*HEADER    ION TRANSPORT                           28-JAN-00   1EDW              
*TITLE     SOLUTION STRUCTURE OF THIRD INTRADISKAL LOOP OF BOVINE                
*TITLE    2 RHODOPSIN (RESIDUES 268-293)                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHODOPSIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THIRD INTRADISKAL LOOP (RESIDUES 268-293);                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: BOVINE RHODOPSIN                                      
*KEYWDS    HELIX-TURN-HELIX                                                      
*EXPDTA    NMR                                                                   
*AUTHOR    P.L.YEAGLE, A.SALLOUM, A.CHOPRA, N.BHAWSAR, L.ALI                     
*REVDAT   1   09-AUG-00 1EDW    0                                                
PHE6.H PHE6.HB2 1.80 5.00
ILE23.H ILE23.HB 1.80 5.00
ASP15.H ASP15.HB2 1.80 5.00
ASP15.H ASP15.HB1 1.80 5.00
GLY13.H GLN12.HB1 1.80 5.00
GLY13.H GLN12.HB2 1.80 5.00
GLY13.H GLN12.QG 1.80 5.60
GLN12.H GLN12.QG 1.80 5.60
GLN12.H GLN12.HB2 1.80 5.00
GLN12.H GLN12.HB1 1.80 5.00
GLY17.H PRO18.HB2 1.80 5.00
GLY17.H PRO18.HB1 1.80 5.00
MET21.H MET21.HB1 1.80 5.00
HIS11.H ILE8.HB 1.80 5.00
PHE26.H ILE23.HB 1.80 5.00
MET21.H PRO24.HB2 1.80 5.00
HIS11.H GLN12.QG 1.80 5.60
ALA2.H ALA2.QB 1.80 6.00
ALA25.H ALA25.QB 1.80 6.00
ALA25.H THR22.HB 1.80 5.00
SER14.H SER14.QB 1.80 4.30
ASP15.H SER14.QB 1.80 5.60
GLY13.H GLY13.HA1 1.80 3.70
GLY13.H GLY13.HA2 1.80 5.00
PHE16.H GLY13.HA2 1.80 5.00
SER14.H GLY13.HA1 1.80 3.70
SER14.H GLY13.HA2 1.80 3.70
HIS11.H GLY17.HA2 1.80 5.00
ILE23.H THR22.HB 1.80 5.00
THR22.H THR22.HB 1.80 5.00
GLN12.H HIS11.HB2 1.80 5.00
GLN12.H HIS11.HB1 1.80 5.00
GLY17.H PHE16.HB2 1.80 5.00
PHE9.H PHE9.HB1 1.80 3.70
GLY17.H PHE20.HB1 1.80 5.00
PHE9.H ILE8.QD1 1.80 6.00
PHE20.H ILE19.HD11 1.80 5.00
TYR1.H VAL4.QG1 1.80 6.00
ILE19.H ILE19.HD11 1.80 5.00
ILE23.H ILE23.QD1 1.80 6.00
ILE23.H THR22.HG1 1.80 5.00
ILE23.H ILE23.QG2 1.80 6.00
ILE23.H ILE23.QG1 1.80 5.60
PHE6.H PHE6.HB1 1.80 5.00
HIS11.H ILE8.HG21 1.80 5.00
ALA5.H ALA5.QB 1.80 6.00
THR10.H THR10.HG1 1.80 5.00
PHE6.H ALA5.QB 1.80 6.00
ILE8.H ILE8.HG21 1.80 5.00
THR22.H THR22.HG1 1.80 5.00
THR22.H ILE19.QG2 1.80 6.00
ILE8.H ILE8.HG22 1.80 5.00
PHE6.H ALA2.QB 1.80 6.00
PHE20.H ILE19.HB 1.80 5.00
ILE8.H ILE8.HB 1.80 5.00
ILE19.H ILE19.HB 1.80 5.00
THR22.H PRO18.HB1 1.80 5.00
TYR1.H VAL4.HB 1.80 5.00
PHE16.H GLN12.HB1 1.80 5.00
ILE19.H PRO18.HB2 1.80 5.00
MET21.H MET21.QG 1.80 5.60
TYR7.H TYR7.HB1 1.80 5.00
TYR7.H PHE6.HB1 1.80 5.00
TYR7.H TYR7.HB2 1.80 5.00
TYR7.H PHE6.HB2 1.80 5.00
PHE6.H PHE6.HB2 1.80 5.00
THR10.H PHE9.HB2 1.80 5.00
VAL4.H TYR1.HB2 1.80 3.70
ILE8.H TYR7.HB2 1.80 5.00
ILE8.H PHE6.HB1 1.80 5.00
