*HEADER    ION TRANSPORT                           28-JAN-00   1EDS              
*TITLE     SOLUTION STRUCTURE OF INTRADISKAL LOOP 1 OF BOVINE                    
*TITLE    2 RHODOPSIN (RHODOPSIN RESIDUES 92-123)                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHODOPSIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FIRST INTRADISKAL LOOP (RESIDUES 93-123);                  
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: BOVINE SEQUENCE                                       
*KEYWDS    HELIX-TURN-HELIX                                                      
*EXPDTA    NMR                                                                   
*AUTHOR    P.L.YEAGLE, A.SALLOUM, A.CHOPRA, N.BHAWSAR, L.ALI                     
*REVDAT   1   09-AUG-00 1EDS    0                                                
THR2.H THR1.HB 1.80 3.70
THR2.H THR2.HB 1.80 5.00
THR2.H THR2.HA 1.80 5.00
SER6.H SER6.HA 1.80 3.70
PHE24.H PHE23.HA 1.80 2.70
ALA25.H PHE24.HA 1.80 2.70
LEU7.H SER6.HA 1.80 3.70
LEU7.H PHE11.HA 1.80 3.70
THR16.H PRO15.HA 1.80 3.70
THR26.H ALA25.HA 1.80 2.70
THR26.H THR26.HA 1.80 3.70
VAL12.H VAL12.HA 1.80 3.70
GLU21.H GLU21.HA 1.80 5.00
THR5.H THR1.HA 1.80 5.00
LEU27.H THR26.HB 1.80 3.70
THR5.H THR5.HA 1.80 3.70
TYR4.H LEU3.HA 1.80 3.70
GLU30.H THR26.HA 1.80 2.70
PHE13.H VAL12.HA 1.80 2.70
GLY28.H LEU27.HA 1.80 2.70
GLY28.H GLY28.QA 1.80 4.30
GLY9.H GLY9.QA 1.80 4.30
GLY29.H GLY28.QA 1.80 3.30
GLU30.H GLY29.QA 1.80 3.30
GLY29.H ALA25.HA 1.80 3.70
THR16.H THR16.HA 1.80 2.70
THR5.HA THR5.HA 1.80 2.70
LEU27.H LEU27.HA 1.80 3.70
SER6.H LEU3.HA 1.80 5.00
GLY14.H PHE13.HA 1.80 3.70
LEU20.H LEU20.HA 1.80 5.00
ALA25.H GLY22.HA2 1.80 5.00
GLY9.H SER6.HA 1.80 2.70
PHE11.H LEU7.HA 1.80 3.70
CYS18.H ASN19.HA 1.80 3.70
ASN19.H ASN19.HA 1.80 3.70
PHE11.H TYR10.HA 1.80 3.70
LEU20.H ASN19.HA 1.80 3.70
LEU7.H LEU3.HA 1.80 3.70
GLY22.H LEU20.HA 1.80 3.70
SER6.H SER6.QB 1.80 5.60
GLY17.H THR16.HB 1.80 3.70
PHE23.H LEU20.HA 1.80 3.70
LEU3.H THR2.HA 1.80 3.70
TYR4.H TYR4.HA 1.80 3.70
HIS8.H THR5.HA 1.80 3.70
PHE11.H PHE11.HA 1.80 3.70
GLY28.H THR26.HB 1.80 3.70
PHE23.H GLY22.QA 1.80 3.30
GLY22.H GLY22.QA 1.80 4.30
GLY17.H GLY17.QA 1.80 3.30
GLY22.H GLY22.HA2 1.80 3.70
PHE23.H GLY22.HA2 1.80 5.00
GLY29.H GLY29.QA 1.80 4.30
LEU3.H THR2.HB 1.80 5.00
TYR4.H THR2.HB 1.80 5.00
GLY28.QA ALA25.HA 1.80 4.30
THR26.H PHE23.HA 1.80 5.00
VAL12.H PHE11.HA 1.80 5.00
LEU7.H LEU7.HA 1.80 3.70
HIS8.H HIS8.HA 1.80 3.70
TYR10.H GLY9.QA 1.80 4.30
GLY29.H ALA25.HA 1.80 3.70
GLY14.H GLY14.QA 1.80 5.60
THR16.H THR16.HA 1.80 3.70
PHE11.H GLY9.QA 1.80 5.60
ASN19.H ASN19.HA 1.80 3.70
PHE23.H PHE23.HA 1.80 3.70
PHE24.H PHE24.HA 1.80 2.70
THR26.H THR26.HA 1.80 5.00
CYS18.H CYS18.HB2 1.80 3.70
ASN19.H CYS18.HB2 1.80 3.70
SER6.H HIS8.QB 1.80 5.60
PHE23.H PHE23.HB2 1.80 3.70
PHE23.H PHE23.HB1 1.80 3.70
PHE13.H PHE13.HB2 1.80 3.70
GLY14.H PHE13.HB2 1.80 3.70
PHE24.H PHE24.HB1 1.80 3.70
ASN19.H CYS18.HB1 1.80 5.00
CYS18.H CYS18.HB1 1.80 2.70
PHE24.H PHE24.HB2 1.80 3.70
PHE24.H PHE23.HB2 1.80 3.70
