*HEADER    DE NOVO PROTEIN                         03-DEC-99   1DJF              
*TITLE     NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL              
*TITLE    2 BASIC PEPTIDE                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLN-ALA-PRO-ALA-TYR-LYS-LYS-ALA-ALA-LYS-LYS-LEU-           
*COMPND   3 ALA-GLU-SER;                                                         
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: HUMAN PLATELET FACTOR 4, SEGMENT 56-70;                    
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES;                                                       
*COMPND   8 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS MODEL PEPTIDE WAS CHEMICALLY                     
*SOURCE   4 SYNTHESIZED.                                                         
*KEYWDS    HYDROPHILIC AMPHIPATHIC BASIC HELIX PEPTIDE MODEL                     
*EXPDTA    NMR                                                                   
*AUTHOR    R.MONTSERRET, M.J.MCLEISH, A.BOCKMANN, C.GEOURJON, F.PENIN            
*REVDAT   1   10-DEC-99 1DJF    0                                                




! =======================================================
! ==        Analyse des structures Xplor               ==
! ==           IBCP-CNRS UPR 412, Lyon                 ==
! ==        by C. Geourjon (geourjon@ibcp.fr)          ==
! ==           G. Del?age (deleage@ibcp.fr)            ==
! =======================================================                                                                   
assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.8 1.0 0.3
assign (resid    1 and  name HB2  )(resid    2 and  name HN   ) 5.0 3.2 0.5                                                               
assign (resid    2 and  name HN   )(resid    3 and  name HD1  ) 5.0 3.2 0.5
assign (resid    2 and  name HN   )(resid    3 and  name HD2  ) 3.9 2.1 0.4
assign (resid    2 and  name HA   )(resid    3 and  name HD1  ) 3.9 2.1 0.4
assign (resid    2 and  name HA   )(resid    3 and  name HD2  ) 5.0 3.2 0.5
assign (resid    2 and  name HB#  )(resid    3 and  name HG#  ) 3.9 2.1 2.4
assign (resid    2 and  name HB#  )(resid    3 and  name HD1  ) 3.9 2.1 1.4
assign (resid    2 and  name HB#  )(resid    3 and  name HD2  ) 3.9 2.1 1.4                                                                      
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.8 1.0 0.3
assign (resid    3 and  name HB1  )(resid    4 and  name HN   ) 5.0 3.2 0.5
assign (resid    3 and  name HB2  )(resid    4 and  name HN   ) 3.9 2.1 0.4
assign (resid    3 and  name HD1  )(resid    4 and  name HN   ) 5.0 3.2 0.5
assign (resid    3 and  name HD2  )(resid    4 and  name HN   ) 3.9 2.1 0.4
assign (resid    3 and  name HG#  )(resid    4 and  name HN   ) 5.0 3.2 1.5
assign (resid    3 and  name HB1  )(resid    5 and  name HN   ) 6.0 4.2 0.5
assign (resid    3 and  name HB1  )(resid    5 and  name HD*  ) 6.0 4.2 2.5
assign (resid    3 and  name HB1  )(resid    5 and  name HE*  ) 6.0 4.2 2.5
assign (resid    3 and  name HG#  )(resid    5 and  name HN   ) 6.0 4.2 1.5
assign (resid    3 and  name HG#  )(resid    5 and  name HD*  ) 6.0 4.2 3.5
assign (resid    3 and  name HG#  )(resid    5 and  name HE*  ) 6.0 4.2 3.5
assign (resid    3 and  name HD2  )(resid    6 and  name HB#  ) 5.0 3.2 1.5
assign (resid    3 and  name HD2  )(resid    6 and  name HD#  ) 6.0 4.2 1.5
assign (resid    3 and  name HB1  )(resid    6 and  name HN   ) 6.0 4.2 0.5
assign (resid    3 and  name HG#  )(resid    6 and  name HN   ) 6.0 4.2 1.5                                                                          
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 2.8 1.0 0.3