TYR1.H TYR1.HB1 1.80 5.00
VAL4.H TYR1.HB1 1.80 5.00
HIS11.H HIS11.HB2 1.80 5.00
HIS11.H HIS11.HB1 1.80 3.70
GLY17.H PHE16.HB2 1.80 5.00
HIS11.HE1 HIS11.HB1 1.80 5.00
HIS11.HE1 HIS11.HB2 1.80 5.00
PHE16.HD1 PHE16.HB1 1.80 5.00
PHE9.HD1 PHE9.HB1 1.80 5.00
PHE26.HD1 PHE26.HB2 1.80 5.00
PHE6.HD1 PHE6.HB1 1.80 5.00
PHE6.HD1 PHE6.HB2 1.80 5.00
TYR7.HD1 TYR7.HB1 1.80 5.00
TYR7.HD1 TYR7.HB2 1.80 5.00
TYR7.HD1 PHE6.HA 1.80 5.00
PHE16.HD1 PHE16.HA 1.80 5.00
PHE26.HD1 PHE26.HA 1.80 5.00
HIS11.HE1 HIS11.HA 1.80 5.00
PHE20.HD1 PHE20.HB2 1.80 5.00
GLY13.H GLN12.HA 1.80 3.70
GLN12.H GLN12.HA 1.80 5.00
ASP15.H SER14.HA 1.80 3.70
ASP15.H SER14.HA 1.80 5.00
ASP15.H ASP15.HA 1.80 5.00
ASP15.H PHE16.HA 1.80 5.00
GLN12.H PHE9.HA 1.80 3.70
GLY17.H MET21.HA 1.80 5.00
SER14.H GLY13.HA2 1.80 5.00
THR10.H THR10.HB 1.80 5.00
HIS11.H THR10.HB 1.80 3.70
MET21.H ILE19.HA 1.80 5.00
GLN12.H THR10.HB 1.80 5.00
ILE19.H ILE19.HA 1.80 5.00
PHE20.H ILE19.HA 1.80 3.70
ILE8.H VAL4.HA 1.80 5.00
PHE20.H PRO18.HA 1.80 3.70
PHE16.H SER14.HA 1.80 5.00
PHE6.H ALA5.HA 1.80 3.70
ILE23.H THR22.HA 1.80 3.70
ILE23.H ILE23.HA 1.80 5.00
ILE23.H MET21.HA 1.80 5.00
VAL4.H TYR1.HA 1.80 3.70
THR10.H TYR7.HA 1.80 5.00
TYR7.H PHE6.HA 1.80 3.70
SER14.H SER14.HA 1.80 5.00
THR10.H PHE9.HA 1.80 5.00
THR10.H THR10.HA 1.80 5.00
SER14.H GLN12.HA 1.80 5.00
HIS11.H HIS11.HA 1.80 5.00
PHE26.H PHE26.HA 1.80 5.00
ALA2.H TYR1.HA 1.80 3.70
ALA2.H ALA2.HA 1.80 3.70
MET21.H PRO24.HA 1.80 5.00
GLY17.H SER14.HA 1.80 5.00
ALA5.H ILE8.HA 1.80 3.70
HIS11.H THR10.HA 1.80 3.70
THR22.H THR22.HA 1.80 5.00
PHE6.H ALA2.HA 1.80 5.00
ILE8.H TYR7.HA 1.80 3.70
THR22.H MET21.HA 1.80 3.70
VAL4.H VAL4.HA 1.80 5.00
VAL4.H ALA5.HA 1.80 5.00
PHE26.HA THR22.HG1 1.80 5.00
THR10.HB THR10.HG1 1.80 3.70
THR22.HB THR22.HG1 1.80 3.70
ALA25.HA ALA25.QB 1.80 6.00
PRO24.HA ILE23.QG2 1.80 6.00
ILE23.HA ILE23.QD1 1.80 6.00
PRO24.HA ILE23.QD1 1.80 6.00
ALA5.HA ILE8.HG21 1.80 3.70
ILE8.HA ILE8.HG21 1.80 5.00
VAL4.HA ILE8.QD1 1.80 6.00
ILE8.HA VAL4.QG1 1.80 6.00
ILE19.HA ILE19.HD11 1.80 5.00
ILE19.HA ILE19.QG2 1.80 6.00
ILE19.HA ILE19.QG1 1.80 5.60
ILE19.HA ILE19.HB 1.80 5.00
GLY17.HA2 PRO24.HB1 1.80 5.00
THR10.HB PRO24.HB1 1.80 5.00
PRO18.HD2 MET21.HB2 1.80 5.00
PRO24.HD2 MET21.HB2 1.80 5.00
PRO18.HD2 PRO24.HB1 1.80 3.70
PRO24.HD2 PRO24.HB1 1.80 3.70
PRO24.HD2 ILE23.HB 1.80 3.70
PRO24.HD1 ILE23.HB 1.80 3.70
PRO18.HD1 MET21.HB1 1.80 5.00
ILE23.HA ILE23.QG1 1.80 5.60
ILE8.HA ILE8.HG22 1.80 5.00
ALA5.HA ALA5.QB 1.80 6.00
HIS11.HA GLN12.QG 1.80 5.60
HIS11.HA GLN12.HB1 1.80 5.00
MET21.HA PRO18.HB1 1.80 5.00
MET21.HA MET21.HB1 1.80 5.00
PHE20.HA ILE23.HB 1.80 5.00
TYR7.HA ILE8.HB 1.80 5.00
PRO18.HA PRO18.HB2 1.80 5.00
ILE23.HA ILE23.HB 1.80 5.00
ALA25.HA PRO24.HB1 1.80 5.00
ALA25.HA MET21.HB2 1.80 5.00
