*HEADER    METAL BINDING PROTEIN                   20-NOV-03   1V50              
*TITLE     SOLUTION STRUCTURE OF PHOSPHORYLATED N-TERMINAL FRAGMENT OF           
*TITLE    2 S100C/A11 PROTEIN                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALGIZZARIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL FRAGMENT;                                       
*COMPND   5 SYNONYM: S100C PROTEIN, MLN 70, S100C/A11;                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THE PEPTIDE WAS CHEMICALLY            
*SOURCE   4 SYNTHESIZED. THE SEQUENCE OF THE PEPTIDE IS NATURALLY                
*SOURCE   5 FOUND IN HOMO SAPIENS (HUMAN)                                        
*KEYWDS    ALPHA-HELIX                                                           
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    T.KOUNO, M.MIZUGUCHI, M.SAKAGUCHI, E.MAKINO, N.HUH, K.KAWANO          
*REVDAT   1   22-MAR-05 1V50    0                                                

set message=off echo=off end

assign (resid   1 and name   HN) (resid   1 and name  HB1)  3.34  0.75  0.75
assign (resid   1 and name   HN) (resid   1 and name  HG*)  3.28  0.83  0.83
assign (resid   2 and name   HA) (resid   2 and name   HB)  2.60  0.50  0.50
assign (resid   2 and name   HA) (resid   2 and name HG12)  3.17  0.62  0.61
assign (resid   2 and name   HN) (resid   1 and name   HA)  2.76  0.57  0.58
assign (resid   2 and name   HN) (resid   1 and name  HB2)  3.72  0.91  0.92
assign (resid   2 and name   HN) (resid   2 and name   HA)  3.12  0.68  0.67
assign (resid   2 and name   HN) (resid   2 and name   HB)  2.87  0.60  0.60
assign (resid   2 and name   HN) (resid   2 and name HD1*)  4.20  1.29  1.29
assign (resid   2 and name   HN) (resid   2 and name HG11)  3.36  0.76  0.76
assign (resid   2 and name   HN) (resid   2 and name HG12)  3.24  0.72  0.71
assign (resid   2 and name   HN) (resid   2 and name HG2*)  3.62  1.02  1.01
assign (resid   3 and name   HA) (resid   3 and name  HB1)  2.37  0.45  0.45
assign (resid   3 and name   HA) (resid   3 and name  HB2)  2.37  0.45  0.45
assign (resid   3 and name   HN) (resid   2 and name   HA)  2.66  0.55  0.54
assign (resid   3 and name   HN) (resid   2 and name   HB)  3.12  0.68  0.67
assign (resid   3 and name   HN) (resid   2 and name HG11)  3.80  0.96  0.96
assign (resid   3 and name   HN) (resid   2 and name HG2*)  3.62  1.02  1.01
assign (resid   3 and name   HN) (resid   3 and name  HB1)  3.44  0.79  0.79
assign (resid   3 and name   HN) (resid   3 and name  HB2)  3.46  0.80  0.80
assign (resid   4 and name   HA) (resid   4 and name  HB*)  2.56  0.61  0.60
assign (resid   4 and name   HA) (resid   5 and name  HD*)  2.23  0.53  0.54
assign (resid   4 and name   HN) (resid   3 and name   HA)  3.58  0.85  0.84
assign (resid   4 and name   HN) (resid   3 and name   HN)  3.07  0.66  0.66
assign (resid   6 and name   HB) (resid   6 and name   HA)  2.26  0.43  0.43
assign (resid   6 and name   HB) (resid   6 and name HG2*)  2.52  0.68  0.67
assign (resid   6 and name   HN) (resid   5 and name  HB2)  3.56  0.84  0.84
assign (resid   6 and name   HN) (resid   5 and name  HG*)  3.50  0.91  0.91