PHE24.H PHE23.HB1 1.80 3.70
ASN19.H ASN19.HB2 1.80 3.70
CYS18.H ASN19.HB2 1.80 3.70
TYR4.H TYR4.HB1 1.80 5.00
TYR4.H TYR4.HB2 1.80 5.00
THR26.H PHE24.HB2 1.80 5.00
THR26.H PHE24.HB1 1.80 5.00
SER6.H TYR10.HB1 1.80 5.00
SER6.H TYR4.HB1 1.80 5.00
ASN19.H ASN19.HB1 1.80 5.00
CYS18.H ASN19.HB1 1.80 5.00
GLY22.H GLU21.QG 1.80 4.30
VAL12.H VAL12.HB 1.80 3.70
GLU21.H GLU21.HB2 1.80 5.00
THR16.H PRO15.HB1 1.80 3.70
PHE13.H VAL12.HB 1.80 3.70
GLY22.H GLU21.HB2 1.80 3.70
LEU20.H ASN19.HB1 1.80 5.00
ILE31.H GLU30.QB 1.80 5.60
LEU7.H LEU7.QB 1.80 4.30
LEU27.H LEU27.QB 1.80 4.30
THR26.H ALA25.QB 1.80 6.00
LEU27.H ALA25.QB 1.80 6.00
ALA25.H ALA25.QB 1.80 4.70
GLY28.H LEU27.QB 1.80 4.30
THR2.H THR1.QG2 1.80 6.00
THR2.H THR2.QG2 1.80 6.00
ILE31.H ILE31.QG1 1.80 5.60
LEU27.H THR26.QG2 1.80 6.00
PHE13.H VAL12.QQG 1.80 6.56
LEU7.H LEU7.QD1 1.80 6.00
VAL12.H VAL12.QQG 1.80 6.56
ILE31.H ILE31.QD1 1.80 6.00
LEU27.H LEU27.QQD 1.80 6.56
PHE11.H LEU7.QD1 1.80 6.00
CYS18.H THR16.QG2 1.80 6.00
THR26.H THR26.QG2 1.80 6.00
ILE31.H ILE31.QG2 1.80 6.00
VAL12.HB VAL12.QQG 1.80 5.26
ASN19.HD22 ASN19.HA 1.80 5.00
TYR10.HD1 TYR10.HA 1.80 5.00
ASN19.HD21 ASN19.HA 1.80 5.00
PHE23.QR PHE23.HA 1.80 5.00
PHE24.QR PHE24.HA 1.80 3.70
PHE13.QR PHE13.HA 1.80 3.70
PHE23.QR GLY22.QA 1.80 4.30
PHE24.QR PHE24.HB2 1.80 3.70
ASN19.HD22 CYS18.HB2 1.80 5.00
TYR4.HD1 TYR4.HB2 1.80 5.00
TYR10.HD1 TYR10.HB2 1.80 3.70
PHE23.QR PHE23.HB2 1.80 3.70
TYR4.HE1 TYR4.HB2 1.80 5.00
PHE24.QR PHE24.HB1 1.80 3.70
TYR10.HE1 TYR10.HB2 1.80 5.00
ASN19.HD22 ASN19.HB2 1.80 3.70
ASN19.HD22 ASN19.HB1 1.80 3.70
TYR10.HD1 TYR10.HB1 1.80 3.70
ASN19.HD21 ASN19.HB2 1.80 5.00
ASN19.HD21 ASN19.HB1 1.80 5.00
PHE24.HZ ASN19.HB1 1.80 5.00
PHE23.HZ ASN19.HB2 1.80 5.00
TYR4.HD1 TYR4.HB1 1.80 5.00
PHE23.HD2 PHE23.HB1 1.80 3.70
TYR10.HD2 TYR10.HB1 1.80 3.70
PHE13.QR TYR10.HB1 1.80 3.70
TYR10.HD1 PHE13.HB2 1.80 5.00
TYR10.HE1 TYR10.HB1 1.80 5.00
PHE13.QR TYR10.HB2 1.80 3.70
PHE13.QR PHE13.HB1 1.80 3.70
PHE13.QR PHE13.HB2 1.80 3.70
PHE13.QR VAL12.QQG 1.80 6.56
PHE24.QR LEU27.QQD 1.80 6.56
PHE23.QR LEU27.QQD 1.80 6.56
TYR10.HD1 LEU7.QD1 1.80 6.00
THR26.H ILE31.QG2 1.80 6.00
TYR10.HE1 LEU7.QD1 1.80 6.00
PHE13.HA VAL12.QQG 1.80 6.56
PHE13.HA THR16.QG2 1.80 6.00
ALA25.HA ALA25.QB 1.80 4.70
THR2.HA THR1.QG2 1.80 6.00
PRO15.HA THR16.QG2 1.80 6.00
HIS8.HA LEU7.QB 1.80 4.30
LEU27.HA LEU27.QB 1.80 4.30
LEU7.HA LEU7.QB 1.80 4.30
LEU27.HA LEU27.QQD 1.80 6.56
ILE31.HA ILE31.QD1 1.80 6.00
THR5.HA THR5.QG2 1.80 6.00
THR16.HA THR16.QG2 1.80 6.00
THR26.HA ALA25.QB 1.80 6.00
VAL12.HA VAL12.QQG 1.80 6.56
PRO15.HA PRO15.HB1 1.80 3.70
PRO15.HA PRO15.HB2 1.80 3.70
GLU30.HA GLU30.QB 1.80 5.60
GLU30.HA ILE31.HB 1.80 5.00
GLU30.HA GLU30.QG 1.80 5.60
GLU21.HA GLU21.HB2 1.80 3.70
GLU21.HA GLU21.HB1 1.80 3.70
GLU21.HA GLU21.QG 1.80 4.30
TYR10.HA TYR10.HB1 1.80 3.70
PHE23.HA ASN19.HB2 1.80 3.70
ASN19.HA ASN19.HB2 1.80 3.70
ASN19.HA ASN19.HB1 1.80 3.70
PHE13.HA PHE13.HB2 1.80 3.70
PHE24.HA PHE24.HB1 1.80 2.70
TYR4.HA TYR4.HB1 1.80 3.70
TYR10.HA TYR10.HB2 1.80 3.70
PHE23.HA TYR10.HB2 1.80 3.70
