*HEADER    METAL BINDING PROTEIN                   20-NOV-99   1DFT              
*TITLE     SOLUTION STRUCTURE OF THE BETA-DOMAIN OF MOUSE                        
*TITLE    2 METALLOTHIONEIN-1                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MOUSE [CD7]-METALLOTHIONEIN-1;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN (BETA);                                  
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET3D                                     
*KEYWDS    HALF TURN, CD-S CLUSTER                                               
*EXPDTA    NMR                                                                   
*AUTHOR    K.ZANGGER, G.OZ, J.D.OTVOS, I.M.ARMITAGE                              
*REVDAT   1   01-DEC-99 1DFT    0                                                

! zkmmtbetanoe.tbl
! for N-terminal domain (beta-domain) of mouse MT1
! K.Zangger 9/15/1998
! strong: 1.8 0.0 0.6, medium: 1.8 0.0 1.0, weak: 1.8 0.0 2.6
set message=off echo=off end
! NH(i)-NH(j)
assign (resid    25 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 2.6
assign (resid    20 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 1.0
assign (resid    22 and  name HN   )(resid   23 and  name HN   ) 1.8 0.0 2.6
assign (resid    27 and  name HN   )(resid   28 and  name HN   ) 1.8 0.0 2.6
assign (resid    26 and  name HN   )(resid   27 and  name HN   ) 1.8 0.0 2.6
assign (resid    22 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 2.6
assign (resid    23 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 2.6
assign (resid    16 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 2.6
assign (resid    17 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 2.6
assign (resid    19 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 2.6
assign (resid    29 and  name HN   )(resid   30 and  name HN   ) 1.8 0.0 1.0
! NH(i)-any(j)
assign (resid     1 and  name N   )(resid     2  and  name HB#  ) 1.8 0.0 3.1
assign (resid     1 and  name N   )(resid     3  and  name HG#  ) 1.8 0.0 3.1
assign (resid     2 and  name HN   )(resid    2  and  name HB#  ) 1.8 0.0 2.6
assign (resid     4 and  name HN   )(resid    4  and  name HA   ) 1.8 0.0 1.0
assign (resid     4 and  name HN   )(resid    3  and  name HA   ) 1.8 0.0 2.6
assign (resid     4 and  name HN   )(resid    3  and  name HD#  ) 1.8 0.0 2.6
assign (resid     4 and  name HN   )(resid    4  and  name HD2# ) 1.8 0.0 1.0
assign (resid     4 and  name HN   )(resid    4  and  name HB#  ) 1.8 0.0 0.6
assign (resid     6 and  name HN   )(resid    6  and  name HA   ) 1.8 0.0 1.0
assign (resid     8 and  name HN   )(resid    8  and  name HB#  ) 1.8 0.0 2.6
assign (resid     8 and  name HN   )(resid    8  and  name HA   ) 1.8 0.0 2.6
assign (resid     8 and  name HN   )(resid    6  and  name HA   ) 1.8 0.0 2.6
assign (resid     9 and  name HN   )(resid    8  and  name HA   ) 1.8 0.0 2.6
assign (resid     9 and  name HN   )(resid    9  and  name HG#  ) 1.8 0.0 3.1
assign (resid     9 and  name HN   )(resid    9  and  name HA   ) 1.8 0.0 2.6
assign (resid    12 and  name HN   )(resid   11  and  name HA#  ) 1.8 0.0 2.6
assign (resid    15 and  name HN   )(resid   16  and  name HG#  ) 1.8 0.0 3.1
assign (resid    15 and  name HN   )(resid   15  and  name HB#  ) 1.8 0.0 2.6