assign (resid   6 and name   HN) (resid   6 and name HG2*)  3.01  0.82  0.83
assign (resid   7 and name   HA) (resid  10 and name  HB*)  2.52  0.60  0.60
assign (resid   7 and name   HA) (resid   7 and name  HB*)  2.46  0.58  0.58
assign (resid   7 and name   HA) (resid   7 and name  HG*)  2.79  0.65  0.66
assign (resid   7 and name   HN) (resid   6 and name   HA)  3.28  0.73  0.73
assign (resid   7 and name   HN) (resid   6 and name HG2*)  3.79  1.08  1.08
assign (resid   7 and name   HN) (resid   6 and name   HN)  3.34  0.75  0.75
assign (resid   7 and name   HN) (resid   7 and name   HA)  3.04  0.65  0.66
assign (resid   7 and name   HN) (resid   7 and name  HB*)  2.74  0.68  0.68
assign (resid   7 and name   HN) (resid   7 and name  HG*)  3.13  0.78  0.78
assign (resid   8 and name   HA) (resid   8 and name HG2*)  2.67  0.71  0.71
assign (resid   8 and name   HA) (resid  11 and name  HB1)  3.16  0.62  0.61
assign (resid   8 and name   HA) (resid  11 and name  HB2)  3.38  0.67  0.67
assign (resid   8 and name   HA) (resid  12 and name HG11)  3.52  0.70  0.70
assign (resid   8 and name   HB) (resid   8 and name   HA)  2.77  0.52  0.52
assign (resid   8 and name   HN) (resid   8 and name   HA)  3.04  0.65  0.65
assign (resid   8 and name   HN) (resid   8 and name   HB)  3.42  0.78  0.79
assign (resid   8 and name   HN) (resid   8 and name HG2*)  3.32  0.91  0.91
assign (resid   8 and name   HN) (resid   9 and name   HN)  3.04  0.65  0.65
assign (resid   8 and name   HN) (resid   7 and name   HA)  3.04  0.65  0.66
assign (resid   8 and name   HN) (resid   7 and name  HB*)  3.21  0.81  0.80
assign (resid   8 and name   HN) (resid   7 and name  HG*)  3.96  1.11  1.11
assign (resid   8 and name   HN) (resid   7 and name   HN)  3.23  0.71  0.71
assign (resid   9 and name   HA) (resid  12 and name   HB)  2.73  0.52  0.52
assign (resid   9 and name   HA) (resid  12 and name HG11)  3.71  0.76  0.76
assign (resid   9 and name   HN) (resid   8 and name   HA)  3.07  0.66  0.66
assign (resid   9 and name   HN) (resid   8 and name   HB)  3.75  0.93  0.93
assign (resid   9 and name   HN) (resid   8 and name HG2*)  3.41  0.94  0.94
assign (resid   9 and name   HN) (resid   9 and name   HA)  2.73  0.56  0.56
assign (resid   9 and name   HN) (resid   9 and name  HB*)  2.94  0.73  0.73
assign (resid   9 and name   HN) (resid   9 and name  HG1)  3.10  0.67  0.67
assign (resid   9 and name   HN) (resid   9 and name  HG2)  3.31  0.74  0.74
assign (resid  10 and name   HA) (resid  10 and name  HD*)  3.15  0.73  0.73
assign (resid  10 and name   HA) (resid  10 and name  HG1)  2.94  0.56  0.56
assign (resid  10 and name   HA) (resid  10 and name  HG2)  2.84  0.54  0.54
assign (resid  10 and name   HA) (resid  13 and name  HB*)  2.52  0.60  0.60
assign (resid  10 and name  HD*) (resid  10 and name  HB*)  2.87  0.79  0.78
assign (resid  10 and name   HE) (resid  10 and name  HB*)  3.75  1.00  1.00
assign (resid  10 and name   HE) (resid  10 and name  HG1)  3.77  0.94  0.94
assign (resid  10 and name   HE) (resid  10 and name  HG2)  3.93  1.03  1.03
assign (resid  10 and name   HN) (resid  10 and name   HA)  2.92  0.62  0.61
