*HEADER   CELLULASE                               18-NOV-97   1AZK    
*TITLE    THREE-DIMENSIONAL STRUCTURES OF THREE ENGINEERED            
*TITLE   2 CELLULOSE-BINDING DOMAINS OF CELLOBIOHYDROLASE I FROM      
*TITLE   3 TRICHODERMA REESEI, NMR, 19 STRUCTURES                     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CCELLOBIOHYDROLASE I;                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: CELLULOSE-BINDING DOMAIN;                        
*COMPND  5 SYNONYM: CBD;                                              
*COMPND  6 EC: 3.2.1.91;                                              
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 MUTATION: Y32A                                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI                    
*KEYWDS   CELLULASE, NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY,         
*KEYWDS  2 PROTEIN-CARBOHYDRATE INTERACTION, CELLULOSE DEGRADATION,   
*KEYWDS  3 HYDROLASE, GLYCOSIDASE                                     
*EXPDTA   NMR, 19 STRUCTURES                                          
*AUTHOR   M.-L.MATTINEN                                               
*REVDAT  1   29-APR-98 1AZK    0                                      
 
!BIOSYM restraint 1
!
#distance
!1 celsius
1:THR_17:HB        1:THR_17:HA         1.900  5.000 32.00 32.00 1000.000
1:TYR_31:HA        1:ALA_32:HA         1.900  5.000 32.00 32.00 1000.000
1:THR_23:HB        1:THR_23:HA         1.900  5.000 32.00 32.00 1000.000
1:CYS_19:HB1       1:CYS_19:HA         1.900  5.000 32.00 32.00 1000.000
1:CYS_19:HB2       1:CYS_19:HA         1.900  5.000 32.00 32.00 1000.000
1:CYS_19:HB1       1:THR_17:HB         1.900  5.000 32.00 32.00 1000.000
1:CYS_19:HB2       1:THR_17:HB         1.900  5.000 32.00 32.00 1000.000
1:THR_23:HG2*      1:THR_23:HA         1.900  5.000 32.00 32.00 1000.000
1:ASN_29:HB1       1:ASN_29:HA         1.900  5.000 32.00 32.00 1000.000
1:ASN_29:HB2       1:ASN_29:HA         1.900  5.000 32.00 32.00 1000.000
1:PRO_30:HD1       1:ASN_29:HA         1.900  5.000 32.00 32.00 1000.000
1:PRO_30:HD2       1:ASN_29:HA         1.900  5.000 32.00 32.00 1000.000
1:GLN_34:HN        1:GLN_26:HN         1.900  5.000 32.00 32.00 1000.000
1:GLN_7:HE21       1:GLY_9:HN          1.900  5.000 32.00 32.00 1000.000
1:GLN_7:HE21       1:SER_33:HN         1.900  5.000 32.00 32.00 1000.000
1:GLY_9:HN         1:GLN_7:HE22        1.900  5.000 32.00 32.00 1000.000
1:TYR_5:HE*        1:GLN_34:HE22       1.900  5.000 32.00 32.00 1000.000
1:ASN_29:HD21      1:ALA_32:HB*        1.900  5.000 32.00 32.00 1000.000
1:ASN_29:HD22      1:ALA_32:HB*        1.900  5.000 32.00 32.00 1000.000
1:TYR_13:HD*       1:GLN_7:HG2         1.900  5.000 32.00 32.00 1000.000
 1:HIS_4:HD2      1:TYR_5:HE*     1.900  5.000 32.00 32.00 1000.000
 1:CYS_35:HA       1:CYS_35:HB1    1.900  5.000 32.00 32.00 1000.000
 1:ALA_32:HA       1:ALA_32:HB*    1.900  5.000 32.00 32.00 1000.000
 1:THR_23:HA       1:THR_23:HB     1.900  5.000 32.00 32.00 1000.000
 1:THR_23:HA       1:THR_23:HG2*    1.900  5.000 32.00 32.00 1000.000
 1:CYS_19:HA       1:CYS_19:HB1    1.900  5.000 32.00 32.00 1000.000
 1:CYS_19:HA       1:CYS_19:HB2    1.900  5.000 32.00 32.00 1000.000
 1:CYS_35:HA       1:THR_23:HG2*    1.900  5.000 32.00 32.00 1000.000
 1:GLN_26:HA       1:ALA_32:HB*    1.900  5.500 32.00 32.00 1000.000
!
!
#NOE_distance
1:GLN_2:HN        1:GLN_2:HA           2.070     3.794     3.794     32.000     32.000  1000.000     0.000
1:HIS_4:HN       1:HIS_4:HB1         1.823     3.343     3.343     32.000     32.000  1000.000     0.000
1:HIS_4:HN       1:HIS_4:HB2         1.760     2.989     2.989     32.000     32.000  1000.000     0.000
1:HIS_4:HA       1:HIS_4:HB1         1.760     3.500     3.500     32.000     32.000  1000.000     0.000
1:HIS_4:HA       1:HIS_4:HB2         1.760     2.918     2.918     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:TYR_5:HA           1.760     2.790     2.790     32.000     32.000  1000.000     0.000
1:TYR_5:HD*       1:TYR_5:HE*          1.760     2.674     2.674     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:GLY_6:HA2          1.760     2.785     2.785     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:GLN_7:HA           1.898     3.480     3.480     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:GLN_7:HB1          1.760     2.954     2.954     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:GLN_7:HB2          1.760     2.923     2.923     32.000     32.000  1000.000     0.000
1:GLN_7:HA        1:GLN_7:HB1          1.778     3.259     3.259     32.000     32.000  1000.000     0.000
1:GLN_7:HA        1:GLN_7:HB2          2.161     3.961     3.961     32.000     32.000  1000.000     0.000
1:GLN_7:HA        1:GLN_7:HG1          1.760     2.684     2.684     32.000     32.000  1000.000     0.000
1:GLN_7:HA        1:GLN_7:HG2          2.234     4.096     4.096     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:CYS_8:HA           2.102     3.854     3.854     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:CYS_8:HB1          2.377     4.358     6.500    32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:CYS_8:HB2          2.377     4.358     4.358     32.000     32.000  1000.000     0.000
1:GLY_9:HN        1:GLY_9:HA1          1.829     3.353     3.353     32.000     32.000  1000.000     0.000
1:GLY_9:HN        1:GLY_9:HA2          2.103     3.855     3.855     32.000     32.000  1000.000     0.000
1:GLY_10:HN       1:GLY_10:HA1         1.760     3.026     3.026     32.000     32.000  1000.000     0.000
1:GLY_10:HN       1:GLY_10:HA2         1.760     2.714     2.714     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:ILE_11:HA          1.760     2.576     2.576     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:ILE_11:HB          1.760     2.901     2.901     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:ILE_11:HG11        1.760     2.742     2.742     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:ILE_11:HG12        1.760     6.500     6.500    32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:ILE_11:HG2*        3.800     6.500     6.500    32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:ILE_11:HD1*        2.700     4.949     4.949     32.000     32.000  1000.000     0.000
1:ILE_11:HA       1:ILE_11:HB          2.638     4.837     4.837     32.000     32.000  1000.000     0.000
1:ILE_11:HA       1:ILE_11:HG11        2.189     4.013     4.013     32.000     32.000  1000.000     0.000
1:ILE_11:HA       1:ILE_11:HG12        2.000     6.500     6.500     32.000     32.000  1000.000     0.000
1:ILE_11:HA       1:ILE_11:HG2*        2.000     6.500     6.500     32.000     32.000  1000.000     0.000
1:ILE_11:HA       1:ILE_11:HD1*        3.500     6.500    6.500    32.000     32.000  1000.000     0.000
1:GLY_12:HN       1:GLY_12:HA1         2.161     3.961     3.961     32.000     32.000  1000.000     0.000
1:GLY_12:HN       1:GLY_12:HA2         1.760     2.856     2.856     32.000     32.000  1000.000     0.000
1:TYR_13:HN       1:TYR_13:HA          2.029     3.719     3.719     32.000     32.000  1000.000     0.000
1:TYR_13:HN       1:TYR_13:HB1         1.760     2.765     2.765     32.000     32.000  1000.000     0.000
1:TYR_13:HN       1:TYR_13:HB2         1.760     2.949     2.949     32.000     32.000  1000.000     0.000
1:TYR_13:HB1      1:TYR_13:HA          2.000     4.000     4.000     32.000     32.000  1000.000     0.000
1:TYR_13:HB2      1:TYR_13:HA          1.760     3.045     3.045     32.000     32.000  1000.000     0.000
1:TYR_13:HD*      1:TYR_13:HE*         1.760     2.553     2.553     32.000     32.000  1000.000     0.000
1:SER_14:HN       1:SER_14:HA          1.760     2.645     2.645     32.000     32.000  1000.000     0.000
1:SER_14:HN       1:SER_14:HB1         2.900     6.500    6.500     32.000     32.000  1000.000     0.000
1:SER_14:HN       1:SER_14:HB2         3.013     5.524     5.524     32.000     32.000  1000.000     0.000
1:PRO_16:HB1      1:PRO_16:HA          1.760     2.849     2.849     32.000     32.000  1000.000     0.000
1:THR_17:HN       1:THR_17:HA          2.000     4.000     4.000     32.000     32.000  1000.000     0.000
1:VAL_18:HN       1:VAL_18:HA          1.910     3.502     3.502     32.000     32.000  1000.000     0.000
1:VAL_18:HN       1:VAL_18:HB          1.760     2.997     2.997     32.000     32.000  1000.000     0.000
1:VAL_18:HN       1:VAL_18:HG1*        1.922     4.023     3.523     32.000     32.000  1000.000     0.000
1:VAL_18:HA       1:VAL_18:HB          2.160     3.960     3.960     32.000     32.000  1000.000     0.000
1:VAL_18:HA       1:VAL_18:HG1*        1.735     3.680     3.180     32.000     32.000  1000.000     0.000
1:CYS_19:HN       1:CYS_19:HA          2.854     5.233     5.233     32.000     32.000  1000.000     0.000
1:CYS_19:HN       1:CYS_19:HB1         1.900     4.000     4.000     32.000     32.000  1000.000     0.000
1:CYS_19:HN       1:CYS_19:HB2         1.760     3.090     3.090     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:ALA_20:HA          1.760     3.062     3.062     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:ALA_20:HB*         1.760     3.252     2.752     32.000     32.000  1000.000     0.000
1:ALA_20:HA       1:ALA_20:HB*         1.729     3.670     3.170     32.000     32.000  1000.000     0.000
1:SER_21:HN       1:SER_21:HA          1.760     3.500     3.500     32.000     32.000  1000.000     0.000
1:SER_21:HN       1:SER_21:HB1         1.760     3.087     3.087     32.000     32.000  1000.000     0.000
1:SER_21:HA       1:SER_21:HB1         1.721     4.989     4.989     32.000     32.000  1000.000     0.000
1:GLY_22:HN       1:GLY_22:HA1         1.983     3.636     3.636     32.000     32.000  1000.000     0.000
1:GLY_22:HN       1:GLY_22:HA2         1.760     2.795     2.795     32.000     32.000  1000.000     0.000
1:THR_23:HN       1:THR_23:HA          1.942     3.560     3.560     32.000     32.000  1000.000     0.000
1:THR_23:HN       1:THR_23:HG2*        1.980     4.129     3.629     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:THR_24:HA          1.919     3.519     3.519     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:THR_24:HB          1.973     3.617     3.617     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:THR_24:HG2*        2.228     4.584     4.084     32.000     32.000  1000.000     0.000
1:THR_24:HB       1:THR_24:HA          1.760     4.000     4.000     32.000     32.000  1000.000     0.000
1:THR_24:HA       1:THR_24:HG2*        1.760     3.522     3.022     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:CYS_25:HA          1.974     3.619     3.619     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:CYS_25:HB1         1.760     3.089     3.089     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:CYS_25:HB2         1.760     3.037     3.037     32.000     32.000  1000.000     0.000
1:CYS_25:HA       1:CYS_25:HB1         1.760     3.063     3.063     32.000     32.000  1000.000     0.000
1:CYS_25:HA       1:CYS_25:HB2         1.760     2.621     2.621     32.000     32.000  1000.000     0.000
1:GLN_26:HN       1:GLN_26:HB1         2.000     6.000     6.000     32.000     32.000  1000.000     0.000
1:GLN_26:HN       1:GLN_26:HG1         2.496     4.576     4.576     32.000     32.000  1000.000     0.000
1:GLN_26:HN       1:GLN_26:HG2         3.000     6.500     6.500     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:VAL_27:HA          1.849     3.389     3.389     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:VAL_27:HB          1.760     2.735     2.735     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:VAL_27:HG1*        1.760     3.525     3.025     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:VAL_27:HG2*        3.000     6.500     6.500     32.000     32.000  1000.000     0.000
1:VAL_27:HA       1:VAL_27:HB          1.900     6.000     6.000     32.000     32.000  1000.000     0.000
1:VAL_27:HA       1:VAL_27:HG1*        3.000     6.500     6.500    32.000     32.000  1000.000     0.000
1:VAL_27:HA       1:VAL_27:HG2*        1.760     3.503     3.003     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:LEU_28:HA          1.941     3.558     3.558     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:LEU_28:HB1         1.760     3.110     3.110     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:LEU_28:HG          1.731     3.173     3.173     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:LEU_28:HD1*        2.483     4.952     4.552     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:LEU_28:HD2*        2.107     4.363     3.863     32.000     32.000  1000.000     0.000
1:PRO_30:HA       1:PRO_30:HB1         1.760     2.695     2.695     32.000     32.000  1000.000     0.000
1:PRO_30:HA       1:PRO_30:HB2         1.714     3.142     3.142     32.000     32.000  1000.000     0.000
1:PRO_30:HA       1:PRO_30:HG1         3.000     5.000     5.000     32.000     32.000  1000.000     0.000
1:PRO_30:HA       1:PRO_30:HG2         1.788     4.278     4.278     32.000     32.000  1000.000     0.000
1:PRO_30:HA       1:PRO_30:HD2         2.657     4.871     4.871     32.000     32.000  1000.000     0.000
1:TYR_31:HN       1:TYR_31:HA          1.760     3.500     3.500     32.000     32.000  1000.000     0.000
1:TYR_31:HN       1:TYR_31:HB1         2.800     5.000     5.000     32.000     32.000  1000.000     0.000
1:TYR_31:HN       1:TYR_31:HB2         1.760     2.945     2.945     32.000     32.000  1000.000     0.000
1:TYR_31:HA       1:TYR_31:HB1         1.760     3.663     3.663     32.000     32.000  1000.000     0.000
1:TYR_31:HA       1:TYR_31:HB2         2.000     4.912     4.912     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:TYR_31:HE*         1.760     2.849     2.849     32.000     32.000  1000.000     0.000
1:ALA_32:HN       1:ALA_32:HA          2.019     3.702     3.702     32.000     32.000  1000.000     0.000
1:ALA_32:HN       1:ALA_32:HB*         2.042     4.243     3.743     32.000     32.000  1000.000     0.000
1:SER_33:HN       1:SER_33:HA          2.540     4.658     4.658     32.000     32.000  1000.000     0.000
1:SER_33:HN       1:SER_33:HB1         2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:SER_33:HN       1:SER_33:HB2         2.159     3.959     3.959     32.000     32.000  1000.000     0.000
1:SER_33:HA       1:SER_33:HB1         1.760     3.033     3.033     32.000     32.000  1000.000     0.000
1:SER_33:HA       1:SER_33:HB2         1.800     4.000     4.000     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:GLN_34:HA          2.149     3.940     3.940     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:GLN_34:HB1         2.133     3.911     3.911     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:GLN_34:HB2         1.855     3.401     3.401     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:GLN_34:HG1         2.378     4.360     4.360     32.000     32.000  1000.000     0.000
1:CYS_35:HN       1:CYS_35:HB1         2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:LEUC_36:HA         2.043     3.746     3.746     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:LEUC_36:HB1        1.760     2.961     2.961     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:LEUC_36:HG         1.916     3.513     3.513     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:LEUC_36:HD1*       1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:LEUC_36:HD2*       3.136     6.249     5.749     32.000     32.000  1000.000     0.000
1:LEUC_36:HA      1:LEUC_36:HB1        1.760     2.978     2.978     32.000     32.000  1000.000     0.000
1:GLN_34:HE21     1:GLN_34:HE22        1.760     2.005     2.005     32.000     32.000  1000.000     0.000
1:GLN_26:HE21     1:GLN_26:HE22        1.760     2.226     2.226     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:GLN_7:HE22         1.760     2.200     2.200     32.000     32.000  1000.000     0.000
1:ASN_29:HD21     1:ASN_29:HD22        1.760     2.095     2.095     32.000     32.000  1000.000     0.000
1:GLN_2:HE21      1:GLN_2:HE22         1.760     2.351     2.351     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:HIS_4:HB2         3.000     5.000     5.000     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:HIS_4:HB1         3.000     5.000     5.000     32.000     32.000  1000.000     0.000
1:GLN_2:HG1       1:GLN_2:HB2          1.720     3.153     3.153     32.000     32.000  1000.000     0.000
1:GLN_2:HG2       1:GLN_2:HB2          1.760     2.740     2.740     32.000     32.000  1000.000     0.000
1:GLN_2:HG2       1:GLN_2:HB1          1.760     2.655     2.655     32.000     32.000  1000.000     0.000
1:GLN_2:HG1       1:GLN_2:HB1          1.760     2.883     2.883     32.000     32.000  1000.000     0.000
1:GLN_2:HG1       1:GLN_2:HG2          1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:HIS_4:HB1      1:HIS_4:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:GLN_7:HB1       1:GLN_7:HB2          1.760     1.770    1.770      32.000     32.000  1000.000     0.000
1:GLN_7:HG1       1:GLN_7:HG2          1.760     2.248     2.248     32.000     32.000  1000.000     0.000
1:GLN_7:HG1       1:GLN_7:HB2          1.896     3.475     3.475     32.000     32.000  1000.000     0.000
1:GLN_7:HG1       1:GLN_7:HB1          1.979     3.628     3.628     32.000     32.000  1000.000     0.000
1:GLY_6:HA1       1:GLY_6:HA2          1.760     2.077     2.077     32.000     32.000  1000.000     0.000
1:ILE_11:HG11     1:ILE_11:HG2*        1.858     3.907     3.407     32.000     32.000  1000.000     0.000
1:ILE_11:HG11     1:ILE_11:HG12        1.760     2.164     2.164     32.000     32.000  1000.000     0.000
1:ILE_11:HG11     1:ILE_11:HB          2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:GLY_10:HA1      1:GLY_10:HA2         1.760     2.118     2.118     32.000     32.000  1000.000     0.000
1:CYS_8:HB1       1:CYS_8:HB2          1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:GLN_7:HB2       1:GLN_7:HG2          2.023     3.708     3.708     32.000     32.000  1000.000     0.000
1:GLN_7:HB1       1:GLN_7:HG2          3.151     5.777     5.777     32.000     32.000  1000.000     0.000
1:GLY_9:HA1       1:GLY_9:HA2          1.760     2.034     2.034     32.000     32.000  1000.000     0.000
1:GLY_12:HA1      1:GLY_12:HA2         1.760     2.068     2.068     32.000     32.000  1000.000     0.000
1:ILE_11:HG2*     1:ILE_11:HD1*        1.760     3.908     2.908     32.000     32.000  1000.000     0.000
1:ILE_11:HG12     1:ILE_11:HD1*        1.760     3.061     2.561     32.000     32.000  1000.000     0.000
1:ILE_11:HB       1:ILE_11:HD1*        2.000     6.000     6.000     32.000     32.000  1000.000     0.000
1:ILE_11:HB       1:ILE_11:HG2*        1.760     2.908     2.408     32.000     32.000  1000.000     0.000
1:ILE_11:HB       1:ILE_11:HG12        1.760     2.731     2.731     32.000     32.000  1000.000     0.000
1:ILE_11:HG11     1:ILE_11:HD1*        1.760     3.357     2.857     32.000     32.000  1000.000     0.000
1:CYS_19:HB1      1:CYS_19:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:GLY_22:HA1      1:GLY_22:HA2         1.760     2.166     2.166     32.000     32.000  1000.000     0.000
1:VAL_18:HB       1:VAL_18:HG1*        1.760     3.343     2.843     32.000     32.000  1000.000     0.000
1:SER_14:HB1      1:SER_14:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:TYR_13:HB1      1:TYR_13:HB2         1.760     1.770     1.770      32.000     32.000  1000.000     0.000
1:GLY_15:HA1      1:GLY_15:HA2         1.760     1.924     1.924     32.000     32.000  1000.000     0.000
1:CYS_25:HB1      1:CYS_25:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:GLN_26:HG1      1:GLN_26:HB1         2.712     4.973     4.973     32.000     32.000  1000.000     0.000
1:GLN_26:HG1      1:GLN_26:HG2         1.760     2.289     2.289     32.000     32.000  1000.000     0.000
1:THR_23:HB       1:THR_23:HG2*        1.760     3.507     3.007     32.000     32.000  1000.000     0.000
1:GLN_26:HB1      1:GLN_26:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:VAL_27:HG1*     1:VAL_27:HG2*        1.760     3.319     2.319     32.000     32.000  1000.000     0.000
1:SER_33:HB1      1:SER_33:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:LEU_28:HG       1:LEU_28:HD1*        1.760     2.933     2.433     32.000     32.000  1000.000     0.000
1:LEU_28:HB1      1:LEU_28:HD1*        1.936     4.049     3.549     32.000     32.000  1000.000     0.000
1:LEUC_36:HB1     1:LEUC_36:HB2        1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:LEU_28:HD1*     1:LEU_28:HD2*        1.760     3.473     2.473     32.000     32.000  1000.000     0.000
1:TYR_31:HB1      1:TYR_31:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:GLN_34:HB1      1:GLN_34:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:CYS_35:HB1      1:CYS_35:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:LEUC_36:HD1*    1:LEUC_36:HD2*       1.760     3.788     2.788     32.000     32.000  1000.000     0.000
1:LEUC_36:HG      1:LEUC_36:HD1*       1.732     3.675     3.175     32.000     32.000  1000.000     0.000
1:LEUC_36:HG      1:LEUC_36:HD2*       1.760     3.609     3.109     32.000     32.000  1000.000     0.000
1:LEUC_36:HB1     1:LEUC_36:HD2*       1.760     3.156     2.656     32.000     32.000  1000.000     0.000
1:LEUC_36:HB1     1:LEUC_36:HD1*       1.760     2.973     2.473     32.000     32.000  1000.000     0.000
1:PRO_16:HB1      1:PRO_16:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:PRO_16:HD2      1:PRO_16:HG2         1.760     2.954     2.954     32.000     32.000  1000.000     0.000
1:PRO_16:HD2      1:PRO_16:HB1         3.000     6.000     6.000     32.000     32.000  1000.000     0.000
1:PRO_16:HD1      1:PRO_16:HB2         3.000     6.000     6.000     32.000     32.000  1000.000     0.000
1:PRO_16:HB1      1:PRO_16:HG2         1.770     3.245     3.245     32.000     32.000  1000.000     0.000
1:PRO_16:HD1      1:PRO_16:HG1         2.436     4.465     4.465     32.000     32.000  1000.000     0.000
1:PRO_16:HD1      1:PRO_16:HD2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:THRN_1:HB       1:THRN_1:HA          1.760     3.500     3.500     32.000     32.000  1000.000     0.000
1:THRN_1:HB       1:THRN_1:HG2*        1.760     3.585     3.085     32.000     32.000  1000.000     0.000
1:THRN_1:HA       1:THRN_1:HG2*        1.970     4.111     3.611     32.000     32.000  1000.000     0.000
1:PRO_30:HB1      1:PRO_30:HG1         1.760     2.903     2.903     32.000     32.000  1000.000     0.000
1:PRO_30:HD2      1:PRO_30:HG1         1.916     3.512     3.512     32.000     32.000  1000.000     0.000
1:PRO_30:HD2      1:PRO_30:HG2         2.036     3.733     3.733     32.000     32.000  1000.000     0.000
1:PRO_30:HD1      1:PRO_30:HG1         2.000     6.000     6.000     32.000     32.000  1000.000     0.000
1:PRO_30:HD1      1:PRO_30:HD2         1.760     2.219     2.219     32.000     32.000  1000.000     0.000
1:PRO_30:HD2      1:PRO_30:HB1         2.000     6.000     6.000     32.000     32.000  1000.000     0.000
1:PRO_30:HD2      1:PRO_30:HB2         1.944     3.563     3.563     32.000     32.000  1000.000     0.000
1:PRO_30:HB1      1:PRO_30:HG2         1.760     2.613     2.613     32.000     32.000  1000.000     0.000
1:PRO_30:HB1      1:PRO_30:HB2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:PRO_30:HG1      1:PRO_30:HG2         1.760     1.836     1.836     32.000     32.000  1000.000     0.000
1:PRO_30:HG1      1:PRO_30:HB2         1.762     3.231     3.231     32.000     32.000  1000.000     0.000
1:PRO_30:HG2      1:PRO_30:HB2         1.907     3.496     3.496     32.000     32.000  1000.000     0.000
1:PRO_30:HD1      1:PRO_30:HB2         3.000     6.000     6.000     32.000     32.000  1000.000     0.000
1:PRO_30:HD1      1:PRO_30:HG2         1.760     3.045     3.045     32.000     32.000  1000.000     0.000
1:VAL_27:HB       1:VAL_27:HG2*        1.760     3.160     2.660     32.000     32.000  1000.000     0.000
1:VAL_27:HB       1:VAL_27:HG1*        1.811     3.820     3.320     32.000     32.000  1000.000     0.000
1:LEUC_36:HB2     1:LEUC_36:HG         1.760     2.188     2.188     32.000     32.000  1000.000     0.000
1:GLN_26:HG1      1:GLN_26:HB2         1.729     3.170     3.170     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:CYS_35:HA          1.760     2.923     2.923     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:CYS_35:HB1         2.386     4.374     4.374     32.000     32.000  1000.000     0.000
1:CYS_35:HN       1:GLN_34:HB1         2.500     5.000     5.000     32.000     32.000  1000.000     0.000
1:CYS_35:HN       1:GLN_34:HG1         2.500     5.000     5.000     32.000     32.000  1000.000     0.000
1:CYS_35:HN       1:GLN_34:HA          1.760     2.997     2.997     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:SER_33:HA          1.760     2.694     2.694     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:SER_33:HB1         1.864     3.417     3.417     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:SER_33:HB2         3.302     6.054     6.054     32.000     32.000  1000.000     0.000
1:SER_33:HN       1:ALA_32:HB*         1.995     4.157     3.657     32.000     32.000  1000.000     0.000
1:SER_33:HN       1:ALA_32:HA          1.760     2.689     2.689     32.000     32.000  1000.000     0.000
1:TYR_31:HN       1:ALA_32:HB*         2.004     4.173     3.673     32.000     32.000  1000.000     0.000
1:ALA_32:HN       1:TYR_31:HA          2.150     3.941     3.941     32.000     32.000  1000.000     0.000
1:ALA_32:HN       1:TYR_31:HB1         2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:ALA_32:HN       1:TYR_31:HB2         2.422     4.441     4.441     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:SER_33:HA          2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:LEU_28:HA          2.823     5.176     5.176     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:LEU_28:HG          2.230     4.088     4.088     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:LEU_28:HD1*        3.576     6.556     6.556     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:LEU_28:HD2*        2.799     5.632     5.132     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:LEU_28:HB1         1.723     3.159     3.159     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:VAL_27:HA          1.760     2.580     2.580     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:VAL_27:HG1*        2.947     5.902     5.402     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:SER_33:HA          1.760     2.985     2.985     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:GLN_26:HA          1.760     2.396     2.396     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:GLN_26:HB1         2.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:GLN_26:HG2         2.812     5.156     5.156     32.000     32.000  1000.000     0.000