assign (resid    16 and  name HN   )(resid   16  and  name HG#  ) 1.8 0.0 1.5
assign (resid    17 and  name HN   )(resid   17  and  name HB#  ) 1.8 0.0 2.6
assign (resid    17 and  name HN   )(resid   16  and  name HA   ) 1.8 0.0 2.6
assign (resid    17 and  name HN   )(resid   16  and  name HG#  ) 1.8 0.0 3.1
assign (resid    17 and  name HN   )(resid   18  and  name HB#  ) 1.8 0.0 2.6
assign (resid    18 and  name HN   )(resid   18  and  name HA   ) 1.8 0.0 0.6
assign (resid    18 and  name HN   )(resid   18  and  name HB#  ) 1.8 0.0 1.0
assign (resid    18 and  name HN   )(resid   17  and  name HB#  ) 1.8 0.0 2.6
assign (resid    18 and  name HN   )(resid   16  and  name HG#  ) 1.8 0.0 3.1
assign (resid    18 and  name HN   )(resid   16  and  name HA   ) 1.8 0.0 2.6
assign (resid    19 and  name HN   )(resid   19  and  name HA   ) 1.8 0.0 2.6
assign (resid    19 and  name HN   )(resid   19  and  name HB#  ) 1.8 0.0 1.0 
assign (resid    19 and  name HN   )(resid   18  and  name HB#  ) 1.8 0.0 2.6
assign (resid    19 and  name HN   )(resid   18  and  name HA   ) 1.8 0.0 1.0
assign (resid    20 and  name HN   )(resid   20  and  name HA   ) 1.8 0.0 1.0
assign (resid    20 and  name HN   )(resid   19  and  name HA   ) 1.8 0.0 1.0
assign (resid    20 and  name HN   )(resid   19  and  name HB#  ) 1.8 0.0 2.6
assign (resid    20 and  name HN   )(resid   20  and  name HB#  ) 1.8 0.0 1.5
assign (resid    21 and  name HN   )(resid   21  and  name HA   ) 1.8 0.0 2.6
assign (resid    21 and  name HN   )(resid   21  and  name HB#  ) 1.8 0.0 0.6
assign (resid    22 and  name HN   )(resid   22  and  name HA   ) 1.8 0.0 1.0
assign (resid    22 and  name HN   )(resid   22  and  name HB#  ) 1.8 0.0 1.0
assign (resid    22 and  name HN   )(resid   22  and  name HG#  ) 1.8 0.0 2.6
assign (resid    23 and  name HN   )(resid    4  and  name HA   ) 1.8 0.0 2.6
assign (resid    23 and  name HN   )(resid    4  and  name HB#  ) 1.8 0.0 2.6
assign (resid    23 and  name HN   )(resid   23  and  name HA   ) 1.8 0.0 1.0
assign (resid    23 and  name HN   )(resid   22  and  name HA   ) 1.8 0.0 2.6
assign (resid    23 and  name HN   )(resid   23  and  name HB#  ) 1.8 0.0 2.6
assign (resid    23 and  name HN   )(resid   22  and  name HB#  ) 1.8 0.0 2.6
assign (resid    25 and  name HN   )(resid   25  and  name HA   ) 1.8 0.0 2.6
assign (resid    26 and  name HN   )(resid   26  and  name HA   ) 1.8 0.0 2.6
assign (resid    26 and  name HN   )(resid   25  and  name HA   ) 1.8 0.0 2.6
assign (resid    26 and  name HN   )(resid   26  and  name HB#  ) 1.8 0.0 1.0
assign (resid    27 and  name HN   )(resid   27  and  name HA   ) 1.8 0.0 2.6
assign (resid    27 and  name HN   )(resid   26  and  name HB#  ) 1.8 0.0 2.6
assign (resid    27 and  name HN   )(resid   27  and  name HG#  ) 1.8 0.0 1.5
assign (resid    28 and  name HN   )(resid   28  and  name HB#  ) 1.8 0.0 1.0
assign (resid    29 and  name HN   )(resid   29  and  name HA   ) 1.8 0.0 1.0
assign (resid    29 and  name HN   )(resid   27  and  name HA   ) 1.8 0.0 2.6
assign (resid    29 and  name HN   )(resid   27  and  name HB   ) 1.8 0.0 2.6
assign (resid    29 and  name HN   )(resid   26  and  name HB#  ) 1.8 0.0 2.6