PRO18.HA PRO18.HB1 1.80 5.00
PRO18.HA PRO24.HB1 1.80 5.00
ALA5.HA VAL4.HB 1.80 5.00
THR22.HA MET21.HB1 1.80 5.00
GLN12.HA GLN12.QG 1.80 5.60
ILE8.HA ILE8.HB 1.80 5.00
PHE16.HA ASP15.HB1 1.80 5.00
MET21.HA MET21.QG 1.80 5.60
ALA2.HA TYR1.HB1 1.80 5.00
PHE6.HA TYR7.HB1 1.80 5.00
PHE6.HA PHE9.HB1 1.80 5.00
PHE6.HA PHE6.HB1 1.80 5.00
TYR1.HA TYR1.HB2 1.80 5.00
PHE20.HA PHE20.HB1 1.80 3.70
VAL4.HA TYR7.HB2 1.80 5.00
HIS11.HA PHE9.HB1 1.80 5.00
TYR1.HA TYR1.HB1 1.80 3.70
PHE6.HA PHE6.HB2 1.80 5.00
PHE20.HA PHE20.HB2 1.80 5.00
PHE16.HA PHE16.HB2 1.80 5.00
PHE26.HA PHE26.HB1 1.80 5.00
PHE26.HA PHE26.HB2 1.80 3.70
HIS11.HA HIS11.HB2 1.80 3.70
HIS11.HA PHE9.HB2 1.80 3.70
GLN12.HA HIS11.HB1 1.80 5.00
THR10.HB GLY17.HA1 1.80 3.70
THR10.HB PRO18.HD1 1.80 3.70
GLY13.HA2 GLY13.HA1 1.80 2.70
THR10.HA THR10.HB 1.80 3.70
THR22.HA THR22.HB 1.80 5.00
ASP15.HA SER14.HA 1.80 5.00
PHE9.HA THR10.HA 1.80 5.00
TYR7.HA VAL4.HA 1.80 5.00
PHE6.HA ALA5.HA 1.80 5.00
ASP15.H SER14.H 1.80 5.00
ASP15.H PHE16.H 1.80 5.00
ASP15.H PHE16.H 1.80 5.00
ASP15.H PHE16.H 1.80 5.00
GLY13.H SER14.H 1.80 5.00
GLY13.H GLN12.H 1.80 5.00
GLN12.H HIS11.H 1.80 5.00
HIS11.H THR10.H 1.80 3.70
PHE9.H ILE8.H 1.80 5.00
PHE9.H PHE6.H 1.80 5.00
TYR7.H ILE8.H 1.80 5.00
THR22.H ILE23.H 1.80 5.00
PHE20.H ILE19.H 1.80 5.00
HIS11.H HIS11.HE1 1.80 5.00
TYR7.H TYR7.HD1 1.80 5.00
GLN12.H HIS11.HE1 1.80 5.00
ILE8.H TYR7.HD1 1.80 5.00
PHE16.HD1 GLN12.QE2 1.80 4.30
ALA2.QB GLY3.H 1.80 6.00
VAL4.HB VAL4.QG1 1.80 6.00
ILE23.HB ILE23.QG1 1.80 5.60
ILE23.HB ILE23.QG2 1.80 6.00
ILE23.HB ILE23.QD1 1.80 6.00
GLN12.QG GLN12.HB1 1.80 5.60
GLN12.QG GLN12.HB2 1.80 4.30
PRO18.HB1 PRO18.HB2 1.80 2.70
PRO24.HB1 MET21.HB1 1.80 3.70
ILE19.HB ILE19.QG1 1.80 4.30
ILE8.HB ILE8.HG21 1.80 5.00
ILE8.HB VAL4.QG1 1.80 6.00
ILE23.QG1 ILE23.QD1 1.80 6.60
ILE23.QG1 ILE23.QG2 1.80 6.60
ILE8.HG22 VAL4.QG1 1.80 4.70
ILE19.QG1 ILE19.HD12 1.80 4.30
ASP15.HB2 ASP15.HB1 1.80 3.70
TYR7.HB2 TYR7.HB1 1.80 3.70
PHE6.HB2 PHE6.HB1 1.80 3.70
PHE9.HB2 PHE9.HB1 1.80 2.70
HIS11.HB2 HIS11.HB1 1.80 2.70
MET21.QG MET21.HB1 1.80 5.60
MET21.QG MET21.HB2 1.80 5.60
ILE8.HG21 VAL4.QG1 1.80 4.70
ILE23.QG2 ILE23.QD1 1.80 7.00
ILE23.HB ILE19.HB 1.80 3.70
PHE26.HA THR22.HA 1.80 5.00
PHE26.HA VAL4.HA 1.80 5.00
PHE6.HA ALA5.HA 1.80 5.00
ILE23.HA THR22.HB 1.80 5.00
ASP15.H GLY17.H 1.80 5.00
GLN12.H THR10.H 1.80 5.00
ILE19.HA PHE20.HB1 1.80 5.00

  Entry H atom name         Submitted Coord H atom name
    1   1H    TYR   1          HN1       AMN-99999  -8.741  -0.570   4.879
    2   2H    TYR   1          HN2       AMN-99999  -8.149   0.997   4.902
    3   3H    TYR   1          HN3       AMN-99999  -7.127  -0.299   4.770
    4    HA   TYR   1           HA       TYR   1  -6.837   0.247   6.888
