   TRP   4           HA       TRP   4   2.270  -0.924  -1.793
   25   1HB   TRP   4          2HB       TRP   4   2.618  -3.313  -2.035
   26   2HB   TRP   4          1HB       TRP   4   4.168  -2.500  -2.105
   27    HD1  TRP   4           HD1      TRP   4   3.472  -2.310   1.371
   28    HE1  TRP   4           HE1      TRP   4   4.460  -4.302   2.681
   29    HE3  TRP   4           HE3      TRP   4   4.343  -5.492  -2.476
   30    HZ2  TRP   4           HZ2      TRP   4   5.491  -6.929   2.141
   31    HZ3  TRP   4           HZ3      TRP   4   5.328  -7.743  -2.077
   32    HH2  TRP   4           HH2      TRP   4   5.900  -8.462   0.230
   33    H    ALA   5           H        ALA   5   2.504  -0.547   1.392
   34    HA   ALA   5           HA       ALA   5   0.550  -2.444   2.343
   35   1HB   ALA   5          1HB       ALA   5   0.647  -0.640   4.286
   36   2HB   ALA   5          2HB       ALA   5   2.023  -0.036   3.364
   37   3HB   ALA   5          3HB       ALA   5   2.033  -1.688   3.984
   38    H    THR   6           H        THR   6   0.239  -0.074   0.173
   39    HA   THR   6           HA       THR   6  -2.398   0.931   1.161
   40    HB   THR   6           HB       THR   6   0.008   2.152   0.439
   41    HG1  THR   6           HG1      THR   6  -1.186   4.042   0.777
   42   1HG2  THR   6          1HG2      THR   6  -0.285   2.009  -1.898
   43   2HG2  THR   6          2HG2      THR   6  -0.788   3.646  -1.482
   44   3HG2  THR   6          3HG2      THR   6  -2.001   2.405  -1.791
   45    H    GLY   7           H        GLY   7  -0.524   0.187  -1.725
   46   1HA   GLY   7          2HA       GLY   7  -2.422   0.239  -3.732
   47   2HA   GLY   7          1HA       GLY   7  -1.156  -0.991  -3.684
   48    H    HIS   8           H        HIS   8  -2.255  -1.958  -1.045
   49    HA   HIS   8           HA       HIS   8  -4.010  -3.998  -2.116
   50   1HB   HIS   8          2HB       HIS   8  -3.740  -4.906   0.008
   51   2HB   HIS   8          1HB       HIS   8  -2.323  -3.890  -0.085
   52    HD1  HIS   8           HD1      HIS   8  -5.931  -3.664   1.172
   53    HD2  HIS   8           HD2      HIS   8  -2.138  -2.202   2.003
   54    HE1  HIS   8           HE1      HIS   8  -6.155  -2.281   3.286
   55    H    PHE   9           H        PHE   9  -4.544  -1.257   0.069
   56    HA   PHE   9           HA       PHE   9  -7.409  -1.580   0.253
   57   1HB   PHE   9          2HB       PHE   9  -5.244  -0.099   1.321
   58   2HB   PHE   9          1HB       PHE   9  -6.399   1.056   0.729
   59    HD1  PHE   9           HD1      PHE   9  -5.612   0.338   3.688
   60    HD2  PHE   9           HD2      PHE   9  -8.866  -0.789   1.119
   61    HE1  PHE   9           HE1      PHE   9  -7.039  -0.072   5.674
   62    HE2  PHE   9           HE2      PHE   9 -10.292  -1.198   3.106
   63    HZ   PHE   9           HZ       PHE   9  -9.378  -0.840   5.384
   64    H    MET  10           H        MET  10  -5.365  -0.501  -2.208
   65    HA   MET  10           HA       MET  10  -7.380   1.387  -3.252
   66   1HB   MET  10          2HB       MET  10  -4.559   1.369  -3.098
   67   2HB   MET  10          1HB       MET  10  -4.945   1.134  -4.803
   68   1HG   MET  10          2HG       MET  10  -6.315   3.282  -3.191
   69   2HG   MET  10          1HG       MET  10  -4.741   3.570  -3.933
   70   1HE   MET  10          1HE       MET  10  -5.241   5.348  -5.435
   71   2HE   MET  10          2HE       MET  10  -6.880   5.515  -4.809
   72   3HE   MET  10          3HE       MET  10  -6.609   5.475  -6.549
   73   1HN   NH2  11          1HN       NH2  11  -7.332  -1.662  -3.193
   74   2HN   NH2  11          2HN       NH2  11  -7.569  -2.093  -4.791
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  10.500   1.061  -0.942
    2   2H    GLY   1          2H        GLY   1  12.146   0.880  -0.565
    3   3H    GLY   1          3H        GLY   1  11.220   2.072   0.214
    4   1HA   GLY   1          2HA       GLY   1  11.581  -0.665   0.898
    5   2HA   GLY   1          1HA       GLY   1  10.857   0.636   1.847
    6    H    ASN   2           H        ASN   2   8.898  -0.142   2.503
    7    HA   ASN   2           HA       ASN   2   7.272  -1.863   0.747
    8   1HB   ASN   2          2HB       ASN   2   5.753  -1.763   2.770
    9   2HB   ASN   2          1HB       ASN   2   7.382  -2.345   3.110
   10   1HD2  ASN   2          1HD2      ASN   2   5.158  -0.517   4.565
   11   2HD2  ASN   2          2HD2      ASN   2   6.125   0.687   5.269
   12    H    LEU   3           H        LEU   3   6.403  -0.667  -0.948