assign (resid    29 and  name HN   )(resid   29  and  name HB#  ) 1.8 0.0 1.0
assign (resid    30 and  name HN   )(resid   30  and  name HA   ) 1.8 0.0 2.6
assign (resid    30 and  name HN   )(resid   29  and  name HB#  ) 1.8 0.0 2.6
! aH(i)-any(j)
assign (resid     1 and  name HA   )(resid    1  and  name HB#  ) 1.8 0.0 2.6
assign (resid     2 and  name HA   )(resid    3  and  name HD#  ) 1.8 0.0 1.0
assign (resid     2 and  name HA   )(resid    3  and  name HG#  ) 1.8 0.0 2.6
assign (resid     2 and  name HA   )(resid    2  and  name HB#  ) 1.8 0.0 2.6
assign (resid     4 and  name HA   )(resid    4  and  name HB#  ) 1.8 0.0 1.0
assign (resid     4 and  name HA   )(resid   22  and  name HB#  ) 1.8 0.0 2.6
assign (resid     5 and  name HA   )(resid   21  and  name HB#  ) 1.8 0.0 2.6
assign (resid     6 and  name HA   )(resid    6  and  name HB#  ) 1.8 0.0 1.0
assign (resid     7 and  name HA   )(resid    7  and  name HB#  ) 1.8 0.0 2.6
assign (resid     8 and  name HA   )(resid    8  and  name HB#  ) 1.8 0.0 1.0
assign (resid    12 and  name HA   )(resid   12  and  name HB#  ) 1.8 0.0 1.0
assign (resid    14 and  name HA   )(resid   15  and  name HB#  ) 1.8 0.0 2.6
assign (resid    17 and  name HA   )(resid   17  and  name HB#  ) 1.8 0.0 1.0
assign (resid    20 and  name HA   )(resid   20  and  name HB#  ) 1.8 0.0 1.5
assign (resid    21 and  name HA   )(resid   21  and  name HB#  ) 1.8 0.0 2.6
assign (resid    23 and  name HA   )(resid   23  and  name HB#  ) 1.8 0.0 2.6
assign (resid    24 and  name HA   )(resid   24  and  name HB#  ) 1.8 0.0 2.6
assign (resid    25 and  name HA   )(resid   25  and  name HB#  ) 1.8 0.0 2.6
assign (resid    25 and  name HA   )(resid   25  and  name HG#  ) 1.8 0.0 2.6
assign (resid    26 and  name HA   )(resid   26  and  name HB#  ) 1.8 0.0 2.6
assign (resid    27 and  name HA   )(resid   27  and  name HB#  ) 1.8 0.0 1.0
assign (resid    27 and  name HA   )(resid   27  and  name HG#  ) 1.8 0.0 1.5
assign (resid    29 and  name HA   )(resid   29  and  name HB#  ) 1.8 0.0 2.6
assign (resid    29 and  name HA   )(resid   23  and  name HB#  ) 1.8 0.0 2.6
! sidechain(i)-sidechain(j)
assign (resid     2 and  name HB#  )(resid    3  and  name HD#  ) 1.8 0.0 2.6
assign (resid     3 and  name HG#  )(resid    3  and  name HD#  ) 1.8 0.0 1.0
assign (resid     5 and  name HB#  )(resid   21  and  name HB#  ) 1.8 0.0 2.6
assign (resid    27 and  name HB#  )(resid   27  and  name HG#  ) 1.8 0.0 1.5
assign (resid    21 and  name HB#  )(resid   23  and  name HB#  ) 1.8 0.0 3.1
assign (resid    21 and  name HB#  )(resid   22  and  name HB#  ) 1.8 0.0 2.6
set message=on echo=on end




  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1           HT1      MET   1  14.194  -0.971   4.882
    2   2H    MET   1           HT2      MET   1  13.505  -0.228   6.246
    3   3H    MET   1           HT3      MET   1  15.168  -0.203   6.065
    4    HA   MET   1           HA       MET   1  14.220   2.045   5.480
    5   1HB   MET   1           HB2      MET   1  15.298   0.729   2.837
    6   2HB   MET   1           HB1      MET   1  15.372   2.445   3.169
    7   1HG   MET   1           HG2      MET   1  17.048   0.211   4.494
    8   2HG   MET   1           HG1      MET   1  17.605   1.330   3.288