    5   1HB   TYR   1          HB2       TYR   1  -8.932   1.745   6.878
    6   2HB   TYR   1          HB1       TYR   1  -9.842   0.312   7.348
    7    HD1  TYR   1           HD1      TYR   1  -6.755   2.284   8.289
    8    HD2  TYR   1           HD2      TYR   1 -10.129  -0.009   9.702
    9    HE1  TYR   1           HE1      TYR   1  -6.033   2.659  10.620
   10    HE2  TYR   1           HE2      TYR   1  -9.396   0.374  12.039
   11    HH   TYR   1           HH       TYR   1  -6.481   2.269  12.855
   12    H    ALA   2           H        ALA   2  -7.781  -1.189   8.976
   13    HA   ALA   2           HA       ALA   2  -7.846  -3.226   9.882
   14   1HB   ALA   2          HB1       ALA   2  -9.469  -4.861   9.004
   15   2HB   ALA   2          HB2       ALA   2 -10.144  -3.227   9.113
   16   3HB   ALA   2          HB3       ALA   2  -9.682  -3.883   7.535
   17    H    GLY   3           H        GLY   3  -8.125  -5.118   6.965
   18   1HA   GLY   3          HA1       GLY   3  -5.511  -6.307   7.308
   19   2HA   GLY   3          HA2       GLY   3  -6.601  -6.505   5.924
   20    H    VAL   4           H        VAL   4  -6.933  -3.898   5.055
   21    HA   VAL   4           HA       VAL   4  -4.333  -3.452   3.717
   22    HB   VAL   4           HB       VAL   4  -7.042  -2.140   3.237
   23   1HG1  VAL   4          HG1       VAL   4  -4.592  -2.396   1.428
   24   2HG1  VAL   4          HG1       VAL   4  -6.114  -1.578   1.044
   25   3HG1  VAL   4          HG1       VAL   4  -5.048  -0.912   2.286
   26   1HG2  VAL   4          HG2       VAL   4  -7.285  -4.552   2.850
   27   2HG2  VAL   4          HG2       VAL   4  -7.220  -3.700   1.307
   28   3HG2  VAL   4          HG2       VAL   4  -5.788  -4.571   1.892
   29    H    ALA   5           H        ALA   5  -3.617  -2.920   6.020
   30    HA   ALA   5           HA       ALA   5  -4.003  -0.005   6.637
   31   1HB   ALA   5          HB1       ALA   5  -3.833  -0.574   9.020
   32   2HB   ALA   5          HB2       ALA   5  -3.634  -2.292   8.612
   33   3HB   ALA   5          HB3       ALA   5  -5.165  -1.455   8.276
   34    H    PHE   6           H        PHE   6  -2.091   0.317   8.475
   35    HA   PHE   6           HA       PHE   6   0.021   1.233   7.277
   36   1HB   PHE   6          HB1       PHE   6  -0.297   1.467   9.667
   37   2HB   PHE   6          HB2       PHE   6   0.101  -0.230   9.934
   38    HD1  PHE   6           HD1      PHE   6   2.386  -0.939  10.194
   39    HD2  PHE   6           HD2      PHE   6   1.522   3.007   8.664
   40    HE1  PHE   6           HE1      PHE   6   4.803  -0.414  10.163
   41    HE2  PHE   6           HE2      PHE   6   3.943   3.526   8.660
   42    HZ   PHE   6           HZ       PHE   6   5.588   1.815   9.404