PHE23.HA PHE23.HB2 1.80 3.70
SER6.HA TYR4.HB2 1.80 3.70
PHE13.HA PHE13.HB1 1.80 3.70
PHE24.HA PHE24.HB2 1.80 3.70
HIS8.HA HIS8.QB 1.80 3.30
PHE11.HA PRO15.HD1 1.80 3.70
PHE23.HA GLY22.QA 1.80 5.60
THR16.HA GLY17.QA 1.80 4.30
THR16.HA PRO15.QD 1.80 5.60
PRO15.HA PRO15.QD 1.80 5.60
HIS8.HA GLY9.QA 1.80 5.60
PHE13.HA GLY14.QA 1.80 5.60
SER6.HA SER6.QB 1.80 4.30
SER6.HA LEU7.HA 1.80 3.70
SER6.HA THR5.HA 1.80 3.70
PHE13.HA VAL12.HA 1.80 5.00
THR2.HA THR2.HB 1.80 5.00
PRO15.HA THR16.HA 1.80 5.00
TYR4.HA THR5.HB 1.80 5.00
THR5.HA THR5.HB 1.80 3.70
THR26.HA THR26.HB 1.80 3.70
THR16.HA THR16.HB 1.80 3.70
ILE31.HA GLY28.QA 1.80 5.60
LEU7.HA SER6.QB 1.80 4.30
PHE13.HA PRO15.HA 1.80 3.70
PHE24.HA GLY28.QA 1.80 5.60
THR1.HA THR1.HB 1.80 2.70
THR16.HB PRO15.QD 1.80 4.30
GLY17.QA PRO15.QD 1.80 6.20
GLY22.QA PHE23.HB2 1.80 5.60
GLY9.QA TYR10.HB2 1.80 5.60
SER6.QB PHE24.HB1 1.80 5.60
PHE24.HB2 PHE24.HB1 1.80 2.70
HIS8.QB TYR4.HB2 1.80 3.30
GLY22.QA PHE23.HB1 1.80 5.60
GLY22.QA ASN19.HB1 1.80 5.60
PRO15.HD2 ASN19.HB1 1.80 5.00
CYS18.HB2 GLU21.QG 1.80 5.60
PRO15.HD2 PRO15.HB1 1.80 3.70
PRO15.QD PRO15.HB1 1.80 4.30
PRO15.QD PRO15.HB2 1.80 5.60
PRO15.HD2 PRO15.HB2 1.80 5.00
THR16.HB PRO15.HB1 1.80 3.70
THR16.HB ASN19.HB1 1.80 5.00
THR16.HB ASN19.HB2 1.80 5.00
THR1.HB THR1.QG2 1.80 6.00
THR5.HB THR5.QG2 1.80 4.70
THR2.HB THR1.QG2 1.80 6.00
PHE23.HB2 PHE23.HB1 1.80 2.70
TYR4.HB2 TYR4.HB1 1.80 2.70
TYR10.HB2 TYR10.HB1 1.80 2.70
PHE13.HB1 TYR10.HB1 1.80 5.00
ASN19.HB2 ASN19.HB1 1.80 2.70
GLU30.QG GLU30.QB 1.80 4.90
GLU21.QG GLU21.HB2 1.80 4.30
GLU21.QG GLU21.HB1 1.80 4.30
PRO15.HB2 PRO15.HB1 1.80 2.70
GLU21.HB2 GLU21.HB1 1.80 2.70
GLU21.QG LEU20.HB1 1.80 5.60
LEU7.QB LEU7.QD1 1.80 5.30
HIS8.H LEU7.HA 1.80 3.70
THR2.H LEU3.H 1.80 5.00
ALA25.H THR26.H 1.80 3.70
GLY28.H LEU27.H 1.80 3.70
PHE13.H VAL12.H 1.80 3.70
LEU27.H THR26.H 1.80 3.70
VAL12.H TYR10.H 1.80 5.00
THR26.H ALA25.H 1.80 3.70
LEU27.H GLY28.H 1.80 3.70
LEU3.H THR2.H 1.80 5.00
PHE13.H VAL12.H 1.80 3.70
TYR4.H TYR4.HD1 1.80 5.00
ASN19.HD22 ASN19.HD21 1.80 2.70
TYR10.HE1 TYR10.HA 1.80 5.00

  Entry H atom name         Submitted Coord H atom name
    1   1H    THR   1          HN1       AMN-99999   0.205   8.587   3.173
    2   2H    THR   1          HN2       AMN-99999   1.159   8.907   4.505
    3   3H    THR   1          HN3       AMN-99999   1.550   9.499   3.004
    4    HA   THR   1           HA       THR   1   2.957   7.672   3.299
    5    HB   THR   1           HB       THR   1   1.774   6.534   5.103
    6    HG1  THR   1           HG1      THR   1   1.670   4.370   3.946
    7   1HG2  THR   1          HG2       THR   1  -0.348   5.724   3.054
    8   2HG2  THR   1          HG2       THR   1  -0.254   5.210   4.740
    9   3HG2  THR   1          HG2       THR   1  -0.607   6.894   4.345
   10    H    THR   2           H        THR   2   3.426   6.241   1.424
   11    HA   THR   2           HA       THR   2   1.716   6.555  -0.941
   12    HB   THR   2           HB       THR   2   3.669   4.971  -1.744
   13    HG1  THR   2           HG1      THR   2   5.453   5.059  -0.357