    9   1HE   MET   1           HE1      MET   1  18.270   0.477   6.785
   10   2HE   MET   1           HE2      MET   1  16.748   1.171   7.368
   11   3HE   MET   1           HE3      MET   1  18.266   1.963   7.751
   12    H    ASP   2           HN       ASP   2  11.811  -0.395   4.545
   13    HA   ASP   2           HA       ASP   2   9.763  -0.597   3.545
   14   1HB   ASP   2           HB2      ASP   2   9.338   1.453   5.146
   15   2HB   ASP   2           HB1      ASP   2   9.601   2.531   3.778
   16    HA   PRO   3           HA       PRO   3  11.635   0.167  -1.017
   17   1HB   PRO   3           HB2      PRO   3  12.465  -2.500  -1.580
   18   2HB   PRO   3           HB1      PRO   3  13.501  -1.262  -0.850
   19   1HG   PRO   3           HG2      PRO   3  12.026  -3.549   0.493
   20   2HG   PRO   3           HG1      PRO   3  13.626  -2.872   0.866
   21   1HD   PRO   3           HD2      PRO   3  11.337  -2.348   2.333
   22   2HD   PRO   3           HD1      PRO   3  12.773  -1.303   2.276
   23    H    ASN   4           HN       ASN   4   8.960  -2.040   0.327
   24    HA   ASN   4           HA       ASN   4   7.717  -3.222  -1.992
   25   1HB   ASN   4           HB2      ASN   4   5.778  -3.847  -0.547
   26   2HB   ASN   4           HB1      ASN   4   7.268  -4.121   0.293
   27   1HD2  ASN   4          HD21      ASN   4   7.753  -2.392   2.358
   28   2HD2  ASN   4          HD22      ASN   4   6.390  -1.585   2.958
   29    H    CYS   5           HN       CYS   5   6.453   0.096  -0.365
   30    HA   CYS   5           HA       CYS   5   5.334   0.993  -3.053
   31   1HB   CYS   5           HB2      CYS   5   3.122   0.854  -2.494
   32   2HB   CYS   5           HB1      CYS   5   3.571  -0.500  -1.586
   33    HG   CYS   5           HG       CYS   5   1.683   1.273  -0.571
   34    H    SER   6           HN       SER   6   4.209   3.268  -3.244
   35    HA   SER   6           HA       SER   6   5.244   5.579  -1.543
   36   1HB   SER   6           HB2      SER   6   5.516   5.513  -4.642
   37   2HB   SER   6           HB1      SER   6   5.989   6.860  -3.592
   38    HG   SER   6           HG       SER   6   7.756   5.305  -4.264
   39    H    CYS   7           HN       CYS   7   2.586   4.701  -1.036
   40    HA   CYS   7           HA       CYS   7   0.283   5.868  -2.593
   41   1HB   CYS   7           HB2      CYS   7   0.492   4.458   0.208
   42   2HB   CYS   7           HB1      CYS   7  -0.983   5.234  -0.161
   43    HG   CYS   7           HG       CYS   7  -0.670   2.462  -0.796
   44    H    SER   8           HN       SER   8   2.398   7.616  -0.125
   45    HA   SER   8           HA       SER   8   2.618   9.999   0.175
   46   1HB   SER   8           HB2      SER   8   0.424  10.582  -1.172
   47   2HB   SER   8           HB1      SER   8  -0.433  10.535   0.373
   48    HG   SER   8           HG       SER   8   0.359  12.712  -0.250
   49    H    THR   9           HN       THR   9   0.419  10.987   2.840
   50    HA   THR   9           HA       THR   9   1.516   9.135   5.033
   51    HB   THR   9           HB       THR   9   2.222  12.226   5.294
   52    HG1  THR   9           HG1      THR   9   3.559  11.805   3.575
   53   1HG2  THR   9          HG21      THR   9   2.538  10.954   7.461
