*HEADER    TRANSFERASE                             24-SEP-01   1K18              
*TITLE     MINIMIZED AVERAGE NMR STRUCTURE OF THE ZINC FINGER DOMAIN             
*TITLE    2 OF HUMAN DNA POLYMERASE-ALPHA                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA POLYMERASE ALPHA CATALYTIC SUBUNIT;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN (RESIDUES 1347-1377);                   
*COMPND   5 EC: 2.7.7.7;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN HUMANS.              
*KEYWDS    ZINC FINGER PROTEIN, DNA BINDING DOMAIN, POLYMERASE-ALPHA             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    W.W.YANG, F.EVANICS, S.BASU, R.N.BOSE                                 
*REVDAT   1   24-JUN-03 1K18    0                                                
!BIOSYM restraint 1
!
#distance
1:ILEn_1:HA         1:ILEn_1:HN*        2.395     2.608    40.000 40.000 1000.000
1:ILEn_1:HB         1:ILEn_1:HN*        2.45      2.666    40.000 40.000 1000.000
1:ILEn_1:HB         1:ILEn_1:HA         2.368     2.592    40.000 40.000 1000.000
1:ILEn_1:HG1*       1:ILEn_1:HN*        3.905     4.175    40.000 40.000 1000.000
1:ILEn_1:HG2*       1:ILEn_1:HA         3.419     3.729    40.000 40.000 1000.000
1:ILEn_1:HD*        1:ILEn_1:HA         3.735     4.074    40.000 40.000 1000.000
1:GLU_3:HA          1:GLU_3:HN          2.613     2.855    40.000 40.000 1000.000
1:GLU_3:HB*         1:GLU_3:HA          2.913     3.165    40.000 40.000 1000.000
1:GLU_4:HN          1:CYSH_2:HA         3.945     4.796    40.000 40.000 1000.000
1:GLU_4:HN          1:GLU_3:HA          3.155     3.507    40.000 40.000 1000.000
1:GLU_4:HA          1:GLU_4:HN          2.75      3.012    40.000 40.000 1000.000
1:GLU_4:HB*         1:GLU_3:HA          2.967     3.184    40.000 40.000 1000.000
1:GLU_4:HB*         1:GLU_4:HA          2.284     2.497    40.000 40.000 1000.000
1:PRO_5:HB*         1:PRO_5:HA          2.26      2.47     40.000 40.000 1000.000
1:PRO_5:HG*         1:PRO_5:HA          3.639     3.997    40.000 40.000 1000.000
1:PRO_5:HD1         1:PRO_5:HB*         3.706     4.092    40.000 40.000 1000.000
1:THR_6:HN          1:CYSH_2:HA         2.651     2.9      40.000 40.000 1000.000
1:THR_6:HN          1:GLU_4:HA          2.758     3.02     40.000 40.000 1000.000
1:THR_6:HN          1:GLU_4:HB*         3.683     4.164    40.000 40.000 1000.000
1:THR_6:HA          1:ILEn_1:HG2*       5.174     5.833    40.000 40.000 1000.000
1:THR_6:HG2*        1:CYSH_2:HA         4.814     5.534    40.000 40.000 1000.000
1:THR_6:HG2*        1:GLU_3:HN          4.733     5.979    40.000 40.000 1000.000
1:THR_6:HG2*        1:GLU_3:HA          4.039     4.544    40.000 40.000 1000.000
1:THR_6:HG2*        1:GLU_4:HA          3.657     3.959    40.000 40.000 1000.000
1:THR_6:HG2*        1:PRO_5:HA          4.437     5.18     40.000 40.000 1000.000
1:THR_6:HG2*        1:THR_6:HN          3.24      3.492    40.000 40.000 1000.000
1:THR_6:HG2*        1:THR_6:HA          3.188     3.465    40.000 40.000 1000.000
1:CYSH_7:HN         1:THR_6:HA          2.429     2.66     40.000 40.000 1000.000
1:CYSH_7:HA         1:CYSH_7:HN         2.146     2.36     40.000 40.000 1000.000
1:CYSH_7:HB1        1:CYSH_7:HA         2.51      2.752    40.000 40.000 1000.000
1:CYSH_7:HB2        1:THR_6:HA          2.336     2.56     40.000 40.000 1000.000
1:ARG_8:HN          1:PRO_5:HA          4.642     5.045    40.000 40.000 1000.000
1:ARG_8:HN          1:CYSH_7:HA         2.688     2.96     40.000 40.000 1000.000
1:ARG_8:HA          1:PRO_5:HB*         2.919     3.144    40.000 40.000 1000.000
1:ARG_8:HA          1:ARG_8:HN          2.068     2.28     40.000 40.000 1000.000
1:ARG_8:HB1         1:PRO_5:HD1         2.485     2.73     40.000 40.000 1000.000
1:ARG_8:HB1         1:PRO_5:HD2         3.691     4.12     40.000 40.000 1000.000
1:ARG_8:HB1         1:ARG_8:HN          3.41      3.731    40.000 40.000 1000.000
1:ARG_8:HB1         1:ARG_8:HA          2.514     2.75     40.000 40.000 1000.000
1:ARG_8:HB2         1:PRO_5:HB*         2.901     3.12     40.000 40.000 1000.000
1:ARG_8:HB2         1:ARG_8:HA          2.296     2.518    40.000 40.000 1000.000
1:ARG_8:HD*         1:ARG_8:HB1         2.761     2.996    40.000 40.000 1000.000