1:GLN_26:HN       1:CYS_25:HA          1.760     2.684     2.684     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:THR_24:HA          1.760     2.677     2.677     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:THR_24:HB          1.748     3.205     3.205     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:THR_24:HG2*        2.258     4.639     4.139     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:THR_23:HG2*        2.431     4.958     4.458     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:THR_23:HB          1.760     2.976     2.976     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:THR_23:HA          1.760     3.027     3.027     32.000     32.000  1000.000     0.000
1:THR_23:HN       1:GLY_22:HA1         2.078     3.809     3.809     32.000     32.000  1000.000     0.000
1:THR_23:HN       1:GLY_22:HA2         1.957     3.588     3.588     32.000     32.000  1000.000     0.000
1:THR_23:HN       1:SER_21:HA          1.968     3.607     3.607     32.000     32.000  1000.000     0.000
1:GLY_22:HN       1:SER_21:HA          1.760     2.523     2.523     32.000     32.000  1000.000     0.000
1:GLY_22:HN       1:SER_21:HB1         2.065     3.786     3.786     32.000     32.000  1000.000     0.000
1:GLY_22:HN       1:THR_24:HA          2.285     4.189     4.189     32.000     32.000  1000.000     0.000
1:SER_21:HN       1:ALA_20:HA          1.760     2.585     2.585     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:CYS_19:HB2         2.512     4.605     4.605     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:CYS_19:HB1         2.018     3.699     3.699     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:CYS_19:HA          1.760     2.837     2.837     32.000     32.000  1000.000     0.000
1:CYS_19:HN       1:VAL_18:HA          1.760     2.529     2.529     32.000     32.000  1000.000     0.000
1:CYS_19:HN       1:VAL_18:HB          2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:CYS_19:HN       1:VAL_18:HG2*        2.375     4.854     4.354     32.000     32.000  1000.000     0.000
1:TYR_13:HD*      1:TYR_13:HB2         1.760     3.559     3.059     32.000     32.000  1000.000     0.000
1:TYR_13:HD*      1:TYR_13:HB1         1.760     3.570     3.070     32.000     32.000  1000.000     0.000
1:TYR_13:HD*      1:TYR_13:HA          2.078     4.311     3.811     32.000     32.000  1000.000     0.000
1:TYR_13:HN       1:GLY_12:HA1         2.167     3.974     3.974     32.000     32.000  1000.000     0.000
1:TYR_13:HN       1:GLY_12:HA2         2.176     3.989     3.989     32.000     32.000  1000.000     0.000
1:TYR_13:HN       1:ILE_11:HA          2.443     4.479     4.479     32.000     32.000  1000.000     0.000
1:GLY_12:HN       1:ILE_11:HA          1.760     2.513     2.513     32.000     32.000  1000.000     0.000
1:GLY_12:HN       1:ILE_11:HG2*        1.875     3.938     3.438     32.000     32.000  1000.000     0.000
1:GLY_12:HN       1:ILE_11:HG12        2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:TYR_13:HE*      1:THR_17:HG2*        2.182     5.000     4.000     32.000     32.000  1000.000     0.000
1:TYR_13:HD*      1:THR_17:HG2*        2.800     6.500     6.000     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:TYR_31:HA          1.760     2.672     2.672     32.000     32.000  1000.000     0.000
1:TYR_13:HE*      1:TYR_13:HB1         2.232     4.592     4.092     32.000     32.000  1000.000     0.000
1:GLY_9:HN        1:GLN_7:HA           2.733     5.011     5.011     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:GLN_7:HA           1.760     2.564     2.564     32.000     32.000  1000.000     0.000
1:GLN_7:HE22      1:GLN_7:HG1          1.773     3.250     3.250     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:GLN_7:HG1          1.749     3.206     3.206     32.000     32.000  1000.000     0.000
1:GLN_7:HE22      1:GLN_7:HG2          1.850     3.392     3.392     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:GLN_7:HG2          1.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:GLN_7:HB2          1.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:GLN_7:HB1          1.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:SER_33:HB2         1.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:GLY_9:HN        1:SER_33:HB2         2.325     4.263     4.263     32.000     32.000  1000.000     0.000
1:GLN_7:HE22      1:TYR_13:HB1         2.771     5.080     5.080     32.000     32.000  1000.000     0.000
1:GLY_9:HN        1:CYS_8:HA           2.470     4.529     4.529     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:GLN_34:HA          1.864     3.417     3.417     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:GLY_6:HA1          1.760     2.924     2.924     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:GLY_6:HA2          1.836     3.365     3.365     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:TYR_5:HB1          2.815     5.161     5.161     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:TYR_5:HB2          2.054     3.766     3.766     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:LEUC_36:HD1*       1.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:TYR_5:HA           1.816     3.330     3.330     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:TYR_5:HB1          3.074     5.635     5.635     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:TYR_5:HB2          2.258     4.140     4.140     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:HIS_4:HA          2.677     4.907     4.907     32.000     32.000  1000.000     0.000
1:TYR_5:HD*       1:TYR_5:HB1          1.824     3.844     3.344     32.000     32.000  1000.000     0.000
1:TYR_5:HD*       1:TYR_5:HB2          1.760     3.581     3.081     32.000     32.000  1000.000     0.000
1:TYR_5:HD*       1:TYR_5:HA           1.988     4.144     3.644     32.000     32.000  1000.000     0.000
1:TYR_5:HE*       1:TYR_5:HB2          2.671     5.397     4.897     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:LEUC_36:HD1*       1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_5:HD*       1:LEUC_36:HD1*       1.800     7.000     6.500     32.000     32.000  1000.000     0.000
1:TYR_5:HE*       1:LEUC_36:HD1*       1.800     7.000     6.500     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:HIS_4:HA          1.760     2.629     2.629     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:GLN_2:HG1          3.207     5.880     5.880     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:GLN_2:HA           1.760     2.453     2.453     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:THRN_1:HG2*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:THRN_1:HA          1.760     2.973     2.973     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:THRN_1:HB          1.884     3.455     3.455     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:TYR_31:HA          1.913     4.008     3.508     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:ILE_11:HD1*        3.791     6.950     6.950     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:ILE_11:HG2*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:ILE_11:HB          2.413     4.923     4.423     32.000     32.000  1000.000     0.000
1:TYR_31:HE*      1:ILE_11:HD1*        2.845     5.716     5.216     32.000     32.000  1000.000     0.000
1:TYR_31:HE*      1:ILE_11:HG2*        1.800     7.000     6.500     32.000     32.000  1000.000     0.000
1:TYR_31:HE*      1:ILE_11:HB          2.317     4.747     4.247     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:THR_23:HG2*        1.800     7.000     6.500     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:THR_23:HB          1.793     3.288     3.288     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:THR_23:HA          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:GLN_7:HG2          1.970     3.611     3.611     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:GLN_7:HG1          1.760     2.934     2.934     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:TYR_13:HB2         1.923     3.525     3.525     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:TYR_13:HB1         2.111     6.000     7.537     32.000     32.000  1000.000     0.000
1:GLN_2:HE21      1:GLN_2:HB1          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_2:HE21      1:GLN_2:HG2          2.029     3.720     3.720     32.000     32.000  1000.000     0.000
1:GLN_2:HE21      1:GLN_2:HG1          2.151     3.943     3.943     32.000     32.000  1000.000     0.000
1:ASN_29:HD21     1:ASN_29:HB1         1.760     2.951     2.951     32.000     32.000  1000.000     0.000
1:ASN_29:HD21     1:ASN_29:HB2         1.760     3.111     3.111     32.000     32.000  1000.000     0.000
1:ASN_29:HD21     1:LEU_28:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ASN_29:HD21     1:LEU_28:HG          2.228     4.084     4.084     32.000     32.000  1000.000     0.000
1:GLN_34:HE21     1:GLN_34:HG1         1.704     3.125     3.125     32.000     32.000  1000.000     0.000
1:GLN_26:HE21     1:GLN_26:HG1         1.748     3.206     3.206     32.000     32.000  1000.000     0.000
1:GLN_26:HE22     1:GLN_26:HG1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_26:HE21     1:GLN_26:HG2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_2:HE22      1:GLN_2:HG1          2.592     4.752     4.752     32.000     32.000  1000.000     0.000
1:GLN_2:HE22      1:GLN_2:HG2          2.874     5.269     5.269     32.000     32.000  1000.000     0.000
1:ASN_29:HD22     1:ASN_29:HB1         3.492     6.402     6.402     32.000     32.000  1000.000     0.000
1:ASN_29:HD22     1:ASN_29:HB2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ASN_29:HD22     1:LEU_28:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ASN_29:HD22     1:LEU_28:HG          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_13:HE*      1:CYS_8:HA           2.033     4.028     3.728     32.000     32.000  1000.000     0.000
1:TYR_13:HE*      1:GLY_15:HA2         2.574     4.918     4.718     32.000     32.000  1000.000     0.000
1:TYR_13:HE*      1:GLN_7:HB2          2.212     4.555     4.055     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:HIS_4:HD2         2.107     3.863     3.863     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:LEUC_36:HA         1.760     3.095     3.095     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:HIS_4:HA          1.806     3.312     3.312     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:TYR_5:HA           1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:THR_23:HG2*        2.450     4.991     4.491     32.000     32.000  1000.000     0.000
1:TYR_5:HD*       1:HIS_4:HA          1.760     3.569     3.069     32.000     32.000  1000.000     0.000
1:VAL_18:HN       1:PRO_16:HA          2.398     4.396     4.396     32.000     32.000  1000.000     0.000
1:THR_17:HN       1:PRO_16:HB2         3.796     6.958     6.958     32.000     32.000  1000.000     0.000
1:THR_17:HN       1:PRO_16:HG1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:THR_17:HN       1:PRO_16:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:VAL_18:HN       1:PRO_16:HB1         2.992     5.486     5.486     32.000     32.000  1000.000     0.000
1:VAL_18:HN       1:PRO_16:HB2         2.821     5.171     5.171     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:PRO_30:HB2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_31:HE*      1:PRO_30:HB2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:PRO_30:HB1         3.124     5.728     5.728     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:PRO_30:HD2         2.975     5.854     5.454     32.000     32.000  1000.000     0.000
1:TYR_31:HE*      1:PRO_30:HD2         3.809     6.982     6.982     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:TYR_31:HB1         1.760     3.496     2.996     32.000     32.000  1000.000     0.000
1:TYR_31:HD*      1:TYR_31:HB2         1.742     3.694     3.194     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:LEU_28:HD1*        2.248     4.622     4.122     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:VAL_27:HA          2.554     4.682     4.682     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:ALA_20:HB*         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:THR_17:HN       1:VAL_18:HG1*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:THR_17:HN       1:VAL_18:HN          1.792     3.286     3.286     32.000     32.000  1000.000     0.000
1:TYR_31:HN       1:ALA_32:HN          1.760     3.053     3.053     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:GLY_9:HN           1.760     2.746     2.746     32.000     32.000  1000.000     0.000
1:TYR_13:HN       1:TYR_13:HD*         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_31:HN       1:TYR_31:HD*         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLY_12:HN       1:TYR_13:HN          1.969     3.611     3.611     32.000     32.000  1000.000     0.000
1:GLY_22:HN       1:THR_23:HN          1.740     3.190     3.190     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:GLY_6:HN           2.257     4.137     4.137     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:LEUC_36:HN         1.818     3.332     3.332     32.000     32.000  1000.000     0.000
1:LEU_28:HN       1:ASN_29:HN          2.148     3.938     3.938     32.000     32.000  1000.000     0.000
1:GLN_34:HN       1:LEU_28:HN          3.025     5.545     5.545     32.000     32.000  1000.000     0.000
1:GLY_10:HN       1:ILE_11:HN          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:GLN_7:HN           1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:GLN_26:HE22        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:ALA_32:HA          1.907     3.497     3.497     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:GLY_10:HA1         2.100     3.849     3.849     32.000     32.000  1000.000     0.000
1:GLN_34:HE21     1:TYR_5:HA           2.335     4.280     4.280     32.000     32.000  1000.000     0.000
1:GLN_34:HE21     1:TYR_5:HB2          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:GLN_2:HE22         3.037     5.567     5.567     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:CYS_8:HN           3.168     5.807     5.807     32.000     32.000  1000.000     0.000
1:GLN_7:HN        1:GLN_2:HE21         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:CYS_35:HB2         2.615     4.794     4.794     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:CYS_35:HB2         2.004     3.675     3.675     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:GLN_26:HG2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:SER_3:HA           2.800     5.134     5.134     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:THRN_1:HG2*        2.533     5.143     4.643     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:CYS_25:HA          2.224     4.078     4.078     32.000     32.000  1000.000     0.000
1:GLN_34:HE22     1:GLN_34:HG1         2.518     4.616     4.616     32.000     32.000  1000.000     0.000
1:GLN_26:HE21     1:LEUC_36:HB1        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_26:HE22     1:LEUC_36:HB1        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:HIS_4:HB2      1:THR_23:HG2*        2.212     4.555     4.055     32.000     32.000  1000.000     0.000
1:HIS_4:HB1      1:THR_23:HG2*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:HIS_4:HA       1:THR_23:HG2*        2.871     5.664     5.264     32.000     32.000  1000.000     0.000
1:SER_3:HA        1:ALA_20:HB*         1.795     3.791     3.291     32.000     32.000  1000.000     0.000
1:THR_23:HB       1:HIS_4:HB1         2.158     3.957     3.957     32.000     32.000  1000.000     0.000
1:GLN_26:HG1      1:LEUC_36:HB1        2.296     4.209     4.209     32.000     32.000  1000.000     0.000
1:GLN_26:HG1      1:LEUC_36:HG         3.181     5.832     5.832     32.000     32.000  1000.000     0.000
1:TYR_5:HB1       1:TYR_5:HB2          1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:CYS_25:HB1      1:CYS_8:HB2          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:PRO_30:HB1      1:ILE_11:HD1*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:SER_33:HA       1:VAL_27:HA          1.760     2.638     2.638     32.000     32.000  1000.000     0.000
1:GLY_15:HN       1:GLY_15:HA2         1.760     2.785     2.785     32.000     32.000  1000.000     0.000
1:GLY_15:HN       1:GLY_15:HA1         1.760     2.866     2.866     32.000     32.000  1000.000     0.000
1:THR_24:HB       1:THR_24:HG2*        1.760     3.137     2.637     32.000     32.000  1000.000     0.000
1:LEU_28:HA       1:LEU_28:HG          1.760     3.028     3.028     32.000     32.000  1000.000     0.000
1:LEU_28:HA       1:LEU_28:HD1*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HA        1:GLN_34:HA          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_25:HA       1:CYS_35:HA          2.238     4.103     4.103     32.000     32.000  1000.000     0.000
1:CYS_8:HB1       1:CYS_8:HA           1.760     2.943     2.943     32.000     32.000  1000.000     0.000
1:LEUC_36:HA      1:LEUC_36:HG         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:LEUC_36:HA      1:LEUC_36:HD1*       1.760     3.491     2.991     32.000     32.000  1000.000     0.000
1:SER_33:HN       1:GLN_7:HG1          2.594     4.755     4.755     32.000     32.000  1000.000     0.000
1:VAL_18:HN       1:THR_17:HA          2.228     4.085     4.085     32.000     32.000  1000.000     0.000
1:ALA_32:HA       1:CYS_8:HA           1.760     2.593     2.593     32.000     32.000  1000.000     0.000
1:ALA_32:HB*      1:ALA_32:HA          2.049     4.257     3.757     32.000     32.000  1000.000     0.000
1:LEU_28:HA       1:LEU_28:HB1         1.702     3.121     3.121     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:GLY_6:HA1          1.709     3.132     3.132     32.000     32.000  1000.000     0.000
1:LEUC_36:HN      1:GLN_26:HB2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_5:HN        1:LEUC_36:HG         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:CYS_35:HB1         2.291     4.201     4.201     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:GLN_2:HG2          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_35:HN       1:GLN_34:HB2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:TYR_31:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_8:HN        1:SER_33:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_34:HE21     1:GLN_34:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_2:HE22      1:GLN_2:HB1          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:VAL_27:HA          4.004     7.341     7.341     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:CYS_19:HA          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_34:HG1      1:GLN_34:HG2         1.760     1.770     1.770     32.000     32.000  1000.000     0.000
1:GLN_34:HG1      1:GLN_34:HB1         1.760     2.881     2.881     32.000     32.000  1000.000     0.000
1:GLN_34:HG2      1:GLN_34:HB1         1.760     2.835     2.835     32.000     32.000  1000.000     0.000
1:GLN_34:HG2      1:GLN_34:HB2         1.760     2.546     2.546     32.000     32.000  1000.000     0.000
1:GLN_34:HB1      1:LEUC_36:HB1        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_34:HG1      1:LEUC_36:HG         2.427     4.450     4.450     32.000     32.000  1000.000     0.000
1:GLN_34:HG1      1:LEU_28:HD1*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLY_6:HN        1:GLN_2:HG1          3.181     5.831     5.831     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:GLN_26:HG1         3.708     6.797     6.797     32.000     32.000  1000.000     0.000
1:THR_24:HN       1:CYS_35:HB2         2.623     4.810     4.810     32.000     32.000  1000.000     0.000
1:CYS_25:HN       1:CYS_35:HA          2.709     4.967     4.967     32.000     32.000  1000.000     0.000
1:GLY_10:HN       1:GLY_9:HA2          1.760     2.781     2.781     32.000     32.000  1000.000     0.000
1:GLY_10:HN       1:GLY_9:HA1          1.760     2.884     2.884     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:GLN_26:HG1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ASN_29:HN       1:VAL_27:HG1*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_35:HB1      1:CYS_19:HB2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_35:HB1      1:CYS_19:HB1         1.710     3.136     3.136     32.000     32.000  1000.000     0.000
1:CYS_35:HB1      1:THR_23:HB          1.796     3.294     3.294     32.000     32.000  1000.000     0.000
1:ASN_29:HB2      1:PRO_30:HD2         1.760     2.833     2.833     32.000     32.000  1000.000     0.000
1:ASN_29:HB1      1:PRO_30:HD2         2.007     3.680     3.680     32.000     32.000  1000.000     0.000
1:ASN_29:HB1      1:PRO_30:HD1         1.867     3.423     3.423     32.000     32.000  1000.000     0.000
1:TYR_5:HB2       1:TYR_5:HA           1.822     3.341     3.341     32.000     32.000  1000.000     0.000
1:TYR_5:HB1       1:TYR_5:HA           2.029     3.720     3.720     32.000     32.000  1000.000     0.000
1:SER_14:HB1      1:SER_14:HA          1.800     4.000     4.000     32.000     32.000  1000.000     0.000
1:SER_14:HB2      1:SER_14:HA          1.800     4.000     4.000     32.000     32.000  1000.000     0.000
1:PRO_16:HB2      1:PRO_16:HA          2.015     3.695     3.695     32.000     32.000  1000.000     0.000
1:PRO_16:HD2      1:PRO_16:HA          2.800     6.000     6.000     32.000     32.000  1000.000     0.000
1:SER_14:HN       1:TYR_13:HA          1.760     2.775     2.775     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:ALA_32:HA          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ALA_32:HN       1:PRO_30:HA          3.226     5.915     5.915     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:TYR_31:HD*         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ALA_32:HN       1:TYR_31:HD*         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:SER_33:HN       1:GLN_34:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:GLN_7:HB2          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HE21      1:GLN_7:HB1          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HE22      1:GLN_7:HB2          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_31:HE*      1:TYR_31:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_31:HE*      1:TYR_31:HB2         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_13:HE*      1:THR_17:HA          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:TYR_13:HH       1:TYR_13:HE*         1.806     3.310     3.310     32.000     32.000  1000.000     0.000
1:TYR_13:HH       1:GLY_15:HA2         2.053     3.764     3.764     32.000     32.000  1000.000     0.000
1:GLY_9:HN        1:SER_33:HB1         1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_7:HE22      1:TYR_13:HB2         3.194     5.856     5.856     32.000     32.000  1000.000     0.000
1:CYS_19:HN       1:VAL_18:HN          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_35:HN       1:CYS_8:HN           1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:ALA_20:HN       1:GLN_2:HN           2.384     4.370     4.370     32.000     32.000  1000.000     0.000
1:ILE_11:HN       1:GLY_12:HN          3.185     5.839     5.839     32.000     32.000  1000.000     0.000
1:VAL_27:HN       1:GLN_26:HN          3.138     5.752     5.752     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:GLN_2:HN           1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLY_10:HN       1:GLY_9:HN           1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_35:HB2      1:CYS_19:HB1         2.411     4.420     4.420     32.000     32.000  1000.000     0.000
1:CYS_35:HB2      1:THR_23:HB          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:CYS_25:HB1      1:CYS_8:HB1          2.613     4.791     4.791     32.000     32.000  1000.000     0.000
1:THRN_1:HA       1:VAL_18:HG1*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:HIS_4:HN       1:THR_23:HG2*        1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_34:HG1      1:GLN_34:HA          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_34:HB1      1:GLN_34:HA          2.648     4.855     4.855     32.000     32.000  1000.000     0.000
1:GLN_34:HB2      1:GLN_34:HA          3.256     5.970     5.970     32.000     32.000  1000.000     0.000
1:CYS_8:HB2       1:CYS_8:HA           1.760     3.047     3.047     32.000     32.000  1000.000     0.000
1:SER_33:HA       1:GLN_34:HB2         1.794     3.289     3.289     32.000     32.000  1000.000     0.000
1:GLN_34:HB2      1:LEUC_36:HG         1.760     2.923     2.923     32.000     32.000  1000.000     0.000
1:GLN_34:HB2      1:LEU_28:HD1*        2.325     4.763     4.263     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:GLN_2:HB2          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:GLN_2:HB1          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:HIS_4:HD2      1:CYS_35:HB2         3.883     7.119     7.119     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:GLN_2:HB1          1.805     3.308     3.308     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:GLN_2:HB2          1.760     2.820     2.820     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:GLN_2:HG1          1.800     6.500     6.500     32.000     32.000  1000.000     0.000
1:GLN_2:HN        1:GLN_2:HG2          2.066     3.788     3.788     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:SER_3:HA           1.760     2.753     2.753     32.000     32.000  1000.000     0.000
1:SER_3:HN        1:SER_3:HB1          1.760     2.886     2.886     32.000     32.000  1000.000     0.000
1:SER_3:HA        1:SER_3:HB1          1.760     2.955     2.955     32.000     32.000  1000.000     0.000
1:SER_3:HA        1:SER_3:HB2          1.760     2.734     2.734     32.000     32.000  1000.000     0.000
!