   54   2HG2  THR   9          HG22      THR   9   4.090  11.514   6.859
   55   3HG2  THR   9          HG23      THR   9   3.636   9.815   6.671
   56    H    GLY  10           HN       GLY  10  -0.658  12.225   4.565
   57   1HA   GLY  10           HA2      GLY  10  -1.801  12.944   6.911
   58   2HA   GLY  10           HA1      GLY  10  -2.679  13.018   5.415
   59    H    GLY  11           HN       GLY  11  -4.943  12.095   5.594
   60   1HA   GLY  11           HA2      GLY  11  -5.776  10.358   7.950
   61   2HA   GLY  11           HA1      GLY  11  -6.801  11.306   6.900
   62    H    SER  12           HN       SER  12  -6.774  10.436   4.263
   63    HA   SER  12           HA       SER  12  -7.088   7.321   4.160
   64   1HB   SER  12           HB2      SER  12  -9.333   8.590   4.373
   65   2HB   SER  12           HB1      SER  12  -9.021   9.423   2.842
   66    HG   SER  12           HG       SER  12 -10.371   7.509   2.550
   67    H    CYS  13           HN       CYS  13  -6.365   6.123   2.153
   68    HA   CYS  13           HA       CYS  13  -5.033   7.559  -0.234
   69   1HB   CYS  13           HB2      CYS  13  -3.342   5.772  -0.420
   70   2HB   CYS  13           HB1      CYS  13  -3.307   6.357   1.209
   71    HG   CYS  13           HG       CYS  13  -4.124   4.008   2.025
   72    H    THR  14           HN       THR  14  -7.815   5.257   0.439
   73    HA   THR  14           HA       THR  14  -9.582   4.440  -0.700
   74    HB   THR  14           HB       THR  14  -8.871   4.560  -3.703
   75    HG1  THR  14           HG1      THR  14  -7.899   6.516  -3.567
   76   1HG2  THR  14          HG21      THR  14 -11.210   5.970  -2.295
   77   2HG2  THR  14          HG22      THR  14 -11.256   4.303  -2.844
   78   3HG2  THR  14          HG23      THR  14 -11.065   5.588  -4.016
   79    H    CYS  15           HN       CYS  15  -7.186   2.861  -3.285
   80    HA   CYS  15           HA       CYS  15  -6.559   0.596  -3.772
   81   1HB   CYS  15           HB2      CYS  15  -6.218   0.648  -0.643
   82   2HB   CYS  15           HB1      CYS  15  -5.936  -0.875  -1.463
   83    HG   CYS  15           HG       CYS  15  -3.897   0.447  -2.771
   84    H    THR  16           HN       THR  16  -8.929   0.442  -4.809
   85    HA   THR  16           HA       THR  16 -11.083  -1.313  -3.399
   86    HB   THR  16           HB       THR  16 -12.744  -0.115  -5.046
   87    HG1  THR  16           HG1      THR  16 -11.964   1.289  -6.627
   88   1HG2  THR  16          HG21      THR  16 -12.656   1.012  -2.843
   89   2HG2  THR  16          HG22      THR  16 -12.603   2.304  -4.033
   90   3HG2  THR  16          HG23      THR  16 -11.130   1.822  -3.203
   91    H    SER  17           HN       SER  17 -11.635  -1.413  -7.038
   92    HA   SER  17           HA       SER  17 -11.563  -4.383  -7.190
   93   1HB   SER  17           HB2      SER  17 -11.957  -2.306  -9.501
   94   2HB   SER  17           HB1      SER  17 -12.255  -4.037  -9.654
   95    HG   SER  17           HG       SER  17 -13.775  -2.093  -8.173
   96    H    SER  18           HN       SER  18  -9.013  -1.884  -8.519
   97    HA   SER  18           HA       SER  18  -6.941  -4.033  -9.149
   98   1HB   SER  18           HB2      SER  18  -8.258  -3.387 -11.285