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 3.9 2.1 0.4
assign (resid    4 and  name HB#  )(resid    5 and  name HN   ) 2.8 1.0 1.3
assign (resid    4 and  name HB#  )(resid    5 and  name HB#  ) 3.9 2.1 2.4
assign (resid    4 and  name HB#  )(resid    5 and  name HD*  ) 3.9 2.1 3.4
assign (resid    4 and  name HA   )(resid    6 and  name HN   ) 5.0 3.2 0.5
assign (resid    4 and  name HA   )(resid    7 and  name HN   ) 3.9 2.1 0.4                                                                           
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.8 1.0 0.3
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 3.9 2.1 0.4
assign (resid    5 and  name HB#  )(resid    6 and  name HN   ) 2.8 1.0 1.3
assign (resid    5 and  name HB#  )(resid    6 and  name HB#  ) 5.0 3.2 2.5
assign (resid    5 and  name HB#  )(resid    6 and  name HE#  ) 5.0 3.2 2.5
assign (resid    5 and  name HD*  )(resid    6 and  name HN   ) 5.0 3.2 2.5
assign (resid    5 and  name HD*  )(resid    6 and  name HA   ) 5.0 3.2 2.5
assign (resid    5 and  name HD*  )(resid    6 and  name HB#  ) 5.0 3.2 3.5
assign (resid    5 and  name HD*  )(resid    6 and  name HD#  ) 6.0 4.2 3.5
assign (resid    5 and  name HD*  )(resid    6 and  name HE#  ) 6.0 4.2 3.5
assign (resid    5 and  name HE*  )(resid    6 and  name HN   ) 5.0 3.2 2.5
assign (resid    5 and  name HE*  )(resid    6 and  name HA   ) 5.0 3.2 2.5
assign (resid    5 and  name HE*  )(resid    6 and  name HB#  ) 6.0 4.2 3.5
assign (resid    5 and  name HE*  )(resid    6 and  name HD#  ) 6.0 4.2 3.5
assign (resid    5 and  name HE*  )(resid    6 and  name HE#  ) 6.0 4.2 3.5
assign (resid    5 and  name HN   )(resid    7 and  name HN   ) 5.0 3.2 0.5
assign (resid    5 and  name HA   )(resid    7 and  name HN   ) 5.0 3.2 0.5
assign (resid    5 and  name HB#  )(resid    7 and  name HN   ) 5.0 3.2 1.5
assign (resid    5 and  name HA   )(resid    8 and  name HN   ) 2.8 1.0 0.3
assign (resid    5 and  name HA   )(resid    8 and  name HB#  ) 2.8 1.0 1.3
assign (resid    5 and  name HB#  )(resid    8 and  name HB#  ) 3.9 2.1 2.4
assign (resid    5 and  name HD*  )(resid    8 and  name HB#  ) 5.0 3.2 3.5
assign (resid    5 and  name HE*  )(resid    8 and  name HB#  ) 6.0 4.2 3.5
assign (resid    5 and  name HA   )(resid    9 and  name HN   ) 5.0 3.2 0.5                                                                      
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.8 1.0 0.3
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 3.9 2.1 0.4
assign (resid    6 and  name HB#  )(resid    7 and  name HN   ) 3.9 2.1 1.4
assign (resid    6 and  name HN   )(resid    8 and  name HN   ) 5.0 3.2 0.5                                                                           
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.8 1.0 0.3
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 3.9 2.1 0.4
assign (resid    7 and  name HB#  )(resid    8 and  name HN   ) 2.8 1.0 1.3
assign (resid    7 and  name HG1  )(resid    8 and  name HN   ) 5.0 3.2 0.5
assign (resid    7 and  name HD#  )(resid    8 and  name HN   ) 5.0 3.2 1.5
assign (resid    7 and  name HN   )(resid    9 and  name HN   ) 5.0 3.2 0.5
assign (resid    7 and  name HB#  )(resid    9 and  name HN   ) 5.0 3.2 1.5
assign (resid    7 and  name HA   )(resid   10 and  name HB#  ) 3.9 2.1 1.4
assign (resid    7 and  name HA   )(resid   11 and  name HN   ) 5.0 3.2 0.5                                                                         
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.8 1.0 0.3
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.9 2.1 0.4
assign (resid    8 and  name HB#  )(resid    9 and  name HN   ) 2.8 1.0 1.3
assign (resid    8 and  name HN   )(resid   10 and  name HN   ) 5.0 3.2 0.5