   43    H    TYR   7           H        TYR   7  -0.058  -2.213   8.141
   44    HA   TYR   7           HA       TYR   7   2.468  -3.129   7.580
   45   1HB   TYR   7          HB2       TYR   7   0.667  -4.549   8.353
   46   2HB   TYR   7          HB1       TYR   7  -0.234  -4.308   6.857
   47    HD1  TYR   7           HD1      TYR   7   2.979  -5.706   8.207
   48    HD2  TYR   7           HD2      TYR   7   0.123  -5.738   4.974
   49    HE1  TYR   7           HE1      TYR   7   4.203  -7.573   7.144
   50    HE2  TYR   7           HE2      TYR   7   1.355  -7.608   3.911
   51    HH   TYR   7           HH       TYR   7   4.316  -9.004   5.341
   52    H    ILE   8           H        ILE   8  -0.079  -2.364   5.164
   53    HA   ILE   8           HA       ILE   8   1.707  -3.176   2.970
   54    HB   ILE   8           HB       ILE   8  -0.801  -3.728   3.280
   55   1HG1  ILE   8          HG1       ILE   8  -1.210  -3.634   0.771
   56   2HG1  ILE   8          HG1       ILE   8   0.420  -2.970   0.615
   57   1HG2  ILE   8          HG2       ILE   8  -1.385  -1.228   1.717
   58   2HG2  ILE   8          HG2       ILE   8  -2.462  -2.340   2.550
   59   3HG2  ILE   8          HG2       ILE   8  -1.450  -1.237   3.489
   60   1HD1  ILE   8          HD1       ILE   8   1.332  -5.005   1.742
   61   2HD1  ILE   8          HD1       ILE   8  -0.324  -5.625   1.923
   62   3HD1  ILE   8          HD1       ILE   8   0.376  -5.411   0.309
   63    H    PHE   9           H        PHE   9   0.526  -1.113   1.134
   64    HA   PHE   9           HA       PHE   9   1.098   0.882   0.271
   65   1HB   PHE   9          HB1       PHE   9   1.567   1.970   3.044
   66   2HB   PHE   9          HB2       PHE   9   0.946   2.792   1.635
   67    HD1  PHE   9           HD1      PHE   9  -1.377   1.647   0.694
   68    HD2  PHE   9           HD2      PHE   9   0.030   1.660   4.764
   69    HE1  PHE   9           HE1      PHE   9  -3.693   1.332   1.482
   70    HE2  PHE   9           HE2      PHE   9  -2.318   1.626   5.554
   71    HZ   PHE   9           HZ       PHE   9  -4.181   1.353   3.925
   72    H    THR  10           H        THR  10   3.407  -1.022   1.431
   73    HA   THR  10           HA       THR  10   5.414  -0.944   2.400
   74    HB   THR  10           HB       THR  10   6.135   0.953   0.145
   75    HG1  THR  10           HG1      THR  10   6.328  -1.005  -1.064
   76   1HG2  THR  10          HG2       THR  10   7.666  -1.334   1.488
   77   2HG2  THR  10          HG2       THR  10   8.240  -0.379   0.108
   78   3HG2  THR  10          HG2       THR  10   8.034   0.391   1.684
   79    H    HIS  11           H        HIS  11   3.710   0.648   3.764