   99   2HB   SER  18           HB1      SER  18  -7.651  -1.728 -11.134
  100    HG   SER  18           HG       SER  18  -6.363  -3.143 -12.607
  101    H    CYS  19           HN       CYS  19  -4.710  -3.524  -8.316
  102    HA   CYS  19           HA       CYS  19  -4.015  -0.711  -7.167
  103   1HB   CYS  19           HB2      CYS  19  -4.171  -2.841  -5.508
  104   2HB   CYS  19           HB1      CYS  19  -2.730  -3.470  -6.276
  105    HG   CYS  19           HG       CYS  19  -1.505  -2.193  -4.495
  106    H    ALA  20           HN       ALA  20  -1.920   0.417  -7.914
  107    HA   ALA  20           HA       ALA  20  -0.125  -0.887 -10.065
  108   1HB   ALA  20           HB1      ALA  20  -1.019   2.076 -10.011
  109   2HB   ALA  20           HB2      ALA  20  -1.607   0.835 -11.126
  110   3HB   ALA  20           HB3      ALA  20   0.071   1.341 -11.198
  111    H    CYS  21           HN       CYS  21   0.555  -1.487  -7.378
  112    HA   CYS  21           HA       CYS  21   3.193   0.013  -6.658
  113   1HB   CYS  21           HB2      CYS  21   1.089  -1.256  -4.712
  114   2HB   CYS  21           HB1      CYS  21   2.602  -0.594  -4.238
  115    HG   CYS  21           HG       CYS  21   0.042   0.989  -4.303
  116    H    LYS  22           HN       LYS  22   3.236  -2.857  -4.565
  117    HA   LYS  22           HA       LYS  22   4.197  -5.001  -6.468
  118   1HB   LYS  22           HB2      LYS  22   6.185  -3.534  -5.380
  119   2HB   LYS  22           HB1      LYS  22   5.721  -4.221  -3.828
  120   1HG   LYS  22           HG2      LYS  22   6.194  -6.621  -5.155
  121   2HG   LYS  22           HG1      LYS  22   7.061  -5.570  -6.273
  122   1HD   LYS  22           HD2      LYS  22   8.658  -4.920  -4.320
  123   2HD   LYS  22           HD1      LYS  22   7.771  -6.021  -3.278
  124   1HE   LYS  22           HE2      LYS  22   9.933  -7.029  -3.965
  125   2HE   LYS  22           HE1      LYS  22   8.631  -8.010  -4.616
  126   1HZ   LYS  22           HZ1      LYS  22   9.063  -6.921  -6.877
  127   2HZ   LYS  22           HZ2      LYS  22  10.420  -7.725  -6.269
  128   3HZ   LYS  22           HZ3      LYS  22  10.360  -6.034  -6.189
  129    H    ASN  23           HN       ASN  23   3.503  -4.498  -2.732
  130    HA   ASN  23           HA       ASN  23   1.306  -6.625  -2.623
  131   1HB   ASN  23           HB2      ASN  23   3.786  -7.446  -1.753
  132   2HB   ASN  23           HB1      ASN  23   3.455  -6.496  -0.326
  133   1HD2  ASN  23          HD21      ASN  23   1.541  -7.528   1.299
  134   2HD2  ASN  23          HD22      ASN  23   1.154  -9.163   1.031
  135    H    CYS  24           HN       CYS  24   2.839  -3.999  -0.273
  136    HA   CYS  24           HA       CYS  24   2.108  -2.048   0.830
  137   1HB   CYS  24           HB2      CYS  24  -0.952  -2.146   0.328
  138   2HB   CYS  24           HB1      CYS  24   0.055  -0.801   0.654
  139    HG   CYS  24           HG       CYS  24  -0.959  -0.739  -1.753
  140    H    LYS  25           HN       LYS  25   1.173  -1.422   3.148
  141    HA   LYS  25           HA       LYS  25  -0.101  -3.698   4.873
  142   1HB   LYS  25           HB2      LYS  25   2.319  -2.900   5.625