assign (resid    8 and  name HA   )(resid   11 and  name HN   ) 3.9 2.1 0.4
assign (resid    8 and  name HA   )(resid   11 and  name HB#  ) 3.9 2.1 1.4
assign (resid    8 and  name HB#  )(resid   12 and  name HD*  ) 3.9 2.1 3.8                                                                          
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.8 1.0 0.3
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 3.9 2.1 0.4
assign (resid    9 and  name HB#  )(resid   10 and  name HN   ) 2.8 1.0 1.3
assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 5.0 3.2 0.5
assign (resid    9 and  name HN   )(resid   12 and  name HD*  ) 6.0 4.2 2.9
assign (resid    9 and  name HA   )(resid   12 and  name HN   ) 3.9 2.1 0.4
assign (resid    9 and  name HA   )(resid   12 and  name HB1  ) 3.9 2.1 0.4
assign (resid    9 and  name HA   )(resid   12 and  name HB2  ) 3.9 2.1 0.4
assign (resid    9 and  name HA   )(resid   12 and  name HD*  ) 3.9 2.1 2.8                                                                        
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.8 1.0 0.3
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 2.8 1.0 0.3
assign (resid   10 and  name HB#  )(resid   11 and  name HN   ) 3.9 2.1 1.4
assign (resid   10 and  name HN   )(resid   12 and  name HN   ) 5.0 3.2 0.5
assign (resid   10 and  name HN   )(resid   12 and  name HD*  ) 6.0 4.2 2.9
assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 3.9 2.1 0.4
assign (resid   10 and  name HA   )(resid   13 and  name HB#  ) 2.8 1.0 1.3
assign (resid   10 and  name HA   )(resid   14 and  name HN   ) 3.9 2.1 0.4                                                                      
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.8 1.0 0.3
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 3.9 2.1 0.4
assign (resid   11 and  name HB#  )(resid   12 and  name HN   ) 3.9 2.1 1.4
assign (resid   11 and  name HB#  )(resid   12 and  name HD*  ) 5.0 3.2 3.9
assign (resid   11 and  name HG#  )(resid   12 and  name HN   ) 3.9 2.1 1.4
assign (resid   11 and  name HN   )(resid   13 and  name HN   ) 5.0 3.2 0.5
assign (resid   11 and  name HA   )(resid   14 and  name HN   ) 3.9 2.1 0.4
assign (resid   11 and  name HA   )(resid   14 and  name HB#  ) 3.9 2.1 1.4
assign (resid   11 and  name HA   )(resid   14 and  name HG1  ) 5.0 3.2 0.5
assign (resid   11 and  name HA   )(resid   14 and  name HG2  ) 5.0 3.2 0.5
assign (resid   11 and  name HA   )(resid   15 and  name HN   ) 3.9 2.1 0.4                                                                      
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.8 1.0 0.3
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 3.9 2.1 0.4
assign (resid   12 and  name HB1  )(resid   13 and  name HN   ) 3.9 2.1 0.4
assign (resid   12 and  name HB2  )(resid   13 and  name HN   ) 3.9 2.1 0.4
assign (resid   12 and  name HG   )(resid   13 and  name HN   ) 6.0 4.2 0.5
assign (resid   12 and  name HD*  )(resid   13 and  name HN   ) 5.0 3.2 2.9
assign (resid   12 and  name HD*  )(resid   13 and  name HA   ) 5.0 3.2 2.9
assign (resid   12 and  name HD*  )(resid   13 and  name HB#  ) 6.0 4.2 3.9
assign (resid   12 and  name HN   )(resid   14 and  name HN   ) 5.0 3.2 0.5
assign (resid   12 and  name HA   )(resid   14 and  name HN   ) 5.0 3.2 0.5
assign (resid   12 and  name HA   )(resid   15 and  name HN   ) 5.0 3.2 0.5                                                                       
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.8 1.0 0.3
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 3.9 2.1 0.4
assign (resid   13 and  name HB#  )(resid   14 and  name HN   ) 2.8 1.0 1.3
assign (resid   13 and  name HB#  )(resid   14 and  name HA   ) 5.0 3.2 1.5
assign (resid   13 and  name HB#  )(resid   14 and  name HB#  ) 5.0 3.2 2.5