assign (resid  10 and name   HN) (resid  10 and name  HB*)  2.72  0.67  0.68
assign (resid  10 and name   HN) (resid  10 and name  HD*)  4.20  1.25  1.25
assign (resid  10 and name   HN) (resid  10 and name  HG1)  2.91  0.62  0.61
assign (resid  10 and name   HN) (resid  10 and name  HG2)  3.31  0.74  0.75
assign (resid  11 and name   HA) (resid  14 and name  HB1)  3.19  0.62  0.62
assign (resid  11 and name   HA) (resid  14 and name  HB2)  3.19  0.62  0.62
assign (resid  11 and name   HN) (resid   8 and name   HA)  3.46  0.80  0.80
assign (resid  11 and name   HN) (resid  10 and name   HA)  2.96  0.62  0.62
assign (resid  11 and name   HN) (resid  10 and name  HB*)  2.50  0.62  0.62
assign (resid  11 and name   HN) (resid  10 and name   HN)  2.33  0.48  0.47
assign (resid  11 and name   HN) (resid  11 and name   HA)  2.92  0.62  0.61
assign (resid  11 and name   HN) (resid  11 and name  HB1)  2.67  0.55  0.55
assign (resid  11 and name   HN) (resid  11 and name  HB2)  2.87  0.61  0.60
assign (resid  12 and name   HA) (resid  12 and name   HB)  2.63  0.50  0.50
assign (resid  12 and name   HA) (resid  12 and name HD1*)  2.99  0.77  0.77
assign (resid  12 and name   HA) (resid  12 and name HG11)  3.05  0.59  0.59
assign (resid  12 and name   HA) (resid  12 and name HG12)  2.94  0.56  0.56
assign (resid  12 and name   HA) (resid  12 and name HG2*)  2.77  0.73  0.73
assign (resid  12 and name   HA) (resid  15 and name   HG)  3.42  0.67  0.67
assign (resid  12 and name   HN) (resid   8 and name HG2*)  3.46  0.96  0.96
assign (resid  12 and name   HN) (resid   9 and name   HA)  3.20  0.70  0.70
assign (resid  12 and name   HN) (resid  12 and name   HA)  2.58  0.54  0.54
assign (resid  12 and name   HN) (resid  12 and name   HB)  2.35  0.48  0.48
assign (resid  12 and name   HN) (resid  12 and name HD1*)  3.71  1.05  1.05
assign (resid  12 and name   HN) (resid  12 and name HG11)  2.73  0.56  0.56
assign (resid  12 and name   HN) (resid  12 and name HG12)  2.97  0.63  0.64
assign (resid  12 and name   HN) (resid  12 and name HG2*)  3.13  0.85  0.86
assign (resid  13 and name   HA) (resid  16 and name HD1*)  3.15  0.81  0.81
assign (resid  13 and name   HA) (resid  16 and name HG11)  2.82  0.54  0.54
assign (resid  13 and name   HA) (resid  16 and name HG12)  3.54  0.71  0.71
assign (resid  13 and name   HA) (resid  16 and name HG2*)  3.13  0.80  0.80
assign (resid  13 and name   HN) (resid  10 and name   HA)  4.00  1.07  1.08
assign (resid  13 and name   HN) (resid  12 and name   HA)  3.05  0.65  0.66
assign (resid  13 and name   HN) (resid  12 and name   HB)  2.92  0.62  0.62
assign (resid  13 and name   HN) (resid  12 and name HG11)  4.09  1.12  1.12
assign (resid  13 and name   HN) (resid  12 and name HG12)  4.29  1.26  1.26
assign (resid  13 and name   HN) (resid  12 and name HG2*)  3.41  0.94  0.94
assign (resid  13 and name   HN) (resid  12 and name   HN)  2.66  0.55  0.54
assign (resid  13 and name   HN) (resid  13 and name   HA)  2.76  0.57  0.57
assign (resid  13 and name   HN) (resid  13 and name  HB*)  2.67  0.67  0.67
assign (resid  13 and name   HN) (resid  13 and name  HG1)  3.33  0.75  0.75