1:ARG_8:HD*         1:ARG_8:HB2         3.156     3.4      40.000 40.000 1000.000
1:ARG_8:HD*         1:ARG_8:HG2         2.521     2.739    40.000 40.000 1000.000
1:ASN_9:HN          1:CYSH_7:HA         3.469     4.062    40.000 40.000 1000.000
1:ASN_9:HN          1:ARG_8:HN          2.865     3.157    40.000 40.000 1000.000
1:ASN_9:HN          1:ARG_8:HA          2.516     2.753    40.000 40.000 1000.000
1:ASN_9:HA          1:ASN_9:HN          2.379     2.603    40.000 40.000 1000.000
1:ASN_9:HB2         1:ASN_9:HA          3.067     3.357    40.000 40.000 1000.000
1:ARG_10:HN         1:THR_6:HA          3.238     3.643    40.000 40.000 1000.000
1:ARG_10:HN         1:CYSH_7:HA         3.398     3.811    40.000 40.000 1000.000
1:ARG_10:HN         1:ASN_9:HA          2.938     3.247    40.000 40.000 1000.000
1:ARG_10:HA         1:ARG_10:HN         2.99      3.296    40.000 40.000 1000.000
1:ARG_10:HB1        1:ARG_10:HA         2.616     2.864    40.000 40.000 1000.000
1:ARG_10:HG1        1:ARG_10:HA         2.514     2.75     40.000 40.000 1000.000
1:ARG_10:HG2        1:ARG_10:HA         3.447     3.809    40.000 40.000 1000.000
1:ARG_10:HD*        1:ARG_10:HB2        3.723     4.058    40.000 40.000 1000.000
1:THR_11:HN         1:CYSH_7:HA         3.35      3.844    40.000 40.000 1000.000
1:THR_11:HN         1:ARG_10:HA         2.777     3.05     40.000 40.000 1000.000
1:THR_11:HA         1:THR_11:HN         2.687     2.964    40.000 40.000 1000.000
1:THR_11:HG2*       1:THR_11:HN         4.304     5.24     40.000 40.000 1000.000
1:THR_11:HG2*       1:THR_11:HA         3.099     3.362    40.000 40.000 1000.000
1:ARG_12:HN         1:ARG_8:HA          3.416     3.84     40.000 40.000 1000.000
1:ARG_12:HN         1:ASN_9:HA          3.336     3.768    40.000 40.000 1000.000
1:ARG_12:HA         1:ARG_12:HN         2.356     2.579    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_8:HG1         2.296     2.518    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_8:HD*         2.945     3.184    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_12:HN         3.576     3.959    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_12:HA         2.941     3.215    40.000 40.000 1000.000
1:ARG_12:HB2        1:ARG_12:HA         2.39      2.62     40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HB1        3.673     3.977    40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HB2        2.689     2.911    40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HG1        2.48      2.706    40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HG2        2.645     2.874    40.000 40.000 1000.000
1:HIS_13:HN         1:ARG_12:HA         2.557     2.808    40.000 40.000 1000.000
1:HIS_13:HA         1:HIS_13:HN         2.831     3.122    40.000 40.000 1000.000
1:LEU_14:HN         1:THR_11:HA         3.253     3.678    40.000 40.000 1000.000
1:LEU_14:HN         1:THR_11:HG2*       4.452     5.337    40.000 40.000 1000.000
1:LEU_14:HN         1:HIS_13:HA         3.614     4.169    40.000 40.000 1000.000
1:LEU_14:HA         1:THR_11:HG2*       4.855     6.537    40.000 40.000 1000.000
1:LEU_14:HA         1:LEU_14:HN         2.211     2.424    40.000 40.000 1000.000
1:LEU_14:HB*        1:LEU_14:HN         3.526     3.921    40.000 40.000 1000.000
1:LEU_14:HB*        1:LEU_14:HA         2.673     2.898    40.000 40.000 1000.000
1:LEU_14:HD1*       1:LEU_14:HA         4.351     5.108    40.000 40.000 1000.000
1:LEU_14:HD2*       1:ARG_10:HA         3.267     3.513    40.000 40.000 1000.000
1:LEU_14:HD2*       1:LEU_14:HA         3.868     4.343    40.000 40.000 1000.000
1:PRO_15:HB*        1:PRO_15:HA         2.569     2.793    40.000 40.000 1000.000
1:PRO_15:HG*        1:PRO_15:HA         3.275     3.6      40.000 40.000 1000.000
1:PRO_15:HD1        1:HIS_13:HA         2.961     3.269    40.000 40.000 1000.000
1:PRO_15:HD1        1:PRO_15:HB*        3.43      3.756    40.000 40.000 1000.000
1:LEU_16:HN         1:LEU_14:HB*        2.593     2.821    40.000 40.000 1000.000
1:LEU_16:HN         1:PRO_15:HA         2.53      2.774    40.000 40.000 1000.000
1:LEU_16:HN         1:PRO_15:HB*        2.98      3.249    40.000 40.000 1000.000
1:LEU_16:HA         1:LEU_14:HB*        3.768     4.203    40.000 40.000 1000.000