#3J_dihedral
1:SER_3:HN         1:SER_3:N          1:SER_3:CA         1:SER_3:HA          7.10  1.00 30.00 30.00 1000.000  132.5  159.2 -159.2 -132.5  -26.4   26.4 !A=6.700, B=-1.300, C=1.500
1:HIS_4:HN         1:HIS_4:N          1:HIS_4:CA         1:HIS_4:HA          5.30  1.00 30.00 30.00 1000.000   13.4   46.3  118.8  144.0 -144.0 -118.8  -46.3  -13.4 !A=6.700, B=-1.300, C=1.500
1:GLN_7:HN         1:GLN_7:N          1:GLN_7:CA         1:GLN_7:HA          5.40  1.00 30.00 30.00 1000.000   11.7   45.4  119.6  144.8 -144.8 -119.6  -45.4  -11.7 !A=6.700, B=-1.300, C=1.500
1:CYS_8:HN        1:CYS_8:N         1:CYS_8:CA        1:CYS_8:HA        10.00  1.00 30.00 30.00 1000.000  159.9 -159.9 !A=6.700, B=-1.300, C=1.500
1:ILE_11:HN        1:ILE_11:N         1:ILE_11:CA        1:ILE_11:HA         5.20  1.00 30.00 30.00 1000.000   14.9   47.3  118.0  143.3 -143.3 -118.0  -47.3  -14.9 !A=6.700, B=-1.300, C=1.500
1:TYR_13:HN        1:TYR_13:N         1:TYR_13:CA        1:TYR_13:HA         6.60  1.00 30.00 30.00 1000.000  128.7  154.6 -154.6 -128.7  -32.7   32.7 !A=6.700, B=-1.300, C=1.500
1:SER_14:HN        1:SER_14:N         1:SER_14:CA        1:SER_14:HA         9.40  1.00 30.00 30.00 1000.000  152.3 -152.3 !A=6.700, B=-1.300, C=1.500
1:THR_17:HN        1:THR_17:N         1:THR_17:CA        1:THR_17:HA         9.90  1.00 30.00 30.00 1000.000  158.4 -158.4 !A=6.700, B=-1.300, C=1.500
1:VAL_18:HN        1:VAL_18:N         1:VAL_18:CA        1:VAL_18:HA         8.70  1.00 30.00 30.00 1000.000  145.4 -145.4 !A=6.700, B=-1.300, C=1.500
1:CYS_19:HN       1:CYS_19:N        1:CYS_19:CA       1:CYS_19:HA        6.80  1.00 30.00 30.00 1000.000  130.2  156.3 -156.3 -130.2  -30.3   30.3 !A=6.700, B=-1.300, C=1.500
1:ALA_20:HN        1:ALA_20:N         1:ALA_20:CA        1:ALA_20:HA         7.20  1.00 30.00 30.00 1000.000  133.3  160.2 -160.2 -133.3  -24.9   24.9 !A=6.700, B=-1.300, C=1.500
1:SER_21:HN        1:SER_21:N         1:SER_21:CA        1:SER_21:HA         5.40  1.00 30.00 30.00 1000.000   11.7   45.4  119.6  144.8 -144.8 -119.6  -45.4  -11.7 !A=6.700, B=-1.300, C=1.500
1:THR_23:HN        1:THR_23:N         1:THR_23:CA        1:THR_23:HA         9.80  1.00 30.00 30.00 1000.000  157.0 -157.0 !A=6.700, B=-1.300, C=1.500
1:THR_24:HN        1:THR_24:N         1:THR_24:CA        1:THR_24:HA         9.20  1.00 30.00 30.00 1000.000  150.2 -150.2 !A=6.700, B=-1.300, C=1.500
1:CYS_25:HN       1:CYS_25:N        1:CYS_25:CA       1:CYS_25:HA        7.00  1.00 30.00 30.00 1000.000  131.7  158.2 -158.2 -131.7  -27.7   27.7 !A=6.700, B=-1.300, C=1.500
1:GLN_26:HN        1:GLN_26:N         1:GLN_26:CA        1:GLN_26:HA         9.40  1.00 30.00 30.00 1000.000  152.3 -152.3 !A=6.700, B=-1.300, C=1.500
1:VAL_27:HN        1:VAL_27:N         1:VAL_27:CA        1:VAL_27:HA         8.70  1.00 30.00 30.00 1000.000  145.4 -145.4 !A=6.700, B=-1.300, C=1.500
1:LEU_28:HN        1:LEU_28:N         1:LEU_28:CA        1:LEU_28:HA         9.80  1.00 30.00 30.00 1000.000  157.0 -157.0 !A=6.700, B=-1.300, C=1.500
1:ASN_29:HN        1:ASN_29:N         1:ASN_29:CA        1:ASN_29:HA         5.40  1.00 30.00 30.00 1000.000   11.7   45.4  119.6  144.8 -144.8 -119.6  -45.4  -11.7 !A=6.700, B=-1.300, C=1.500
1:TYR_31:HN        1:TYR_31:N         1:TYR_31:CA        1:TYR_31:HA         9.10  1.00 30.00 30.00 1000.000  149.2 -149.2 !A=6.700, B=-1.300, C=1.500
1:ALA_32:HN        1:ALA_32:N         1:ALA_32:CA        1:ALA_32:HA         9.40  1.00 30.00 30.00 1000.000  152.3 -152.3 !A=6.700, B=-1.300, C=1.500
1:SER_33:HN        1:SER_33:N         1:SER_33:CA        1:SER_33:HA        10.00  1.00 30.00 30.00 1000.000  159.9 -159.9 !A=6.700, B=-1.300, C=1.500
1:GLN_34:HN        1:GLN_34:N         1:GLN_34:CA        1:GLN_34:HA         9.40  1.00 30.00 30.00 1000.000  152.3 -152.3 !A=6.700, B=-1.300, C=1.500
1:LEUC_36:HN       1:LEUC_36:N        1:LEUC_36:CA       1:LEUC_36:HA       10.10  1.00 30.00 30.00 1000.000  161.5 -161.5 !A=6.700, B=-1.300, C=1.500
1:THRN_1:HA        1:THRN_1:CA        1:THRN_1:CB        1:THRN_1:HB         6.30  1.00 30.00 30.00 1000.000   26.8   50.8  116.9  137.9 -137.9 -116.9  -50.8  -26.8 !A=9.500, B=-1.600, C=1.800
1:SER_3:HA         1:SER_3:CA         1:SER_3:CB         1:SER_3:HB1         3.80  1.00 30.00 30.00 1000.000   44.3   70.2   99.5  123.9 -123.9  -99.5  -70.2  -44.3 !A=9.500, B=-1.600, C=1.800
1:GLN_7:HA         1:GLN_7:CA         1:GLN_7:CB         1:GLN_7:HB2         4.50  1.00 30.00 30.00 1000.000   39.4   64.0  105.3  128.1 -128.1 -105.3  -64.0  -39.4 !A=9.500, B=-1.600, C=1.800
1:CYS_8:HA        1:CYS_8:CA        1:CYS_8:CB        1:CYS_8:HB2        3.10  1.00 30.00 30.00 1000.000   49.3   78.7   91.5  119.5 -119.5  -91.5  -78.7  -49.3 !A=9.500, B=-1.600, C=1.800
1:ILE_11:HA        1:ILE_11:CA        1:ILE_11:CB        1:ILE_11:HB         9.40  1.00 30.00 30.00 1000.000  133.9  155.6 -155.6 -133.9  -27.8   27.8 !A=9.500, B=-1.600, C=1.800
1:TYR_13:HA        1:TYR_13:CA        1:TYR_13:CB        1:TYR_13:HB1       13.20  1.00 30.00 30.00 1000.000  159.9 -159.9 !A=9.500, B=-1.600, C=1.800
1:TYR_13:HA        1:TYR_13:CA        1:TYR_13:CB        1:TYR_13:HB2        3.50  1.00 30.00 30.00 1000.000   46.4   73.4   96.5  122.1 -122.1  -96.5  -73.4  -46.4 !A=9.500, B=-1.600, C=1.800
1:SER_14:HA        1:SER_14:CA        1:SER_14:CB        1:SER_14:HB1        3.60  1.00 30.00 30.00 1000.000   45.7   72.3   97.6  122.7 -122.7  -97.6  -72.3  -45.7 !A=9.500, B=-1.600, C=1.800
1:SER_14:HA        1:SER_14:CA        1:SER_14:CB        1:SER_14:HB2        3.80  1.00 30.00 30.00 1000.000   44.3   70.2   99.5  123.9 -123.9  -99.5  -70.2  -44.3 !A=9.500, B=-1.600, C=1.800
1:PRO_16:HA        1:PRO_16:CA        1:PRO_16:CB        1:PRO_16:HB2        3.50  1.00 30.00 30.00 1000.000   46.4   73.4   96.5  122.1 -122.1  -96.5  -73.4  -46.4 !A=9.500, B=-1.600, C=1.800
1:VAL_18:HA        1:VAL_18:CA        1:VAL_18:CB        1:VAL_18:HB         9.40  1.00 30.00 30.00 1000.000  133.9  155.6 -155.6 -133.9  -27.8   27.8 !A=9.500, B=-1.600, C=1.800
1:CYS_19:HA       1:CYS_19:CA       1:CYS_19:CB       1:CYS_19:HB1       3.10  1.00 30.00 30.00 1000.000   49.3   78.7   91.5  119.5 -119.5  -91.5  -78.7  -49.3 !A=9.500, B=-1.600, C=1.800
1:CYS_19:HA       1:CYS_19:CA       1:CYS_19:CB       1:CYS_19:HB2      12.50  1.00 30.00 30.00 1000.000  153.4 -153.4 !A=9.500, B=-1.600, C=1.800
1:SER_21:HA        1:SER_21:CA        1:SER_21:CB        1:SER_21:HB1        3.20  1.00 30.00 30.00 1000.000   48.6   77.2   92.9  120.2 -120.2  -92.9  -77.2  -48.6 !A=9.500, B=-1.600, C=1.800
1:THR_23:HA        1:THR_23:CA        1:THR_23:CB        1:THR_23:HB         3.10  1.00 30.00 30.00 1000.000   49.3   78.7   91.5  119.5 -119.5  -91.5  -78.7  -49.3 !A=9.500, B=-1.600, C=1.800
1:THR_24:HA        1:THR_24:CA        1:THR_24:CB        1:THR_24:HB         3.10  1.00 30.00 30.00 1000.000   49.3   78.7   91.5  119.5 -119.5  -91.5  -78.7  -49.3 !A=9.500, B=-1.600, C=1.800
1:CYS_25:HA       1:CYS_25:CA       1:CYS_25:CB       1:CYS_25:HB1       3.10  1.00 30.00 30.00 1000.000   49.3   78.7   91.5  119.5 -119.5  -91.5  -78.7  -49.3 !A=9.500, B=-1.600, C=1.800
1:CYS_25:HA       1:CYS_25:CA       1:CYS_25:CB       1:CYS_25:HB2      10.00  1.00 30.00 30.00 1000.000  137.2  159.6 -159.6 -137.2  -21.5   21.5 !A=9.500, B=-1.600, C=1.800
1:GLN_26:HA        1:GLN_26:CA        1:GLN_26:CB        1:GLN_26:HB1        3.00  1.00 30.00 30.00 1000.000   50.1   80.4   89.8  118.8 -118.8  -89.8  -80.4  -50.1 !A=9.500, B=-1.600, C=1.800
1:GLN_26:HA        1:GLN_26:CA        1:GLN_26:CB        1:GLN_26:HB2       11.00  1.00 30.00 30.00 1000.000  143.1  167.8 -167.8 -143.1 !A=9.500, B=-1.600, C=1.800
1:VAL_27:HA        1:VAL_27:CA        1:VAL_27:CB        1:VAL_27:HB         9.40  1.00 30.00 30.00 1000.000  133.9  155.6 -155.6 -133.9  -27.8   27.8 !A=9.500, B=-1.600, C=1.800
1:ASN_29:HA        1:ASN_29:CA        1:ASN_29:CB        1:ASN_29:HB2        3.00  1.00 30.00 30.00 1000.000   50.1   80.4   89.8  118.8 -118.8  -89.8  -80.4  -50.1 !A=9.500, B=-1.600, C=1.800
1:PRO_30:HA        1:PRO_30:CA        1:PRO_30:CB        1:PRO_30:HB1        3.60  1.00 30.00 30.00 1000.000   45.7   72.3   97.6  122.7 -122.7  -97.6  -72.3  -45.7 !A=9.500, B=-1.600, C=1.800
1:PRO_30:HA        1:PRO_30:CA        1:PRO_30:CB        1:PRO_30:HB2        9.30  1.00 30.00 30.00 1000.000  133.4  154.9 -154.9 -133.4  -28.7   28.7 !A=9.500, B=-1.600, C=1.800
1:TYR_31:HA        1:TYR_31:CA        1:TYR_31:CB        1:TYR_31:HB1        3.00  1.00 30.00 30.00 1000.000   50.1   80.4   89.8  118.8 -118.8  -89.8  -80.4  -50.1 !A=9.500, B=-1.600, C=1.800
1:TYR_31:HA        1:TYR_31:CA        1:TYR_31:CB        1:TYR_31:HB2       12.60  1.00 30.00 30.00 1000.000  154.2 -154.2 !A=9.500, B=-1.600, C=1.800
1:SER_33:HA        1:SER_33:CA        1:SER_33:CB        1:SER_33:HB1        3.10  1.00 30.00 30.00 1000.000   49.3   78.7   91.5  119.5 -119.5  -91.5  -78.7  -49.3 !A=9.500, B=-1.600, C=1.800
1:SER_33:HA        1:SER_33:CA        1:SER_33:CB        1:SER_33:HB2       11.20  1.00 30.00 30.00 1000.000  144.3  169.9 -169.9 -144.3 !A=9.500, B=-1.600, C=1.800
1:GLN_34:HA        1:GLN_34:CA        1:GLN_34:CB        1:GLN_34:HB1        3.60  1.00 30.00 30.00 1000.000   45.7   72.3   97.6  122.7 -122.7  -97.6  -72.3  -45.7 !A=9.500, B=-1.600, C=1.800
1:GLN_34:HA        1:GLN_34:CA        1:GLN_34:CB        1:GLN_34:HB2        4.50  1.00 30.00 30.00 1000.000   39.4   64.0  105.3  128.1 -128.1 -105.3  -64.0  -39.4 !A=9.500, B=-1.600, C=1.800
1:CYS_35:HA       1:CYS_35:CA       1:CYS_35:CB       1:CYS_35:HB1       4.50  1.00 30.00 30.00 1000.000   39.4   64.0  105.3  128.1 -128.1 -105.3  -64.0  -39.4 !A=9.500, B=-1.600, C=1.800
1:CYS_35:HA       1:CYS_35:CA       1:CYS_35:CB       1:CYS_35:HB2      12.20  1.00 30.00 30.00 1000.000  151.1 -151.1 !A=9.500, B=-1.600, C=1.800
1:LEUC_36:HA       1:LEUC_36:CA       1:LEUC_36:CB       1:LEUC_36:HB1       3.00  1.00 30.00 30.00 1000.000   50.1   80.4   89.8  118.8 -118.8  -89.8  -80.4  -50.1 !A=9.500, B=-1.600, C=1.800
1:LEUC_36:HA       1:LEUC_36:CA       1:LEUC_36:CB       1:LEUC_36:HB2      10.10  1.00 30.00 30.00 1000.000  137.8  160.3 -160.3 -137.8  -20.2   20.2 !A=9.500, B=-1.600, C=1.800


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          2H        THR   1 244.723  24.788  -2.297
    2   2H    THR   1          3H        THR   1 245.421  23.628  -1.359
    3   3H    THR   1          1H        THR   1 244.615  23.194  -2.748
    4    HA   THR   1           HA       THR   1 243.271  22.626  -0.961
    5    HB   THR   1           HB       THR   1 243.614  25.373   0.309
    6    HG1  THR   1           HG1      THR   1 245.162  24.046   1.606
    7   1HG2  THR   1          3HG2      THR   1 242.853  22.617   1.424
    8   2HG2  THR   1          1HG2      THR   1 243.090  24.087   2.379
    9   3HG2  THR   1          2HG2      THR   1 241.767  24.011   1.205
   10    H    GLN   2           H        GLN   2 241.057  22.633  -1.349
   11    HA   GLN   2           HA       GLN   2 239.849  24.606  -3.139
   12   1HB   GLN   2          1HB       GLN   2 239.457  22.275  -3.460
   13   2HB   GLN   2          2HB       GLN   2 238.926  22.033  -1.793
   14   1HG   GLN   2          1HG       GLN   2 237.143  22.080  -3.653
   15   2HG   GLN   2          2HG       GLN   2 236.822  22.960  -2.176
   16   1HE2  GLN   2          2HE2      GLN   2 236.602  26.096  -3.748
   17   2HE2  GLN   2          1HE2      GLN   2 236.672  25.209  -2.215
   18    H    SER   3           H        SER   3 240.524  26.248  -1.342
   19    HA   SER   3           HA       SER   3 239.263  26.437   1.130
   20   1HB   SER   3          1HB       SER   3 240.337  28.673  -0.620
   21   2HB   SER   3          2HB       SER   3 240.018  28.796   1.116
   22    HG   SER   3           HG       SER   3 241.788  27.642   1.498
   23    H    HIS   4           H        HIS   4 238.181  28.241  -1.813
   24    HA   HIS   4           HA       HIS   4 235.600  28.796  -0.431
   25   1HB   HIS   4          1HB       HIS   4 237.275  30.741  -1.019
   26   2HB   HIS   4          2HB       HIS   4 236.682  30.529  -2.671
   27    HD2  HIS   4           HD2      HIS   4 234.637  30.526   0.739
   28    HE1  HIS   4           HE1      HIS   4 233.224  33.698  -1.657
   29    HE2  HIS   4           HE2      HIS   4 232.977  32.471   0.624
   30    H    TYR   5           H        TYR   5 233.691  28.525  -1.458
   31    HA   TYR   5           HA       TYR   5 232.162  27.527  -2.755
   32   1HB   TYR   5          2HB       TYR   5 233.980  27.905  -5.151
   33   2HB   TYR   5          1HB       TYR   5 232.244  27.652  -5.158
   34    HD1  TYR   5           HD2      TYR   5 230.994  29.482  -3.409
   35    HD2  TYR   5           HD1      TYR   5 234.562  30.121  -5.767
   36    HE1  TYR   5           HE2      TYR   5 230.618  31.947  -3.332
   37    HE2  TYR   5           HE1      TYR   5 234.161  32.573  -5.691
   38    HH   TYR   5           HH       TYR   5 232.907  34.215  -4.833
   39    H    GLY   6           H        GLY   6 233.713  25.948  -1.290
   40   1HA   GLY   6          1HA       GLY   6 234.446  23.483  -2.799
   41   2HA   GLY   6          2HA       GLY   6 234.859  23.884  -1.138
   42    H    GLN   7           H        GLN   7 232.730  22.117  -3.115
   43    HA   GLN   7           HA       GLN   7 230.417  21.705  -1.634
   44   1HB   GLN   7          1HB       GLN   7 231.120  20.872  -3.939
   45   2HB   GLN   7          2HB       GLN   7 231.908  19.526  -3.117
   46   1HG   GLN   7          2HG       GLN   7 229.616  18.924  -2.147
   47   2HG   GLN   7          1HG       GLN   7 228.943  20.260  -3.089
   48   1HE2  GLN   7          2HE2      GLN   7 228.262  17.462  -5.262
   49   2HE2  GLN   7          1HE2      GLN   7 227.582  18.313  -3.874
   50    H    CYS   8           H        CYS   8 230.011  20.962   0.477
   51    HA   CYS   8           HA       CYS   8 231.767  18.808   1.607
   52   1HB   CYS   8          1HB       CYS   8 230.168  20.606   3.409
   53   2HB   CYS   8          2HB       CYS   8 231.623  19.677   3.714
   54    H    GLY   9           H        GLY   9 228.730  19.065   0.264
   55   1HA   GLY   9          2HA       GLY   9 227.828  16.533   1.217
   56   2HA   GLY   9          1HA       GLY   9 227.118  17.764   2.253
   57    H    GLY  10           H        GLY  10 226.638  15.980  -0.553
   58   1HA   GLY  10          2HA       GLY  10 224.010  16.249  -0.779
   59   2HA   GLY  10          1HA       GLY  10 224.471  17.655  -1.715
   60    H    ILE  11           H        ILE  11 223.384  16.627  -3.550
   61    HA   ILE  11           HA       ILE  11 223.618  14.063  -4.508
   62    HB   ILE  11           HB       ILE  11 223.271  16.609  -6.107
   63   1HG1  ILE  11          1HG1      ILE  11 221.313  14.472  -5.138
   64   2HG1  ILE  11          2HG1      ILE  11 221.527  16.076  -4.431
   65   1HG2  ILE  11          3HG2      ILE  11 222.909  13.731  -7.077
   66   2HG2  ILE  11          1HG2      ILE  11 222.412  15.179  -7.965
   67   3HG2  ILE  11          2HG2      ILE  11 224.108  14.887  -7.682
   68   1HD1  ILE  11          2HD1      ILE  11 220.817  17.090  -6.634
   69   2HD1  ILE  11          3HD1      ILE  11 220.395  15.452  -7.191
   70   3HD1  ILE  11          1HD1      ILE  11 219.565  16.145  -5.802
   71    H    GLY  12           H        GLY  12 225.102  12.755  -5.278
   72   1HA   GLY  12          2HA       GLY  12 226.843  11.961  -6.596
   73   2HA   GLY  12          1HA       GLY  12 227.277  13.597  -7.072
   74    H    TYR  13           H        TYR  13 227.309  13.970  -3.826
   75    HA   TYR  13           HA       TYR  13 230.233  13.686  -3.798
   76   1HB   TYR  13          1HB       TYR  13 228.810  15.772  -3.174
   77   2HB   TYR  13          2HB       TYR  13 228.515  14.953  -1.653
   78    HD1  TYR  13           HD2      TYR  13 231.322  15.941  -3.996
   79    HD2  TYR  13           HD1      TYR  13 230.080  15.450   0.128
   80    HE1  TYR  13           HE2      TYR  13 233.446  16.976  -3.215
   81    HE2  TYR  13           HE1      TYR  13 232.226  16.462   0.871
   82    HH   TYR  13           HH       TYR  13 233.952  18.291  -0.607
   83    H    SER  14           H        SER  14 231.347  13.178  -1.778
   84    HA   SER  14           HA       SER  14 230.035  11.285   0.105
   85   1HB   SER  14          1HB       SER  14 231.925   9.764   0.137
   86   2HB   SER  14          2HB       SER  14 231.210   9.824  -1.470
   87    HG   SER  14           HG       SER  14 232.952  10.934  -2.216
   88    H    GLY  15           H        GLY  15 233.455  11.950   0.177
   89   1HA   GLY  15          2HA       GLY  15 233.193  14.406   1.802
   90   2HA   GLY  15          1HA       GLY  15 233.723  13.003   2.717
   91    HA   PRO  16           HA       PRO  16 237.664  13.978   0.231
   92   1HB   PRO  16          1HB       PRO  16 237.704  14.762  -2.360
   93   2HB   PRO  16          2HB       PRO  16 237.247  13.097  -1.918
   94   1HG   PRO  16          1HG       PRO  16 235.358  15.440  -2.371
   95   2HG   PRO  16          2HG       PRO  16 235.333  13.872  -3.228
   96   1HD   PRO  16          2HD       PRO  16 233.754  14.230  -1.067
   97   2HD   PRO  16          1HD       PRO  16 234.663  12.713  -1.277
   98    H    THR  17           H        THR  17 236.464  15.827   1.878
   99    HA   THR  17           HA       THR  17 236.244  18.482   0.701
  100    HB   THR  17           HB       THR  17 235.792  19.224   3.014
  101    HG1  THR  17           HG1      THR  17 237.162  17.778   4.092
  102   1HG2  THR  17          2HG2      THR  17 233.956  18.306   1.683
  103   2HG2  THR  17          3HG2      THR  17 234.305  16.670   2.283
  104   3HG2  THR  17          1HG2      THR  17 233.764  17.932   3.406
  105    H    VAL  18           H        VAL  18 238.586  18.221  -0.157
  106    HA   VAL  18           HA       VAL  18 240.747  18.908   1.699
  107    HB   VAL  18           HB       VAL  18 240.822  19.054  -1.331
  108   1HG1  VAL  18          3HG2      VAL  18 242.838  20.045  -0.168
  109   2HG1  VAL  18          1HG2      VAL  18 243.014  18.542   0.748
  110   3HG1  VAL  18          2HG2      VAL  18 243.230  18.548  -1.010
  111   1HG2  VAL  18          1HG1      VAL  18 241.361  16.663   0.496
  112   2HG2  VAL  18          2HG1      VAL  18 240.054  16.784  -0.694
  113   3HG2  VAL  18          3HG1      VAL  18 241.723  16.730  -1.240
  114    H    CYS  19           H        CYS  19 239.063  20.653   2.402
  115    HA   CYS  19           HA       CYS  19 239.362  23.332   1.134
  116   1HB   CYS  19          1HB       CYS  19 237.119  22.538   1.352
  117   2HB   CYS  19          2HB       CYS  19 237.362  22.049   3.028
  118    H    ALA  20           H        ALA  20 239.378  25.188   2.812
  119    HA   ALA  20           HA       ALA  20 241.234  24.625   5.107
  120   1HB   ALA  20          2HB       ALA  20 242.274  26.086   3.396
  121   2HB   ALA  20          3HB       ALA  20 240.901  27.210   3.525
  122   3HB   ALA  20          1HB       ALA  20 241.972  26.953   4.909
  123    H    SER  21           H        SER  21 240.849  25.871   7.027
  124    HA   SER  21           HA       SER  21 238.051  26.689   7.589
  125   1HB   SER  21          1HB       SER  21 239.313  25.588   9.340
  126   2HB   SER  21          2HB       SER  21 240.554  26.859   9.308
  127    HG   SER  21           HG       SER  21 238.818  27.103  10.950
  128    H    GLY  22           H        GLY  22 238.142  28.939   8.914
  129   1HA   GLY  22          2HA       GLY  22 238.241  31.326   8.640
  130   2HA   GLY  22          1HA       GLY  22 239.171  31.152   7.156
  131    H    THR  23           H        THR  23 237.820  29.630   5.540
  132    HA   THR  23           HA       THR  23 234.998  30.512   5.171
  133    HB   THR  23           HB       THR  23 235.053  29.005   3.201
  134    HG1  THR  23           HG1      THR  23 236.825  27.849   2.764
  135   1HG2  THR  23          3HG2      THR  23 237.371  30.981   3.322
  136   2HG2  THR  23          1HG2      THR  23 236.729  30.256   1.839
  137   3HG2  THR  23          2HG2      THR  23 235.703  31.326   2.825
  138    H    THR  24           H        THR  24 233.567  28.535   4.673
  139    HA   THR  24           HA       THR  24 233.584  26.852   7.179
  140    HB   THR  24           HB       THR  24 231.281  27.492   7.452
  141    HG1  THR  24           HG1      THR  24 231.663  28.922   4.998
  142   1HG2  THR  24          2HG2      THR  24 232.955  29.165   8.237
  143   2HG2  THR  24          3HG2      THR  24 232.836  29.995   6.675
  144   3HG2  THR  24          1HG2      THR  24 231.418  29.888   7.729
  145    H    CYS  25           H        CYS  25 230.686  26.324   5.831
  146    HA   CYS  25           HA       CYS  25 230.829  24.247   3.995
  147   1HB   CYS  25          1HB       CYS  25 231.492  23.224   6.729
  148   2HB   CYS  25          2HB       CYS  25 230.487  22.231   5.685
  149    H    GLN  26           H        GLN  26 228.952  25.894   3.865
  150    HA   GLN  26           HA       GLN  26 226.545  25.059   5.460
  151   1HB   GLN  26          1HB       GLN  26 226.039  27.373   5.848
  152   2HB   GLN  26          2HB       GLN  26 227.666  26.993   6.419
  153   1HG   GLN  26          2HG       GLN  26 228.646  27.966   4.340
  154   2HG   GLN  26          1HG       GLN  26 227.026  28.344   3.762
  155   1HE2  GLN  26          2HE2      GLN  26 228.821  30.911   6.288
  156   2HE2  GLN  26          1HE2      GLN  26 229.697  29.551   5.576
  157    H    VAL  27           H        VAL  27 224.453  25.681   4.661
  158    HA   VAL  27           HA       VAL  27 223.974  24.493   2.228
  159    HB   VAL  27           HB       VAL  27 221.622  25.144   2.522
  160   1HG1  VAL  27          2HG2      VAL  27 222.581  23.167   3.683