assign (resid  13 and name   HN) (resid  13 and name  HG2)  3.58  0.85  0.84
assign (resid  13 and name   HN) (resid  14 and name   HN)  2.88  0.60  0.61
assign (resid  14 and name   HA) (resid  14 and name  HB1)  2.23  0.42  0.42
assign (resid  14 and name   HA) (resid  14 and name  HB2)  2.31  0.44  0.44
assign (resid  14 and name   HA) (resid  17 and name  HB*)  2.77  0.73  0.73
assign (resid  14 and name   HN) (resid  11 and name   HA)  3.91  1.02  1.01
assign (resid  14 and name   HN) (resid  13 and name  HB*)  3.15  0.79  0.79
assign (resid  14 and name   HN) (resid  14 and name   HA)  3.22  0.71  0.71
assign (resid  14 and name   HN) (resid  14 and name  HB2)  3.26  0.72  0.72
assign (resid  15 and name   HA) (resid  15 and name  HB1)  2.57  0.49  0.49
assign (resid  15 and name   HA) (resid  15 and name  HB2)  2.89  0.55  0.55
assign (resid  15 and name   HA) (resid  15 and name HD2*)  2.60  0.70  0.69
assign (resid  15 and name   HA) (resid  15 and name   HG)  2.71  0.52  0.52
assign (resid  15 and name   HN) (resid  12 and name   HA)  3.44  0.79  0.79
assign (resid  15 and name   HN) (resid  14 and name  HB1)  3.50  0.81  0.81
assign (resid  15 and name   HN) (resid  15 and name   HA)  2.94  0.62  0.62
assign (resid  15 and name   HN) (resid  15 and name  HB1)  3.19  0.70  0.70
assign (resid  15 and name   HN) (resid  15 and name  HB2)  2.70  0.56  0.56
assign (resid  15 and name   HN) (resid  15 and name HD1*)  3.68  1.04  1.04
assign (resid  15 and name   HN) (resid  15 and name HD2*)  3.81  1.09  1.09
assign (resid  15 and name   HN) (resid  15 and name   HG)  2.85  0.60  0.60
assign (resid  15 and name   HN) (resid  16 and name   HN)  2.56  0.52  0.52
assign (resid  16 and name   HA) (resid  16 and name   HB)  2.53  0.48  0.48
assign (resid  16 and name   HA) (resid  16 and name HG11)  3.19  0.62  0.62
assign (resid  16 and name   HA) (resid  16 and name HG12)  3.08  0.60  0.59
assign (resid  16 and name   HA) (resid  16 and name HG2*)  2.52  0.68  0.67
assign (resid  16 and name   HN) (resid  13 and name   HA)  3.65  0.88  0.88
assign (resid  16 and name   HN) (resid  15 and name   HA)  3.42  0.78  0.79
assign (resid  16 and name   HN) (resid  15 and name  HB1)  3.71  0.91  0.91
assign (resid  16 and name   HN) (resid  15 and name  HB2)  3.38  0.77  0.76
assign (resid  16 and name   HN) (resid  16 and name   HA)  2.60  0.54  0.54
assign (resid  16 and name   HN) (resid  16 and name   HB)  2.84  0.59  0.60
assign (resid  16 and name   HN) (resid  16 and name HD1*)  3.78  1.08  1.08
assign (resid  16 and name   HN) (resid  16 and name HG11)  2.92  0.62  0.61
assign (resid  16 and name   HN) (resid  16 and name HG12)  3.10  0.67  0.67
assign (resid  17 and name   HN) (resid  16 and name HG2*)  3.13  0.85  0.86
assign (resid  17 and name   HN) (resid  17 and name   HA)  2.97  0.63  0.64
assign (resid  17 and name   HN) (resid  17 and name  HB*)  2.90  0.79  0.79

set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
    1    H    LYS   1           HT1      LYS   1 -14.622   1.102  -4.963
    2    HA   LYS   1           HA       LYS   1 -14.046   3.363  -4.956
    3   1HB   LYS   1          HB2       LYS   1 -15.732   5.066  -4.306