   14   1HG2  THR   2          HG2       THR   2   4.268   7.804  -0.775
   15   2HG2  THR   2          HG2       THR   2   5.195   6.895  -1.986
   16   3HG2  THR   2          HG2       THR   2   3.523   7.371  -2.329
   17    H    LEU   3           H        LEU   3   0.114   5.571   0.830
   18    HA   LEU   3           HA       LEU   3  -1.052   3.913   1.811
   19   1HB   LEU   3          HB1       LEU   3  -0.066   2.035  -0.361
   20   2HB   LEU   3          HB2       LEU   3  -1.428   1.815   0.736
   21    HG   LEU   3           HG       LEU   3  -1.151   3.853  -1.511
   22   1HD1  LEU   3          HD1       LEU   3  -3.142   1.624  -0.960
   23   2HD1  LEU   3          HD1       LEU   3  -3.070   2.626  -2.426
   24   3HD1  LEU   3          HD1       LEU   3  -1.756   1.492  -2.048
   25   1HD2  LEU   3          HD2       LEU   3  -2.317   5.056   0.264
   26   2HD2  LEU   3          HD2       LEU   3  -3.500   4.538  -0.937
   27   3HD2  LEU   3          HD2       LEU   3  -3.351   3.648   0.592
   28    H    TYR   4           H        TYR   4   1.861   2.147   0.715
   29    HA   TYR   4           HA       TYR   4   3.157   0.614   1.814
   30   1HB   TYR   4          HB2       TYR   4   4.095   2.823   2.471
   31   2HB   TYR   4          HB1       TYR   4   3.131   2.779   3.945
   32    HD1  TYR   4           HD1      TYR   4   4.078   1.886   5.910
   33    HD2  TYR   4           HD2      TYR   4   5.697   0.754   2.074
   34    HE1  TYR   4           HE1      TYR   4   5.895   0.659   7.042
   35    HE2  TYR   4           HE2      TYR   4   7.498  -0.514   3.219
   36    HH   TYR   4           HH       TYR   4   7.762  -0.661   6.779
   37    H    THR   5           H        THR   5   0.970  -0.497   1.875
   38    HA   THR   5           HA       THR   5  -0.751  -1.592   2.836
   39    HB   THR   5           HB       THR   5   0.979  -3.180   3.083
   40    HG1  THR   5           HG1      THR   5   0.020  -4.358   4.782
   41   1HG2  THR   5          HG2       THR   5   1.588  -2.096   5.862
   42   2HG2  THR   5          HG2       THR   5   2.179  -3.616   5.178
   43   3HG2  THR   5          HG2       THR   5   2.666  -2.084   4.452
   44    H    SER   6           H        SER   6  -1.840   0.399   3.259
   45    HA   SER   6           HA       SER   6  -1.580   2.144   5.164
   46   1HB   SER   6          HB1       SER   6  -4.354   1.244   4.374
   47   2HB   SER   6          HB2       SER   6  -3.718   2.889   4.575
   48    HG   SER   6           HG       SER   6  -3.821   2.345   2.363
   49    H    LEU   7           H        LEU   7  -3.019  -0.981   5.810
   50    HA   LEU   7           HA       LEU   7  -4.217  -0.925   8.273
   51   1HB   LEU   7          HB1       LEU   7  -3.681  -2.898   6.937
   52   2HB   LEU   7          HB2       LEU   7  -1.960  -2.700   7.236
   53    HG   LEU   7           HG       LEU   7  -3.102  -4.532   8.456
   54   1HD1  LEU   7          HD1       LEU   7  -1.873  -2.613  10.456