  161   2HG1  VAL  27          3HG2      VAL  27 222.914  24.173   5.102
  162   3HG1  VAL  27          1HG2      VAL  27 221.241  23.923   4.565
  163   1HG2  VAL  27          1HG1      VAL  27 222.623  26.786   4.900
  164   2HG2  VAL  27          2HG1      VAL  27 221.770  27.396   3.474
  165   3HG2  VAL  27          3HG1      VAL  27 220.941  26.327   4.611
  166    H    LEU  28           H        LEU  28 223.884  24.969   0.138
  167    HA   LEU  28           HA       LEU  28 222.193  27.280  -0.540
  168   1HB   LEU  28          2HB       LEU  28 223.414  27.857  -2.586
  169   2HB   LEU  28          1HB       LEU  28 224.219  28.319  -1.107
  170    HG   LEU  28           HG       LEU  28 225.065  25.646  -2.157
  171   1HD1  LEU  28          1HD2      LEU  28 225.761  28.214  -3.656
  172   2HD1  LEU  28          2HD2      LEU  28 226.518  26.624  -3.909
  173   3HD1  LEU  28          3HD2      LEU  28 224.810  26.863  -4.302
  174   1HD2  LEU  28          2HD1      LEU  28 226.153  26.763  -0.209
  175   2HD2  LEU  28          3HD1      LEU  28 227.275  26.503  -1.554
  176   3HD2  LEU  28          1HD1      LEU  28 226.609  28.118  -1.266
  177    H    ASN  29           H        ASN  29 223.339  25.732  -3.365
  178    HA   ASN  29           HA       ASN  29 220.753  24.678  -3.947
  179   1HB   ASN  29          2HB       ASN  29 221.873  23.706  -5.989
  180   2HB   ASN  29          1HB       ASN  29 222.088  25.431  -5.735
  181   1HD2  ASN  29          2HD2      ASN  29 225.543  23.637  -4.709
  182   2HD2  ASN  29          1HD2      ASN  29 224.139  23.394  -3.662
  183    HA   PRO  30           HA       PRO  30 220.420  20.554  -2.388
  184   1HB   PRO  30          2HB       PRO  30 220.013  19.662  -5.258
  185   2HB   PRO  30          1HB       PRO  30 219.110  19.158  -3.799
  186   1HG   PRO  30          2HG       PRO  30 218.058  21.062  -5.391
  187   2HG   PRO  30          1HG       PRO  30 218.064  21.328  -3.627
  188   1HD   PRO  30          1HD       PRO  30 219.962  22.455  -5.689
  189   2HD   PRO  30          2HD       PRO  30 219.163  23.261  -4.315
  190    H    TYR  31           H        TYR  31 222.933  21.051  -4.732
  191    HA   TYR  31           HA       TYR  31 224.302  18.499  -4.437
  192   1HB   TYR  31          2HB       TYR  31 225.216  21.221  -5.439
  193   2HB   TYR  31          1HB       TYR  31 226.142  19.742  -5.574
  194    HD1  TYR  31           HD1      TYR  31 225.397  17.874  -7.052
  195    HD2  TYR  31           HD2      TYR  31 223.387  21.697  -6.986
  196    HE1  TYR  31           HE1      TYR  31 224.094  17.228  -9.071
  197    HE2  TYR  31           HE2      TYR  31 222.090  21.039  -9.014
  198    HH   TYR  31           HH       TYR  31 222.530  17.869 -10.566
  199    H    ALA  32           H        ALA  32 224.210  21.399  -2.468
  200    HA   ALA  32           HA       ALA  32 226.761  20.700  -1.094
  201   1HB   ALA  32          2HB       ALA  32 227.173  21.875  -3.330
  202   2HB   ALA  32          3HB       ALA  32 226.500  23.327  -2.574
  203   3HB   ALA  32          1HB       ALA  32 227.937  22.539  -1.896
  204    H    SER  33           H        SER  33 225.884  20.666   0.923
  205    HA   SER  33           HA       SER  33 225.902  23.396   2.131
  206   1HB   SER  33          1HB       SER  33 225.034  21.397   3.439
  207   2HB   SER  33          2HB       SER  33 226.708  20.835   3.565
  208    HG   SER  33           HG       SER  33 227.134  22.643   4.853
  209    H    GLN  34           H        GLN  34 227.737  24.592   1.819
  210    HA   GLN  34           HA       GLN  34 230.293  23.265   1.032
  211   1HB   GLN  34          1HB       GLN  34 229.629  23.610  -1.043
  212   2HB   GLN  34          2HB       GLN  34 228.330  24.712  -0.618
  213   1HG   GLN  34          2HG       GLN  34 229.908  26.607  -0.601
  214   2HG   GLN  34          1HG       GLN  34 231.252  25.522  -0.968
  215   1HE2  GLN  34          2HE2      GLN  34 229.454  26.977  -4.094
  216   2HE2  GLN  34          1HE2      GLN  34 229.403  27.752  -2.502
  217    H    CYS  35           H        CYS  35 232.209  24.355   1.089
  218    HA   CYS  35           HA       CYS  35 232.757  26.373   3.005
  219   1HB   CYS  35          2HB       CYS  35 234.474  25.585   0.618
  220   2HB   CYS  35          1HB       CYS  35 234.953  26.465   2.064
  221    H    LEU  36           H        LEU  36 231.034  27.845   2.467
  222    HA   LEU  36           HA       LEU  36 231.829  30.112   0.709
  223   1HB   LEU  36          1HB       LEU  36 229.689  29.868   2.856
  224   2HB   LEU  36          2HB       LEU  36 229.977  31.280   1.835
  225    HG   LEU  36           HG       LEU  36 229.037  28.549   0.836
  226   1HD1  LEU  36          3HD2      LEU  36 227.353  29.810   2.173
  227   2HD1  LEU  36          1HD2      LEU  36 227.572  31.214   1.127
  228   3HD1  LEU  36          2HD2      LEU  36 226.882  29.709   0.480
  229   1HD2  LEU  36          1HD1      LEU  36 229.488  31.205  -0.613
  230   2HD2  LEU  36          2HD1      LEU  36 230.318  29.666  -0.938
  231   3HD2  LEU  36          3HD1      LEU  36 228.599  29.831  -1.302
   
  No H/Q in entry =         231
  Start of MODEL    2
    1   1H    THR   1          1H        THR   1 244.940  21.367   0.795
    2   2H    THR   1          2H        THR   1 245.035  22.893   1.402
    3   3H    THR   1          3H        THR   1 245.146  21.619   2.438
    4    HA   THR   1           HA       THR   1 242.844  21.170   2.189
    5    HB   THR   1           HB       THR   1 241.847  23.526   2.633
    6    HG1  THR   1           HG1      THR   1 243.280  25.212   2.523
    7   1HG2  THR   1          2HG2      THR   1 242.926  22.181   4.509
    8   2HG2  THR   1          3HG2      THR   1 244.450  23.034   4.172
    9   3HG2  THR   1          1HG2      THR   1 243.020  23.934   4.699
   10    H    GLN   2           H        GLN   2 240.674  22.249   1.239
   11    HA   GLN   2           HA       GLN   2 240.951  22.542  -1.730
   12   1HB   GLN   2          1HB       GLN   2 239.777  20.582  -0.781
   13   2HB   GLN   2          2HB       GLN   2 238.554  21.633  -0.087
   14   1HG   GLN   2          2HG       GLN   2 239.168  21.632  -3.094
   15   2HG   GLN   2          1HG       GLN   2 238.155  20.393  -2.375
   16   1HE2  GLN   2          2HE2      GLN   2 236.388  23.833  -3.200
   17   2HE2  GLN   2          1HE2      GLN   2 237.858  23.282  -4.003
   18    H    SER   3           H        SER   3 239.577  24.056  -2.857
   19    HA   SER   3           HA       SER   3 239.848  26.644  -1.738
   20   1HB   SER   3          1HB       SER   3 238.531  25.828  -4.358
   21   2HB   SER   3          2HB       SER   3 239.163  27.430  -3.950
   22    HG   SER   3           HG       SER   3 240.779  26.337  -5.071
   23    H    HIS   4           H        HIS   4 238.455  28.356  -1.503
   24    HA   HIS   4           HA       HIS   4 235.914  28.369  -0.492
   25   1HB   HIS   4          1HB       HIS   4 237.526  30.298  -0.811
   26   2HB   HIS   4          2HB       HIS   4 237.039  30.383  -2.501
   27    HD2  HIS   4           HD2      HIS   4 234.810  30.187   0.785
   28    HE1  HIS   4           HE1      HIS   4 233.897  33.761  -1.245
   29    HE2  HIS   4           HE2      HIS   4 233.383  32.317   0.846
   30    H    TYR   5           H        TYR   5 233.810  28.704  -1.310
   31    HA   TYR   5           HA       TYR   5 232.013  28.038  -2.405
   32   1HB   TYR   5          2HB       TYR   5 233.517  28.743  -4.927
   33   2HB   TYR   5          1HB       TYR   5 231.779  28.568  -4.785
   34    HD1  TYR   5           HD1      TYR   5 230.892  30.013  -2.462
   35    HD2  TYR   5           HD2      TYR   5 233.995  31.032  -5.300
   36    HE1  TYR   5           HE1      TYR   5 230.482  32.426  -2.060
   37    HE2  TYR   5           HE2      TYR   5 233.546  33.442  -4.905
   38    HH   TYR   5           HH       TYR   5 232.315  34.952  -3.775
   39    H    GLY   6           H        GLY   6 234.342  25.910  -2.186
   40   1HA   GLY   6          2HA       GLY   6 233.734  23.865  -4.088
   41   2HA   GLY   6          1HA       GLY   6 234.484  23.648  -2.505
   42    H    GLN   7           H        GLN   7 232.260  22.150  -4.064
   43    HA   GLN   7           HA       GLN   7 229.910  22.113  -2.402
   44   1HB   GLN   7          1HB       GLN   7 229.943  21.251  -4.689
   45   2HB   GLN   7          2HB       GLN   7 231.164  20.048  -4.263
   46   1HG   GLN   7          2HG       GLN   7 229.534  18.890  -2.765
   47   2HG   GLN   7          1HG       GLN   7 228.327  20.123  -3.175
   48   1HE2  GLN   7          2HE2      GLN   7 227.347  17.359  -5.258
   49   2HE2  GLN   7          1HE2      GLN   7 227.211  17.914  -3.589
   50    H    CYS   8           H        CYS   8 229.957  21.535  -0.133
   51    HA   CYS   8           HA       CYS   8 231.287  18.906   0.466
   52   1HB   CYS   8          1HB       CYS   8 230.605  20.658   2.761
   53   2HB   CYS   8          2HB       CYS   8 231.961  19.589   2.495
   54    H    GLY   9           H        GLY   9 228.782  18.950  -0.785
   55   1HA   GLY   9          2HA       GLY   9 227.100  17.640   1.318
   56   2HA   GLY   9          1HA       GLY   9 226.357  18.738   0.169
   57    H    GLY  10           H        GLY  10 225.570  16.155   0.559
   58   1HA   GLY  10          1HA       GLY  10 226.961  14.061  -0.532
   59   2HA   GLY  10          2HA       GLY  10 225.242  14.041  -0.174
   60    H    ILE  11           H        ILE  11 224.142  15.588  -2.273
   61    HA   ILE  11           HA       ILE  11 223.834  13.424  -4.054
   62    HB   ILE  11           HB       ILE  11 222.907  16.286  -4.399
   63   1HG1  ILE  11          1HG1      ILE  11 221.669  13.730  -3.270
   64   2HG1  ILE  11          2HG1      ILE  11 221.943  15.268  -2.442
   65   1HG2  ILE  11          2HG2      ILE  11 223.009  15.124  -6.617
   66   2HG2  ILE  11          3HG2      ILE  11 222.044  13.795  -5.945
   67   3HG2  ILE  11          1HG2      ILE  11 221.365  15.429  -6.106
   68   1HD1  ILE  11          2HD1      ILE  11 220.228  16.297  -4.043
   69   2HD1  ILE  11          3HD1      ILE  11 219.860  14.645  -4.577
   70   3HD1  ILE  11          1HD1      ILE  11 219.599  15.105  -2.893
   71    H    GLY  12           H        GLY  12 224.964  12.661  -5.661
   72   1HA   GLY  12          1HA       GLY  12 226.387  12.450  -7.472
   73   2HA   GLY  12          2HA       GLY  12 226.358  14.200  -7.684
   74    H    TYR  13           H        TYR  13 227.395  12.851  -4.575
   75    HA   TYR  13           HA       TYR  13 230.252  13.441  -5.203
   76   1HB   TYR  13          1HB       TYR  13 228.573  15.390  -4.394
   77   2HB   TYR  13          2HB       TYR  13 228.843  14.670  -2.826
   78    HD1  TYR  13           HD2      TYR  13 230.740  15.775  -5.919
   79    HD2  TYR  13           HD1      TYR  13 230.601  15.719  -1.593
   80    HE1  TYR  13           HE2      TYR  13 232.585  17.447  -5.825
   81    HE2  TYR  13           HE1      TYR  13 232.475  17.346  -1.530
   82    HH   TYR  13           HH       TYR  13 233.349  19.028  -2.814
   83    H    SER  14           H        SER  14 231.362  13.576  -2.863
   84    HA   SER  14           HA       SER  14 230.782  11.248  -1.129
   85   1HB   SER  14          2HB       SER  14 232.971  10.254  -1.371
   86   2HB   SER  14          1HB       SER  14 232.209  10.381  -2.962
   87    HG   SER  14           HG       SER  14 234.313  11.148  -3.187
   88    H    GLY  15           H        GLY  15 233.586  13.319  -1.614
   89   1HA   GLY  15          2HA       GLY  15 233.711  15.545  -0.834
   90   2HA   GLY  15          1HA       GLY  15 232.691  15.183   0.542
   91    HA   PRO  16           HA       PRO  16 237.232  14.388   1.977
   92   1HB   PRO  16          1HB       PRO  16 239.318  14.412   0.254
   93   2HB   PRO  16          2HB       PRO  16 238.258  12.989   0.387
   94   1HG   PRO  16          1HG       PRO  16 238.025  15.247  -1.643
   95   2HG   PRO  16          2HG       PRO  16 238.160  13.499  -1.986
   96   1HD   PRO  16          2HD       PRO  16 235.730  14.737  -1.853
   97   2HD   PRO  16          1HD       PRO  16 235.949  13.087  -1.207
   98    H    THR  17           H        THR  17 235.658  16.839   1.451
   99    HA   THR  17           HA       THR  17 237.510  18.924   0.509
  100    HB   THR  17           HB       THR  17 235.547  20.429   0.755
  101    HG1  THR  17           HG1      THR  17 234.423  19.358   2.367
  102   1HG2  THR  17          2HG2      THR  17 236.049  19.175  -1.354
  103   2HG2  THR  17          3HG2      THR  17 234.944  17.887  -0.814
  104   3HG2  THR  17          1HG2      THR  17 234.345  19.537  -1.090
  105    H    VAL  18           H        VAL  18 238.880  18.231   2.426
  106    HA   VAL  18           HA       VAL  18 238.543  19.777   4.887
  107    HB   VAL  18           HB       VAL  18 241.113  18.878   3.522
  108   1HG1  VAL  18          3HG2      VAL  18 241.402  20.606   5.347
  109   2HG1  VAL  18          1HG2      VAL  18 240.532  19.533   6.455
  110   3HG1  VAL  18          2HG2      VAL  18 242.089  19.032   5.769
  111   1HG2  VAL  18          1HG1      VAL  18 239.430  17.439   5.628
  112   2HG2  VAL  18          2HG1      VAL  18 239.667  16.904   3.953
  113   3HG2  VAL  18          3HG1      VAL  18 241.036  16.937   5.064
  114    H    CYS  19           H        CYS  19 237.581  21.680   3.875
  115    HA   CYS  19           HA       CYS  19 238.945  23.181   1.921
  116   1HB   CYS  19          1HB       CYS  19 236.324  23.171   3.078
  117   2HB   CYS  19          2HB       CYS  19 236.887  24.833   3.101
  118    H    ALA  20           H        ALA  20 239.079  25.681   2.025
  119    HA   ALA  20           HA       ALA  20 241.396  26.350   3.571
  120   1HB   ALA  20          2HB       ALA  20 240.951  27.261   1.351
  121   2HB   ALA  20          3HB       ALA  20 239.534  28.137   1.967
  122   3HB   ALA  20          1HB       ALA  20 241.156  28.558   2.542
  123    H    SER  21           H        SER  21 240.442  25.705   5.666
  124    HA   SER  21           HA       SER  21 238.588  26.682   7.237
  125   1HB   SER  21          1HB       SER  21 240.350  25.100   7.949
  126   2HB   SER  21          2HB       SER  21 241.451  26.466   8.220
  127    HG   SER  21           HG       SER  21 238.897  26.199   9.489
  128    H    GLY  22           H        GLY  22 237.728  28.571   7.475
  129   1HA   GLY  22          1HA       GLY  22 238.202  31.029   8.475
  130   2HA   GLY  22          2HA       GLY  22 239.212  31.081   7.017
  131    H    THR  23           H        THR  23 238.037  29.886   5.122
  132    HA   THR  23           HA       THR  23 235.120  30.368   4.859
  133    HB   THR  23           HB       THR  23 235.219  29.157   2.804
  134    HG1  THR  23           HG1      THR  23 237.841  28.456   3.604
  135   1HG2  THR  23          3HG2      THR  23 237.749  30.887   2.996
  136   2HG2  THR  23          1HG2      THR  23 237.028  30.297   1.504
  137   3HG2  THR  23          2HG2      THR  23 236.115  31.411   2.544
  138    H    THR  24           H        THR  24 233.777  28.378   4.573
  139    HA   THR  24           HA       THR  24 234.344  26.337   6.705
  140    HB   THR  24           HB       THR  24 232.007  26.526   7.329
  141    HG1  THR  24           HG1      THR  24 231.925  28.566   5.335
  142   1HG2  THR  24          2HG2      THR  24 233.658  28.114   8.359
  143   2HG2  THR  24          3HG2      THR  24 233.210  29.323   7.138
  144   3HG2  THR  24          1HG2      THR  24 231.994  28.738   8.287
  145    H    CYS  25           H        CYS  25 231.354  26.030   5.261
  146    HA   CYS  25           HA       CYS  25 231.223  24.148   3.305
  147   1HB   CYS  25          1HB       CYS  25 232.297  22.817   5.791
  148   2HB   CYS  25          2HB       CYS  25 231.195  21.945   4.742
  149    H    GLN  26           H        GLN  26 229.267  25.714   3.724
  150    HA   GLN  26           HA       GLN  26 227.117  24.387   5.334
  151   1HB   GLN  26          1HB       GLN  26 226.501  26.387   6.426
  152   2HB   GLN  26          2HB       GLN  26 228.189  25.982   6.743
  153   1HG   GLN  26          2HG       GLN  26 228.863  27.696   4.989
  154   2HG   GLN  26          1HG       GLN  26 227.154  28.130   4.851
  155   1HE2  GLN  26          2HE2      GLN  26 229.279  29.630   7.923
  156   2HE2  GLN  26          1HE2      GLN  26 230.062  28.642   6.681
  157    H    VAL  27           H        VAL  27 224.907  25.395   5.049
  158    HA   VAL  27           HA       VAL  27 224.242  24.468   2.498
  159    HB   VAL  27           HB       VAL  27 221.920  24.708   3.172
  160   1HG1  VAL  27          1HG2      VAL  27 223.298  22.798   3.992
  161   2HG1  VAL  27          2HG2      VAL  27 223.599  23.701   5.498
  162   3HG1  VAL  27          3HG2      VAL  27 221.954  23.226   5.056
  163   1HG2  VAL  27          1HG1      VAL  27 222.974  26.222   5.610
  164   2HG2  VAL  27          2HG1      VAL  27 221.929  26.875   4.340
  165   3HG2  VAL  27          3HG1      VAL  27 221.318  25.620   5.410
  166    H    LEU  28           H        LEU  28 223.677  25.221   0.597
  167    HA   LEU  28           HA       LEU  28 221.907  27.589   0.514
  168   1HB   LEU  28          1HB       LEU  28 222.857  28.094  -1.882
  169   2HB   LEU  28          2HB       LEU  28 223.470  28.879  -0.458
  170    HG   LEU  28           HG       LEU  28 224.882  26.341  -1.301
  171   1HD1  LEU  28          2HD2      LEU  28 225.203  28.973  -2.805
  172   2HD1  LEU  28          3HD2      LEU  28 226.238  27.539  -2.955
  173   3HD1  LEU  28          1HD2      LEU  28 224.552  27.458  -3.473
  174   1HD2  LEU  28          2HD1      LEU  28 225.719  29.110  -0.277
  175   2HD2  LEU  28          3HD1      LEU  28 225.672  27.617   0.682
  176   3HD2  LEU  28          1HD1      LEU  28 226.833  27.804  -0.633
  177    H    ASN  29           H        ASN  29 223.017  24.735  -1.340
  178    HA   ASN  29           HA       ASN  29 220.240  24.435  -2.432
  179   1HB   ASN  29          1HB       ASN  29 221.166  23.935  -4.660
  180   2HB   ASN  29          2HB       ASN  29 221.602  25.543  -4.117
  181   1HD2  ASN  29          2HD2      ASN  29 224.922  24.691  -5.038
  182   2HD2  ASN  29          1HD2      ASN  29 223.622  25.873  -5.162
  183    HA   PRO  30           HA       PRO  30 220.624  20.152  -1.272
  184   1HB   PRO  30          1HB       PRO  30 218.940  18.824  -2.970
  185   2HB   PRO  30          2HB       PRO  30 218.373  20.022  -1.786
  186   1HG   PRO  30          2HG       PRO  30 219.009  20.500  -4.715
  187   2HG   PRO  30          1HG       PRO  30 217.496  20.896  -3.851
  188   1HD   PRO  30          1HD       PRO  30 219.408  22.758  -4.218
  189   2HD   PRO  30          2HD       PRO  30 218.542  22.680  -2.663
  190    H    TYR  31           H        TYR  31 222.899  20.880  -2.481
  191    HA   TYR  31           HA       TYR  31 223.944  18.348  -3.502
  192   1HB   TYR  31          2HB       TYR  31 224.454  20.876  -5.136
  193   2HB   TYR  31          1HB       TYR  31 225.093  19.273  -5.425
  194    HD1  TYR  31           HD1      TYR  31 222.119  21.452  -5.672
  195    HD2  TYR  31           HD2      TYR  31 223.739  17.544  -6.538
  196    HE1  TYR  31           HE1      TYR  31 220.246  21.025  -7.254
  197    HE2  TYR  31           HE2      TYR  31 221.858  17.133  -8.133
  198    HH   TYR  31           HH       TYR  31 219.385  19.607  -8.779
  199    H    ALA  32           H        ALA  32 224.656  21.783  -2.962
  200    HA   ALA  32           HA       ALA  32 227.248  21.186  -1.598
  201   1HB   ALA  32          2HB       ALA  32 227.305  22.461  -3.732
  202   2HB   ALA  32          3HB       ALA  32 226.341  23.739  -2.973
  203   3HB   ALA  32          1HB       ALA  32 227.955  23.354  -2.353
  204    H    SER  33           H        SER  33 226.660  20.870   0.477
  205    HA   SER  33           HA       SER  33 226.098  23.315   2.074
  206   1HB   SER  33          1HB       SER  33 225.746  21.049   3.078
  207   2HB   SER  33          2HB       SER  33 227.483  20.747   2.975
  208    HG   SER  33           HG       SER  33 227.799  22.344   4.514
  209    H    GLN  34           H        GLN  34 227.428  24.852   1.120
  210    HA   GLN  34           HA       GLN  34 229.846  24.007  -0.263
  211   1HB   GLN  34          2HB       GLN  34 227.936  25.446  -1.213
  212   2HB   GLN  34          1HB       GLN  34 228.552  26.725  -0.151
  213   1HG   GLN  34          1HG       GLN  34 230.720  26.671  -1.341
  214   2HG   GLN  34          2HG       GLN  34 230.114  25.379  -2.390
  215   1HE2  GLN  34          2HE2      GLN  34 229.188  27.967  -4.629
  216   2HE2  GLN  34          1HE2      GLN  34 230.175  26.514  -4.392
  217    H    CYS  35           H        CYS  35 231.958  24.915  -0.032
  218    HA   CYS  35           HA       CYS  35 232.805  26.080   2.463
  219   1HB   CYS  35          2HB       CYS  35 234.313  26.250  -0.153
  220   2HB   CYS  35          1HB       CYS  35 234.935  26.341   1.495
  221    H    LEU  36           H        LEU  36 231.076  27.792   2.567
  222    HA   LEU  36           HA       LEU  36 231.705  30.362   1.244
  223   1HB   LEU  36          2HB       LEU  36 229.926  29.624   3.602
  224   2HB   LEU  36          1HB       LEU  36 230.067  31.248   2.931
  225    HG   LEU  36           HG       LEU  36 229.024  28.795   1.431
  226   1HD1  LEU  36          3HD2      LEU  36 227.486  29.551   3.196
  227   2HD1  LEU  36          1HD2      LEU  36 227.551  31.212   2.580
  228   3HD1  LEU  36          2HD2      LEU  36 226.821  29.923   1.605