   80    HA   HIS  11           HA       HIS  11   3.518   2.307   5.264
   81   1HB   HIS  11          HB1       HIS  11   6.545   2.345   5.334
   82   2HB   HIS  11          HB2       HIS  11   5.434   2.767   6.634
   83    HD1  HIS  11           HD1      HIS  11   3.625  -0.036   6.239
   84    HD2  HIS  11           HD2      HIS  11   7.778   0.485   6.772
   85    HE1  HIS  11           HE1      HIS  11   4.533  -2.214   7.192
   86    H    GLN  12           H        GLN  12   4.055   3.263   2.302
   87    HA   GLN  12           HA       GLN  12   4.591   6.111   3.046
   88   1HB   GLN  12          HB1       GLN  12   5.570   6.526   0.927
   89   2HB   GLN  12          HB2       GLN  12   6.399   5.208   1.728
   90   1HG   GLN  12          HG1       GLN  12   6.303   4.664  -0.562
   91   2HG   GLN  12          HG2       GLN  12   5.212   3.566   0.262
   92   1HE2  GLN  12          HE2       GLN  12   5.217   6.793  -1.399
   93   2HE2  GLN  12          HE2       GLN  12   3.623   6.613  -2.127
   94    H    GLY  13           H        GLY  13   3.637   7.242   0.652
   95   1HA   GLY  13          HA1       GLY  13   0.956   7.589   1.544
   96   2HA   GLY  13          HA2       GLY  13   1.746   8.372   0.174
   97    H    SER  14           H        SER  14   1.269   4.852   0.466
   98    HA   SER  14           HA       SER  14  -0.125   3.390  -0.521
   99   1HB   SER  14          HB1       SER  14  -1.662   5.179   0.673
  100   2HB   SER  14          HB2       SER  14  -2.133   5.608  -0.983
  101    HG   SER  14           HG       SER  14  -3.504   4.033  -0.108
  102    H    ASP  15           H        ASP  15   1.799   4.645  -2.322
  103    HA   ASP  15           HA       ASP  15   0.478   4.043  -4.876
  104   1HB   ASP  15          HB1       ASP  15   0.908   6.153  -5.916
  105   2HB   ASP  15          HB2       ASP  15  -0.108   6.409  -4.500
  106    H    PHE  16           H        PHE  16   3.458   5.715  -3.874
  107    HA   PHE  16           HA       PHE  16   4.963   4.160  -5.918
  108   1HB   PHE  16          HB1       PHE  16   4.765   6.661  -6.028
  109   2HB   PHE  16          HB2       PHE  16   5.654   6.768  -4.519
  110    HD1  PHE  16           HD1      PHE  16   5.828   5.694  -8.089
  111    HD2  PHE  16           HD2      PHE  16   8.086   6.440  -4.490
  112    HE1  PHE  16           HE1      PHE  16   7.942   5.508  -9.373
  113    HE2  PHE  16           HE2      PHE  16  10.195   6.262  -5.780
  114    HZ   PHE  16           HZ       PHE  16  10.129   5.795  -8.223
  115    H    GLY  17           H        GLY  17   5.171   2.305  -4.583
  116   1HA   GLY  17          HA1       GLY  17   7.404   1.981  -2.897
  117   2HA   GLY  17          HA2       GLY  17   6.046   2.450  -1.860