   55   2HD1  LEU   7          HD1       LEU   7  -1.903  -4.374  10.473
   56   3HD1  LEU   7          HD1       LEU   7  -0.940  -3.529   9.250
   57   1HD2  LEU   7          HD2       LEU   7  -5.227  -3.404   8.977
   58   2HD2  LEU   7          HD2       LEU   7  -4.470  -4.109  10.415
   59   3HD2  LEU   7          HD2       LEU   7  -4.390  -2.359  10.153
   60    H    HIS   8           H        HIS   8  -0.765  -0.559   7.599
   61    HA   HIS   8           HA       HIS   8   0.293   0.042  10.159
   62   1HB   HIS   8          HB1       HIS   8   1.562  -0.533   8.122
   63   2HB   HIS   8          HB2       HIS   8   1.033   0.961   7.351
   64    HD1  HIS   8           HD1      HIS   8   1.829   3.238   8.901
   65    HD2  HIS   8           HD2      HIS   8   3.994  -0.359   8.999
   66    HE1  HIS   8           HE1      HIS   8   4.237   3.841   9.616
   67    H    GLY   9           H        GLY   9  -1.705   1.250  10.921
   68   1HA   GLY   9          HA1       GLY   9  -2.104   3.247  12.062
   69   2HA   GLY   9          HA2       GLY   9  -0.948   4.103  11.035
   70    H    TYR  10           H        TYR  10  -1.805   3.832   8.532
   71    HA   TYR  10           HA       TYR  10  -4.136   5.609   8.479
   72   1HB   TYR  10          HB2       TYR  10  -2.334   4.462   6.318
   73   2HB   TYR  10          HB1       TYR  10  -3.623   5.607   6.007
   74    HD1  TYR  10           HD1      TYR  10  -0.384   5.259   7.872
   75    HD2  TYR  10           HD2      TYR  10  -3.271   7.918   6.077
   76    HE1  TYR  10           HE1      TYR  10   1.335   7.005   7.699
   77    HE2  TYR  10           HE2      TYR  10  -1.512   9.627   5.804
   78    HH   TYR  10           HH       TYR  10   1.811   9.183   6.823
   79    H    PHE  11           H        PHE  11  -4.957   3.110   9.462
   80    HA   PHE  11           HA       PHE  11  -5.604   1.062   7.757
   81   1HB   PHE  11          HB1       PHE  11  -5.885   0.864  10.131
   82   2HB   PHE  11          HB2       PHE  11  -7.095   2.138  10.176
   83    HD1  PHE  11           HD1      PHE  11  -9.426   1.636   9.918
   84    HD2  PHE  11           HD2      PHE  11  -6.461  -1.317   8.870
   85    HE1  PHE  11           HE1      PHE  11 -11.209  -0.047   9.599
   86    HE2  PHE  11           HE2      PHE  11  -8.253  -3.004   8.573
   87    HZ   PHE  11           HZ       PHE  11 -10.630  -2.371   8.933
   88    H    VAL  12           H        VAL  12  -7.806   3.719   8.580
   89    HA   VAL  12           HA       VAL  12 -10.004   3.022   7.035
   90    HB   VAL  12           HB       VAL  12  -8.979   5.800   7.774
   91   1HG1  VAL  12          HG1       VAL  12 -11.763   4.884   6.932
   92   2HG1  VAL  12          HG1       VAL  12 -11.389   6.464   7.649
   93   3HG1  VAL  12          HG1       VAL  12 -10.721   6.041   6.074
   94   1HG2  VAL  12          HG2       VAL  12  -9.293   4.366   9.771
   95   2HG2  VAL  12          HG2       VAL  12 -10.567   5.581   9.682
   96   3HG2  VAL  12          HG2       VAL  12 -10.911   3.910   9.197