  229   1HD2  LEU  36          1HD1      LEU  36 229.150  31.737   0.601
  230   2HD2  LEU  36          2HD1      LEU  36 230.032  30.393  -0.158
  231   3HD2  LEU  36          3HD1      LEU  36 228.278  30.464  -0.280
   
  No H/Q in entry =         231
  Start of MODEL    3
    1   1H    THR   1          1H        THR   1 244.018  24.670  -2.674
    2   2H    THR   1          2H        THR   1 244.589  23.190  -2.215
    3   3H    THR   1          3H        THR   1 243.364  23.315  -3.341
    4    HA   THR   1           HA       THR   1 242.375  22.633  -1.368
    5    HB   THR   1           HB       THR   1 243.766  24.902   0.130
    6    HG1  THR   1           HG1      THR   1 245.129  23.126   0.841
    7   1HG2  THR   1          3HG2      THR   1 242.491  22.296   1.125
    8   2HG2  THR   1          1HG2      THR   1 243.276  23.530   2.114
    9   3HG2  THR   1          2HG2      THR   1 241.766  23.905   1.281
   10    H    GLN   2           H        GLN   2 240.236  23.347  -0.829
   11    HA   GLN   2           HA       GLN   2 239.387  25.783  -2.226
   12   1HB   GLN   2          2HB       GLN   2 237.707  23.777  -0.681
   13   2HB   GLN   2          1HB       GLN   2 237.193  25.043  -1.788
   14   1HG   GLN   2          2HG       GLN   2 238.684  22.473  -2.436
   15   2HG   GLN   2          1HG       GLN   2 237.134  23.005  -3.065
   16   1HE2  GLN   2          2HE2      GLN   2 238.664  25.234  -5.476
   17   2HE2  GLN   2          1HE2      GLN   2 237.229  25.104  -4.456
   18    H    SER   3           H        SER   3 240.196  27.520  -1.161
   19    HA   SER   3           HA       SER   3 239.194  28.284   1.539
   20   1HB   SER   3          1HB       SER   3 241.214  29.353   0.856
   21   2HB   SER   3          2HB       SER   3 240.538  29.842  -0.710
   22    HG   SER   3           HG       SER   3 240.526  31.468   1.133
   23    H    HIS   4           H        HIS   4 238.337  30.755  -0.553
   24    HA   HIS   4           HA       HIS   4 235.569  30.315  -0.350
   25   1HB   HIS   4          1HB       HIS   4 236.881  32.466  -0.892
   26   2HB   HIS   4          2HB       HIS   4 236.784  31.967  -2.579
   27    HD2  HIS   4           HD2      HIS   4 233.947  31.859   0.220
   28    HE1  HIS   4           HE1      HIS   4 232.767  34.536  -2.835
   29    HE2  HIS   4           HE2      HIS   4 232.049  33.433  -0.643
   30    H    TYR   5           H        TYR   5 234.462  28.706  -1.072
   31    HA   TYR   5           HA       TYR   5 233.182  27.550  -2.438
   32   1HB   TYR   5          2HB       TYR   5 234.904  28.136  -4.827
   33   2HB   TYR   5          1HB       TYR   5 233.328  27.378  -4.827
   34    HD1  TYR   5           HD2      TYR   5 231.502  28.902  -3.263
   35    HD2  TYR   5           HD1      TYR   5 234.830  30.363  -5.615
   36    HE1  TYR   5           HE2      TYR   5 230.357  31.081  -3.548
   37    HE2  TYR   5           HE1      TYR   5 233.692  32.560  -5.828
   38    HH   TYR   5           HH       TYR   5 231.939  33.807  -5.186
   39    H    GLY   6           H        GLY   6 233.408  25.668  -1.438
   40   1HA   GLY   6          1HA       GLY   6 234.926  23.488  -2.752
   41   2HA   GLY   6          2HA       GLY   6 235.267  23.769  -1.037
   42    H    GLN   7           H        GLN   7 233.709  21.658  -2.848
   43    HA   GLN   7           HA       GLN   7 231.007  21.648  -1.875
   44   1HB   GLN   7          1HB       GLN   7 231.963  20.774  -4.074
   45   2HB   GLN   7          2HB       GLN   7 232.537  19.365  -3.183
   46   1HG   GLN   7          2HG       GLN   7 230.148  18.892  -2.515
   47   2HG   GLN   7          1HG       GLN   7 229.652  20.363  -3.374
   48   1HE2  GLN   7          2HE2      GLN   7 228.895  17.677  -5.699
   49   2HE2  GLN   7          1HE2      GLN   7 228.243  18.336  -4.190
   50    H    CYS   8           H        CYS   8 230.076  20.685  -0.066
   51    HA   CYS   8           HA       CYS   8 231.651  18.717   1.549
   52   1HB   CYS   8          1HB       CYS   8 230.187  21.044   2.802
   53   2HB   CYS   8          2HB       CYS   8 231.347  19.933   3.531
   54    H    GLY   9           H        GLY   9 229.002  18.411  -0.055
   55   1HA   GLY   9          2HA       GLY   9 227.875  16.296   0.979
   56   2HA   GLY   9          1HA       GLY   9 227.251  17.404   2.189
   57    H    GLY  10           H        GLY  10 226.148  15.729  -0.224
   58   1HA   GLY  10          2HA       GLY  10 223.662  16.778  -0.673
   59   2HA   GLY  10          1HA       GLY  10 224.672  17.662  -1.832
   60    H    ILE  11           H        ILE  11 223.354  16.570  -3.516
   61    HA   ILE  11           HA       ILE  11 223.071  13.864  -4.061
   62    HB   ILE  11           HB       ILE  11 223.558  16.166  -5.971
   63   1HG1  ILE  11          1HG1      ILE  11 221.063  14.616  -5.115
   64   2HG1  ILE  11          2HG1      ILE  11 221.500  16.250  -4.614
   65   1HG2  ILE  11          3HG2      ILE  11 222.750  13.305  -6.676
   66   2HG2  ILE  11          1HG2      ILE  11 222.694  14.686  -7.787
   67   3HG2  ILE  11          2HG2      ILE  11 224.235  14.132  -7.186
   68   1HD1  ILE  11          1HD1      ILE  11 221.320  16.974  -7.042
   69   2HD1  ILE  11          2HD1      ILE  11 220.633  15.370  -7.396
   70   3HD1  ILE  11          3HD1      ILE  11 219.808  16.450  -6.280
   71    H    GLY  12           H        GLY  12 224.573  12.340  -3.718
   72   1HA   GLY  12          2HA       GLY  12 226.267  10.904  -4.350
   73   2HA   GLY  12          1HA       GLY  12 226.873  12.079  -5.506
   74    H    TYR  13           H        TYR  13 227.270  14.185  -3.385
   75    HA   TYR  13           HA       TYR  13 230.008  13.503  -2.999
   76   1HB   TYR  13          1HB       TYR  13 228.896  15.766  -3.532
   77   2HB   TYR  13          2HB       TYR  13 228.772  15.984  -1.800
   78    HD1  TYR  13           HD2      TYR  13 231.033  15.546  -4.714
   79    HD2  TYR  13           HD1      TYR  13 230.899  16.468  -0.485
   80    HE1  TYR  13           HE2      TYR  13 233.384  16.358  -4.798
   81    HE2  TYR  13           HE1      TYR  13 233.303  17.118  -0.573
   82    HH   TYR  13           HH       TYR  13 235.199  17.339  -1.903
   83    H    SER  14           H        SER  14 229.133  11.546  -1.534
   84    HA   SER  14           HA       SER  14 229.964  11.959   1.294
   85   1HB   SER  14          1HB       SER  14 229.764   9.470  -0.458
   86   2HB   SER  14          2HB       SER  14 230.204   9.472   1.260
   87    HG   SER  14           HG       SER  14 227.976   9.069   0.970
   88    H    GLY  15           H        GLY  15 231.668  13.446   0.242
   89   1HA   GLY  15          1HA       GLY  15 233.867  11.979  -1.218
   90   2HA   GLY  15          2HA       GLY  15 233.082  13.481  -1.709
   91    HA   PRO  16           HA       PRO  16 237.221  14.118   0.362
   92   1HB   PRO  16          1HB       PRO  16 238.705  15.069  -1.701
   93   2HB   PRO  16          2HB       PRO  16 238.271  13.351  -1.557
   94   1HG   PRO  16          2HG       PRO  16 236.811  15.462  -3.188
   95   2HG   PRO  16          1HG       PRO  16 237.447  13.900  -3.765
   96   1HD   PRO  16          2HD       PRO  16 234.859  14.157  -3.003
   97   2HD   PRO  16          1HD       PRO  16 235.776  12.681  -2.586
   98    H    THR  17           H        THR  17 236.098  15.717   1.689
   99    HA   THR  17           HA       THR  17 235.683  18.445   0.814
  100    HB   THR  17           HB       THR  17 235.250  18.925   3.163
  101    HG1  THR  17           HG1      THR  17 236.838  17.631   4.109
  102   1HG2  THR  17          2HG2      THR  17 233.561  17.679   1.732
  103   2HG2  THR  17          3HG2      THR  17 234.056  16.192   2.558
  104   3HG2  THR  17          1HG2      THR  17 233.359  17.528   3.490
  105    H    VAL  18           H        VAL  18 238.024  18.382  -0.176
  106    HA   VAL  18           HA       VAL  18 240.242  19.070   1.599
  107    HB   VAL  18           HB       VAL  18 240.096  19.401  -1.420
  108   1HG1  VAL  18          1HG2      VAL  18 242.482  18.983   0.453
  109   2HG1  VAL  18          2HG2      VAL  18 242.551  19.053  -1.318
  110   3HG1  VAL  18          3HG2      VAL  18 242.117  20.485  -0.405
  111   1HG2  VAL  18          1HG1      VAL  18 240.930  16.960   0.219
  112   2HG2  VAL  18          2HG1      VAL  18 239.539  17.067  -0.877
  113   3HG2  VAL  18          3HG1      VAL  18 241.167  17.152  -1.532
  114    H    CYS  19           H        CYS  19 238.584  20.734   2.573
  115    HA   CYS  19           HA       CYS  19 238.762  23.415   1.302
  116   1HB   CYS  19          1HB       CYS  19 236.522  22.712   1.694
  117   2HB   CYS  19          2HB       CYS  19 236.872  22.265   3.369
  118    H    ALA  20           H        ALA  20 239.222  25.303   2.506
  119    HA   ALA  20           HA       ALA  20 241.286  24.966   4.635
  120   1HB   ALA  20          2HB       ALA  20 241.917  26.200   2.594
  121   2HB   ALA  20          3HB       ALA  20 240.629  27.377   2.922
  122   3HB   ALA  20          1HB       ALA  20 241.971  27.205   4.058
  123    H    SER  21           H        SER  21 239.912  24.573   6.390
  124    HA   SER  21           HA       SER  21 237.736  25.910   7.403
  125   1HB   SER  21          1HB       SER  21 238.862  23.987   8.481
  126   2HB   SER  21          2HB       SER  21 240.160  25.064   9.030
  127    HG   SER  21           HG       SER  21 237.389  25.369   9.685
  128    H    GLY  22           H        GLY  22 237.277  27.941   7.726
  129   1HA   GLY  22          2HA       GLY  22 238.321  30.286   8.640
  130   2HA   GLY  22          1HA       GLY  22 239.363  29.955   7.243
  131    H    THR  23           H        THR  23 237.845  28.909   5.365
  132    HA   THR  23           HA       THR  23 235.136  30.165   5.210
  133    HB   THR  23           HB       THR  23 234.874  28.994   3.101
  134    HG1  THR  23           HG1      THR  23 236.680  27.997   2.161
  135   1HG2  THR  23          2HG2      THR  23 235.990  31.310   3.304
  136   2HG2  THR  23          3HG2      THR  23 237.523  30.477   2.965
  137   3HG2  THR  23          1HG2      THR  23 236.183  30.437   1.790
  138    H    THR  24           H        THR  24 233.391  28.577   4.819
  139    HA   THR  24           HA       THR  24 233.430  26.946   7.251
  140    HB   THR  24           HB       THR  24 231.020  27.204   7.241
  141    HG1  THR  24           HG1      THR  24 231.342  28.821   4.930
  142   1HG2  THR  24          2HG2      THR  24 232.442  28.982   8.216
  143   2HG2  THR  24          3HG2      THR  24 232.487  29.818   6.653
  144   3HG2  THR  24          1HG2      THR  24 230.947  29.641   7.517
  145    H    CYS  25           H        CYS  25 231.208  26.334   4.698
  146    HA   CYS  25           HA       CYS  25 230.950  24.114   3.490
  147   1HB   CYS  25          1HB       CYS  25 231.541  22.997   6.249
  148   2HB   CYS  25          2HB       CYS  25 230.681  22.116   5.014
  149    H    GLN  26           H        GLN  26 229.247  25.998   3.673
  150    HA   GLN  26           HA       GLN  26 226.855  25.132   5.260
  151   1HB   GLN  26          1HB       GLN  26 228.044  27.136   6.030
  152   2HB   GLN  26          2HB       GLN  26 227.714  27.930   4.486
  153   1HG   GLN  26          1HG       GLN  26 225.282  27.916   4.990
  154   2HG   GLN  26          2HG       GLN  26 225.563  26.889   6.407
  155   1HE2  GLN  26          2HE2      GLN  26 227.222  30.449   7.239
  156   2HE2  GLN  26          1HE2      GLN  26 227.959  29.391   6.031
  157    H    VAL  27           H        VAL  27 224.770  25.490   4.401
  158    HA   VAL  27           HA       VAL  27 224.374  24.407   1.875
  159    HB   VAL  27           HB       VAL  27 221.993  24.890   2.183
  160   1HG1  VAL  27          3HG2      VAL  27 223.095  22.875   3.076
  161   2HG1  VAL  27          1HG2      VAL  27 223.384  23.717   4.618
  162   3HG1  VAL  27          2HG2      VAL  27 221.731  23.395   4.071
  163   1HG2  VAL  27          2HG1      VAL  27 222.045  27.051   3.381
  164   2HG2  VAL  27          3HG1      VAL  27 221.170  25.835   4.298
  165   3HG2  VAL  27          1HG1      VAL  27 222.814  26.277   4.778
  166    H    LEU  28           H        LEU  28 224.548  25.087  -0.145
  167    HA   LEU  28           HA       LEU  28 223.067  27.612  -0.797
  168   1HB   LEU  28          1HB       LEU  28 224.599  26.953  -3.095
  169   2HB   LEU  28          2HB       LEU  28 224.541  28.432  -2.194
  170    HG   LEU  28           HG       LEU  28 226.405  26.129  -1.507
  171   1HD1  LEU  28          1HD2      LEU  28 226.916  28.594  -3.242
  172   2HD1  LEU  28          2HD2      LEU  28 228.142  27.426  -2.728
  173   3HD1  LEU  28          3HD2      LEU  28 226.846  26.916  -3.818
  174   1HD2  LEU  28          2HD1      LEU  28 226.370  29.109  -0.784
  175   2HD2  LEU  28          3HD1      LEU  28 226.152  27.763   0.345
  176   3HD2  LEU  28          1HD1      LEU  28 227.713  28.019  -0.424
  177    H    ASN  29           H        ASN  29 223.569  24.188  -1.719
  178    HA   ASN  29           HA       ASN  29 221.020  24.200  -3.186
  179   1HB   ASN  29          1HB       ASN  29 222.046  23.855  -5.420
  180   2HB   ASN  29          2HB       ASN  29 222.586  25.369  -4.750
  181   1HD2  ASN  29          2HD2      ASN  29 225.976  24.319  -4.865
  182   2HD2  ASN  29          1HD2      ASN  29 224.854  25.652  -4.592
  183    HA   PRO  30           HA       PRO  30 220.728  19.852  -2.698
  184   1HB   PRO  30          2HB       PRO  30 220.639  19.548  -5.715
  185   2HB   PRO  30          1HB       PRO  30 219.630  18.740  -4.486
  186   1HG   PRO  30          1HG       PRO  30 218.638  20.895  -5.748
  187   2HG   PRO  30          2HG       PRO  30 218.499  20.821  -3.965
  188   1HD   PRO  30          1HD       PRO  30 220.560  22.280  -5.631
  189   2HD   PRO  30          2HD       PRO  30 219.606  22.899  -4.252
  190    H    TYR  31           H        TYR  31 223.335  20.760  -4.956
  191    HA   TYR  31           HA       TYR  31 224.767  18.186  -4.646
  192   1HB   TYR  31          2HB       TYR  31 225.710  20.776  -5.936
  193   2HB   TYR  31          1HB       TYR  31 226.447  19.198  -6.060
  194    HD1  TYR  31           HD2      TYR  31 225.352  17.370  -7.381
  195    HD2  TYR  31           HD1      TYR  31 223.731  21.374  -7.257
  196    HE1  TYR  31           HE2      TYR  31 223.755  16.790  -9.200
  197    HE2  TYR  31           HE1      TYR  31 222.106  20.762  -9.044
  198    HH   TYR  31           HH       TYR  31 222.111  17.543 -10.553
  199    H    ALA  32           H        ALA  32 224.528  21.172  -2.894
  200    HA   ALA  32           HA       ALA  32 226.972  20.587  -1.340
  201   1HB   ALA  32          2HB       ALA  32 227.707  21.698  -3.437
  202   2HB   ALA  32          3HB       ALA  32 226.779  23.135  -2.958
  203   3HB   ALA  32          1HB       ALA  32 228.116  22.540  -1.938
  204    H    SER  33           H        SER  33 226.120  20.652   0.591
  205    HA   SER  33           HA       SER  33 226.179  23.425   1.611
  206   1HB   SER  33          1HB       SER  33 225.405  21.521   3.135
  207   2HB   SER  33          2HB       SER  33 227.093  20.981   3.177
  208    HG   SER  33           HG       SER  33 227.354  22.628   4.608
  209    H    GLN  34           H        GLN  34 228.095  24.470   1.990
  210    HA   GLN  34           HA       GLN  34 230.354  23.628   0.279
  211   1HB   GLN  34          2HB       GLN  34 227.942  24.532  -0.729
  212   2HB   GLN  34          1HB       GLN  34 228.779  26.045  -0.552
  213   1HG   GLN  34          2HG       GLN  34 230.090  23.719  -2.031
  214   2HG   GLN  34          1HG       GLN  34 228.835  24.697  -2.790
  215   1HE2  GLN  34          2HE2      GLN  34 231.311  26.938  -3.833
  216   2HE2  GLN  34          1HE2      GLN  34 229.879  26.009  -4.270
  217    H    CYS  35           H        CYS  35 232.234  24.832   0.530
  218    HA   CYS  35           HA       CYS  35 232.485  26.662   2.770
  219   1HB   CYS  35          2HB       CYS  35 234.469  25.731   0.679
  220   2HB   CYS  35          1HB       CYS  35 234.834  26.853   1.987
  221    H    LEU  36           H        LEU  36 230.796  28.128   2.072
  222    HA   LEU  36           HA       LEU  36 231.807  30.669   0.999
  223   1HB   LEU  36          2HB       LEU  36 229.907  30.052   3.300
  224   2HB   LEU  36          1HB       LEU  36 230.152  31.634   2.565
  225    HG   LEU  36           HG       LEU  36 228.992  29.186   1.150
  226   1HD1  LEU  36          3HD2      LEU  36 227.513  30.015   2.929
  227   2HD1  LEU  36          1HD2      LEU  36 227.587  31.657   2.258
  228   3HD1  LEU  36          2HD2      LEU  36 226.824  30.347   1.334
  229   1HD2  LEU  36          1HD1      LEU  36 229.186  32.098   0.236
  230   2HD2  LEU  36          2HD1      LEU  36 230.074  30.718  -0.454
  231   3HD2  LEU  36          3HD1      LEU  36 228.318  30.802  -0.614
   
  No H/Q in entry =         231
  Start of MODEL    4
    1   1H    THR   1          1H        THR   1 244.750  23.716  -1.164
    2   2H    THR   1          2H        THR   1 245.188  22.495  -0.149
    3   3H    THR   1          3H        THR   1 244.419  22.147  -1.585
    4    HA   THR   1           HA       THR   1 242.855  21.888   0.124
    5    HB   THR   1           HB       THR   1 243.680  24.592   1.267
    6    HG1  THR   1           HG1      THR   1 244.844  23.157   2.760
    7   1HG2  THR   1          2HG2      THR   1 241.488  23.655   2.033
    8   2HG2  THR   1          3HG2      THR   1 242.312  22.177   2.562
    9   3HG2  THR   1          1HG2      THR   1 242.682  23.720   3.333
   10    H    GLN   2           H        GLN   2 240.655  22.361  -0.338
   11    HA   GLN   2           HA       GLN   2 240.131  24.318  -2.415
   12   1HB   GLN   2          1HB       GLN   2 239.115  22.161  -2.600
   13   2HB   GLN   2          2HB       GLN   2 238.472  22.241  -0.958
   14   1HG   GLN   2          1HG       GLN   2 236.698  22.524  -2.589
   15   2HG   GLN   2          2HG       GLN   2 236.854  23.959  -1.581
   16   1HE2  GLN   2          2HE2      GLN   2 236.412  25.010  -5.145
   17   2HE2  GLN   2          1HE2      GLN   2 235.472  23.875  -4.208
   18    H    SER   3           H        SER   3 240.135  26.436  -1.738
   19    HA   SER   3           HA       SER   3 238.964  27.282   0.848
   20   1HB   SER   3          1HB       SER   3 240.979  28.366   0.211
   21   2HB   SER   3          2HB       SER   3 240.343  28.811  -1.375
   22    HG   SER   3           HG       SER   3 239.183  29.718   1.073
   23    H    HIS   4           H        HIS   4 238.264  29.505  -1.699
   24    HA   HIS   4           HA       HIS   4 235.547  29.530  -1.019
   25   1HB   HIS   4          1HB       HIS   4 237.152  31.338  -2.143
   26   2HB   HIS   4          2HB       HIS   4 236.435  30.749  -3.633
   27    HD2  HIS   4           HD2      HIS   4 234.464  31.321  -0.229
   28    HE1  HIS   4           HE1      HIS   4 233.233  34.271  -2.986
   29    HE2  HIS   4           HE2      HIS   4 232.835  33.297  -0.653
   30    H    TYR   5           H        TYR   5 233.835  28.484  -1.637
   31    HA   TYR   5           HA       TYR   5 232.251  27.464  -2.818
   32   1HB   TYR   5          2HB       TYR   5 233.900  27.749  -5.319
   33   2HB   TYR   5          1HB       TYR   5 232.194  27.381  -5.223
   34    HD1  TYR   5           HD2      TYR   5 230.813  29.180  -3.601
   35    HD2  TYR   5           HD1      TYR   5 234.344  29.992  -5.965
   36    HE1  TYR   5           HE2      TYR   5 230.142  31.565  -3.808
   37    HE2  TYR   5           HE1      TYR   5 233.645  32.364  -6.172
   38    HH   TYR   5           HH       TYR   5 232.141  33.919  -5.568
   39    H    GLY   6           H        GLY   6 233.683  25.825  -1.317
   40   1HA   GLY   6          2HA       GLY   6 234.264  23.275  -2.754
   41   2HA   GLY   6          1HA       GLY   6 234.595  23.659  -1.070
   42    H    GLN   7           H        GLN   7 232.659  21.737  -3.001
   43    HA   GLN   7           HA       GLN   7 230.191  21.738  -1.575
   44   1HB   GLN   7          1HB       GLN   7 230.325  20.931  -3.810
   45   2HB   GLN   7          2HB       GLN   7 231.487  19.660  -3.376
   46   1HG   GLN   7          2HG       GLN   7 229.819  18.435  -2.089
   47   2HG   GLN   7          1HG       GLN   7 228.686  19.779  -2.185
   48   1HE2  GLN   7          2HE2      GLN   7 227.297  17.467  -4.560
   49   2HE2  GLN   7          1HE2      GLN   7 227.410  17.706  -2.810
   50    H    CYS   8           H        CYS   8 230.289  21.497   0.669
   51    HA   CYS   8           HA       CYS   8 231.164  18.823   1.722
   52   1HB   CYS   8          1HB       CYS   8 230.194  21.157   3.361
   53   2HB   CYS   8          2HB       CYS   8 231.228  19.807   3.852
   54    H    GLY   9           H        GLY   9 229.168  18.249   0.156
   55   1HA   GLY   9          1HA       GLY   9 226.891  17.623   1.865
   56   2HA   GLY   9          2HA       GLY   9 226.527  18.929   0.733
   57    H    GLY  10           H        GLY  10 225.049  16.713   0.773
   58   1HA   GLY  10          1HA       GLY  10 225.855  14.295  -0.024
   59   2HA   GLY  10          2HA       GLY  10 224.206  14.843  -0.241
   60    H    ILE  11           H        ILE  11 223.777  15.991  -2.456
   61    HA   ILE  11           HA       ILE  11 224.070  13.842  -4.251
   62    HB   ILE  11           HB       ILE  11 223.014  16.622  -4.806
   63   1HG1  ILE  11          2HG1      ILE  11 221.689  13.956  -4.086
   64   2HG1  ILE  11          1HG1      ILE  11 221.820  15.375  -3.045
   65   1HG2  ILE  11          2HG2      ILE  11 223.660  15.486  -6.946