assign (resid   13 and  name HB#  )(resid   14 and  name HG1  ) 6.0 4.2 1.5
assign (resid   13 and  name HB#  )(resid   14 and  name HG2  ) 5.0 3.2 1.5
assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 3.9 2.1 0.4                                                                       
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.8 1.0 0.3
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 3.9 2.1 0.4
assign (resid   14 and  name HB#  )(resid   15 and  name HN   ) 3.9 2.1 1.4	          F	          J en Hz 
assign (resid	3  and  name  C   )(resid   4  and  name  N   )
       (resid   4  and  name  CA  )(resid   4  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid   4  and  name  C   )(resid   5  and  name  N   )
       (resid   5  and  name  CA  )(resid   5  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid   5  and  name  C   )(resid   6  and  name  N   )
       (resid   6  and  name  CA  )(resid   6  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid   6  and  name  C   )(resid   7  and  name  N   )
       (resid   7  and  name  CA  )(resid   7  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid   7  and  name  C   )(resid   8  and  name  N   )
       (resid   8  and  name  CA  )(resid   8  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid   8  and  name  C   )(resid   9  and  name  N   )
       (resid   9  and  name  CA  )(resid   9  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid   9  and  name  C   )(resid  10  and  name  N   )
       (resid  10  and  name  CA  )(resid  10  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid  10  and  name  C   )(resid  11  and  name  N   )
       (resid  11  and  name  CA  )(resid  11  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid  11  and  name  C   )(resid  12  and  name  N   )
       (resid  12  and  name  CA  )(resid  12  and  name  C   ) 1.0   -60.0 30.0 2
assign (resid  12  and  name  C   )(resid  13  and  name  N   )
       (resid  13  and  name  CA  )(resid  13  and  name  C   ) 1.0   -60.0 30.0 2







  Entry H atom name         Submitted Coord H atom name
    1   1H    GLN   1           HT1      GLN   1 -15.270  -3.125  -3.542
    2   2H    GLN   1           HT2      GLN   1 -14.003  -3.497  -4.614
    3   3H    GLN   1           HT3      GLN   1 -14.521  -1.889  -4.431
    4    HA   GLN   1           HA       GLN   1 -13.770  -1.916  -2.097
    5   1HB   GLN   1           HB2      GLN   1 -13.580  -4.740  -2.882
    6   2HB   GLN   1           HB1      GLN   1 -12.136  -4.167  -2.046
    7   1HG   GLN   1           HG2      GLN   1 -13.471  -4.809  -0.247
    8   2HG   GLN   1           HG1      GLN   1 -13.878  -3.098  -0.381
    9   1HE2  GLN   1          HE21      GLN   1 -15.348  -6.025   0.060
   10   2HE2  GLN   1          HE22      GLN   1 -16.842  -5.714  -0.682
   11    H    ALA   2           HN       ALA   2 -11.654  -1.077  -1.718
   12    HA   ALA   2           HA       ALA   2  -9.568  -1.424  -3.795
   13   1HB   ALA   2           HB1      ALA   2  -9.484   1.003  -4.210
   14   2HB   ALA   2           HB2      ALA   2 -10.814   1.251  -3.078
   15   3HB   ALA   2           HB3      ALA   2 -11.089   0.375  -4.584
   16    HA   PRO   3           HA       PRO   3  -7.730  -1.014   0.355
   17   1HB   PRO   3           HB2      PRO   3  -5.644  -2.711  -0.135
   18   2HB   PRO   3           HB1      PRO   3  -7.258  -3.278   0.335
   19   1HG   PRO   3           HG2      PRO   3  -5.970  -3.241  -2.337
   20   2HG   PRO   3           HG1      PRO   3  -7.093  -4.416  -1.638
   21   1HD   PRO   3           HD2      PRO   3  -7.784  -2.462  -3.460
   22   2HD   PRO   3           HD1      PRO   3  -8.917  -3.278  -2.364