1:LEU_16:HA         1:LEU_16:HN         2.414     2.645    40.000 40.000 1000.000
1:LEU_16:HB*        1:LEU_14:HA         3.966     4.374    40.000 40.000 1000.000
1:LEU_16:HB*        1:LEU_16:HN         2.697     2.931    40.000 40.000 1000.000
1:LEU_16:HB*        1:LEU_16:HA         2.816     3.046    40.000 40.000 1000.000
1:LEU_16:HG         1:LEU_14:HN         3.631     4.312    40.000 40.000 1000.000
1:LEU_16:HD1*       1:LEU_16:HA         2.938     3.167    40.000 40.000 1000.000
1:LEU_16:HD2*       1:LEU_16:HA         3.421     3.714    40.000 40.000 1000.000
1:GLN_17:HN         1:LEU_14:HA         3.347     3.74     40.000 40.000 1000.000
1:GLN_17:HN         1:PRO_15:HA         2.868     3.151    40.000 40.000 1000.000
1:GLN_17:HN         1:LEU_16:HA         3.012     3.334    40.000 40.000 1000.000
1:GLN_17:HA         1:LEU_16:HB*        3.541     3.953    40.000 40.000 1000.000
1:GLN_17:HA         1:GLN_17:HN         2.39      2.62     40.000 40.000 1000.000
1:GLN_17:HB*        1:PRO_15:HD2        4.311     5.76     40.000 40.000 1000.000
1:GLN_17:HB*        1:GLN_17:HN         3.163     3.432    40.000 40.000 1000.000
1:PHE_18:HN         1:PRO_15:HA         3.219     3.666    40.000 40.000 1000.000
1:PHE_18:HN         1:GLN_17:HA         2.001     2.234    40.000 40.000 1000.000
1:PHE_18:HA         1:PHE_18:HN         2.565     2.864    40.000 40.000 1000.000
1:PHE_18:HE*        1:PHE_18:HB*        4.283     4.994    40.000 40.000 1000.000
1:SER_19:HN         1:GLN_17:HA         2.229     2.446    40.000 40.000 1000.000
1:SER_19:HN         1:PHE_18:HA         2.734     2.997    40.000 40.000 1000.000
1:SER_19:HA         1:SER_19:HN         2.942     3.276    40.000 40.000 1000.000
1:SER_19:HB*        1:SER_19:HN         2.885     3.117    40.000 40.000 1000.000
1:SER_19:HG         1:PRO_15:HB*        3.499     3.813    40.000 40.000 1000.000
1:ARG_20:HN         1:PHE_18:HN         2.365     2.62     40.000 40.000 1000.000
1:ARG_20:HN         1:SER_19:HA         2.975     3.244    40.000 40.000 1000.000
1:ARG_20:HN         1:SER_19:HB*        3.153     3.455    40.000 40.000 1000.000
1:ARG_20:HA         1:ARG_20:HN         2.911     3.21     40.000 40.000 1000.000
1:ARG_20:HB2        1:ARG_20:HA         2.45      2.685    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HB1        2.814     3.062    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HB2        3.125     3.398    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HG1        2.521     2.741    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HG2        2.51      2.726    40.000 40.000 1000.000
1:THR_21:HN         1:ARG_20:HA         2.334     2.56     40.000 40.000 1000.000
1:THR_21:HA         1:THR_21:HN         2.649     2.901    40.000 40.000 1000.000
1:THR_21:HG2*       1:PHE_18:HB*        4.904     5.349    40.000 40.000 1000.000
1:THR_21:HG2*       1:SER_19:HA         4.943     5.899    40.000 40.000 1000.000
1:THR_21:HG2*       1:ARG_20:HA         4.624     5.336    40.000 40.000 1000.000
1:THR_21:HG2*       1:THR_21:HN         3.071     3.294    40.000 40.000 1000.000
1:THR_21:HG2*       1:THR_21:HA         3.931     4.327    40.000 40.000 1000.000
1:GLY_22:HN         1:THR_21:HA         2.512     2.744    40.000 40.000 1000.000
1:GLY_22:HA*        1:GLY_22:HN         2.876     3.127    40.000 40.000 1000.000
1:PRO_23:HA         1:THR_21:HA         2.955     3.255    40.000 40.000 1000.000
1:PRO_23:HB*        1:ARG_20:HB2        4.061     4.475    40.000 40.000 1000.000
1:PRO_23:HB*        1:PRO_23:HA         2.533     2.751    40.000 40.000 1000.000
1:PRO_23:HG*        1:PRO_23:HA         3.115     3.36     40.000 40.000 1000.000
1:PRO_23:HD1        1:PRO_23:HB*        3.315     3.595    40.000 40.000 1000.000
1:PRO_23:HD2        1:GLY_22:HA*        4.369     5.888    40.000 40.000 1000.000
1:LEU_24:HN         1:PHE_18:HN         2.401     2.788    40.000 40.000 1000.000
1:LEU_24:HN         1:THR_21:HA         2.928     3.227    40.000 40.000 1000.000
1:LEU_24:HN         1:GLY_22:HA*        3.43      3.709    40.000 40.000 1000.000
1:LEU_24:HN         1:PRO_23:HA         2.624     2.878    40.000 40.000 1000.000
1:LEU_24:HB*        1:LEU_24:HN         2.508     2.719    40.000 40.000 1000.000