  118    HA   PRO  18           HA       PRO  18   4.410  -1.713  -2.282
  119   1HB   PRO  18          HB1       PRO  18   1.746  -1.523  -2.536
  120   2HB   PRO  18          HB2       PRO  18   2.578  -0.832  -1.127
  121   1HG   PRO  18          HG1       PRO  18   1.824   0.677  -3.670
  122   2HG   PRO  18          HG2       PRO  18   1.351   1.104  -2.000
  123   1HD   PRO  18          HD1       PRO  18   3.471   2.210  -3.163
  124   2HD   PRO  18          HD2       PRO  18   3.586   1.722  -1.461
  125    H    ILE  19           H        ILE  19   5.781  -1.200  -4.458
  126    HA   ILE  19           HA       ILE  19   6.201  -1.553  -6.550
  127    HB   ILE  19           HB       ILE  19   4.768  -3.734  -5.839
  128   1HG1  ILE  19          HG1       ILE  19   6.897  -3.740  -6.958
  129   2HG1  ILE  19          HG1       ILE  19   5.771  -4.872  -7.699
  130   1HG2  ILE  19          HG2       ILE  19   3.464  -2.895  -8.460
  131   2HG2  ILE  19          HG2       ILE  19   3.387  -4.490  -7.699
  132   3HG2  ILE  19          HG2       ILE  19   2.656  -3.103  -6.898
  133   1HD1  ILE  19          HD1       ILE  19   6.516  -2.135  -8.834
  134   2HD1  ILE  19          HD1       ILE  19   7.096  -3.707  -9.393
  135   3HD1  ILE  19          HD1       ILE  19   5.389  -3.292  -9.580
  136    H    PHE  20           H        PHE  20   2.637  -0.946  -6.465
  137    HA   PHE  20           HA       PHE  20   2.838   1.470  -7.968
  138   1HB   PHE  20          HB1       PHE  20   3.253  -0.111  -9.848
  139   2HB   PHE  20          HB2       PHE  20   1.819  -1.028  -9.404
  140    HD1  PHE  20           HD1      PHE  20   2.972   2.364 -10.531
  141    HD2  PHE  20           HD2      PHE  20  -0.311  -0.434 -10.343
  142    HE1  PHE  20           HE1      PHE  20   1.626   3.831 -12.010
  143    HE2  PHE  20           HE2      PHE  20  -1.657   1.051 -11.792
  144    HZ   PHE  20           HZ       PHE  20  -0.678   3.160 -12.671
  145    H    MET  21           H        MET  21   0.547   2.218  -8.446
  146    HA   MET  21           HA       MET  21  -1.084   1.801  -6.111
  147   1HB   MET  21          HB1       MET  21  -2.542   3.514  -7.097
  148   2HB   MET  21          HB2       MET  21  -0.855   3.998  -6.931
  149   1HG   MET  21          HG1       MET  21  -0.468   3.703  -9.323
  150   2HG   MET  21          HG2       MET  21  -2.116   3.099  -9.551
  151   1HE   MET  21          HE1       MET  21  -2.451   4.809 -11.523
  152   2HE   MET  21          HE2       MET  21  -2.167   6.559 -11.365
  153   3HE   MET  21          HE3       MET  21  -0.795   5.429 -11.282
  154    H    THR  22           H        THR  22  -1.140  -0.593  -6.772