    4   2HB   LYS   1          HB1       LYS   1 -16.298   4.082  -5.652
    5   1HG   LYS   1          HG2       LYS   1 -18.102   3.450  -4.464
    6   2HG   LYS   1          HG1       LYS   1 -17.065   2.802  -3.194
    7   1HD   LYS   1          HD2       LYS   1 -17.195   4.717  -1.914
    8   2HD   LYS   1          HD1       LYS   1 -17.414   5.766  -3.315
    9   1HE   LYS   1          HE2       LYS   1 -19.720   5.197  -3.520
   10   2HE   LYS   1          HE1       LYS   1 -19.546   3.794  -2.447
   11   1HZ   LYS   1          HZ1       LYS   1 -19.087   6.623  -1.648
   12   2HZ   LYS   1          HZ2       LYS   1 -18.974   5.265  -0.633
   13   3HZ   LYS   1          HZ3       LYS   1 -20.477   5.724  -1.278
   14    H    ILE   2           HN       ILE   2 -13.701   1.229  -3.022
   15    HA   ILE   2           HA       ILE   2 -14.306   2.048  -0.364
   16    HB   ILE   2           HB       ILE   2 -13.787  -0.226  -1.409
   17   1HG1  ILE   2          HG12      ILE   2 -12.440  -0.922   0.602
   18   2HG1  ILE   2          HG11      ILE   2 -12.485   0.762   1.095
   19   1HG2  ILE   2          HG21      ILE   2 -10.922   0.641  -0.939
   20   2HG2  ILE   2          HG22      ILE   2 -11.668   0.613  -2.536
   21   3HG2  ILE   2          HG23      ILE   2 -11.482  -0.884  -1.624
   22   1HD1  ILE   2          HD11      ILE   2 -14.987  -0.786   0.404
   23   2HD1  ILE   2          HD12      ILE   2 -14.865   0.750   1.263
   24   3HD1  ILE   2          HD13      ILE   2 -14.339  -0.741   2.044
   25    H    SER   3           HN       SER   3 -11.788   2.861  -2.579
   26    HA   SER   3           HA       SER   3 -10.063   4.465  -2.470
   27   1HB   SER   3          HB2       SER   3 -11.960   5.215  -0.524
   28   2HB   SER   3          HB1       SER   3 -10.394   5.310   0.273
   29    HG   SER   3           HG       SER   3 -10.937   7.240  -0.845
   30    H    SER   4           HN       SER   4 -10.309   3.116   0.858
   31    HA   SER   4           HA       SER   4  -8.733   1.975   2.175
   32   1HB   SER   4          HB2       SER   4  -8.964   0.593  -0.033
   33   2HB   SER   4          HB1       SER   4  -7.361   1.222  -0.402
   34    HG   SER   4           HG       SER   4  -7.129  -0.698   0.712
   35    HA   PRO   5           HA       PRO   5  -5.633   5.325   1.774
   36   1HB   PRO   5          HB2       PRO   5  -5.738   6.105   4.387
   37   2HB   PRO   5          HB1       PRO   5  -6.883   6.682   3.162
   38   1HG   PRO   5          HG2       PRO   5  -7.251   4.658   5.288
   39   2HG   PRO   5          HG1       PRO   5  -8.418   5.787   4.586
   40   1HD   PRO   5          HD2       PRO   5  -8.212   3.079   3.985
   41   2HD   PRO   5          HD1       PRO   5  -9.059   4.297   3.008
   42    H    THR   6           HN       THR   6  -5.296   2.306   2.521
   43    HA   THR   6           HA       THR   6  -3.301   2.301   4.660
   44    HB   THR   6           HB       THR   6  -3.076  -0.125   3.653
   45    HG1  THR   6           HG1      THR   6  -4.130  -0.066   1.794
   46   1HG2  THR   6          HG21      THR   6  -5.818   0.424   4.682