1:LEU_24:HB*        1:LEU_24:HA         2.707     2.946    40.000 40.000 1000.000
1:LEU_24:HD1*       1:GLY_22:HA*        3.528     3.763    40.000 40.000 1000.000
1:LEU_24:HD1*       1:LEU_24:HA         3.028     3.266    40.000 40.000 1000.000
1:LEU_24:HD2*       1:LEU_24:HB*        2.763     2.983    40.000 40.000 1000.000
1:CYSH_25:HN        1:LEU_24:HA         2.192     2.407    40.000 40.000 1000.000
1:CYSH_25:HN        1:LEU_24:HB*        4.078     4.755    40.000 40.000 1000.000
1:CYSH_25:HN        1:LEU_24:HG         3.137     3.473    40.000 40.000 1000.000
1:CYSH_25:HA        1:CYSH_25:HN        2.527     2.764    40.000 40.000 1000.000
1:CYSH_25:HB1       1:CYSH_25:HN        2.655     2.912    40.000 40.000 1000.000
1:CYSH_25:HB1       1:CYSH_25:HA        2.373     2.6      40.000 40.000 1000.000
1:PRO_26:HB*        1:PRO_26:HA         2.665     2.888    40.000 40.000 1000.000
1:PRO_26:HG*        1:PRO_26:HA         3.195     3.447    40.000 40.000 1000.000
1:PRO_26:HD2        1:PRO_23:HB*        3.685     4.102    40.000 40.000 1000.000
1:PRO_26:HD2        1:CYSH_25:HB2       3.572     4.033    40.000 40.000 1000.000
1:ALA_27:HN         1:GLY_22:HA*        2.909     3.156    40.000 40.000 1000.000
1:ALA_27:HN         1:LEU_24:HA         4.204     4.519    40.000 40.000 1000.000
1:ALA_27:HN         1:CYSH_25:HA        3.301     3.706    40.000 40.000 1000.000
1:ALA_27:HN         1:PRO_26:HA         3.385     3.864    40.000 40.000 1000.000
1:ALA_27:HB*        1:GLY_22:HA*        4.108     4.406    40.000 40.000 1000.000
1:ALA_27:HB*        1:LEU_24:HD1*       4.903     5.54     40.000 40.000 1000.000
1:ALA_27:HB*        1:ALA_27:HN         3.39      3.719    40.000 40.000 1000.000
1:CYSH_28:HN        1:GLY_22:HA*        3.174     3.455    40.000 40.000 1000.000
1:CYSH_28:HN        1:LEU_24:HB*        4.279     5.091    40.000 40.000 1000.000
1:CYSH_28:HN        1:LEU_24:HG         3.623     3.981    40.000 40.000 1000.000
1:CYSH_28:HN        1:CYSH_25:HA        3.018     3.305    40.000 40.000 1000.000
1:CYSH_28:HN        1:ALA_27:HA         2.496     2.732    40.000 40.000 1000.000
1:CYSH_28:HA        1:LEU_24:HD2*       4.137     4.631    40.000 40.000 1000.000
1:CYSH_28:HA        1:CYSH_25:HN        3.374     3.757    40.000 40.000 1000.000
1:CYSH_28:HB*       1:LEU_24:HA         4.456     4.959    40.000 40.000 1000.000
1:MET_29:HN         1:CYSH_28:HA        3.399     3.911    40.000 40.000 1000.000
1:MET_29:HA         1:MET_29:HN         2.904     3.191    40.000 40.000 1000.000
1:MET_29:HG*        1:ILEn_1:HG2*       4.422     4.75     40.000 40.000 1000.000
1:MET_29:HE*        1:CYSH_7:HA         2.962     3.212    40.000 40.000 1000.000
1:MET_29:HE*        1:THR_11:HA         3.318     3.588    40.000 40.000 1000.000
1:MET_29:HE*        1:LEU_24:HB*        4.369     4.684    40.000 40.000 1000.000
1:MET_29:HE*        1:MET_29:HA         3.321     3.63     40.000 40.000 1000.000
1:MET_29:HE*        1:MET_29:HG*        3.449     3.707    40.000 40.000 1000.000
1:LYS_30:HN         1:MET_29:HA         2.496     2.739    40.000 40.000 1000.000
1:LYS_30:HA         1:LYS_30:HN         2.659     2.928    40.000 40.000 1000.000
1:LYS_30:HB1        1:LYS_30:HA         2.863     3.143    40.000 40.000 1000.000
1:LYS_30:HE*        1:LYS_30:HD*        2.554     2.767    40.000 40.000 1000.000
1:ALA_31:HB*        1:LYS_30:HA         4.496     5.868    40.000 40.000 1000.000
1:CYSH_2:SG        1:CYSH_7:SG         3.820  3.840 40.00 40.00 1000.000
1:CYSH_2:SG        1:CYSH_25:SG        3.820  3.840 40.00 40.00 1000.000
1:CYSH_2:SG        1:CYSH_28:SG        3.820  3.840 40.00 40.00 1000.000
1:CYSH_7:SG        1:CYSH_25:SG        3.820  3.840 40.00 40.00 1000.000
1:CYSH_7:SG        1:CYSH_28:SG        3.820  3.840 40.00 40.00 1000.000
1:CYSH_25:SG       1:CYSH_28:SG        3.820  3.840 40.00 40.00 1000.000
1:THR_6:O          1:ARG_10:N          2.850  2.950 40.00 40.00 1000.000
1:CYSH_7:O         1:THR_11:N          2.850  2.950 40.00 40.00 1000.000
1:ARG_8:O          1:ARG_12:N          2.850  2.950 40.00 40.00 1000.000
1:ASN_9:O          1:HIS_13:N          2.850  2.950 40.00 40.00 1000.000
1:ARG_10:O         1:LEU_14:N          2.850  2.950 40.00 40.00 1000.000
!
#mixing_times
-9.990000E+02 
!
