*HEADER    ANTIVIRAL PROTEIN                       04-APR-01   1ID7              
*TITLE     SOLUTION STRUCTURE OF SYR6                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SYR6;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    SYR6                                                                  
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    A.SATO, K.KAWAGUCHI, K.KIMURA, R.TANIMURA, S.SONE                     
*REVDAT   1   04-APR-02 1ID7    0                                                

RDDSTC> LIST                                                                    
; HN - HN
    1   2 VAL   HN     1   3 GLN   HN   1.0 1.0    1.9000   5.0000 ;W
    1  11 ASP-  HN     1  13 ASP-  HN   1.0 1.0    1.9000   5.0000 ;W
    1  11 ASP-  HN     1   4 ALA   HN   1.0 1.0    1.9000   5.0000 ;W
    1  11 ASP-  HN     1  10 PHE   HN   1.0 1.0    1.9000   4.0000 ;M
    1  13 ASP-  HN     1  10 PHE   HN   1.0 1.0    1.9000   4.0000 ;M
    1  13 ASP-  HN     1  14 LEU   HN   1.0 1.0    1.9000   3.0000 ;S
    1   3 GLN   HN     1   4 ALA   HN   1.0 1.0    1.9000   3.0000 ;S     
    1   4 ALA   HN     1  10 PHE   HN   1.0 1.0    1.9000   4.0000 ;M
; HA - HN
    1   1 SER   HA     1   2 VAL   HN   1.0 1.0    1.9000   4.0000 ;M
    1   1 SER   HA     1   3 GLN   HN   1.0 1.0    1.9000   5.0000 ;W
; HA - HB
    1   1 SER   HA     1   2 VAL   HB   1.0 1.0    1.9000   5.0000 ;W
; HB - HN corrcted
    1   1 SER   HB*    1   2 VAL   HN   1.0 1.0    1.9000   6.0000 ;W +1
    1   1 SER   HB*    1   3 GLN   HN   1.0 1.0    1.9000   6.0000 ;W +1
    1   1 SER   HB*    1  12 LEU   HN   1.0 1.0    1.9000   7.0000 ;VW +1
    1   2 VAL   HB*    1   3 GLN   HN   1.0 1.0    1.9000   5.0000 ;M +1
    1   6 TRP   HB*    1   4 ALA   HN   1.0 1.0    1.9000   6.0000 ;W +1
    1   6 TRP   HB*    1   7 GLU-  HN   1.0 1.0    1.9000   5.0000 ;M +1
    1  10 PHE   HB*    1  11 ASP-  HN   1.0 1.0    1.9000   5.0000 ;M +1
    1  10 PHE   HB*    1  13 ASP-  HN   1.0 1.0    1.9000   6.0000 ;W +1
    1  15 TYR   HB*    1  14 LEU   HN   1.0 1.0    1.9000   6.0000 ;W +1
; H_AROMA - HN corrcted
    1   7 GLU-  HN     1   6 TRP   HE3  1.0 1.0    1.9000   4.0000 ;M
    1   7 GLU-  HN     1   6 TRP   HD1  1.0 1.0    1.9000   4.0000 ;M
    1   3 GLN   HN     1   6 TRP   HE3  1.0 1.0    1.9000   5.0000 ;W
    1   3 GLN   HN     1   6 TRP   HD1  1.0 1.0    1.9000   5.0000 ;W
    1   4 ALA   HN     1   6 TRP   HE3  1.0 1.0    1.9000   4.0000 ;M
    1   4 ALA   HN     1   6 TRP   HD1  1.0 1.0    1.9000   4.0000 ;M
    1   4 ALA   HN     1   6 TRP   HZ2  1.0 1.0    1.9000   5.0000 ;W
    1   4 ALA   HN     1   6 TRP   HH2  1.0 1.0    1.9000   6.0000 ;VW
    1   4 ALA   HN     1  10 PHE   HD*  1.0 1.0    1.9000   6.0000 ;M +2
    1  11 ASP-  HN     1  10 PHE   HD*  1.0 1.0    1.9000   6.0000 ;M +2
    1  13 ASP-  HN     1  10 PHE   HD*  1.0 1.0    1.9000   7.0000 ;W +2
    1  14 LEU   HN     1  15 TYR   HD*  1.0 1.0    1.9000   6.0000 ;M +2
; HX - H_AROMA corrcted