  143   2HB   LYS  25           HB1      LYS  25   1.670  -1.291   5.908
  144   1HG   LYS  25           HG2      LYS  25   0.123  -2.335   7.738
  145   2HG   LYS  25           HG1      LYS  25   0.899  -3.884   7.446
  146   1HD   LYS  25           HD2      LYS  25   3.149  -2.167   8.230
  147   2HD   LYS  25           HD1      LYS  25   1.803  -1.527   9.145
  148   1HE   LYS  25           HE2      LYS  25   2.949  -3.116  10.624
  149   2HE   LYS  25           HE1      LYS  25   1.429  -3.892  10.206
  150   1HZ   LYS  25           HZ1      LYS  25   2.707  -5.275   8.489
  151   2HZ   LYS  25           HZ2      LYS  25   3.268  -5.505  10.073
  152   3HZ   LYS  25           HZ3      LYS  25   4.170  -4.539   9.012
  153    H    CYS  26           HN       CYS  26  -2.240  -2.765   3.426
  154    HA   CYS  26           HA       CYS  26  -3.656  -0.243   4.625
  155   1HB   CYS  26           HB2      CYS  26  -3.569  -1.325   1.667
  156   2HB   CYS  26           HB1      CYS  26  -4.718  -0.110   2.165
  157    HG   CYS  26           HG       CYS  26  -2.430   1.447   2.640
  158    H    THR  27           HN       THR  27  -6.209  -2.005   2.678
  159    HA   THR  27           HA       THR  27  -7.523  -3.194   5.220
  160    HB   THR  27           HB       THR  27  -9.770  -2.789   4.136
  161    HG1  THR  27           HG1      THR  27  -8.441  -1.885   1.730
  162   1HG2  THR  27          HG21      THR  27  -8.940  -0.809   5.478
  163   2HG2  THR  27          HG22      THR  27  -9.989  -0.300   4.159
  164   3HG2  THR  27          HG23      THR  27  -8.246  -0.121   4.001
  165    H    SER  28           HN       SER  28  -8.202  -4.338   1.598
  166    HA   SER  28           HA       SER  28  -7.858  -7.303   2.397
  167   1HB   SER  28           HB2      SER  28  -9.882  -6.578   0.977
  168   2HB   SER  28           HB1      SER  28  -8.814  -6.150  -0.355
  169    HG   SER  28           HG       SER  28  -8.583  -8.346  -0.780
  170    H    CYS  29           HN       CYS  29  -5.346  -4.964   1.488
  171    HA   CYS  29           HA       CYS  29  -3.531  -6.491  -0.379
  172   1HB   CYS  29           HB2      CYS  29  -3.263  -3.775   1.235
  173   2HB   CYS  29           HB1      CYS  29  -1.899  -4.417   0.392
  174    HG   CYS  29           HG       CYS  29  -4.480  -3.325  -1.104
  175    H    LYS  30           HN       LYS  30  -3.071  -5.513   3.301
  176    HA   LYS  30           HA       LYS  30  -2.717  -8.231   4.373
  177   1HB   LYS  30           HB2      LYS  30  -0.323  -7.987   3.372
  178   2HB   LYS  30           HB1      LYS  30   0.055  -6.740   4.544
  179   1HG   LYS  30           HG2      LYS  30  -0.003  -8.333   6.433
  180   2HG   LYS  30           HG1      LYS  30  -0.858  -9.554   5.517
  181   1HD   LYS  30           HD2      LYS  30   1.686  -9.472   4.148
  182   2HD   LYS  30           HD1      LYS  30   2.133  -9.112   5.806
  183   1HE   LYS  30           HE2      LYS  30   1.025 -11.335   6.573
  184   2HE   LYS  30           HE1      LYS  30   0.616 -11.693   4.885
  185   1HZ   LYS  30           HZ1      LYS  30   2.620 -12.902   5.584
  186   2HZ   LYS  30           HZ2      LYS  30   3.426 -11.487   6.049
  187   3HZ   LYS  30           HZ3      LYS  30   3.098 -11.792   4.390