   47   2HG2  THR   6          HG22      THR   6  -4.454   0.925   5.683
   48   3HG2  THR   6          HG23      THR   6  -4.631  -0.767   5.217
   49    H    GLU   7           HN       GLU   7  -1.681   3.807   3.768
   50    HA   GLU   7           HA       GLU   7  -0.431   3.373   1.181
   51   1HB   GLU   7          HB2       GLU   7   0.107   5.002   3.658
   52   2HB   GLU   7          HB1       GLU   7   1.296   4.952   2.356
   53   1HG   GLU   7          HG2       GLU   7   0.053   6.300   1.037
   54   2HG   GLU   7          HG1       GLU   7  -1.413   5.371   1.347
   55    H    TPO   8           HN       TPO   8  -0.053   1.801   4.250
   56    HA   TPO   8           HA       TPO   8   2.706   1.156   4.259
   57    HB   TPO   8           HB       TPO   8   0.369  -0.562   5.176
   58   1HG2  TPO   8          HG21      TPO   8   3.063  -0.261   6.456
   59   2HG2  TPO   8          HG22      TPO   8   2.811  -1.397   5.131
   60   3HG2  TPO   8          HG23      TPO   8   1.894  -1.570   6.628
   61    H    GLU   9           HN       GLU   9  -0.011  -0.371   2.506
   62    HA   GLU   9           HA       GLU   9   1.459  -2.681   1.598
   63   1HB   GLU   9          HB2       GLU   9  -0.458  -2.979   0.132
   64   2HB   GLU   9          HB1       GLU   9  -1.039  -2.391   1.687
   65   1HG   GLU   9          HG2       GLU   9  -2.055  -0.695   0.611
   66   2HG   GLU   9          HG1       GLU   9  -0.470  -0.085   0.143
   67    H    ARG  10           HN       ARG  10   1.329   0.649   0.505
   68    HA   ARG  10           HA       ARG  10   2.473   0.088  -2.144
   69   1HB   ARG  10          HB2       ARG  10   1.664   2.489  -0.516
   70   2HB   ARG  10          HB1       ARG  10   2.630   2.706  -1.977
   71   1HG   ARG  10          HG2       ARG  10   0.281   0.900  -2.206
   72   2HG   ARG  10          HG1       ARG  10  -0.064   2.614  -2.011
   73   1HD   ARG  10          HD2       ARG  10   1.581   3.052  -3.911
   74   2HD   ARG  10          HD1       ARG  10   1.572   1.301  -4.198
   75    HE   ARG  10           HE       ARG  10  -0.660   3.133  -4.719
   76   1HH1  ARG  10          HH21      ARG  10   0.018   0.852  -6.514
   77   2HH1  ARG  10          HH22      ARG  10  -1.220  -0.301  -6.142
   78   1HH2  ARG  10          HH11      ARG  10  -2.128   1.240  -3.160
   79   2HH2  ARG  10          HH12      ARG  10  -2.438  -0.081  -4.237
   80    H    CYS  11           HN       CYS  11   3.582   1.515   0.950
   81    HA   CYS  11           HA       CYS  11   6.295   2.031   0.075
   82   1HB   CYS  11          HB2       CYS  11   4.945   3.016   2.033
   83   2HB   CYS  11          HB1       CYS  11   5.326   1.529   2.901
   84    HG   CYS  11           HG       CYS  11   7.337   2.933   3.503
   85    H    ILE  12           HN       ILE  12   4.747  -0.710   1.814
   86    HA   ILE  12           HA       ILE  12   7.128  -2.186   2.358
   87    HB   ILE  12           HB       ILE  12   4.176  -2.694   2.045
   88   1HG1  ILE  12          HG12      ILE  12   5.388  -1.571   4.062
   89   2HG1  ILE  12          HG11      ILE  12   4.179  -2.807   4.385
   90   1HG2  ILE  12          HG21      ILE  12   4.719  -5.011   3.020