   66   2HG2  ILE  11          3HG2      ILE  11 222.682  14.083  -6.477
   67   3HG2  ILE  11          1HG2      ILE  11 221.924  15.657  -6.778
   68   1HD1  ILE  11          3HD1      ILE  11 220.422  16.658  -4.725
   69   2HD1  ILE  11          1HD1      ILE  11 220.113  15.115  -5.551
   70   3HD1  ILE  11          2HD1      ILE  11 219.597  15.337  -3.878
   71    H    GLY  12           H        GLY  12 225.818  13.167  -5.175
   72   1HA   GLY  12          1HA       GLY  12 227.418  13.391  -7.039
   73   2HA   GLY  12          2HA       GLY  12 227.785  15.020  -6.506
   74    H    TYR  13           H        TYR  13 227.841  13.920  -3.557
   75    HA   TYR  13           HA       TYR  13 230.776  13.935  -3.916
   76   1HB   TYR  13          1HB       TYR  13 229.228  15.822  -3.029
   77   2HB   TYR  13          2HB       TYR  13 229.325  14.967  -1.507
   78    HD1  TYR  13           HD1      TYR  13 231.217  16.675  -4.213
   79    HD2  TYR  13           HD2      TYR  13 231.501  14.982  -0.249
   80    HE1  TYR  13           HE1      TYR  13 233.484  17.658  -3.953
   81    HE2  TYR  13           HE2      TYR  13 233.774  15.983   0.001
   82    HH   TYR  13           HH       TYR  13 235.205  18.042  -2.522
   83    H    SER  14           H        SER  14 230.660  11.450  -3.971
   84    HA   SER  14           HA       SER  14 231.146  10.146  -1.363
   85   1HB   SER  14          1HB       SER  14 232.017   8.312  -2.719
   86   2HB   SER  14          2HB       SER  14 230.495   8.885  -3.426
   87    HG   SER  14           HG       SER  14 233.129   9.531  -4.260
   88    H    GLY  15           H        GLY  15 232.460  12.478  -1.062
   89   1HA   GLY  15          1HA       GLY  15 235.283  12.173  -2.071
   90   2HA   GLY  15          2HA       GLY  15 234.339  13.643  -2.197
   91    HA   PRO  16           HA       PRO  16 236.675  13.716   1.926
   92   1HB   PRO  16          1HB       PRO  16 239.248  14.324   1.417
   93   2HB   PRO  16          2HB       PRO  16 238.642  12.663   1.224
   94   1HG   PRO  16          1HG       PRO  16 238.999  14.737  -0.966
   95   2HG   PRO  16          2HG       PRO  16 239.588  13.059  -0.953
   96   1HD   PRO  16          1HD       PRO  16 237.202  13.823  -2.132
   97   2HD   PRO  16          2HD       PRO  16 237.452  12.205  -1.409
   98    H    THR  17           H        THR  17 235.804  15.647   2.712
   99    HA   THR  17           HA       THR  17 235.788  18.136   1.226
  100    HB   THR  17           HB       THR  17 234.816  19.128   3.230
  101    HG1  THR  17           HG1      THR  17 236.014  18.011   4.787
  102   1HG2  THR  17          2HG2      THR  17 233.380  17.742   1.706
  103   2HG2  THR  17          3HG2      THR  17 233.614  16.362   2.805
  104   3HG2  THR  17          1HG2      THR  17 232.808  17.829   3.383
  105    H    VAL  18           H        VAL  18 238.262  17.919   0.890
  106    HA   VAL  18           HA       VAL  18 240.038  18.829   3.011
  107    HB   VAL  18           HB       VAL  18 240.607  18.792   0.023
  108   1HG1  VAL  18          3HG2      VAL  18 242.341  19.989   1.421
  109   2HG1  VAL  18          1HG2      VAL  18 242.478  18.553   2.437
  110   3HG1  VAL  18          2HG2      VAL  18 242.954  18.496   0.729
  111   1HG2  VAL  18          1HG1      VAL  18 240.954  16.552   2.073
  112   2HG2  VAL  18          2HG1      VAL  18 239.879  16.539   0.665
  113   3HG2  VAL  18          3HG1      VAL  18 241.614  16.547   0.424
  114    H    CYS  19           H        CYS  19 238.371  20.637   3.446
  115    HA   CYS  19           HA       CYS  19 238.678  23.065   1.832
  116   1HB   CYS  19          1HB       CYS  19 236.452  22.368   2.280
  117   2HB   CYS  19          2HB       CYS  19 236.756  22.237   4.017
  118    H    ALA  20           H        ALA  20 239.020  25.198   2.765
  119    HA   ALA  20           HA       ALA  20 241.152  25.210   4.864
  120   1HB   ALA  20          2HB       ALA  20 241.685  26.325   2.763
  121   2HB   ALA  20          3HB       ALA  20 240.255  27.375   2.933
  122   3HB   ALA  20          1HB       ALA  20 241.587  27.490   4.095
  123    H    SER  21           H        SER  21 240.189  25.168   6.882
  124    HA   SER  21           HA       SER  21 237.775  26.237   7.770
  125   1HB   SER  21          2HB       SER  21 238.704  26.038  10.023
  126   2HB   SER  21          1HB       SER  21 239.141  24.639   9.041
  127    HG   SER  21           HG       SER  21 240.809  26.927   9.400
  128    H    GLY  22           H        GLY  22 237.415  28.224   6.898
  129   1HA   GLY  22          1HA       GLY  22 238.102  30.764   8.027
  130   2HA   GLY  22          2HA       GLY  22 239.287  30.351   6.771
  131    H    THR  23           H        THR  23 237.919  29.067   4.911
  132    HA   THR  23           HA       THR  23 235.251  30.313   4.456
  133    HB   THR  23           HB       THR  23 235.038  29.126   2.403
  134    HG1  THR  23           HG1      THR  23 236.631  27.937   1.538
  135   1HG2  THR  23          1HG2      THR  23 236.072  31.390   2.369
  136   2HG2  THR  23          2HG2      THR  23 237.680  30.652   2.453
  137   3HG2  THR  23          3HG2      THR  23 236.645  30.383   1.031
  138    H    THR  24           H        THR  24 233.498  28.813   4.289
  139    HA   THR  24           HA       THR  24 233.590  27.432   6.846
  140    HB   THR  24           HB       THR  24 231.146  27.850   6.851
  141    HG1  THR  24           HG1      THR  24 231.644  29.295   4.471
  142   1HG2  THR  24          3HG2      THR  24 232.923  30.234   6.144
  143   2HG2  THR  24          1HG2      THR  24 231.321  30.328   6.885
  144   3HG2  THR  24          2HG2      THR  24 232.666  29.553   7.755
  145    H    CYS  25           H        CYS  25 231.174  26.684   4.488
  146    HA   CYS  25           HA       CYS  25 230.848  24.369   3.459
  147   1HB   CYS  25          1HB       CYS  25 231.333  23.490   6.326
  148   2HB   CYS  25          2HB       CYS  25 230.511  22.520   5.146
  149    H    GLN  26           H        GLN  26 229.073  26.244   3.416
  150    HA   GLN  26           HA       GLN  26 226.789  25.610   5.253
  151   1HB   GLN  26          1HB       GLN  26 228.103  27.606   5.793
  152   2HB   GLN  26          2HB       GLN  26 227.618  28.330   4.249
  153   1HG   GLN  26          1HG       GLN  26 225.283  28.400   4.939
  154   2HG   GLN  26          2HG       GLN  26 225.583  27.296   6.290
  155   1HE2  GLN  26          2HE2      GLN  26 227.320  30.784   7.242
  156   2HE2  GLN  26          1HE2      GLN  26 227.959  29.861   5.875
  157    H    VAL  27           H        VAL  27 224.771  25.489   4.530
  158    HA   VAL  27           HA       VAL  27 224.126  24.499   2.064
  159    HB   VAL  27           HB       VAL  27 222.301  25.798   4.066
  160   1HG1  VAL  27          1HG2      VAL  27 221.652  23.964   1.704
  161   2HG1  VAL  27          2HG2      VAL  27 220.529  24.399   3.008
  162   3HG1  VAL  27          3HG2      VAL  27 221.112  25.644   1.907
  163   1HG2  VAL  27          2HG1      VAL  27 223.649  23.844   4.909
  164   2HG2  VAL  27          3HG1      VAL  27 221.940  23.439   4.765
  165   3HG2  VAL  27          1HG1      VAL  27 223.084  22.883   3.535
  166    H    LEU  28           H        LEU  28 224.313  25.337   0.062
  167    HA   LEU  28           HA       LEU  28 222.945  27.962  -0.552
  168   1HB   LEU  28          1HB       LEU  28 224.452  26.245  -2.526
  169   2HB   LEU  28          2HB       LEU  28 223.930  27.924  -2.678
  170    HG   LEU  28           HG       LEU  28 226.179  26.780  -1.003
  171   1HD1  LEU  28          1HD2      LEU  28 226.538  27.079  -3.475
  172   2HD1  LEU  28          2HD2      LEU  28 226.088  28.792  -3.316
  173   3HD1  LEU  28          3HD2      LEU  28 227.555  28.192  -2.534
  174   1HD2  LEU  28          1HD1      LEU  28 225.303  29.702  -1.122
  175   2HD2  LEU  28          2HD1      LEU  28 225.186  28.645   0.305
  176   3HD2  LEU  28          3HD1      LEU  28 226.770  29.041  -0.363
  177    H    ASN  29           H        ASN  29 222.918  24.514  -1.287
  178    HA   ASN  29           HA       ASN  29 220.256  24.482  -2.542
  179   1HB   ASN  29          1HB       ASN  29 221.288  23.691  -4.751
  180   2HB   ASN  29          2HB       ASN  29 221.600  25.369  -4.363
  181   1HD2  ASN  29          2HD2      ASN  29 225.034  24.648  -4.918
  182   2HD2  ASN  29          1HD2      ASN  29 223.711  25.785  -5.170
  183    HA   PRO  30           HA       PRO  30 220.457  20.256  -1.129
  184   1HB   PRO  30          1HB       PRO  30 219.013  18.756  -2.890
  185   2HB   PRO  30          2HB       PRO  30 218.286  20.065  -1.933
  186   1HG   PRO  30          1HG       PRO  30 219.387  20.309  -4.753
  187   2HG   PRO  30          2HG       PRO  30 217.727  20.686  -4.211
  188   1HD   PRO  30          2HD       PRO  30 219.508  22.659  -4.339
  189   2HD   PRO  30          1HD       PRO  30 218.495  22.544  -2.883
  190    H    TYR  31           H        TYR  31 222.807  21.127  -2.882
  191    HA   TYR  31           HA       TYR  31 223.971  18.415  -3.369
  192   1HB   TYR  31          2HB       TYR  31 224.663  20.930  -4.977
  193   2HB   TYR  31          1HB       TYR  31 225.384  19.345  -5.103
  194    HD1  TYR  31           HD2      TYR  31 222.107  21.179  -5.455
  195    HD2  TYR  31           HD1      TYR  31 224.656  18.015  -6.907
  196    HE1  TYR  31           HE2      TYR  31 220.464  20.679  -7.252
  197    HE2  TYR  31           HE1      TYR  31 223.026  17.562  -8.741
  198    HH   TYR  31           HH       TYR  31 219.928  19.311  -8.955
  199    H    ALA  32           H        ALA  32 224.964  21.795  -3.187
  200    HA   ALA  32           HA       ALA  32 227.241  21.216  -1.398
  201   1HB   ALA  32          2HB       ALA  32 227.647  22.281  -3.553
  202   2HB   ALA  32          3HB       ALA  32 226.620  23.652  -3.089
  203   3HB   ALA  32          1HB       ALA  32 228.110  23.309  -2.186
  204    H    SER  33           H        SER  33 226.671  21.224   0.643
  205    HA   SER  33           HA       SER  33 226.066  23.897   1.781
  206   1HB   SER  33          1HB       SER  33 225.443  21.901   3.145
  207   2HB   SER  33          2HB       SER  33 227.169  21.522   3.311
  208    HG   SER  33           HG       SER  33 227.332  23.244   4.655
  209    H    GLN  34           H        GLN  34 227.501  25.309   1.130
  210    HA   GLN  34           HA       GLN  34 229.940  24.334  -0.147
  211   1HB   GLN  34          1HB       GLN  34 228.100  25.619  -1.302
  212   2HB   GLN  34          2HB       GLN  34 228.521  27.015  -0.311
  213   1HG   GLN  34          1HG       GLN  34 229.643  27.475  -2.273
  214   2HG   GLN  34          2HG       GLN  34 230.912  26.733  -1.324
  215   1HE2  GLN  34          2HE2      GLN  34 230.411  25.242  -4.871
  216   2HE2  GLN  34          1HE2      GLN  34 230.015  26.901  -4.425
  217    H    CYS  35           H        CYS  35 232.059  24.912   0.434
  218    HA   CYS  35           HA       CYS  35 232.641  26.669   2.671
  219   1HB   CYS  35          2HB       CYS  35 234.500  25.612   0.511
  220   2HB   CYS  35          1HB       CYS  35 234.952  26.601   1.893
  221    H    LEU  36           H        LEU  36 231.168  28.367   2.114
  222    HA   LEU  36           HA       LEU  36 232.180  30.614   0.494
  223   1HB   LEU  36          1HB       LEU  36 230.209  30.457   2.834
  224   2HB   LEU  36          2HB       LEU  36 230.518  31.884   1.843
  225    HG   LEU  36           HG       LEU  36 229.258  29.278   0.842
  226   1HD1  LEU  36          1HD2      LEU  36 228.156  32.020   1.625
  227   2HD1  LEU  36          2HD2      LEU  36 227.219  30.820   0.736
  228   3HD1  LEU  36          3HD2      LEU  36 227.791  30.452   2.373
  229   1HD2  LEU  36          1HD1      LEU  36 229.903  31.930  -0.526
  230   2HD2  LEU  36          2HD1      LEU  36 230.451  30.306  -0.997
  231   3HD2  LEU  36          3HD1      LEU  36 228.748  30.750  -1.185
   
  No H/Q in entry =         231
  Start of MODEL    5
    1   1H    THR   1          1H        THR   1 243.831  20.446  -0.015
    2   2H    THR   1          2H        THR   1 244.387  21.957   0.324
    3   3H    THR   1          3H        THR   1 244.456  20.799   1.488
    4    HA   THR   1           HA       THR   1 242.091  20.854   1.721
    5    HB   THR   1           HB       THR   1 241.791  23.406   2.201
    6    HG1  THR   1           HG1      THR   1 243.622  24.643   1.779
    7   1HG2  THR   1          1HG2      THR   1 244.401  22.181   3.257
    8   2HG2  THR   1          2HG2      THR   1 243.509  23.542   3.939
    9   3HG2  THR   1          3HG2      THR   1 242.790  21.932   3.948
   10    H    GLN   2           H        GLN   2 239.987  22.052   1.136
   11    HA   GLN   2           HA       GLN   2 239.670  22.408  -1.795
   12   1HB   GLN   2          2HB       GLN   2 238.097  20.990  -0.614
   13   2HB   GLN   2          1HB       GLN   2 237.702  22.294   0.506
   14   1HG   GLN   2          2HG       GLN   2 236.740  23.634  -1.349
   15   2HG   GLN   2          1HG       GLN   2 237.137  22.344  -2.495
   16   1HE2  GLN   2          2HE2      GLN   2 233.956  20.937  -1.790
   17   2HE2  GLN   2          1HE2      GLN   2 235.160  21.323  -3.029
   18    H    SER   3           H        SER   3 239.696  24.417  -2.701
   19    HA   SER   3           HA       SER   3 240.011  26.832  -1.073
   20   1HB   SER   3          1HB       SER   3 241.209  26.413  -3.254
   21   2HB   SER   3          2HB       SER   3 239.660  26.670  -4.090
   22    HG   SER   3           HG       SER   3 240.872  28.650  -3.889
   23    H    HIS   4           H        HIS   4 238.775  28.834  -2.083
   24    HA   HIS   4           HA       HIS   4 236.272  28.779  -0.811
   25   1HB   HIS   4          1HB       HIS   4 237.823  30.773  -1.204
   26   2HB   HIS   4          2HB       HIS   4 237.121  30.909  -2.817
   27    HD2  HIS   4           HD2      HIS   4 234.731  30.119   0.199
   28    HE1  HIS   4           HE1      HIS   4 234.527  34.265  -0.463
   29    HE2  HIS   4           HE2      HIS   4 233.610  32.300   0.934
   30    H    TYR   5           H        TYR   5 234.179  28.743  -1.436
   31    HA   TYR   5           HA       TYR   5 232.302  28.399  -2.514
   32   1HB   TYR   5          1HB       TYR   5 233.715  29.103  -5.101
   33   2HB   TYR   5          2HB       TYR   5 231.984  29.077  -4.849
   34    HD1  TYR   5           HD2      TYR   5 231.331  30.520  -2.495
   35    HD2  TYR   5           HD1      TYR   5 234.478  31.342  -5.348
   36    HE1  TYR   5           HE2      TYR   5 231.328  32.921  -1.831
   37    HE2  TYR   5           HE1      TYR   5 234.451  33.731  -4.673
   38    HH   TYR   5           HH       TYR   5 233.712  35.197  -3.123
   39    H    GLY   6           H        GLY   6 234.148  26.141  -2.146
   40   1HA   GLY   6          1HA       GLY   6 233.470  24.200  -4.286
   41   2HA   GLY   6          2HA       GLY   6 234.520  23.960  -2.902
   42    H    GLN   7           H        GLN   7 231.975  22.509  -4.147
   43    HA   GLN   7           HA       GLN   7 229.965  22.305  -2.141
   44   1HB   GLN   7          1HB       GLN   7 229.562  21.558  -4.343
   45   2HB   GLN   7          2HB       GLN   7 230.930  20.440  -4.336
   46   1HG   GLN   7          2HG       GLN   7 229.788  18.948  -2.770
   47   2HG   GLN   7          1HG       GLN   7 228.442  20.083  -2.602
   48   1HE2  GLN   7          2HE2      GLN   7 227.482  17.426  -5.072
   49   2HE2  GLN   7          1HE2      GLN   7 227.973  17.373  -3.381
   50    H    CYS   8           H        CYS   8 230.011  21.511  -0.086
   51    HA   CYS   8           HA       CYS   8 231.592  19.050   0.550
   52   1HB   CYS   8          1HB       CYS   8 230.601  20.850   2.729
   53   2HB   CYS   8          2HB       CYS   8 232.005  19.801   2.677
   54    H    GLY   9           H        GLY   9 229.275  18.679  -0.810
   55   1HA   GLY   9          1HA       GLY   9 227.271  17.685   1.165
   56   2HA   GLY   9          2HA       GLY   9 226.761  18.895  -0.019
   57    H    GLY  10           H        GLY  10 225.451  16.552   0.149
   58   1HA   GLY  10          1HA       GLY  10 226.859  14.269  -0.608
   59   2HA   GLY  10          2HA       GLY  10 225.135  14.351  -0.315
   60    H    ILE  11           H        ILE  11 224.295  15.837  -2.614
   61    HA   ILE  11           HA       ILE  11 223.715  13.658  -4.255
   62    HB   ILE  11           HB       ILE  11 223.590  16.572  -5.064
   63   1HG1  ILE  11          2HG1      ILE  11 221.523  14.755  -3.725
   64   2HG1  ILE  11          1HG1      ILE  11 222.351  16.126  -2.982
   65   1HG2  ILE  11          2HG2      ILE  11 223.407  15.088  -7.041
   66   2HG2  ILE  11          3HG2      ILE  11 222.143  14.146  -6.229
   67   3HG2  ILE  11          1HG2      ILE  11 221.864  15.835  -6.692
   68   1HD1  ILE  11          1HD1      ILE  11 221.301  17.647  -4.690
   69   2HD1  ILE  11          2HD1      ILE  11 220.285  16.279  -5.199
   70   3HD1  ILE  11          3HD1      ILE  11 220.186  16.881  -3.541
   71    H    GLY  12           H        GLY  12 224.854  12.489  -5.687
   72   1HA   GLY  12          1HA       GLY  12 226.496  11.761  -7.134
   73   2HA   GLY  12          2HA       GLY  12 226.534  13.400  -7.787
   74    H    TYR  13           H        TYR  13 227.402  12.578  -4.426
   75    HA   TYR  13           HA       TYR  13 230.241  13.297  -4.996
   76   1HB   TYR  13          1HB       TYR  13 228.391  15.093  -4.218
   77   2HB   TYR  13          2HB       TYR  13 228.724  14.404  -2.644
   78    HD1  TYR  13           HD1      TYR  13 230.569  15.600  -5.714
   79    HD2  TYR  13           HD2      TYR  13 230.311  15.697  -1.400
   80    HE1  TYR  13           HE1      TYR  13 232.469  17.216  -5.624
   81    HE2  TYR  13           HE2      TYR  13 232.095  17.402  -1.340
   82    HH   TYR  13           HH       TYR  13 233.298  18.859  -2.638
   83    H    SER  14           H        SER  14 231.407  13.479  -2.809
   84    HA   SER  14           HA       SER  14 231.046  11.525  -0.758
   85   1HB   SER  14          2HB       SER  14 232.951  10.739  -3.007
   86   2HB   SER  14          1HB       SER  14 233.250  10.210  -1.341
   87    HG   SER  14           HG       SER  14 230.729   9.793  -2.538
   88    H    GLY  15           H        GLY  15 233.768  13.031  -2.501
   89   1HA   GLY  15          1HA       GLY  15 235.122  14.831  -1.990
   90   2HA   GLY  15          2HA       GLY  15 233.669  15.359  -1.207
   91    HA   PRO  16           HA       PRO  16 236.765  14.291   2.395
   92   1HB   PRO  16          1HB       PRO  16 239.405  14.127   1.772
   93   2HB   PRO  16          2HB       PRO  16 238.318  12.717   1.672
   94   1HG   PRO  16          1HG       PRO  16 239.082  14.593  -0.596
   95   2HG   PRO  16          2HG       PRO  16 239.267  12.817  -0.568
   96   1HD   PRO  16          2HD       PRO  16 237.106  13.942  -1.707
   97   2HD   PRO  16          1HD       PRO  16 236.885  12.496  -0.684
   98    H    THR  17           H        THR  17 235.677  16.411   2.148
   99    HA   THR  17           HA       THR  17 237.043  18.622   0.836
  100    HB   THR  17           HB       THR  17 234.768  19.761   1.478
  101    HG1  THR  17           HG1      THR  17 234.019  17.023   1.719
  102   1HG2  THR  17          1HG2      THR  17 234.956  17.348  -0.378
  103   2HG2  THR  17          2HG2      THR  17 233.708  18.600  -0.399
  104   3HG2  THR  17          3HG2      THR  17 235.383  19.016  -0.783
  105    H    VAL  18           H        VAL  18 238.756  18.300   2.622
  106    HA   VAL  18           HA       VAL  18 238.419  19.955   4.995
  107    HB   VAL  18           HB       VAL  18 241.023  19.249   3.596
  108   1HG1  VAL  18          3HG2      VAL  18 241.146  21.104   5.329
  109   2HG1  VAL  18          1HG2      VAL  18 240.445  19.993   6.508
  110   3HG1  VAL  18          2HG2      VAL  18 242.030  19.644   5.796
  111   1HG2  VAL  18          1HG1      VAL  18 239.508  17.768   5.798
  112   2HG2  VAL  18          2HG1      VAL  18 239.798  17.172   4.151
  113   3HG2  VAL  18          3HG1      VAL  18 241.158  17.400   5.257
  114    H    CYS  19           H        CYS  19 237.231  21.680   4.007
  115    HA   CYS  19           HA       CYS  19 238.033  23.645   2.229
  116   1HB   CYS  19          1HB       CYS  19 235.824  23.400   3.222
  117   2HB   CYS  19          2HB       CYS  19 236.438  23.897   4.800
  118    H    ALA  20           H        ALA  20 238.961  25.758   2.410
  119    HA   ALA  20           HA       ALA  20 241.353  26.032   4.012
  120   1HB   ALA  20          2HB       ALA  20 241.163  27.013   1.799
  121   2HB   ALA  20          3HB       ALA  20 239.844  28.071   2.345
  122   3HB   ALA  20          1HB       ALA  20 241.476  28.269   3.009
  123    H    SER  21           H        SER  21 240.274  25.515   6.045
  124    HA   SER  21           HA       SER  21 238.484  26.555   7.593
  125   1HB   SER  21          1HB       SER  21 240.178  24.897   8.298
  126   2HB   SER  21          2HB       SER  21 241.295  26.220   8.683
  127    HG   SER  21           HG       SER  21 238.679  25.952   9.818
  128    H    GLY  22           H        GLY  22 237.717  28.500   7.511
  129   1HA   GLY  22          1HA       GLY  22 238.310  30.993   8.537
  130   2HA   GLY  22          2HA       GLY  22 239.367  30.869   7.116
  131    H    THR  23           H        THR  23 238.094  29.627   5.260
  132    HA   THR  23           HA       THR  23 235.217  30.414   5.031
  133    HB   THR  23           HB       THR  23 235.238  29.344   2.834