   97    H    PHE  13           H        PHE  13  -6.951   4.405   5.894
   98    HA   PHE  13           HA       PHE  13  -8.134   5.515   3.465
   99   1HB   PHE  13          HB1       PHE  13  -5.246   5.124   4.309
  100   2HB   PHE  13          HB2       PHE  13  -5.774   5.906   2.836
  101    HD1  PHE  13           HD1      PHE  13  -6.438   8.194   2.781
  102    HD2  PHE  13           HD2      PHE  13  -5.975   6.210   6.585
  103    HE1  PHE  13           HE1      PHE  13  -6.575  10.373   3.945
  104    HE2  PHE  13           HE2      PHE  13  -6.115   8.390   7.738
  105    HZ   PHE  13           HZ       PHE  13  -6.406  10.480   6.423
  106    H    GLY  14           H        GLY  14  -7.143   2.329   4.418
  107   1HA   GLY  14          HA1       GLY  14  -5.743   1.202   2.332
  108   2HA   GLY  14          HA2       GLY  14  -6.974   0.397   3.276
  109    HA   PRO  15           HA       PRO  15  -9.074   1.747  -0.778
  110   1HB   PRO  15          HB1       PRO  15  -7.011   1.668  -2.913
  111   2HB   PRO  15          HB2       PRO  15  -8.153   2.949  -2.477
  112   1HG   PRO  15          HG1       PRO  15  -5.447   3.127  -1.972
  113   2HG   PRO  15          HG2       PRO  15  -6.687   3.882  -0.930
  114   1HD   PRO  15          HD1       PRO  15  -5.317   1.215  -0.518
  115   2HD   PRO  15          HD2       PRO  15  -5.507   2.550   0.625
  116    H    THR  16           H        THR  16  -6.483  -0.208  -2.438
  117    HA   THR  16           HA       THR  16  -8.530  -2.105  -3.208
  118    HB   THR  16           HB       THR  16  -5.567  -2.238  -3.855
  119    HG1  THR  16           HG1      THR  16  -6.003  -0.760  -5.495
  120   1HG2  THR  16          HG2       THR  16  -8.074  -2.843  -5.494
  121   2HG2  THR  16          HG2       THR  16  -6.391  -3.060  -6.020
  122   3HG2  THR  16          HG2       THR  16  -7.039  -4.064  -4.719
  123    H    GLY  17           H        GLY  17  -8.392  -2.278  -0.550
  124   1HA   GLY  17          HA1       GLY  17  -8.025  -3.569   1.291
  125   2HA   GLY  17          HA2       GLY  17  -7.892  -4.933   0.173
  126    H    CYS  18           H        CYS  18  -5.765  -5.278  -0.808
  127    HA   CYS  18           HA       CYS  18  -3.647  -5.198   1.262
  128   1HB   CYS  18          HB1       CYS  18  -4.064  -7.346   0.207
  129   2HB   CYS  18          HB2       CYS  18  -3.841  -6.646  -1.416
  130    HG   CYS  18           HG       CYS  18  -1.728  -8.026  -0.758
  131    H    ASN  19           H        ASN  19  -3.954  -4.470  -2.248
  132    HA   ASN  19           HA       ASN  19  -3.142  -2.850  -3.548
  133   1HB   ASN  19          HB1       ASN  19  -1.784  -1.448  -1.234
  134   2HB   ASN  19          HB2       ASN  19  -2.187  -0.830  -2.821
  135   1HD2  ASN  19          HD2       ASN  19  -3.570  -1.882   0.265
  136   2HD2  ASN  19          HD2       ASN  19  -5.110  -1.060   0.068
  137    H    LEU  20           H        LEU  20  -1.480  -5.290  -2.458