#3J_dihedral
1:LEU_16:HN        1:LEU_16:N         1:LEU_16:CA        1:LEU_16:HA         8.50  0.70 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500
1:GLN_17:HN        1:GLN_17:N         1:GLN_17:CA        1:GLN_17:HA         9.00  0.70 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.50
1:PHE_18:HN        1:PHE_18:N         1:PHE_18:CA        1:PHE_18:HA         9.00  0.70 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.50
1:SER_19:HN        1:SER_19:N         1:SER_19:CA        1:SER_19:HA        14.80  0.10 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500
1:ARG_20:HN        1:ARG_20:N         1:ARG_20:CA        1:ARG_20:HA        10.80  0.40 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500
1:LYS_30:HN        1:LYS_30:N         1:LYS_30:CA        1:LYS_30:HA         8.80  0.70 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500
1:THR_6:HN         1:THR_6:N          1:THR_6:CA         1:THR_6:HA          2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:CYSH_7:HN        1:CYSH_7:N         1:CYSH_7:CA        1:CYSH_7:HA         2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500  
1:ARG_8:HN         1:ARG_8:N          1:ARG_8:CA         1:ARG_8:HA          2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:ASN_9:HN         1:ASN_9:N          1:ASN_9:CA         1:ASN_9:HA          2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:ARG_10:HN        1:ARG_10:N         1:ARG_10:CA        1:ARG_10:HA         2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:THR_11:HN        1:THR_11:N         1:THR_11:CA        1:THR_11:HA         2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:ARG_12:HN        1:ARG_12:N         1:ARG_12:CA        1:ARG_12:HA         2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:HIS_13:HN        1:HIS_13:N         1:HIS_13:CA        1:HIS_13:HA         2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:LEU_14:HN        1:LEU_14:N         1:LEU_14:CA        1:LEU_14:HA         2.50  1.00 40.00 40.00 1000.000  -70.0  -50.0 !A=6.700, B=-1.300, C=1.500
1:THR_6:O          1:THR_6:C          1:THR_6:CA         1:THR_6:HA          2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500
1:CYSH_7:O         1:CYSH_7:C         1:CYSH_7:CA        1:CYSH_7:HA         2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500  
1:ARG_8:O          1:ARG_8:C          1:ARG_8:CA         1:ARG_8:HA          2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500
1:ASN_9:O          1:ASN_9:C          1:ASN_9:CA         1:ASN_9:HA          2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500
1:ARG_10:O         1:ARG_10:C         1:ARG_10:CA        1:ARG_10:HA         2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500
1:THR_11:O         1:THR_11:C         1:THR_11:CA        1:THR_11:HA         2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500
1:ARG_12:O         1:ARG_12:C         1:ARG_12:CA        1:ARG_12:HA         2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500
1:HIS_13:O         1:HIS_13:C         1:HIS_13:CA        1:HIS_13:HA         2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500
1:LEU_14:O         1:LEU_14:C         1:LEU_14:CA        1:LEU_14:HA         2.50  1.00 40.00 40.00 1000.000  -55.0  -45.0 !A=6.700, B=-1.300, C=1.500

  Entry H atom name         Submitted Coord H atom name
    1   1H    ILE   1          1H        ILE   1   9.606   3.416   3.428
    2   2H    ILE   1          2H        ILE   1  10.215   3.161   4.923
    3    HA   ILE   1           HA       ILE   1   9.769   0.857   4.828
    4    HB   ILE   1           HB       ILE   1   7.603   2.686   4.439
    5   1HG1  ILE   1          1HG1      ILE   1   8.089   1.427   7.126
    6   2HG1  ILE   1          2HG1      ILE   1   9.202   2.662   6.568
    7   1HG2  ILE   1          1HG2      ILE   1   5.910   1.107   5.385
    8   2HG2  ILE   1          2HG2      ILE   1   6.538   0.522   3.852
    9   3HG2  ILE   1          3HG2      ILE   1   7.138  -0.196   5.362
   10   1HD1  ILE   1          1HD1      ILE   1   7.319   3.738   7.814
   11   2HD1  ILE   1          2HD1      ILE   1   7.347   4.275   6.113
   12   3HD1  ILE   1          3HD1      ILE   1   6.142   3.080   6.634
   13    H    CYS   2           H        CYS   2   8.016   2.171   2.067
   14    HA   CYS   2           HA       CYS   2   7.374  -0.437   1.040
   15   1HB   CYS   2          2HB       CYS   2   6.964   2.418   0.029
   16   2HB   CYS   2          1HB       CYS   2   6.490   1.059  -0.959
   17    HG   CYS   2           HG       CYS   2   5.546   1.710   2.144
   18    H    GLU   3           H        GLU   3   9.644  -1.280   0.878
   19    HA   GLU   3           HA       GLU   3  10.445  -1.440  -2.081
   20   1HB   GLU   3          1HB       GLU   3  11.378  -3.066   0.371
   21   2HB   GLU   3          2HB       GLU   3  11.909  -3.369  -1.274
   22   1HG   GLU   3          2HG       GLU   3  12.879  -1.002  -1.413
   23   2HG   GLU   3          1HG       GLU   3  12.390  -0.722   0.253
   24    HE2  GLU   3           HE2      GLU   3  15.585  -2.931  -0.575
   25    H    GLU   4           H        GLU   4   9.306  -2.716  -3.426
   26    HA   GLU   4           HA       GLU   4   6.750  -3.392  -2.521
   27   1HB   GLU   4          1HB       GLU   4   6.189  -3.740  -4.879