  134    HG1  THR  23           HG1      THR  23 237.355  28.870   1.960
  135   1HG2  THR  23          2HG2      THR  23 237.475  31.390   3.200
  136   2HG2  THR  23          3HG2      THR  23 236.726  30.978   1.657
  137   3HG2  THR  23          1HG2      THR  23 235.755  31.736   2.930
  138    H    THR  24           H        THR  24 233.795  28.531   4.539
  139    HA   THR  24           HA       THR  24 234.115  26.757   6.903
  140    HB   THR  24           HB       THR  24 231.697  27.068   7.138
  141    HG1  THR  24           HG1      THR  24 232.009  28.872   4.945
  142   1HG2  THR  24          2HG2      THR  24 233.396  28.698   8.130
  143   2HG2  THR  24          3HG2      THR  24 233.104  29.751   6.743
  144   3HG2  THR  24          1HG2      THR  24 231.778  29.363   7.852
  145    H    CYS  25           H        CYS  25 231.485  26.368   4.699
  146    HA   CYS  25           HA       CYS  25 231.101  24.224   3.336
  147   1HB   CYS  25          1HB       CYS  25 232.066  22.944   5.881
  148   2HB   CYS  25          2HB       CYS  25 231.078  22.117   4.696
  149    H    GLN  26           H        GLN  26 229.256  25.891   3.629
  150    HA   GLN  26           HA       GLN  26 227.080  24.736   5.343
  151   1HB   GLN  26          1HB       GLN  26 226.475  26.866   6.198
  152   2HB   GLN  26          2HB       GLN  26 228.155  26.487   6.577
  153   1HG   GLN  26          2HG       GLN  26 228.818  27.944   4.575
  154   2HG   GLN  26          1HG       GLN  26 227.116  28.428   4.471
  155   1HE2  GLN  26          2HE2      GLN  26 229.453  30.324   7.088
  156   2HE2  GLN  26          1HE2      GLN  26 230.106  29.207   5.891
  157    H    VAL  27           H        VAL  27 224.922  25.407   4.882
  158    HA   VAL  27           HA       VAL  27 224.165  24.444   2.432
  159    HB   VAL  27           HB       VAL  27 222.443  26.070   4.309
  160   1HG1  VAL  27          1HG2      VAL  27 221.731  24.027   2.147
  161   2HG1  VAL  27          2HG2      VAL  27 220.609  24.630   3.380
  162   3HG1  VAL  27          3HG2      VAL  27 221.265  25.742   2.181
  163   1HG2  VAL  27          1HG1      VAL  27 223.094  23.082   4.209
  164   2HG2  VAL  27          2HG1      VAL  27 223.513  24.202   5.520
  165   3HG2  VAL  27          3HG1      VAL  27 221.827  23.815   5.210
  166    H    LEU  28           H        LEU  28 224.544  25.269   0.429
  167    HA   LEU  28           HA       LEU  28 223.273  27.844  -0.398
  168   1HB   LEU  28          1HB       LEU  28 224.268  25.582  -2.180
  169   2HB   LEU  28          2HB       LEU  28 223.826  27.228  -2.635
  170    HG   LEU  28           HG       LEU  28 226.250  26.326  -1.046
  171   1HD1  LEU  28          2HD1      LEU  28 226.275  25.803  -3.475
  172   2HD1  LEU  28          3HD1      LEU  28 225.866  27.491  -3.859
  173   3HD1  LEU  28          1HD1      LEU  28 227.410  27.100  -3.122
  174   1HD2  LEU  28          2HD2      LEU  28 225.478  29.152  -1.932
  175   2HD2  LEU  28          3HD2      LEU  28 225.549  28.563  -0.253
  176   3HD2  LEU  28          1HD2      LEU  28 227.025  28.667  -1.215
  177    H    ASN  29           H        ASN  29 222.869  24.345  -0.922
  178    HA   ASN  29           HA       ASN  29 220.004  24.406  -1.471
  179   1HB   ASN  29          1HB       ASN  29 220.206  24.207  -3.932
  180   2HB   ASN  29          2HB       ASN  29 221.023  25.643  -3.409
  181   1HD2  ASN  29          1HD2      ASN  29 223.923  24.575  -5.117
  182   2HD2  ASN  29          2HD2      ASN  29 222.898  25.921  -4.624
  183    HA   PRO  30           HA       PRO  30 219.913  20.044  -1.039
  184   1HB   PRO  30          2HB       PRO  30 219.422  19.583  -3.995
  185   2HB   PRO  30          1HB       PRO  30 218.604  18.830  -2.598
  186   1HG   PRO  30          2HG       PRO  30 217.407  20.886  -3.863
  187   2HG   PRO  30          1HG       PRO  30 217.475  20.910  -2.073
  188   1HD   PRO  30          2HD       PRO  30 219.308  22.281  -4.046
  189   2HD   PRO  30          1HD       PRO  30 218.491  23.006  -2.622
  190    H    TYR  31           H        TYR  31 221.908  20.758  -3.955
  191    HA   TYR  31           HA       TYR  31 223.572  18.381  -3.732
  192   1HB   TYR  31          2HB       TYR  31 224.135  21.035  -5.125
  193   2HB   TYR  31          1HB       TYR  31 225.048  19.557  -5.306
  194    HD1  TYR  31           HD2      TYR  31 221.754  21.172  -6.019
  195    HD2  TYR  31           HD1      TYR  31 224.444  17.916  -6.943
  196    HE1  TYR  31           HE2      TYR  31 220.345  20.555  -7.972
  197    HE2  TYR  31           HE1      TYR  31 223.060  17.363  -8.943
  198    HH   TYR  31           HH       TYR  31 220.087  19.154  -9.733
  199    H    ALA  32           H        ALA  32 223.820  21.694  -2.554
  200    HA   ALA  32           HA       ALA  32 226.661  21.222  -1.689
  201   1HB   ALA  32          3HB       ALA  32 225.392  23.522  -3.193
  202   2HB   ALA  32          1HB       ALA  32 227.074  23.462  -2.636
  203   3HB   ALA  32          2HB       ALA  32 226.491  22.293  -3.831
  204    H    SER  33           H        SER  33 226.273  20.984   0.514
  205    HA   SER  33           HA       SER  33 226.092  23.574   1.981
  206   1HB   SER  33          1HB       SER  33 225.497  21.485   3.169
  207   2HB   SER  33          2HB       SER  33 227.166  20.907   2.997
  208    HG   SER  33           HG       SER  33 227.767  22.482   4.482
  209    H    GLN  34           H        GLN  34 227.633  24.973   1.260
  210    HA   GLN  34           HA       GLN  34 230.011  23.890  -0.129
  211   1HB   GLN  34          1HB       GLN  34 228.201  25.193  -1.301
  212   2HB   GLN  34          2HB       GLN  34 228.653  26.585  -0.312
  213   1HG   GLN  34          1HG       GLN  34 231.082  26.133  -1.404
  214   2HG   GLN  34          2HG       GLN  34 230.127  25.226  -2.584
  215   1HE2  GLN  34          2HE2      GLN  34 229.829  28.362  -4.237
  216   2HE2  GLN  34          1HE2      GLN  34 230.519  26.743  -4.351
  217    H    CYS  35           H        CYS  35 232.063  24.542   0.248
  218    HA   CYS  35           HA       CYS  35 233.118  25.904   2.501
  219   1HB   CYS  35          1HB       CYS  35 234.264  24.239   1.122
  220   2HB   CYS  35          2HB       CYS  35 234.234  25.324  -0.261
  221    H    LEU  36           H        LEU  36 231.519  27.674   2.442
  222    HA   LEU  36           HA       LEU  36 231.997  30.106   0.839
  223   1HB   LEU  36          1HB       LEU  36 230.136  29.273   3.100
  224   2HB   LEU  36          2HB       LEU  36 230.242  30.944   2.592
  225    HG   LEU  36           HG       LEU  36 229.471  28.725   0.665
  226   1HD1  LEU  36          1HD2      LEU  36 227.801  30.530   2.479
  227   2HD1  LEU  36          2HD2      LEU  36 227.128  29.728   1.055
  228   3HD1  LEU  36          3HD2      LEU  36 227.780  28.754   2.378
  229   1HD2  LEU  36          2HD1      LEU  36 230.301  30.884  -0.362
  230   2HD2  LEU  36          3HD1      LEU  36 228.583  30.597  -0.671
  231   3HD2  LEU  36          1HD1      LEU  36 229.072  31.762   0.573
   
  No H/Q in entry =         231
  Start of MODEL    6
    1   1H    THR   1          3H        THR   1 245.436  22.910   0.147
    2   2H    THR   1          1H        THR   1 245.077  23.539   1.627
    3   3H    THR   1          2H        THR   1 245.310  21.915   1.482
    4    HA   THR   1           HA       THR   1 243.257  21.698   0.315
    5    HB   THR   1           HB       THR   1 241.662  22.926   1.977
    6    HG1  THR   1           HG1      THR   1 242.720  23.937   3.674
    7   1HG2  THR   1          3HG2      THR   1 243.876  21.217   3.226
    8   2HG2  THR   1          1HG2      THR   1 242.288  21.577   3.911
    9   3HG2  THR   1          2HG2      THR   1 242.398  20.618   2.442
   10    H    GLN   2           H        GLN   2 241.132  22.811  -0.397
   11    HA   GLN   2           HA       GLN   2 241.764  25.245  -1.973
   12   1HB   GLN   2          1HB       GLN   2 239.922  24.761  -3.281
   13   2HB   GLN   2          2HB       GLN   2 240.615  23.194  -2.925
   14   1HG   GLN   2          2HG       GLN   2 238.279  22.891  -2.731
   15   2HG   GLN   2          1HG       GLN   2 238.846  22.951  -1.064
   16   1HE2  GLN   2          2HE2      GLN   2 236.548  25.586  -0.498
   17   2HE2  GLN   2          1HE2      GLN   2 237.169  24.054   0.116
   18    H    SER   3           H        SER   3 240.046  27.014  -1.989
   19    HA   SER   3           HA       SER   3 239.165  27.686   0.824
   20   1HB   SER   3          1HB       SER   3 241.063  29.014   0.322
   21   2HB   SER   3          2HB       SER   3 240.450  29.455  -1.284
   22    HG   SER   3           HG       SER   3 240.067  31.080   0.417
   23    H    HIS   4           H        HIS   4 238.309  29.917  -1.566
   24    HA   HIS   4           HA       HIS   4 235.572  29.664  -1.089
   25   1HB   HIS   4          1HB       HIS   4 237.071  31.645  -1.926
   26   2HB   HIS   4          2HB       HIS   4 236.682  31.073  -3.546
   27    HD2  HIS   4           HD2      HIS   4 233.479  30.623  -1.711
   28    HE1  HIS   4           HE1      HIS   4 233.621  34.787  -2.463
   29    HE2  HIS   4           HE2      HIS   4 232.140  32.887  -1.647
   30    H    TYR   5           H        TYR   5 234.101  28.298  -1.828
   31    HA   TYR   5           HA       TYR   5 232.651  27.256  -3.205
   32   1HB   TYR   5          2HB       TYR   5 234.488  27.634  -5.575
   33   2HB   TYR   5          1HB       TYR   5 232.791  27.233  -5.595
   34    HD1  TYR   5           HD1      TYR   5 231.129  28.968  -4.477
   35    HD2  TYR   5           HD2      TYR   5 235.108  29.932  -5.860
   36    HE1  TYR   5           HE1      TYR   5 230.540  31.396  -4.520
   37    HE2  TYR   5           HE2      TYR   5 234.528  32.348  -5.817
   38    HH   TYR   5           HH       TYR   5 233.007  33.865  -5.169
   39    H    GLY   6           H        GLY   6 233.644  25.629  -1.631
   40   1HA   GLY   6          2HA       GLY   6 234.319  23.095  -3.141
   41   2HA   GLY   6          1HA       GLY   6 234.807  23.419  -1.482
   42    H    GLN   7           H        GLN   7 233.022  21.259  -2.828
   43    HA   GLN   7           HA       GLN   7 230.379  21.651  -1.633
   44   1HB   GLN   7          1HB       GLN   7 230.479  20.662  -3.787
   45   2HB   GLN   7          2HB       GLN   7 231.558  19.375  -3.241
   46   1HG   GLN   7          2HG       GLN   7 229.813  18.384  -1.852
   47   2HG   GLN   7          1HG       GLN   7 228.749  19.771  -2.095
   48   1HE2  GLN   7          2HE2      GLN   7 227.302  17.269  -4.269
   49   2HE2  GLN   7          1HE2      GLN   7 227.295  17.779  -2.587
   50    H    CYS   8           H        CYS   8 229.991  21.316   0.488
   51    HA   CYS   8           HA       CYS   8 231.002  18.825   1.821
   52   1HB   CYS   8          1HB       CYS   8 230.108  21.233   3.375
   53   2HB   CYS   8          2HB       CYS   8 231.219  19.949   3.834
   54    H    GLY   9           H        GLY   9 228.971  18.256   0.304
   55   1HA   GLY   9          1HA       GLY   9 226.657  17.831   2.044
   56   2HA   GLY   9          2HA       GLY   9 226.352  18.981   0.736
   57    H    GLY  10           H        GLY  10 224.858  16.752   0.930
   58   1HA   GLY  10          1HA       GLY  10 225.828  14.272   0.254
   59   2HA   GLY  10          2HA       GLY  10 224.148  14.747   0.105
   60    H    ILE  11           H        ILE  11 223.790  16.125  -2.138
   61    HA   ILE  11           HA       ILE  11 223.739  13.893  -3.849
   62    HB   ILE  11           HB       ILE  11 223.032  16.739  -4.565
   63   1HG1  ILE  11          1HG1      ILE  11 221.376  14.350  -3.622
   64   2HG1  ILE  11          2HG1      ILE  11 221.760  15.786  -2.666
   65   1HG2  ILE  11          2HG2      ILE  11 223.477  15.339  -6.607
   66   2HG2  ILE  11          3HG2      ILE  11 222.320  14.142  -6.001
   67   3HG2  ILE  11          1HG2      ILE  11 221.789  15.779  -6.439
   68   1HD1  ILE  11          2HD1      ILE  11 220.557  17.182  -4.404
   69   2HD1  ILE  11          3HD1      ILE  11 219.967  15.661  -5.119
   70   3HD1  ILE  11          1HD1      ILE  11 219.538  16.079  -3.455
   71    H    GLY  12           H        GLY  12 225.171  12.967  -5.024
   72   1HA   GLY  12          1HA       GLY  12 226.756  12.690  -6.753
   73   2HA   GLY  12          2HA       GLY  12 227.224  14.379  -6.649
   74    H    TYR  13           H        TYR  13 227.344  13.535  -3.470
   75    HA   TYR  13           HA       TYR  13 230.281  13.549  -3.828
   76   1HB   TYR  13          1HB       TYR  13 228.714  15.477  -2.987
   77   2HB   TYR  13          2HB       TYR  13 228.855  14.676  -1.445
   78    HD1  TYR  13           HD1      TYR  13 230.725  16.193  -4.295
   79    HD2  TYR  13           HD2      TYR  13 230.996  14.882  -0.185
   80    HE1  TYR  13           HE1      TYR  13 232.974  17.226  -4.115
   81    HE2  TYR  13           HE2      TYR  13 233.234  15.981  -0.003
   82    HH   TYR  13           HH       TYR  13 234.685  17.734  -2.736
   83    H    SER  14           H        SER  14 230.368  11.150  -3.759
   84    HA   SER  14           HA       SER  14 230.971  10.065  -1.054
   85   1HB   SER  14          2HB       SER  14 232.102   8.283  -2.387
   86   2HB   SER  14          1HB       SER  14 230.416   8.519  -2.868
   87    HG   SER  14           HG       SER  14 232.037   8.442  -4.631
   88    H    GLY  15           H        GLY  15 232.085  12.762  -1.741
   89   1HA   GLY  15          1HA       GLY  15 234.898  12.274  -2.516
   90   2HA   GLY  15          2HA       GLY  15 234.019  13.791  -2.597
   91    HA   PRO  16           HA       PRO  16 236.531  13.813   1.390
   92   1HB   PRO  16          1HB       PRO  16 239.058  14.465   0.747
   93   2HB   PRO  16          2HB       PRO  16 238.461  12.798   0.561
   94   1HG   PRO  16          2HG       PRO  16 238.663  14.909  -1.620
   95   2HG   PRO  16          1HG       PRO  16 239.268  13.235  -1.664
   96   1HD   PRO  16          1HD       PRO  16 236.808  14.004  -2.683
   97   2HD   PRO  16          2HD       PRO  16 237.116  12.375  -2.012
   98    H    THR  17           H        THR  17 235.955  15.705   2.401
   99    HA   THR  17           HA       THR  17 235.626  18.240   1.024
  100    HB   THR  17           HB       THR  17 235.017  19.066   3.305
  101    HG1  THR  17           HG1      THR  17 234.878  17.485   4.939
  102   1HG2  THR  17          2HG2      THR  17 233.365  17.955   1.731
  103   2HG2  THR  17          3HG2      THR  17 233.636  16.437   2.605
  104   3HG2  THR  17          1HG2      THR  17 232.949  17.836   3.453
  105    H    VAL  18           H        VAL  18 238.022  18.031   0.343
  106    HA   VAL  18           HA       VAL  18 240.080  18.821   2.215
  107    HB   VAL  18           HB       VAL  18 240.230  18.838  -0.820
  108   1HG1  VAL  18          1HG2      VAL  18 242.369  18.521   1.345
  109   2HG1  VAL  18          2HG2      VAL  18 242.640  18.213  -0.378
  110   3HG1  VAL  18          3HG2      VAL  18 242.241  19.830   0.149
  111   1HG2  VAL  18          1HG1      VAL  18 240.709  16.531   1.124
  112   2HG2  VAL  18          2HG1      VAL  18 239.449  16.623  -0.117
  113   3HG2  VAL  18          3HG1      VAL  18 241.122  16.517  -0.604
  114    H    CYS  19           H        CYS  19 238.414  20.720   2.802
  115    HA   CYS  19           HA       CYS  19 238.909  23.253   1.336
  116   1HB   CYS  19          1HB       CYS  19 236.608  22.565   1.641
  117   2HB   CYS  19          2HB       CYS  19 236.841  22.386   3.382
  118    H    ALA  20           H        ALA  20 239.331  25.254   2.462
  119    HA   ALA  20           HA       ALA  20 241.023  25.066   4.899
  120   1HB   ALA  20          2HB       ALA  20 241.967  26.128   2.913
  121   2HB   ALA  20          3HB       ALA  20 240.648  27.316   2.900
  122   3HB   ALA  20          1HB       ALA  20 241.797  27.276   4.251
  123    H    SER  21           H        SER  21 239.795  25.095   6.693
  124    HA   SER  21           HA       SER  21 237.518  26.511   7.437
  125   1HB   SER  21          1HB       SER  21 238.584  24.848   8.858
  126   2HB   SER  21          2HB       SER  21 239.989  25.906   9.114
  127    HG   SER  21           HG       SER  21 238.567  27.378  10.182
  128    H    GLY  22           H        GLY  22 237.050  28.563   7.382
  129   1HA   GLY  22          1HA       GLY  22 238.000  31.008   8.109
  130   2HA   GLY  22          2HA       GLY  22 239.070  30.615   6.749
  131    H    THR  23           H        THR  23 237.689  29.342   5.003
  132    HA   THR  23           HA       THR  23 234.987  30.473   4.473
  133    HB   THR  23           HB       THR  23 234.860  28.928   2.616
  134    HG1  THR  23           HG1      THR  23 237.314  27.941   3.658
  135   1HG2  THR  23          2HG2      THR  23 236.131  31.089   2.317
  136   2HG2  THR  23          3HG2      THR  23 237.635  30.166   2.522
  137   3HG2  THR  23          1HG2      THR  23 236.538  29.801   1.175
  138    H    THR  24           H        THR  24 233.188  28.938   4.537
  139    HA   THR  24           HA       THR  24 233.283  27.468   7.091
  140    HB   THR  24           HB       THR  24 230.870  27.711   7.109
  141    HG1  THR  24           HG1      THR  24 231.169  29.157   4.688
  142   1HG2  THR  24          1HG2      THR  24 232.297  30.319   6.383
  143   2HG2  THR  24          2HG2      THR  24 230.744  30.171   7.216
  144   3HG2  THR  24          3HG2      THR  24 232.224  29.577   7.992
  145    H    CYS  25           H        CYS  25 231.000  26.717   4.631
  146    HA   CYS  25           HA       CYS  25 230.757  24.424   3.540
  147   1HB   CYS  25          1HB       CYS  25 231.426  23.536   6.369
  148   2HB   CYS  25          2HB       CYS  25 230.530  22.547   5.252
  149    H    GLN  26           H        GLN  26 229.024  26.312   3.632
  150    HA   GLN  26           HA       GLN  26 226.838  25.749   5.597
  151   1HB   GLN  26          1HB       GLN  26 228.185  27.745   5.883
  152   2HB   GLN  26          2HB       GLN  26 227.702  28.343   4.284
  153   1HG   GLN  26          1HG       GLN  26 225.384  28.599   5.038
  154   2HG   GLN  26          2HG       GLN  26 225.720  27.690   6.521
  155   1HE2  GLN  26          2HE2      GLN  26 227.733  31.113   6.958
  156   2HE2  GLN  26          1HE2      GLN  26 228.321  29.870   5.849
  157    H    VAL  27           H        VAL  27 224.719  25.711   5.041
  158    HA   VAL  27           HA       VAL  27 223.898  24.492   2.737
  159    HB   VAL  27           HB       VAL  27 222.203  26.112   4.636
  160   1HG1  VAL  27          1HG2      VAL  27 221.399  23.990   2.592
  161   2HG1  VAL  27          2HG2      VAL  27 220.350  24.621   3.877
  162   3HG1  VAL  27          3HG2      VAL  27 220.898  25.691   2.592
  163   1HG2  VAL  27          1HG1      VAL  27 223.526  24.254   5.711
  164   2HG2  VAL  27          2HG1      VAL  27 221.796  23.914   5.700
  165   3HG2  VAL  27          3HG1      VAL  27 222.859  23.127   4.521
  166    H    LEU  28           H        LEU  28 224.383  25.260   0.710
  167    HA   LEU  28           HA       LEU  28 223.057  27.807  -0.210
  168   1HB   LEU  28          1HB       LEU  28 225.264  26.131  -1.468
  169   2HB   LEU  28          2HB       LEU  28 224.468  27.513  -2.233
  170    HG   LEU  28           HG       LEU  28 226.310  27.549   0.168
  171   1HD1  LEU  28          2HD1      LEU  28 227.151  27.405  -2.243
  172   2HD1  LEU  28          3HD1      LEU  28 226.434  28.994  -2.526
  173   3HD1  LEU  28          1HD1      LEU  28 227.731  28.800  -1.328
  174   1HD2  LEU  28          2HD2      LEU  28 224.622  29.827  -0.983
  175   2HD2  LEU  28          3HD2      LEU  28 224.569  29.201   0.682
  176   3HD2  LEU  28          1HD2      LEU  28 226.002  30.051   0.111
  177    H    ASN  29           H        ASN  29 223.453  24.368  -1.180
  178    HA   ASN  29           HA       ASN  29 220.990  24.524  -2.804
  179   1HB   ASN  29          1HB       ASN  29 222.212  24.115  -4.931
  180   2HB   ASN  29          2HB       ASN  29 222.677  25.628  -4.198
  181   1HD2  ASN  29          1HD2      ASN  29 226.092  24.645  -4.132
  182   2HD2  ASN  29          2HD2      ASN  29 224.933  25.963  -4.028
  183    HA   PRO  30           HA       PRO  30 220.288  20.314  -2.217
  184   1HB   PRO  30          2HB       PRO  30 220.447  19.728  -5.189
  185   2HB   PRO  30          1HB       PRO  30 219.197  19.235  -4.011
  186   1HG   PRO  30          1HG       PRO  30 218.725  21.338  -5.633
  187   2HG   PRO  30          2HG       PRO  30 218.327  21.482  -3.898
  188   1HD   PRO  30          2HD       PRO  30 220.792  22.475  -5.336
  189   2HD   PRO  30          1HD       PRO  30 219.739  23.352  -4.187
  190    H    TYR  31           H        TYR  31 223.010  20.745  -4.458
  191    HA   TYR  31           HA       TYR  31 224.373  18.252  -3.822
  192   1HB   TYR  31          2HB       TYR  31 225.656  20.734  -4.985
  193   2HB   TYR  31          1HB       TYR  31 226.099  19.060  -5.218
  194    HD1  TYR  31           HD2      TYR  31 224.376  17.530  -6.477
  195    HD2  TYR  31           HD1      TYR  31 224.275  21.842  -6.565
  196    HE1  TYR  31           HE2      TYR  31 222.698  17.465  -8.332
  197    HE2  TYR  31           HE1      TYR  31 222.658  21.766  -8.448
  198    HH   TYR  31           HH       TYR  31 221.570  20.446  -9.907
  199    H    ALA  32           H        ALA  32 224.896  21.647  -2.917
  200    HA   ALA  32           HA       ALA  32 226.876  20.807  -0.844
  201   1HB   ALA  32          2HB       ALA  32 227.771  21.824  -2.928