   23    H    ALA   4           HN       ALA   4  -7.380   1.183  -1.090
   24    HA   ALA   4           HA       ALA   4  -4.857   1.630  -2.376
   25   1HB   ALA   4           HB1      ALA   4  -5.491   3.974  -2.150
   26   2HB   ALA   4           HB2      ALA   4  -6.616   3.579  -0.851
   27   3HB   ALA   4           HB3      ALA   4  -6.942   3.033  -2.496
   28    H    TYR   5           HN       TYR   5  -5.913   2.139   1.006
   29    HA   TYR   5           HA       TYR   5  -3.470   3.281   1.971
   30   1HB   TYR   5           HB2      TYR   5  -4.441   2.878   4.135
   31   2HB   TYR   5           HB1      TYR   5  -5.786   3.208   3.049
   32    HD1  TYR   5           HD1      TYR   5  -4.054   0.647   5.035
   33    HD2  TYR   5           HD2      TYR   5  -7.297   1.404   2.320
   34    HE1  TYR   5           HE1      TYR   5  -5.057  -1.543   5.620
   35    HE2  TYR   5           HE2      TYR   5  -8.298  -0.787   2.905
   36    HH   TYR   5           HH       TYR   5  -7.842  -2.400   5.412
   37    H    LYS   6           HN       LYS   6  -4.473  -0.082   1.473
   38    HA   LYS   6           HA       LYS   6  -2.343  -1.348   2.942
   39   1HB   LYS   6           HB2      LYS   6  -4.617  -2.150   1.738
   40   2HB   LYS   6           HB1      LYS   6  -3.476  -2.565   0.458
   41   1HG   LYS   6           HG2      LYS   6  -2.102  -3.773   2.215
   42   2HG   LYS   6           HG1      LYS   6  -3.450  -3.532   3.328
   43   1HD   LYS   6           HD2      LYS   6  -3.811  -4.832   0.622
   44   2HD   LYS   6           HD1      LYS   6  -3.409  -5.762   2.065
   45   1HE   LYS   6           HE2      LYS   6  -5.442  -5.043   3.181
   46   2HE   LYS   6           HE1      LYS   6  -5.812  -3.909   1.866
   47   1HZ   LYS   6           HZ1      LYS   6  -5.485  -6.847   1.518
   48   2HZ   LYS   6           HZ2      LYS   6  -5.944  -5.731   0.321
   49   3HZ   LYS   6           HZ3      LYS   6  -6.982  -6.057   1.626
   50    H    LYS   7           HN       LYS   7  -2.683  -0.287  -0.449
   51    HA   LYS   7           HA       LYS   7  -0.136  -1.276  -1.376
   52   1HB   LYS   7           HB2      LYS   7  -2.280  -0.434  -2.620
   53   2HB   LYS   7           HB1      LYS   7  -1.561   1.167  -2.435
   54   1HG   LYS   7           HG2      LYS   7   0.583   0.068  -3.423
   55   2HG   LYS   7           HG1      LYS   7  -0.510  -1.204  -3.971
   56   1HD   LYS   7           HD2      LYS   7  -1.851   0.414  -5.203
   57   2HD   LYS   7           HD1      LYS   7  -0.885   1.746  -4.568
   58   1HE   LYS   7           HE2      LYS   7   0.505   1.507  -6.342
   59   2HE   LYS   7           HE1      LYS   7   0.954  -0.093  -5.719
   60   1HZ   LYS   7           HZ1      LYS   7   0.002  -0.307  -7.922
   61   2HZ   LYS   7           HZ2      LYS   7  -1.399   0.522  -7.435
   62   3HZ   LYS   7           HZ3      LYS   7  -1.039  -1.006  -6.782
   63    H    ALA   8           HN       ALA   8  -1.195   1.789   0.105
   64    HA   ALA   8           HA       ALA   8   1.254   3.257  -0.284
   65   1HB   ALA   8           HB1      ALA   8   0.231   4.804   1.221
   66   2HB   ALA   8           HB2      ALA   8  -0.695   3.532   2.016
   67   3HB   ALA   8           HB3      ALA   8  -1.114   4.035   0.378
   68    H    ALA   9           HN       ALA   9   0.073   1.147   2.339
   69    HA   ALA   9           HA       ALA   9   2.259   1.563   4.163
   70   1HB   ALA   9           HB1      ALA   9   1.384  -0.793   4.921
   71   2HB   ALA   9           HB2      ALA   9   0.148  -0.536   3.689
   72   3HB   ALA   9           HB3      ALA   9   0.300   0.593   5.036
   73    H    LYS  10           HN       LYS  10   1.729  -0.785   1.527
   74    HA   LYS  10           HA       LYS  10   4.061  -2.396   1.993