  138    HA   LEU  20           HA       LEU  20   1.262  -4.602  -2.763
  139   1HB   LEU  20          HB1       LEU  20   0.590  -6.595  -1.659
  140   2HB   LEU  20          HB2       LEU  20  -0.199  -7.252  -3.099
  141    HG   LEU  20           HG       LEU  20   2.752  -6.583  -3.225
  142   1HD1  LEU  20          HD2       LEU  20   1.608  -9.049  -1.852
  143   2HD1  LEU  20          HD2       LEU  20   3.317  -8.789  -2.266
  144   3HD1  LEU  20          HD2       LEU  20   2.532  -7.746  -1.072
  145   1HD2  LEU  20          HD1       LEU  20   1.635  -7.490  -5.273
  146   2HD2  LEU  20          HD1       LEU  20   2.815  -8.627  -4.627
  147   3HD2  LEU  20          HD1       LEU  20   1.085  -8.893  -4.339
  148    H    GLU  21           H        GLU  21  -1.188  -5.443  -5.186
  149    HA   GLU  21           HA       GLU  21   0.740  -5.956  -7.318
  150   1HB   GLU  21          HB1       GLU  21  -1.632  -5.439  -8.576
  151   2HB   GLU  21          HB2       GLU  21  -1.087  -7.017  -8.022
  152   1HG   GLU  21          HG1       GLU  21  -3.403  -6.675  -7.444
  153   2HG   GLU  21          HG2       GLU  21  -2.450  -6.838  -5.977
  154    H    GLY  22           H        GLY  22  -1.412  -3.327  -6.247
  155   1HA   GLY  22          HA1       GLY  22  -0.720  -1.498  -8.337
  156   2HA   GLY  22          HA2       GLY  22  -1.424  -1.076  -6.771
  157    H    PHE  23           H        PHE  23   0.464  -1.740  -4.950
  158    HA   PHE  23           HA       PHE  23   2.355   0.497  -5.512
  159   1HB   PHE  23          HB1       PHE  23   0.910  -0.411  -3.016
  160   2HB   PHE  23          HB2       PHE  23   2.246   0.731  -3.004
  161    HD1  PHE  23           HD1      PHE  23   1.832   3.029  -3.260
  162    HD2  PHE  23           HD2      PHE  23  -1.095   0.195  -4.682
  163    HE1  PHE  23           HE1      PHE  23   0.351   4.891  -3.946
  164    HE2  PHE  23           HE2      PHE  23  -2.557   2.062  -5.388
  165    HZ   PHE  23           HZ       PHE  23  -1.841   4.415  -5.018
  166    H    PHE  24           H        PHE  24   2.308  -2.538  -3.483
  167    HA   PHE  24           HA       PHE  24   5.061  -1.978  -2.792
  168   1HB   PHE  24          HB1       PHE  24   3.734  -4.632  -2.363
  169   2HB   PHE  24          HB2       PHE  24   5.002  -3.867  -1.413
  170    HD1  PHE  24           HD1      PHE  24   2.313  -5.086  -0.420
  171    HD2  PHE  24           HD2      PHE  24   3.565  -1.041  -1.241
  172    HE1  PHE  24           HE1      PHE  24   0.206  -4.227   0.562
  173    HE2  PHE  24           HE2      PHE  24   1.427  -0.196  -0.340
  174    HZ   PHE  24           HZ       PHE  24  -0.289  -1.805   0.509
  175    H    ALA  25           H        ALA  25   3.533  -4.107  -5.168
  176    HA   ALA  25           HA       ALA  25   5.837  -5.538  -6.028
  177   1HB   ALA  25          HB1       ALA  25   4.569  -5.829  -8.131
  178   2HB   ALA  25          HB2       ALA  25   3.556  -6.147  -6.709