    1   5 ARG+  HD*    1   6 TRP   HE3  1.0 1.0    1.9000   6.0000 ;W +1
    1   5 ARG+  HD*    1   6 TRP   HD1  1.0 1.0    1.9000   6.0000 ;W +1
    1   7 GLU-  HB*    1   6 TRP   HE3  1.0 1.0    1.9000   6.0000 ;W +1
    1   7 GLU-  HB*    1   6 TRP   HD1  1.0 1.0    1.9000   6.0000 ;W +1
    1  13 ASP-  HB*    1  10 PHE   HD*  1.0 1.0    1.9000   8.0000 ;W +3
    1  12 LEU   HG     1  10 PHE   HD*  1.0 1.0    1.9000   7.0000 ;W +2
; HX - HN corrcted
    1   5 ARG+  HD*    1  14 LEU   HN   1.0 1.0    1.9000   6.0000 ;W +1
    1  12 LEU   HG     1  10 PHE   HN   1.0 1.0    1.9000   5.0000 ;W
    1  12 LEU   HG     1  11 ASP-  HN   1.0 1.0    1.9000   5.0000 ;W
    1  12 LEU   HG     1  13 ASP-  HN   1.0 1.0    1.9000   4.0000 ;M
    1  14 LEU   HG     1  13 ASP-  HN   1.0 1.0    1.9000   5.0000 ;W
    1   2 VAL   HG*    1   4 ALA   HN   1.0 1.0    1.9000   9.0000 ;W +4
    1   2 VAL   HG*    1   3 GLN   HN   1.0 1.0    1.9000   8.0000 ;M +4
    1  12 LEU   HD*    1   2 VAL   HN   1.0 1.0    1.9000   9.0000 ;W +4
    1  12 LEU   HD*    1   3 GLN   HN   1.0 1.0    1.9000   8.0000 ;M +4
    1  12 LEU   HD*    1   4 ALA   HN   1.0 1.0    1.9000   9.0000 ;W +4
    1  12 LEU   HD*    1  10 PHE   HN   1.0 1.0    1.9000   8.0000 ;M +4
; HB - HB corrected
    1  10 PHE   HB1    1  11 ASP-  HB*  1.0 1.0    1.9000   6.0000 ;W +1
    1  10 PHE   HB1    1  13 ASP-  HB*  1.0 1.0    1.9000   6.0000 ;W +1
    1  10 PHE   HB2    1  11 ASP-  HB*  1.0 1.0    1.9000   6.0000 ;W +1
    1   5 ARG+  HD*    1   3 GLN   HB*  1.0 1.0    1.9000   7.0000 ;W +2
    1  10 PHE   HB*    1  12 LEU   HG   1.0 1.0    1.9000   6.0000 ;W +1
    1   6 TRP   HB*    1   3 GLN   HB*  1.0 1.0    1.9000   7.0000 ;W +2
    1   6 TRP   HB*    1   7 GLU-  HB*  1.0 1.0    1.9000   7.0000 ;W +2
    1  15 TYR   HB*    1  14 LEU   HB*  1.0 1.0    1.9000   7.0000 ;W +2
    1  10 PHE   HB*    1  12 LEU   HG   1.0 1.0    1.9000   6.0000 ;W +1
    1  13 ASP-  HB*    1  14 LEU   HG   1.0 1.0    1.9000   6.0000 ;W +1
    1   2 VAL   HB     1  12 LEU   HG   1.0 1.0    1.9000   4.0000 ;M
    1   9 ALA   HB*    1  10 PHE   HB*  1.0 1.0    1.9000   6.0000 ;M +2
    1   4 ALA   HB*    1   6 TRP   HB*  1.0 1.0    1.9000   6.0000 ;M +2
    1   5 ARG+  HD*    1  12 LEU   HD*  1.0 1.0    1.9000   8.0000 ;M +4
    1   5 ARG+  HD*    1  14 LEU   HD*  1.0 1.0    1.9000   9.0000 ;W +4
    1   9 ALA   HB*    1  12 LEU   HD*  1.0 1.0    1.9000   8.0000 ;M +4
    1   9 ALA   HB*    1   2 VAL   HG*  1.0 1.0    1.9000   9.0000 ;W +4
END 
RDDSTC> STOP 

  Entry H atom name         Submitted Coord H atom name
    1    H    VAL   2           HN       VAL   2   4.294   2.375   0.476
    2    HA   VAL   2           HA       VAL   2   5.125   1.168   3.016
    3    HB   VAL   2           HB       VAL   2   2.432   1.786   1.745
    4   1HG1  VAL   2          1HG1      VAL   2   3.222   0.246   4.195
    5   2HG1  VAL   2          2HG1      VAL   2   1.838   1.355   4.336
    6   3HG1  VAL   2          3HG1      VAL   2   1.810   0.044   3.130