   13    HA   LEU   3           HA       LEU   3   5.007   1.890  -0.296
   14   1HB   LEU   3          2HB       LEU   3   6.163   2.433  -2.191
   15   2HB   LEU   3          1HB       LEU   3   6.495   0.742  -2.558
   16    HG   LEU   3           HG       LEU   3   4.171   0.517  -3.438
   17   1HD1  LEU   3          1HD1      LEU   3   3.756   3.394  -3.760
   18   2HD1  LEU   3          2HD1      LEU   3   3.761   2.906  -2.066
   19   3HD1  LEU   3          3HD1      LEU   3   2.633   2.157  -3.195
   20   1HD2  LEU   3          1HD2      LEU   3   4.577   1.716  -5.524
   21   2HD2  LEU   3          2HD2      LEU   3   6.108   1.078  -4.925
   22   3HD2  LEU   3          3HD2      LEU   3   5.724   2.788  -4.721
   23    H    TRP   4           H        TRP   4   4.553  -1.441  -1.088
   24    HA   TRP   4           HA       TRP   4   1.861  -1.214  -2.161
   25   1HB   TRP   4          2HB       TRP   4   1.950  -3.619  -2.046
   26   2HB   TRP   4          1HB       TRP   4   3.517  -3.035  -2.565
   27    HD1  TRP   4           HD1      TRP   4   3.729  -2.199   0.833
   28    HE1  TRP   4           HE1      TRP   4   4.738  -4.079   2.281
   29    HE3  TRP   4           HE3      TRP   4   3.170  -6.099  -2.356
   30    HZ2  TRP   4           HZ2      TRP   4   5.236  -6.900   2.092
   31    HZ3  TRP   4           HZ3      TRP   4   3.910  -8.385  -1.717
   32    HH2  TRP   4           HH2      TRP   4   4.941  -8.787   0.505
   33    H    ALA   5           H        ALA   5   2.979  -0.469   0.821
   34    HA   ALA   5           HA       ALA   5   1.233  -1.887   2.553
   35   1HB   ALA   5          1HB       ALA   5   1.863  -0.098   4.130
   36   2HB   ALA   5          2HB       ALA   5   2.436   0.892   2.788
   37   3HB   ALA   5          3HB       ALA   5   3.273  -0.604   3.199
   38    H    THR   6           H        THR   6   0.662   0.377   0.116
   39    HA   THR   6           HA       THR   6  -1.961   1.234   1.292
   40    HB   THR   6           HB       THR   6   0.302   2.557  -0.028
   41    HG1  THR   6           HG1      THR   6  -0.273   4.072   1.334
   42   1HG2  THR   6          1HG2      THR   6  -2.436   2.826  -1.198
   43   2HG2  THR   6          2HG2      THR   6  -0.863   2.902  -1.991
   44   3HG2  THR   6          3HG2      THR   6  -1.444   4.277  -1.051
   45    H    GLY   7           H        GLY   7  -0.229   0.320  -1.646
   46   1HA   GLY   7          2HA       GLY   7  -2.316   0.317  -3.514
   47   2HA   GLY   7          1HA       GLY   7  -0.969  -0.822  -3.566
   48    H    HIS   8           H        HIS   8  -1.917  -1.702  -0.743
   49    HA   HIS   8           HA       HIS   8  -3.413  -3.993  -1.620
   50   1HB   HIS   8          2HB       HIS   8  -3.147  -4.626   0.593
   51   2HB   HIS   8          1HB       HIS   8  -1.885  -3.430   0.482
   52    HD1  HIS   8           HD1      HIS   8  -5.368  -3.975   1.840
   53    HD2  HIS   8           HD2      HIS   8  -2.293  -1.209   2.042
   54    HE1  HIS   8           HE1      HIS   8  -5.985  -2.374   3.706
   55    H    PHE   9           H        PHE   9  -4.390  -1.123   0.236
   56    HA   PHE   9           HA       PHE   9  -7.249  -1.802  -0.050
   57   1HB   PHE   9          2HB       PHE   9  -5.530  -0.490   1.737
   58   2HB   PHE   9          1HB       PHE   9  -6.549   0.756   1.078
   59    HD1  PHE   9           HD1      PHE   9  -7.223  -2.849   1.824
   60    HD2  PHE   9           HD2      PHE   9  -8.234   1.245   2.645
   61    HE1  PHE   9           HE1      PHE   9  -9.094  -3.601   3.267
   62    HE2  PHE   9           HE2      PHE   9 -10.106   0.492   4.088
   63    HZ   PHE   9           HZ       PHE   9 -10.536  -1.930   4.399
   64    H    MET  10           H        MET  10  -4.848   0.001  -1.680
   65    HA   MET  10           HA       MET  10  -6.872   1.808  -2.834
   66   1HB   MET  10          2HB       MET  10  -4.034   1.936  -2.172
   67   2HB   MET  10          1HB       MET  10  -4.333   2.444  -3.835
   68   1HG   MET  10          2HG       MET  10  -5.018   4.439  -3.051
   69   2HG   MET  10          1HG       MET  10  -6.378   3.621  -2.282
   70   1HE   MET  10          1HE       MET  10  -4.998   6.379  -0.736
   71   2HE   MET  10          2HE       MET  10  -3.981   5.893  -2.089
   72   3HE   MET  10          3HE       MET  10  -3.288   6.010  -0.474
   73   1HN   NH2  11          1HN       NH2  11  -6.327  -1.142  -3.330
   74   2HN   NH2  11          2HN       NH2  11  -6.117  -1.238  -4.985