  179   3HB   ALA  25          HB3       ALA  25   3.390  -4.615  -7.596
  180    H    THR  26           H        THR  26   4.453  -2.346  -7.092
  181    HA   THR  26           HA       THR  26   6.595  -1.894  -9.002
  182    HB   THR  26           HB       THR  26   5.461   0.389  -9.049
  183    HG1  THR  26           HG1      THR  26   3.208  -0.123  -7.890
  184   1HG2  THR  26          HG2       THR  26   3.638  -2.045  -9.400
  185   2HG2  THR  26          HG2       THR  26   3.417  -0.447 -10.138
  186   3HG2  THR  26          HG2       THR  26   4.810  -1.445 -10.592
  187    H    LEU  27           H        LEU  27   5.608  -0.019  -6.128
  188    HA   LEU  27           HA       LEU  27   8.323   1.060  -5.749
  189   1HB   LEU  27          HB1       LEU  27   5.748   1.400  -4.149
  190   2HB   LEU  27          HB2       LEU  27   7.303   2.117  -3.738
  191    HG   LEU  27           HG       LEU  27   7.335   3.347  -5.897
  192   1HD1  LEU  27          HD1       LEU  27   4.493   2.254  -6.140
  193   2HD1  LEU  27          HD1       LEU  27   5.079   3.685  -7.013
  194   3HD1  LEU  27          HD1       LEU  27   5.815   2.118  -7.327
  195   1HD2  LEU  27          HD2       LEU  27   6.600   4.367  -3.769
  196   2HD2  LEU  27          HD2       LEU  27   5.694   5.030  -5.137
  197   3HD2  LEU  27          HD2       LEU  27   4.936   3.824  -4.075
  198    H    GLY  28           H        GLY  28   9.033  -1.327  -5.651
  199   1HA   GLY  28          HA1       GLY  28  10.287  -1.783  -3.262
  200   2HA   GLY  28          HA2       GLY  28   8.756  -2.648  -3.039
  201    H    GLY  29           H        GLY  29   8.108  -3.991  -5.077
  202   1HA   GLY  29          HA1       GLY  29  10.057  -6.068  -5.361
  203   2HA   GLY  29          HA2       GLY  29   8.552  -5.914  -6.276
  204    H    GLU  30           H        GLU  30   8.934  -3.562  -7.575
  205    HA   GLU  30           HA       GLU  30   9.620  -2.673  -9.459
  206   1HB   GLU  30          HB1       GLU  30  12.013  -2.836  -8.820
  207   2HB   GLU  30          HB2       GLU  30  12.085  -4.475  -9.495
  208   1HG   GLU  30          HG1       GLU  30  13.033  -2.761 -11.002
  209   2HG   GLU  30          HG2       GLU  30  11.697  -3.641 -11.739
  210    H    ILE  31           H        ILE  31   9.432  -3.287 -11.753
  211    HA   ILE  31           HA       ILE  31   8.093  -5.958 -12.094
  212    HB   ILE  31           HB       ILE  31   6.376  -4.804 -13.434
  213   1HG1  ILE  31          HG1       ILE  31   7.421  -2.180 -12.273
  214   2HG1  ILE  31          HG1       ILE  31   7.840  -2.737 -13.897
  215   1HG2  ILE  31          HG2       ILE  31   6.548  -3.747 -10.583
  216   2HG2  ILE  31          HG2       ILE  31   5.078  -3.989 -11.546
  217   3HG2  ILE  31          HG2       ILE  31   6.038  -5.382 -11.038
  218   1HD1  ILE  31          HD1       ILE  31   5.014  -2.172 -12.915
  219   2HD1  ILE  31          HD1       ILE  31   5.983  -1.190 -14.026
  220   3HD1  ILE  31          HD1       ILE  31   5.448  -2.810 -14.518