  155    HA   THR  22           HA       THR  22  -4.011  -0.984  -7.329
  156    HB   THR  22           HB       THR  22  -3.017  -1.680  -9.387
  157    HG1  THR  22           HG1      THR  22  -3.836  -3.777  -9.390
  158   1HG2  THR  22          HG2       THR  22  -1.373  -3.800  -7.948
  159   2HG2  THR  22          HG2       THR  22  -1.406  -3.421  -9.670
  160   3HG2  THR  22          HG2       THR  22  -0.684  -2.267  -8.541
  161    H    ILE  23           H        ILE  23  -1.039  -2.660  -6.199
  162    HA   ILE  23           HA       ILE  23  -2.115  -4.326  -4.281
  163    HB   ILE  23           HB       ILE  23   0.486  -2.781  -4.106
  164   1HG1  ILE  23          HG1       ILE  23   0.479  -3.945  -6.211
  165   2HG1  ILE  23          HG1       ILE  23   1.557  -4.753  -5.089
  166   1HG2  ILE  23          HG2       ILE  23  -0.422  -5.312  -2.688
  167   2HG2  ILE  23          HG2       ILE  23   1.261  -4.747  -2.753
  168   3HG2  ILE  23          HG2       ILE  23   0.033  -3.764  -1.956
  169   1HD1  ILE  23          HD1       ILE  23  -1.241  -5.689  -5.873
  170   2HD1  ILE  23          HD1       ILE  23   0.305  -6.393  -6.363
  171   3HD1  ILE  23          HD1       ILE  23  -0.201  -6.491  -4.670
  172    HA   PRO  24           HA       PRO  24  -2.047  -0.983  -0.872
  173   1HB   PRO  24          HB1       PRO  24  -2.456   1.647  -1.563
  174   2HB   PRO  24          HB2       PRO  24  -0.844   0.897  -1.345
  175   1HG   PRO  24          HG1       PRO  24  -2.360   1.345  -3.913
  176   2HG   PRO  24          HG2       PRO  24  -0.647   1.729  -3.572
  177   1HD   PRO  24          HD1       PRO  24  -1.308  -0.488  -4.838
  178   2HD   PRO  24          HD2       PRO  24  -0.044  -0.585  -3.612
  179    H    ALA  25           H        ALA  25  -4.131  -0.851  -3.742
  180    HA   ALA  25           HA       ALA  25  -6.517  -0.119  -2.161
  181   1HB   ALA  25          HB1       ALA  25  -7.737  -0.588  -4.208
  182   2HB   ALA  25          HB2       ALA  25  -6.391   0.519  -4.549
  183   3HB   ALA  25          HB3       ALA  25  -6.279  -1.196  -5.004
  184    H    PHE  26           H        PHE  26  -5.071  -2.918  -3.840
  185    HA   PHE  26           HA       PHE  26  -4.940  -5.095  -3.341
  186   1HB   PHE  26          HB1       PHE  26  -4.957  -4.090  -0.860
  187   2HB   PHE  26          HB2       PHE  26  -6.506  -4.909  -0.786
  188    HD1  PHE  26           HD1      PHE  26  -6.554  -7.446  -1.157
  189    HD2  PHE  26           HD2      PHE  26  -2.873  -5.244  -0.741
  190    HE1  PHE  26           HE1      PHE  26  -5.357  -9.546  -0.604
  191    HE2  PHE  26           HE2      PHE  26  -1.678  -7.342  -0.191
  192    HZ   PHE  26           HZ       PHE  26  -2.916  -9.500  -0.116