   28   2HB   GLU   4          2HB       GLU   4   7.325  -2.425  -4.732
   29   1HG   GLU   4          1HG       GLU   4   9.210  -4.032  -5.508
   30   2HG   GLU   4          2HG       GLU   4   8.015  -5.314  -5.663
   31    HE2  GLU   4           HE2      GLU   4   6.827  -4.202  -8.656
   32    HA   PRO   5           HA       PRO   5   5.979  -7.679  -1.861
   33   1HB   PRO   5          1HB       PRO   5   7.711  -8.729   0.101
   34   2HB   PRO   5          2HB       PRO   5   7.788  -9.148  -1.618
   35   1HG   PRO   5          1HG       PRO   5   9.440  -7.010  -0.149
   36   2HG   PRO   5          2HG       PRO   5  10.048  -8.301  -1.209
   37   1HD   PRO   5          1HD       PRO   5   9.683  -5.761  -2.157
   38   2HD   PRO   5          2HD       PRO   5   9.291  -7.146  -3.205
   39    H    THR   6           H        THR   6   7.244  -4.948  -0.323
   40    HA   THR   6           HA       THR   6   5.450  -5.011   2.126
   41    HB   THR   6           HB       THR   6   7.157  -2.694   1.055
   42    HG1  THR   6           HG1      THR   6   8.326  -4.512   1.773
   43   1HG2  THR   6          1HG2      THR   6   5.341  -1.858   2.621
   44   2HG2  THR   6          2HG2      THR   6   5.822  -3.083   3.825
   45   3HG2  THR   6          3HG2      THR   6   6.947  -1.786   3.383
   46    H    CYS   7           H        CYS   7   5.153  -2.252  -0.410
   47    HA   CYS   7           HA       CYS   7   2.790  -2.364  -0.859
   48   1HB   CYS   7          2HB       CYS   7   4.405  -2.604  -3.508
   49   2HB   CYS   7          1HB       CYS   7   3.345  -1.281  -3.063
   50    HG   CYS   7           HG       CYS   7   5.770  -0.372  -3.402
   51    H    ARG   8           H        ARG   8   3.809  -4.973  -1.568
   52    HA   ARG   8           HA       ARG   8   1.198  -6.011  -2.763
   53   1HB   ARG   8          1HB       ARG   8   3.006  -7.267  -3.490
   54   2HB   ARG   8          2HB       ARG   8   3.588  -7.675  -1.863
   55   1HG   ARG   8          1HG       ARG   8   1.474  -9.065  -1.501
   56   2HG   ARG   8          2HG       ARG   8   0.892  -8.610  -3.100
   57   1HD   ARG   8          1HD       ARG   8   2.990  -9.722  -4.114
   58   2HD   ARG   8          2HD       ARG   8   3.463 -10.191  -2.483
   59   1HH1  ARG   8          1HH1      ARG   8   1.323 -10.019  -5.281
   60   2HH1  ARG   8          2HH1      ARG   8   0.127 -11.260  -5.944
   61   1HH2  ARG   8          1HH2      ARG   8   0.448 -13.079  -3.104
   62   2HH2  ARG   8          2HH2      ARG   8  -0.356 -12.926  -4.763
   63    H    ASN   9           H        ASN   9   2.822  -6.457   0.408
   64    HA   ASN   9           HA       ASN   9   0.386  -6.758   2.015
   65   1HB   ASN   9          2HB       ASN   9   3.117  -5.604   2.834
   66   2HB   ASN   9          1HB       ASN   9   1.757  -5.809   3.908
   67   1HD2  ASN   9          2HD2      ASN   9   4.151  -7.646   2.097
   68   2HD2  ASN   9          1HD2      ASN   9   3.749  -9.172   3.041
   69    H    ARG  10           H        ARG  10   1.812  -3.617   0.884
   70    HA   ARG  10           HA       ARG  10  -0.837  -2.351   1.693
   71   1HB   ARG  10          2HB       ARG  10   1.570  -0.604   0.735
   72   2HB   ARG  10          1HB       ARG  10   0.113  -0.244   1.676
   73   1HG   ARG  10          1HG       ARG  10   1.124  -1.421   3.689
   74   2HG   ARG  10          2HG       ARG  10   2.601  -1.672   2.773
   75   1HD   ARG  10          1HD       ARG  10   2.814   0.852   2.441
   76   2HD   ARG  10          2HD       ARG  10   1.346   1.119   3.366
   77   1HH1  ARG  10          1HH1      ARG  10   0.679   0.396   5.251
   78   2HH1  ARG  10          2HH1      ARG  10   1.079   0.348   7.050
   79   1HH2  ARG  10          1HH2      ARG  10   4.388   0.273   6.347
   80   2HH2  ARG  10          2HH2      ARG  10   3.074   0.291   7.645
   81    H    THR  11           H        THR  11  -0.605  -3.722  -0.657
   82    HA   THR  11           HA       THR  11  -2.452  -1.960  -1.903
   83    HB   THR  11           HB       THR  11  -1.007  -4.504  -2.696
   84    HG1  THR  11           HG1      THR  11   0.069  -2.757  -3.422
   85   1HG2  THR  11          1HG2      THR  11  -2.292  -4.497  -5.026
   86   2HG2  THR  11          2HG2      THR  11  -3.432  -4.803  -3.690
   87   3HG2  THR  11          3HG2      THR  11  -3.313  -3.184  -4.414
   88    H    ARG  12           H        ARG  12  -1.810  -5.229  -0.663
   89    HA   ARG  12           HA       ARG  12  -4.309  -5.861   0.417
   90   1HB   ARG  12          2HB       ARG  12  -2.513  -7.350   0.388
   91   2HB   ARG  12          1HB       ARG  12  -1.611  -6.068   1.144
   92   1HG   ARG  12          1HG       ARG  12  -3.950  -7.499   2.619
   93   2HG   ARG  12          2HG       ARG  12  -2.458  -8.398   2.462
   94   1HD   ARG  12          1HD       ARG  12  -1.253  -6.864   3.873
   95   2HD   ARG  12          2HD       ARG  12  -2.539  -5.665   3.870
   96   1HH1  ARG  12          1HH1      ARG  12  -4.572  -5.665   4.332
   97   2HH1  ARG  12          2HH1      ARG  12  -5.769  -6.006   5.682
   98   1HH2  ARG  12          1HH2      ARG  12  -3.785  -8.499   6.849
   99   2HH2  ARG  12          2HH2      ARG  12  -5.362  -7.546   7.042