   75   1HB   LYS  10           HB2      LYS  10   1.870  -2.494   0.390
   76   2HB   LYS  10           HB1      LYS  10   3.082  -1.973  -0.782
   77   1HG   LYS  10           HG2      LYS  10   4.244  -4.041   0.814
   78   2HG   LYS  10           HG1      LYS  10   2.660  -4.599   0.274
   79   1HD   LYS  10           HD2      LYS  10   3.214  -4.253  -2.025
   80   2HD   LYS  10           HD1      LYS  10   4.661  -3.333  -1.610
   81   1HE   LYS  10           HE2      LYS  10   5.574  -5.430  -0.509
   82   2HE   LYS  10           HE1      LYS  10   4.204  -6.310  -1.215
   83   1HZ   LYS  10           HZ1      LYS  10   6.215  -6.277  -2.654
   84   2HZ   LYS  10           HZ2      LYS  10   6.061  -4.590  -2.777
   85   3HZ   LYS  10           HZ3      LYS  10   4.844  -5.606  -3.393
   86    H    LYS  11           HN       LYS  11   3.550   0.606   0.210
   87    HA   LYS  11           HA       LYS  11   6.160   0.642  -1.082
   88   1HB   LYS  11           HB2      LYS  11   3.916   1.825  -1.676
   89   2HB   LYS  11           HB1      LYS  11   4.400   3.025  -0.477
   90   1HG   LYS  11           HG2      LYS  11   6.530   3.372  -1.697
   91   2HG   LYS  11           HG1      LYS  11   6.015   2.200  -2.911
   92   1HD   LYS  11           HD2      LYS  11   3.846   3.852  -2.859
   93   2HD   LYS  11           HD1      LYS  11   5.138   4.998  -2.499
   94   1HE   LYS  11           HE2      LYS  11   6.271   4.538  -4.539
   95   2HE   LYS  11           HE1      LYS  11   5.353   3.042  -4.804
   96   1HZ   LYS  11           HZ1      LYS  11   4.557   5.061  -6.076
   97   2HZ   LYS  11           HZ2      LYS  11   4.043   5.696  -4.587
   98   3HZ   LYS  11           HZ3      LYS  11   3.378   4.245  -5.170
   99    H    LEU  12           HN       LEU  12   4.792   2.011   1.912
  100    HA   LEU  12           HA       LEU  12   7.086   3.628   2.612
  101   1HB   LEU  12           HB2      LEU  12   4.584   3.583   3.423
  102   2HB   LEU  12           HB1      LEU  12   5.176   2.398   4.589
  103    HG   LEU  12           HG       LEU  12   7.032   4.133   5.104
  104   1HD1  LEU  12          HD11      LEU  12   6.249   6.491   4.700
  105   2HD1  LEU  12          HD12      LEU  12   4.981   5.840   3.661
  106   3HD1  LEU  12          HD13      LEU  12   6.677   5.625   3.225
  107   1HD2  LEU  12          HD21      LEU  12   5.160   3.563   6.632
  108   2HD2  LEU  12          HD22      LEU  12   4.145   4.752   5.816
  109   3HD2  LEU  12          HD23      LEU  12   5.566   5.277   6.719
  110    H    ALA  13           HN       ALA  13   6.324   0.214   3.008
  111    HA   ALA  13           HA       ALA  13   8.398  -0.249   5.044
  112   1HB   ALA  13           HB1      ALA  13   6.994  -2.331   3.372
  113   2HB   ALA  13           HB2      ALA  13   6.117  -1.450   4.623
  114   3HB   ALA  13           HB3      ALA  13   7.513  -2.438   5.054
  115    H    GLU  14           HN       GLU  14   8.027  -0.649   1.530
  116    HA   GLU  14           HA       GLU  14  10.672  -1.967   1.289
  117   1HB   GLU  14           HB2      GLU  14   8.568  -1.102  -0.727
  118   2HB   GLU  14           HB1      GLU  14   9.990  -2.073  -1.108
  119   1HG   GLU  14           HG2      GLU  14   9.184  -3.743   0.624
  120   2HG   GLU  14           HG1      GLU  14   7.680  -2.828   0.699
  121    H    SER  15           HN       SER  15   9.083   0.991   0.025
  122    HA   SER  15           HA       SER  15  11.680   2.108  -0.830
  123   1HB   SER  15           HB2      SER  15   9.023   3.527  -0.851
  124   2HB   SER  15           HB1      SER  15  10.344   3.644  -2.008
  125    HG   SER  15           HG       SER  15   9.296   2.177  -3.085