   91   2HG2  ILE  12          HG22      ILE  12   6.342  -4.744   2.385
   92   3HG2  ILE  12          HG23      ILE  12   4.959  -4.759   1.293
   93   1HD1  ILE  12          HD11      ILE  12   7.113  -3.487   4.121
   94   2HD1  ILE  12          HD12      ILE  12   5.832  -4.453   4.854
   95   3HD1  ILE  12          HD13      ILE  12   6.408  -2.995   5.662
   96    H    GLU  13           HN       GLU  13   4.826  -2.255  -0.394
   97    HA   GLU  13           HA       GLU  13   6.185  -4.340  -1.873
   98   1HB   GLU  13          HB2       GLU  13   4.077  -2.259  -2.343
   99   2HB   GLU  13          HB1       GLU  13   4.807  -3.017  -3.758
  100   1HG   GLU  13          HG2       GLU  13   3.841  -4.724  -1.475
  101   2HG   GLU  13          HG1       GLU  13   2.697  -4.127  -2.678
  102    H    SER  14           HN       SER  14   6.547  -0.806  -1.706
  103    HA   SER  14           HA       SER  14   8.160  -0.421  -4.041
  104   1HB   SER  14          HB2       SER  14   8.369   1.729  -3.184
  105   2HB   SER  14          HB1       SER  14   7.009   1.176  -2.224
  106    HG   SER  14           HG       SER  14   8.740   2.142  -1.000
  107    H    LEU  15           HN       LEU  15   8.960  -1.385  -0.711
  108    HA   LEU  15           HA       LEU  15  11.854  -1.437  -1.147
  109   1HB   LEU  15          HB2       LEU  15  10.020  -2.601   0.983
  110   2HB   LEU  15          HB1       LEU  15  11.778  -2.558   1.101
  111    HG   LEU  15           HG       LEU  15  10.181  -0.042   0.617
  112   1HD1  LEU  15          HD11      LEU  15  10.951  -1.251   3.291
  113   2HD1  LEU  15          HD12      LEU  15   9.308  -1.085   2.672
  114   3HD1  LEU  15          HD13      LEU  15  10.256   0.353   3.055
  115   1HD2  LEU  15          HD21      LEU  15  12.627   0.001   0.224
  116   2HD2  LEU  15          HD22      LEU  15  12.896  -0.596   1.862
  117   3HD2  LEU  15          HD23      LEU  15  12.188   0.999   1.610
  118    H    ILE  16           HN       ILE  16   9.175  -3.770  -1.180
  119    HA   ILE  16           HA       ILE  16  10.684  -6.192  -1.435
  120    HB   ILE  16           HB       ILE  16   7.913  -5.276  -2.254
  121   1HG1  ILE  16          HG12      ILE  16   8.782  -7.246  -0.123
  122   2HG1  ILE  16          HG11      ILE  16   8.588  -5.522   0.188
  123   1HG2  ILE  16          HG21      ILE  16   8.525  -7.092  -3.772
  124   2HG2  ILE  16          HG22      ILE  16   7.363  -7.678  -2.584
  125   3HG2  ILE  16          HG23      ILE  16   9.074  -8.074  -2.413
  126   1HD1  ILE  16          HD11      ILE  16   6.253  -5.597  -0.342
  127   2HD1  ILE  16          HD12      ILE  16   6.561  -6.962   0.731
  128   3HD1  ILE  16          HD13      ILE  16   6.390  -7.225  -1.004
  129    H    ALA  17           HN       ALA  17   9.371  -3.935  -3.878
  130    HA   ALA  17           HA       ALA  17  10.322  -5.468  -6.166
  131   1HB   ALA  17          HB1       ALA  17   8.407  -4.034  -6.387
  132   2HB   ALA  17          HB2       ALA  17   9.696  -3.271  -7.318
  133   3HB   ALA  17          HB3       ALA  17   9.281  -2.656  -5.718