    7   1HG2  VAL   2          1HG2      VAL   2   3.098   3.845   2.485
    8   2HG2  VAL   2          2HG2      VAL   2   2.625   3.207   4.078
    9   3HG2  VAL   2          3HG2      VAL   2   4.331   3.164   3.573
   10    H    GLN   3           HN       GLN   3   2.333  -0.040   1.227
   11    HA   GLN   3           HA       GLN   3   3.848  -2.361   0.306
   12   1HB   GLN   3          1HB       GLN   3   2.589  -2.762   2.644
   13   2HB   GLN   3          2HB       GLN   3   1.195  -2.987   1.560
   14   1HG   GLN   3          1HG       GLN   3   3.871  -4.432   1.349
   15   2HG   GLN   3          2HG       GLN   3   2.363  -5.130   1.985
   16   1HE2  GLN   3          2HE2      GLN   3   0.920  -6.034   0.592
   17   2HE2  GLN   3          1HE2      GLN   3   1.122  -6.056  -1.145
   18    H    ALA   4           HN       ALA   4   0.649  -0.741   0.604
   19    HA   ALA   4           HA       ALA   4  -0.807  -0.030  -1.039
   20   1HB   ALA   4          1HB       ALA   4   1.212  -0.922  -3.131
   21   2HB   ALA   4          2HB       ALA   4  -0.134   0.225  -3.325
   22   3HB   ALA   4          3HB       ALA   4   1.283   0.674  -2.346
   23    H    ARG   5           HN       ARG   5  -2.106  -1.159  -2.862
   24    HA   ARG   5           HA       ARG   5  -3.323  -2.993  -3.459
   25   1HB   ARG   5          1HB       ARG   5  -1.863  -5.172  -3.870
   26   2HB   ARG   5          2HB       ARG   5  -1.934  -3.855  -5.056
   27   1HG   ARG   5          1HG       ARG   5   0.338  -4.136  -4.949
   28   2HG   ARG   5          2HG       ARG   5   0.161  -2.955  -3.637
   29   1HD   ARG   5          1HD       ARG   5   1.412  -4.586  -2.560
   30   2HD   ARG   5          2HD       ARG   5  -0.221  -5.165  -2.177
   31    HE   ARG   5           HE       ARG   5   0.156  -7.028  -3.493
   32   1HH1  ARG   5          2HH2      ARG   5   2.494  -4.492  -4.282
   33   2HH1  ARG   5          1HH2      ARG   5   3.455  -5.511  -5.330
   34   1HH2  ARG   5          2HH1      ARG   5   1.446  -8.382  -4.858
   35   2HH2  ARG   5          1HH1      ARG   5   2.873  -7.736  -5.636
   36    H    TRP   6           HN       TRP   6  -2.768  -2.261  -0.724
   37    HA   TRP   6           HA       TRP   6  -3.007  -4.912   0.612
   38   1HB   TRP   6          1HB       TRP   6  -1.303  -4.320   2.101
   39   2HB   TRP   6          2HB       TRP   6  -0.670  -3.857   0.516
   40    HD1  TRP   6           HD1      TRP   6  -2.592  -1.062   0.719
   41    HE1  TRP   6           HE1      TRP   6  -1.661   0.883   2.133
   42    HE3  TRP   6           HE3      TRP   6   0.800  -3.570   3.507
   43    HZ2  TRP   6           HZ2      TRP   6  -0.388   1.095   4.703
   44    HZ3  TRP   6           HZ3      TRP   6   1.821  -2.501   5.500
   45    HH2  TRP   6           HH2      TRP   6   1.218  -0.175   6.115
   46    H    GLU   7           HN       GLU   7  -2.723  -3.462   3.223
   47    HA   GLU   7           HA       GLU   7  -5.234  -3.605   4.084
   48   1HB   GLU   7          1HB       GLU   7  -2.856  -2.157   4.931