  100    H    HIS  13           H        HIS  13  -2.167  -3.784   2.349
  101    HA   HIS  13           HA       HIS  13  -4.600  -2.452   3.296
  102   1HB   HIS  13          1HB       HIS  13  -1.749  -1.197   3.388
  103   2HB   HIS  13          2HB       HIS  13  -3.121  -0.639   4.314
  104    HD2  HIS  13           HD2      HIS  13  -0.212  -3.007   4.644
  105    HE1  HIS  13           HE1      HIS  13  -2.942  -4.443   7.423
  106    HE2  HIS  13           HE2      HIS  13  -0.565  -4.780   6.585
  107    H    LEU  14           H        LEU  14  -3.629  -2.067   0.646
  108    HA   LEU  14           HA       LEU  14  -5.471   0.012   0.142
  109   1HB   LEU  14          1HB       LEU  14  -3.927  -0.207  -1.613
  110   2HB   LEU  14          2HB       LEU  14  -4.576  -1.744  -2.040
  111    HG   LEU  14           HG       LEU  14  -6.805  -0.755  -2.454
  112   1HD1  LEU  14          1HD1      LEU  14  -5.294   1.914  -2.447
  113   2HD1  LEU  14          2HD1      LEU  14  -6.899   1.643  -3.182
  114   3HD1  LEU  14          3HD1      LEU  14  -6.671   1.430  -1.440
  115   1HD2  LEU  14          1HD2      LEU  14  -4.441  -0.012  -4.332
  116   2HD2  LEU  14          2HD2      LEU  14  -5.286  -1.567  -4.281
  117   3HD2  LEU  14          3HD2      LEU  14  -6.144  -0.126  -4.850
  118    HA   PRO  15           HA       PRO  15  -9.131  -2.555   0.829
  119   1HB   PRO  15          1HB       PRO  15  -7.346  -5.035   1.021
  120   2HB   PRO  15          2HB       PRO  15  -9.150  -5.020   1.226
  121   1HG   PRO  15          1HG       PRO  15  -8.341  -5.501  -1.335
  122   2HG   PRO  15          2HG       PRO  15  -9.471  -4.128  -1.130
  123   1HD   PRO  15          1HD       PRO  15  -6.511  -4.168  -1.383
  124   2HD   PRO  15          2HD       PRO  15  -7.567  -2.891  -2.054
  125    H    LEU  16           H        LEU  16  -6.768  -1.923   2.249
  126    HA   LEU  16           HA       LEU  16  -8.575  -1.541   4.496
  127   1HB   LEU  16          1HB       LEU  16  -5.975  -1.998   5.041
  128   2HB   LEU  16          2HB       LEU  16  -5.853  -0.276   4.788
  129    HG   LEU  16           HG       LEU  16  -7.843  -1.667   6.661
  130   1HD1  LEU  16          1HD2      LEU  16  -5.086  -0.456   7.394
  131   2HD1  LEU  16          2HD2      LEU  16  -6.280  -1.045   8.581
  132   3HD1  LEU  16          3HD2      LEU  16  -5.537  -2.174   7.436
  133   1HD2  LEU  16          1HD1      LEU  16  -8.009   0.601   7.851
  134   2HD2  LEU  16          2HD1      LEU  16  -6.936   1.304   6.613
  135   3HD2  LEU  16          3HD1      LEU  16  -8.549   0.700   6.168
  136    H    GLN  17           H        GLN  17  -9.868  -0.669   2.790
  137    HA   GLN  17           HA       GLN  17  -8.977   1.934   1.545
  138   1HB   GLN  17          1HB       GLN  17 -10.889   1.789   0.097
  139   2HB   GLN  17          2HB       GLN  17  -9.929   0.342   0.047
  140   1HG   GLN  17          1HG       GLN  17 -11.671  -0.860   1.510
  141   2HG   GLN  17          2HG       GLN  17 -12.648   0.595   1.539
  142   1HE2  GLN  17          2HE2      GLN  17 -13.423   1.338  -0.629
  143   2HE2  GLN  17          1HE2      GLN  17 -13.725   0.022  -1.887
  144    H    PHE  18           H        PHE  18  -9.023   2.601   3.887
  145    HA   PHE  18           HA       PHE  18 -10.566   5.138   3.714
  146   1HB   PHE  18          1HB       PHE  18  -7.724   4.288   4.612
  147   2HB   PHE  18          2HB       PHE  18  -8.078   5.970   4.368
  148    HD1  PHE  18           HD1      PHE  18  -9.663   7.213   5.735
  149    HD2  PHE  18           HD2      PHE  18  -8.364   3.221   6.617
  150    HE1  PHE  18           HE1      PHE  18  -9.798   7.712   8.046
  151    HE2  PHE  18           HE2      PHE  18  -8.478   3.658   8.940
  152    HZ   PHE  18           HZ       PHE  18  -9.260   5.934   9.796
  153    H    SER  19           H        SER  19  -7.924   3.598   2.074
  154    HA   SER  19           HA       SER  19  -7.357   5.795   0.087
  155   1HB   SER  19          1HB       SER  19  -6.245   2.970   0.339
  156   2HB   SER  19          2HB       SER  19  -5.829   4.085  -0.956
  157    HG   SER  19           HG       SER  19  -5.585   4.833   1.776
  158    H    ARG  20           H        ARG  20  -8.232   5.911  -1.746
  159    HA   ARG  20           HA       ARG  20  -8.288   3.349  -3.347
  160   1HB   ARG  20          2HB       ARG  20 -10.563   4.286  -3.584
  161   2HB   ARG  20          1HB       ARG  20  -9.908   5.771  -4.254
  162   1HG   ARG  20          2HG       ARG  20 -10.750   4.264  -6.037
  163   2HG   ARG  20          1HG       ARG  20  -9.027   4.525  -6.251
  164   1HD   ARG  20          1HD       ARG  20  -8.483   2.305  -5.302
  165   2HD   ARG  20          2HD       ARG  20 -10.162   2.066  -4.826
  166   1HH1  ARG  20          1HH1      ARG  20  -7.516   2.675  -7.098
  167   2HH1  ARG  20          2HH1      ARG  20  -7.267   2.070  -8.822
  168   1HH2  ARG  20          1HH2      ARG  20 -10.476   0.983  -8.898
  169   2HH2  ARG  20          2HH2      ARG  20  -8.873   1.149  -9.810
  170    H    THR  21           H        THR  21  -6.159   3.352  -3.796
  171    HA   THR  21           HA       THR  21  -3.936   4.135  -3.559
  172    HB   THR  21           HB       THR  21  -3.198   5.099  -5.673