   49   2HB   GLU   7          2HB       GLU   7  -4.330  -1.267   5.385
   50   1HG   GLU   7          1HG       GLU   7  -5.122  -3.751   6.067
   51   2HG   GLU   7          2HG       GLU   7  -3.367  -3.963   6.269
   52    H    ALA   8           HN       ALA   8  -3.908  -0.856   2.256
   53    HA   ALA   8           HA       ALA   8  -6.570  -0.279   1.294
   54   1HB   ALA   8          1HB       ALA   8  -5.196   1.581   3.228
   55   2HB   ALA   8          2HB       ALA   8  -6.151   2.269   1.892
   56   3HB   ALA   8          3HB       ALA   8  -6.924   1.184   3.073
   57    H    ALA   9           HN       ALA   9  -3.791   1.944   1.614
   58    HA   ALA   9           HA       ALA   9  -2.089   1.086  -0.195
   59   1HB   ALA   9          1HB       ALA   9  -2.901   2.611  -2.292
   60   2HB   ALA   9          2HB       ALA   9  -3.266   0.875  -2.142
   61   3HB   ALA   9          3HB       ALA   9  -4.482   2.085  -1.664
   62    H    PHE  10           HN       PHE  10  -0.368   2.480  -0.370
   63    HA   PHE  10           HA       PHE  10  -0.833   5.169   0.794
   64   1HB   PHE  10          1HB       PHE  10   0.967   2.887   1.251
   65   2HB   PHE  10          2HB       PHE  10   1.818   4.444   1.183
   66    HD1  PHE  10           HD1      PHE  10   0.424   2.201   3.391
   67    HD2  PHE  10           HD2      PHE  10   0.344   6.396   2.483
   68    HE1  PHE  10           HE1      PHE  10  -0.271   2.692   5.724
   69    HE2  PHE  10           HE2      PHE  10  -0.351   6.889   4.813
   70    HZ   PHE  10           HZ       PHE  10  -0.659   5.036   6.433
   71    H    ASP  11           HN       ASP  11   2.164   3.888  -0.610
   72    HA   ASP  11           HA       ASP  11   2.293   6.382  -2.213
   73   1HB   ASP  11          1HB       ASP  11   3.919   5.752  -0.277
   74   2HB   ASP  11          2HB       ASP  11   4.623   4.612  -1.447
   75    H    LEU  12           HN       LEU  12   1.646   3.129  -2.609
   76    HA   LEU  12           HA       LEU  12   2.761   3.176  -5.375
   77   1HB   LEU  12          1HB       LEU  12   2.058   0.519  -4.379
   78   2HB   LEU  12          2HB       LEU  12   3.566   1.086  -5.133
   79    HG   LEU  12           HG       LEU  12   2.864   1.720  -2.241
   80   1HD1  LEU  12          1HD1      LEU  12   4.909  -0.343  -2.747
   81   2HD1  LEU  12          2HD1      LEU  12   3.593  -0.311  -1.548
   82   3HD1  LEU  12          3HD1      LEU  12   3.266  -0.844  -3.215
   83   1HD2  LEU  12          1HD2      LEU  12   5.100   2.205  -4.121
   84   2HD2  LEU  12          2HD2      LEU  12   4.654   3.072  -2.632
   85   3HD2  LEU  12          3HD2      LEU  12   5.602   1.567  -2.537
   86    H    ASP  13           HN       ASP  13   0.150   2.097  -3.158
   87    HA   ASP  13           HA       ASP  13  -2.060   1.564  -3.637
   88   1HB   ASP  13          1HB       ASP  13  -2.025   3.992  -3.315
   89   2HB   ASP  13          2HB       ASP  13  -1.640   4.238  -5.034