  173    HG1  THR  21           HG1      THR  21  -5.795   6.029  -5.707
  174   1HG2  THR  21          1HG2      THR  21  -5.568   3.204  -6.227
  175   2HG2  THR  21          2HG2      THR  21  -4.155   3.488  -7.270
  176   3HG2  THR  21          3HG2      THR  21  -3.958   2.676  -5.693
  177    H    GLY  22           H        GLY  22  -5.118   5.575  -1.606
  178   1HA   GLY  22          1HA       GLY  22  -3.319   8.110  -1.636
  179   2HA   GLY  22          2HA       GLY  22  -4.900   8.065  -0.916
  180    HA   PRO  23           HA       PRO  23  -1.569   6.608  -1.696
  181   1HB   PRO  23          1HB       PRO  23   0.965   6.589  -0.566
  182   2HB   PRO  23          2HB       PRO  23  -0.005   8.032  -0.805
  183   1HG   PRO  23          1HG       PRO  23   0.797   6.841   1.766
  184   2HG   PRO  23          2HG       PRO  23  -0.086   8.353   1.470
  185   1HD   PRO  23          2HD       PRO  23  -1.173   5.597   2.077
  186   2HD   PRO  23          1HD       PRO  23  -1.881   7.187   2.484
  187    H    LEU  24           H        LEU  24  -2.847   4.380  -1.390
  188    HA   LEU  24           HA       LEU  24  -0.895   2.096  -0.952
  189   1HB   LEU  24          1HB       LEU  24  -3.919   2.003  -0.343
  190   2HB   LEU  24          2HB       LEU  24  -2.787   0.861   0.143
  191    HG   LEU  24           HG       LEU  24  -2.749   3.764   1.161
  192   1HD1  LEU  24          1HD2      LEU  24  -3.708   3.051   3.218
  193   2HD1  LEU  24          2HD2      LEU  24  -4.710   2.263   1.985
  194   3HD1  LEU  24          3HD2      LEU  24  -3.482   1.335   2.863
  195   1HD2  LEU  24          1HD1      LEU  24  -1.147   1.376   2.286
  196   2HD2  LEU  24          2HD1      LEU  24  -0.427   2.652   1.273
  197   3HD2  LEU  24          3HD1      LEU  24  -1.100   3.055   2.860
  198    H    CYS  25           H        CYS  25  -1.375  -0.076  -2.087
  199    HA   CYS  25           HA       CYS  25   0.369   1.552  -2.749
  200   1HB   CYS  25          2HB       CYS  25   0.084   0.256  -0.890
  201   2HB   CYS  25          1HB       CYS  25   0.738  -0.984  -1.963
  202    HG   CYS  25           HG       CYS  25   2.051   1.181  -0.281
  203    HA   PRO  26           HA       PRO  26   1.908   2.610  -5.016
  204   1HB   PRO  26          1HB       PRO  26   0.825   3.376  -7.519
  205   2HB   PRO  26          2HB       PRO  26   2.493   2.959  -7.086
  206   1HG   PRO  26          1HG       PRO  26   0.292   1.183  -8.139
  207   2HG   PRO  26          2HG       PRO  26   2.037   1.209  -8.603
  208   1HD   PRO  26          2HD       PRO  26   1.043  -0.763  -6.993
  209   2HD   PRO  26          1HD       PRO  26   2.644  -0.056  -6.615
  210    H    ALA  27           H        ALA  27  -0.721   3.765  -3.367
  211    HA   ALA  27           HA       ALA  27   1.329   5.090  -5.312
  212   1HB   ALA  27          1HB       ALA  27  -0.984   5.993  -5.576
  213   2HB   ALA  27          2HB       ALA  27  -1.050   6.404  -3.851
  214   3HB   ALA  27          3HB       ALA  27   0.102   7.233  -4.914
  215    H    CYS  28           H        CYS  28   2.144   3.664  -2.992
  216    HA   CYS  28           HA       CYS  28   2.650   5.051  -0.709
  217   1HB   CYS  28          1HB       CYS  28   4.386   3.416  -0.187
  218   2HB   CYS  28          2HB       CYS  28   3.118   2.718  -1.114
  219    HG   CYS  28           HG       CYS  28   6.237   3.481  -1.941
  220    H    MET  29           H        MET  29   3.220   7.199  -0.624
  221    HA   MET  29           HA       MET  29   6.011   8.070  -1.356
  222   1HB   MET  29          1HB       MET  29   3.820   9.427   0.337
  223   2HB   MET  29          2HB       MET  29   5.360  10.153  -0.053
  224   1HG   MET  29          1HG       MET  29   4.830  10.071  -2.539
  225   2HG   MET  29          2HG       MET  29   3.268   9.333  -2.173
  226   1HE   MET  29          1HE       MET  29   4.460  13.747  -1.538
  227   2HE   MET  29          2HE       MET  29   5.515  12.444  -0.917
  228   3HE   MET  29          3HE       MET  29   5.191  12.575  -2.674
  229    H    LYS  30           H        LYS  30   6.587   5.931  -0.163
  230    HA   LYS  30           HA       LYS  30   7.939   6.737   2.369
  231   1HB   LYS  30          1HB       LYS  30   6.739   3.912   2.154
  232   2HB   LYS  30          2HB       LYS  30   7.521   4.666   3.513
  233   1HG   LYS  30          1HG       LYS  30   5.379   4.780   4.282
  234   2HG   LYS  30          2HG       LYS  30   5.411   6.352   3.503
  235   1HD   LYS  30          1HD       LYS  30   4.273   5.414   1.490
  236   2HD   LYS  30          2HD       LYS  30   4.410   3.778   2.089
  237   1HE   LYS  30          1HE       LYS  30   2.673   5.991   3.383
  238   2HE   LYS  30          2HE       LYS  30   2.083   4.724   2.311
  239   1HZ   LYS  30          1HZ       LYS  30   2.955   3.054   3.995
  240   2HZ   LYS  30          2HZ       LYS  30   1.749   4.005   4.580
  241    H    ALA  31           H        ALA  31  10.044   6.676   1.764
  242    HA   ALA  31           HA       ALA  31  12.123   5.973   0.918
  243   1HB   ALA  31          1HB       ALA  31  12.735   3.547   1.162
  244   2HB   ALA  31          2HB       ALA  31  11.870   4.155   2.584
  245   3HB   ALA  31          3HB       ALA  31  11.028   3.133   1.397