  202   2HB   ALA  32          3HB       ALA  32 226.918  23.320  -2.511
  203   3HB   ALA  32          1HB       ALA  32 228.184  22.682  -1.437
  204    H    SER  33           H        SER  33 226.196  21.079   1.085
  205    HA   SER  33           HA       SER  33 225.804  23.873   1.970
  206   1HB   SER  33          1HB       SER  33 225.093  21.983   3.492
  207   2HB   SER  33          2HB       SER  33 226.787  21.481   3.607
  208    HG   SER  33           HG       SER  33 227.158  23.235   4.866
  209    H    GLN  34           H        GLN  34 227.561  25.197   1.685
  210    HA   GLN  34           HA       GLN  34 229.895  23.918   0.330
  211   1HB   GLN  34          2HB       GLN  34 227.874  24.938  -0.953
  212   2HB   GLN  34          1HB       GLN  34 228.548  26.500  -0.495
  213   1HG   GLN  34          1HG       GLN  34 230.664  25.916  -1.709
  214   2HG   GLN  34          2HG       GLN  34 230.030  24.305  -2.042
  215   1HE2  GLN  34          2HE2      GLN  34 228.967  27.270  -4.517
  216   2HE2  GLN  34          1HE2      GLN  34 230.043  27.607  -3.158
  217    H    CYS  35           H        CYS  35 231.933  24.797   0.461
  218    HA   CYS  35           HA       CYS  35 232.599  26.722   2.545
  219   1HB   CYS  35          2HB       CYS  35 234.206  25.383   0.350
  220   2HB   CYS  35          1HB       CYS  35 234.865  26.625   1.416
  221    H    LEU  36           H        LEU  36 231.166  28.428   2.026
  222    HA   LEU  36           HA       LEU  36 232.654  30.507   0.482
  223   1HB   LEU  36          1HB       LEU  36 230.063  31.015   1.942
  224   2HB   LEU  36          2HB       LEU  36 230.913  32.036   0.786
  225    HG   LEU  36           HG       LEU  36 229.350  29.490   0.213
  226   1HD1  LEU  36          3HD2      LEU  36 227.997  31.514   0.669
  227   2HD1  LEU  36          1HD2      LEU  36 228.909  32.421  -0.551
  228   3HD1  LEU  36          2HD2      LEU  36 227.869  31.079  -1.042
  229   1HD2  LEU  36          2HD1      LEU  36 231.274  29.614  -1.371
  230   2HD2  LEU  36          3HD1      LEU  36 229.736  29.901  -2.183
  231   3HD2  LEU  36          1HD1      LEU  36 230.793  31.266  -1.809
   
  No H/Q in entry =         231
  Start of MODEL    7
    1   1H    THR   1          2H        THR   1 243.927  21.201  -0.463
    2   2H    THR   1          3H        THR   1 244.261  22.777  -0.141
    3   3H    THR   1          1H        THR   1 244.617  21.632   0.992
    4    HA   THR   1           HA       THR   1 242.293  21.306   1.418
    5    HB   THR   1           HB       THR   1 241.596  23.745   1.967
    6    HG1  THR   1           HG1      THR   1 243.172  25.296   1.455
    7   1HG2  THR   1          3HG2      THR   1 244.455  22.996   2.787
    8   2HG2  THR   1          1HG2      THR   1 243.393  24.172   3.576
    9   3HG2  THR   1          2HG2      THR   1 242.962  22.459   3.595
   10    H    GLN   2           H        GLN   2 239.980  22.111   0.971
   11    HA   GLN   2           HA       GLN   2 239.419  22.355  -1.916
   12   1HB   GLN   2          2HB       GLN   2 238.147  20.839  -0.488
   13   2HB   GLN   2          1HB       GLN   2 237.559  22.185   0.487
   14   1HG   GLN   2          1HG       GLN   2 236.375  23.126  -1.450
   15   2HG   GLN   2          2HG       GLN   2 237.026  21.853  -2.496
   16   1HE2  GLN   2          2HE2      GLN   2 233.648  20.986  -0.694
   17   2HE2  GLN   2          1HE2      GLN   2 234.216  22.661  -0.794
   18    H    SER   3           H        SER   3 239.374  24.318  -2.883
   19    HA   SER   3           HA       SER   3 239.844  26.775  -1.477
   20   1HB   SER   3          1HB       SER   3 240.638  26.357  -3.763
   21   2HB   SER   3          2HB       SER   3 238.972  26.298  -4.372
   22    HG   SER   3           HG       SER   3 238.794  28.476  -4.039
   23    H    HIS   4           H        HIS   4 238.595  28.787  -1.894
   24    HA   HIS   4           HA       HIS   4 235.994  28.841  -0.832
   25   1HB   HIS   4          1HB       HIS   4 237.689  30.783  -1.189
   26   2HB   HIS   4          2HB       HIS   4 237.082  30.871  -2.840
   27    HD2  HIS   4           HD2      HIS   4 234.510  30.267   0.019
   28    HE1  HIS   4           HE1      HIS   4 234.433  34.395  -0.822
   29    HE2  HIS   4           HE2      HIS   4 233.356  32.519   0.561
   30    H    TYR   5           H        TYR   5 233.989  28.518  -1.698
   31    HA   TYR   5           HA       TYR   5 232.314  27.979  -3.093
   32   1HB   TYR   5          1HB       TYR   5 233.932  28.792  -5.511
   33   2HB   TYR   5          2HB       TYR   5 232.201  28.580  -5.401
   34    HD1  TYR   5           HD2      TYR   5 230.827  30.190  -3.921
   35    HD2  TYR   5           HD1      TYR   5 234.917  30.937  -5.088
   36    HE1  TYR   5           HE2      TYR   5 230.619  32.565  -3.176
   37    HE2  TYR   5           HE1      TYR   5 234.680  33.304  -4.387
   38    HH   TYR   5           HH       TYR   5 233.398  34.780  -3.298
   39    H    GLY   6           H        GLY   6 232.782  25.838  -2.291
   40   1HA   GLY   6          2HA       GLY   6 233.323  23.845  -4.432
   41   2HA   GLY   6          1HA       GLY   6 234.393  23.810  -3.027
   42    H    GLN   7           H        GLN   7 232.390  21.796  -4.074
   43    HA   GLN   7           HA       GLN   7 230.058  21.819  -2.423
   44   1HB   GLN   7          1HB       GLN   7 230.096  20.893  -4.620
   45   2HB   GLN   7          2HB       GLN   7 231.268  19.647  -4.174
   46   1HG   GLN   7          2HG       GLN   7 229.672  18.456  -2.840
   47   2HG   GLN   7          1HG       GLN   7 228.576  19.841  -2.758
   48   1HE2  GLN   7          2HE2      GLN   7 226.923  17.643  -5.108
   49   2HE2  GLN   7          1HE2      GLN   7 227.237  17.659  -3.363
   50    H    CYS   8           H        CYS   8 229.635  21.078  -0.423
   51    HA   CYS   8           HA       CYS   8 231.165  18.784   0.699
   52   1HB   CYS   8          1HB       CYS   8 230.225  20.891   2.620
   53   2HB   CYS   8          2HB       CYS   8 231.572  19.772   2.721
   54    H    GLY   9           H        GLY   9 229.080  18.027  -0.624
   55   1HA   GLY   9          1HA       GLY   9 227.143  17.022   1.258
   56   2HA   GLY   9          2HA       GLY   9 226.470  18.393   0.369
   57    H    GLY  10           H        GLY  10 225.174  16.122   0.194
   58   1HA   GLY  10          1HA       GLY  10 225.878  13.846  -0.967
   59   2HA   GLY  10          2HA       GLY  10 224.256  14.486  -1.114
   60    H    ILE  11           H        ILE  11 223.891  15.932  -3.146
   61    HA   ILE  11           HA       ILE  11 224.124  14.031  -5.222
   62    HB   ILE  11           HB       ILE  11 223.130  16.881  -5.403
   63   1HG1  ILE  11          2HG1      ILE  11 221.810  14.184  -4.833
   64   2HG1  ILE  11          1HG1      ILE  11 221.886  15.588  -3.762
   65   1HG2  ILE  11          2HG2      ILE  11 223.719  15.960  -7.651
   66   2HG2  ILE  11          3HG2      ILE  11 222.727  14.531  -7.306
   67   3HG2  ILE  11          1HG2      ILE  11 221.989  16.142  -7.445
   68   1HD1  ILE  11          1HD1      ILE  11 220.487  16.842  -5.511
   69   2HD1  ILE  11          2HD1      ILE  11 220.214  15.267  -6.282
   70   3HD1  ILE  11          3HD1      ILE  11 219.675  15.541  -4.623
   71    H    GLY  12           H        GLY  12 226.111  13.498  -5.799
   72   1HA   GLY  12          2HA       GLY  12 227.677  13.590  -7.616
   73   2HA   GLY  12          1HA       GLY  12 227.712  15.346  -7.535
   74    H    TYR  13           H        TYR  13 227.943  13.767  -4.395
   75    HA   TYR  13           HA       TYR  13 230.916  13.906  -4.468
   76   1HB   TYR  13          1HB       TYR  13 229.330  16.007  -3.595
   77   2HB   TYR  13          2HB       TYR  13 229.602  15.143  -2.095
   78    HD1  TYR  13           HD2      TYR  13 231.447  16.297  -5.180
   79    HD2  TYR  13           HD1      TYR  13 231.463  16.064  -0.863
   80    HE1  TYR  13           HE2      TYR  13 233.660  17.439  -5.116
   81    HE2  TYR  13           HE1      TYR  13 233.651  17.276  -0.830
   82    HH   TYR  13           HH       TYR  13 235.151  18.487  -2.120
   83    H    SER  14           H        SER  14 231.988  13.325  -2.530
   84    HA   SER  14           HA       SER  14 230.779  11.120  -0.888
   85   1HB   SER  14          2HB       SER  14 232.002   9.861  -2.454
   86   2HB   SER  14          1HB       SER  14 233.332  11.014  -2.524
   87    HG   SER  14           HG       SER  14 232.710   9.331  -0.314
   88    H    GLY  15           H        GLY  15 233.934  12.768  -1.075
   89   1HA   GLY  15          2HA       GLY  15 233.718  15.016  -0.040
   90   2HA   GLY  15          1HA       GLY  15 233.210  14.256   1.441
   91    HA   PRO  16           HA       PRO  16 238.039  14.492   1.477
   92   1HB   PRO  16          1HB       PRO  16 238.594  16.033  -1.043
   93   2HB   PRO  16          2HB       PRO  16 239.513  14.700  -0.311
   94   1HG   PRO  16          1HG       PRO  16 238.006  14.353  -2.564
   95   2HG   PRO  16          2HG       PRO  16 238.052  13.088  -1.303
   96   1HD   PRO  16          2HD       PRO  16 235.947  15.263  -1.665
   97   2HD   PRO  16          1HD       PRO  16 235.731  13.498  -1.499
   98    H    THR  17           H        THR  17 236.122  15.943   2.628
   99    HA   THR  17           HA       THR  17 235.723  18.633   1.708
  100    HB   THR  17           HB       THR  17 234.281  18.854   3.756
  101    HG1  THR  17           HG1      THR  17 234.832  16.119   4.223
  102   1HG2  THR  17          2HG2      THR  17 233.373  17.890   1.650
  103   2HG2  THR  17          3HG2      THR  17 233.803  16.275   2.244
  104   3HG2  THR  17          1HG2      THR  17 232.615  17.241   3.119
  105    H    VAL  18           H        VAL  18 238.529  18.293   2.484
  106    HA   VAL  18           HA       VAL  18 238.965  19.796   4.950
  107    HB   VAL  18           HB       VAL  18 241.015  19.139   2.803
  108   1HG1  VAL  18          1HG2      VAL  18 241.750  20.752   4.587
  109   2HG1  VAL  18          2HG2      VAL  18 241.258  19.587   5.822
  110   3HG1  VAL  18          3HG2      VAL  18 242.586  19.200   4.714
  111   1HG2  VAL  18          1HG1      VAL  18 240.043  17.409   5.119
  112   2HG2  VAL  18          2HG1      VAL  18 239.971  17.011   3.390
  113   3HG2  VAL  18          3HG1      VAL  18 241.534  17.118   4.200
  114    H    CYS  19           H        CYS  19 237.440  21.506   4.117
  115    HA   CYS  19           HA       CYS  19 238.095  23.440   2.149
  116   1HB   CYS  19          1HB       CYS  19 235.870  23.065   3.030
  117   2HB   CYS  19          2HB       CYS  19 236.379  23.595   4.640
  118    H    ALA  20           H        ALA  20 238.610  25.716   2.421
  119    HA   ALA  20           HA       ALA  20 241.155  26.082   3.736
  120   1HB   ALA  20          2HB       ALA  20 240.629  26.952   1.506
  121   2HB   ALA  20          3HB       ALA  20 239.399  28.016   2.191
  122   3HB   ALA  20          1HB       ALA  20 241.093  28.265   2.604
  123    H    SER  21           H        SER  21 239.897  25.517   5.864
  124    HA   SER  21           HA       SER  21 238.659  26.474   7.779
  125   1HB   SER  21          1HB       SER  21 240.596  25.111   8.223
  126   2HB   SER  21          2HB       SER  21 241.686  26.486   7.979
  127    HG   SER  21           HG       SER  21 240.693  27.495   9.784
  128    H    GLY  22           H        GLY  22 237.709  28.427   7.022
  129   1HA   GLY  22          2HA       GLY  22 238.099  30.969   8.162
  130   2HA   GLY  22          1HA       GLY  22 239.202  30.881   6.771
  131    H    THR  23           H        THR  23 238.017  29.556   4.897
  132    HA   THR  23           HA       THR  23 235.113  30.209   4.609
  133    HB   THR  23           HB       THR  23 235.164  29.060   2.498
  134    HG1  THR  23           HG1      THR  23 237.132  28.210   1.732
  135   1HG2  THR  23          3HG2      THR  23 237.657  30.819   2.657
  136   2HG2  THR  23          1HG2      THR  23 236.796  30.366   1.183
  137   3HG2  THR  23          2HG2      THR  23 235.999  31.391   2.387
  138    H    THR  24           H        THR  24 233.686  28.325   4.466
  139    HA   THR  24           HA       THR  24 234.319  26.571   6.799
  140    HB   THR  24           HB       THR  24 231.982  26.807   7.389
  141    HG1  THR  24           HG1      THR  24 231.789  28.575   5.174
  142   1HG2  THR  24          3HG2      THR  24 233.370  29.459   6.738
  143   2HG2  THR  24          1HG2      THR  24 231.999  29.271   7.836
  144   3HG2  THR  24          2HG2      THR  24 233.549  28.494   8.210
  145    H    CYS  25           H        CYS  25 231.585  26.193   4.697
  146    HA   CYS  25           HA       CYS  25 231.164  24.138   3.294
  147   1HB   CYS  25          1HB       CYS  25 232.311  22.696   5.696
  148   2HB   CYS  25          2HB       CYS  25 231.178  21.956   4.604
  149    H    GLN  26           H        GLN  26 229.451  25.819   3.810
  150    HA   GLN  26           HA       GLN  26 227.439  24.864   5.826
  151   1HB   GLN  26          1HB       GLN  26 228.851  26.834   6.326
  152   2HB   GLN  26          2HB       GLN  26 228.072  27.707   4.995
  153   1HG   GLN  26          1HG       GLN  26 225.883  27.513   6.133
  154   2HG   GLN  26          2HG       GLN  26 226.589  26.460   7.369
  155   1HE2  GLN  26          2HE2      GLN  26 228.389  29.865   8.184
  156   2HE2  GLN  26          1HE2      GLN  26 228.982  28.751   6.951
  157    H    VAL  27           H        VAL  27 225.236  25.056   5.466
  158    HA   VAL  27           HA       VAL  27 224.261  24.110   3.084
  159    HB   VAL  27           HB       VAL  27 222.735  25.513   5.270
  160   1HG1  VAL  27          1HG2      VAL  27 221.719  23.630   3.088
  161   2HG1  VAL  27          2HG2      VAL  27 220.796  24.178   4.500
  162   3HG1  VAL  27          3HG2      VAL  27 221.292  25.342   3.277
  163   1HG2  VAL  27          2HG1      VAL  27 224.081  23.508   6.027
  164   2HG2  VAL  27          3HG1      VAL  27 222.343  23.230   6.119
  165   3HG2  VAL  27          1HG1      VAL  27 223.276  22.540   4.780
  166    H    LEU  28           H        LEU  28 224.263  25.003   1.083
  167    HA   LEU  28           HA       LEU  28 222.898  27.673   0.712
  168   1HB   LEU  28          1HB       LEU  28 225.038  26.322  -0.967
  169   2HB   LEU  28          2HB       LEU  28 224.045  27.663  -1.540
  170    HG   LEU  28           HG       LEU  28 226.063  27.793   0.720
  171   1HD1  LEU  28          2HD1      LEU  28 226.875  27.763  -1.677
  172   2HD1  LEU  28          3HD1      LEU  28 225.867  29.189  -1.999
  173   3HD1  LEU  28          1HD1      LEU  28 227.206  29.282  -0.844
  174   1HD2  LEU  28          2HD2      LEU  28 224.095  29.900  -0.311
  175   2HD2  LEU  28          3HD2      LEU  28 224.241  29.304   1.361
  176   3HD2  LEU  28          1HD2      LEU  28 225.531  30.277   0.661
  177    H    ASN  29           H        ASN  29 223.119  24.374  -0.696
  178    HA   ASN  29           HA       ASN  29 220.562  24.806  -2.154
  179   1HB   ASN  29          1HB       ASN  29 221.731  24.540  -4.373
  180   2HB   ASN  29          2HB       ASN  29 222.188  25.988  -3.504
  181   1HD2  ASN  29          2HD2      ASN  29 225.543  25.022  -4.058
  182   2HD2  ASN  29          1HD2      ASN  29 224.371  26.338  -3.987
  183    HA   PRO  30           HA       PRO  30 220.183  20.401  -1.882
  184   1HB   PRO  30          1HB       PRO  30 218.701  19.626  -4.031
  185   2HB   PRO  30          2HB       PRO  30 218.072  20.747  -2.804
  186   1HG   PRO  30          2HG       PRO  30 219.435  21.508  -5.414
  187   2HG   PRO  30          1HG       PRO  30 217.799  21.984  -4.875
  188   1HD   PRO  30          2HD       PRO  30 219.848  23.629  -4.426
  189   2HD   PRO  30          1HD       PRO  30 218.700  23.343  -3.103
  190    H    TYR  31           H        TYR  31 222.736  21.088  -2.748
  191    HA   TYR  31           HA       TYR  31 223.639  18.562  -3.959
  192   1HB   TYR  31          2HB       TYR  31 224.699  21.263  -4.947
  193   2HB   TYR  31          1HB       TYR  31 225.264  19.677  -5.415
  194    HD1  TYR  31           HD2      TYR  31 222.526  22.168  -5.769
  195    HD2  TYR  31           HD1      TYR  31 224.110  18.386  -7.126
  196    HE1  TYR  31           HE2      TYR  31 220.952  22.192  -7.695
  197    HE2  TYR  31           HE1      TYR  31 222.499  18.407  -9.031
  198    HH   TYR  31           HH       TYR  31 220.248  21.122  -9.536
  199    H    ALA  32           H        ALA  32 224.633  21.729  -2.793
  200    HA   ALA  32           HA       ALA  32 226.726  20.612  -1.004
  201   1HB   ALA  32          2HB       ALA  32 227.469  21.919  -2.986
  202   2HB   ALA  32          3HB       ALA  32 226.578  23.324  -2.373
  203   3HB   ALA  32          1HB       ALA  32 227.935  22.660  -1.448
  204    H    SER  33           H        SER  33 226.241  20.707   1.024
  205    HA   SER  33           HA       SER  33 226.024  23.426   2.161
  206   1HB   SER  33          1HB       SER  33 225.599  21.395   3.640
  207   2HB   SER  33          2HB       SER  33 227.298  20.958   3.434
  208    HG   SER  33           HG       SER  33 227.790  22.578   4.814
  209    H    GLN  34           H        GLN  34 227.922  24.699   2.184
  210    HA   GLN  34           HA       GLN  34 229.752  23.868  -0.027
  211   1HB   GLN  34          2HB       GLN  34 227.370  25.068  -0.332
  212   2HB   GLN  34          1HB       GLN  34 228.292  26.517   0.002
  213   1HG   GLN  34          2HG       GLN  34 229.088  24.497  -2.179
  214   2HG   GLN  34          1HG       GLN  34 227.863  25.727  -2.444
  215   1HE2  GLN  34          2HE2      GLN  34 230.329  28.038  -3.359
  216   2HE2  GLN  34          1HE2      GLN  34 228.683  27.463  -3.591
  217    H    CYS  35           H        CYS  35 231.763  24.667  -0.086
  218    HA   CYS  35           HA       CYS  35 232.976  25.818   2.287
  219   1HB   CYS  35          1HB       CYS  35 234.007  24.086   0.945
  220   2HB   CYS  35          2HB       CYS  35 234.075  25.163  -0.459
  221    H    LEU  36           H        LEU  36 231.391  27.698   2.185
  222    HA   LEU  36           HA       LEU  36 232.492  30.098   0.813
  223   1HB   LEU  36          1HB       LEU  36 230.002  29.778   2.528
  224   2HB   LEU  36          2HB       LEU  36 230.648  31.288   1.906
  225    HG   LEU  36           HG       LEU  36 229.126  29.161   0.487
  226   1HD1  LEU  36          1HD2      LEU  36 229.426  32.203   0.174
  227   2HD1  LEU  36          2HD2      LEU  36 228.241  31.224  -0.691
  228   3HD1  LEU  36          3HD2      LEU  36 228.140  31.375   1.075
  229   1HD2  LEU  36          1HD1      LEU  36 231.208  30.801  -1.012
  230   2HD2  LEU  36          2HD1      LEU  36 231.207  29.030  -0.826
  231   3HD2  LEU  36          3HD1      LEU  36 229.917  29.813  -1.735
   
  No H/Q in entry =         231
  Start of MODEL    8
    1   1H    THR   1          2H        THR   1 240.700  18.060  -1.352
    2   2H    THR   1          3H        THR   1 241.508  17.743   0.056
    3   3H    THR   1          1H        THR   1 239.865  17.798   0.052
    4    HA   THR   1           HA       THR   1 240.517  19.778   0.995
    5    HB   THR   1           HB       THR   1 242.652  20.165  -1.146
    6    HG1  THR   1           HG1      THR   1 243.999  19.360   0.671
    7   1HG2  THR   1          3HG2      THR   1 242.350  21.310   1.682
    8   2HG2  THR   1          1HG2      THR   1 243.757  21.525   0.632
    9   3HG2  THR   1          2HG2      THR   1 242.211  22.223   0.164
   10    H    GLN   2           H        GLN   2 239.893  22.087   0.438
   11    HA   GLN   2           HA       GLN   2 239.640  22.837  -2.338
   12   1HB   GLN   2          2HB       GLN   2 237.271  21.730  -1.101
   13   2HB   GLN   2          1HB       GLN   2 236.997  23.446  -1.277
   14   1HG   GLN   2          2HG       GLN   2 237.750  21.536  -3.508
   15   2HG   GLN   2          1HG       GLN   2 236.155  22.210  -3.204
   16   1HE2  GLN   2          2HE2      GLN   2 237.184  25.479  -4.512
   17   2HE2  GLN   2          1HE2      GLN   2 236.525  25.018  -2.957
   18    H    SER   3           H        SER   3 238.885  25.083  -2.617
   19    HA   SER   3           HA       SER   3 239.368  26.904  -0.280
   20   1HB   SER   3          1HB       SER   3 241.027  27.098  -2.114
   21   2HB   SER   3          2HB       SER   3 239.714  27.447  -3.257
   22    HG   SER   3           HG       SER   3 240.694  29.383  -2.413
   23    H    HIS   4           H        HIS   4 238.257  29.159  -1.433
   24    HA   HIS   4           HA       HIS   4 235.723  29.042  -0.414
   25   1HB   HIS   4          1HB       HIS   4 237.249  31.084  -0.983
   26   2HB   HIS   4          2HB       HIS   4 236.422  31.110  -2.537
   27    HD2  HIS   4           HD2      HIS   4 234.834  30.552   1.057
   28    HE1  HIS   4           HE1      HIS   4 233.249  34.107  -0.541
   29    HE2  HIS   4           HE2      HIS   4 233.214  32.494   1.497
   30    H    TYR   5           H        TYR   5 233.619  29.153  -1.119
   31    HA   TYR   5           HA       TYR   5 231.840  28.198  -2.038
   32   1HB   TYR   5          2HB       TYR   5 233.026  28.839  -4.744
   33   2HB   TYR   5          1HB       TYR   5 231.331  28.620  -4.352
   34    HD1  TYR   5           HD1      TYR   5 230.794  30.252  -2.007
   35    HD2  TYR   5           HD2      TYR   5 233.365  31.102  -5.378
   36    HE1  TYR   5           HE1      TYR   5 230.452  32.684  -1.663
   37    HE2  TYR   5           HE2      TYR   5 233.016  33.542  -5.006
   38    HH   TYR   5           HH       TYR   5 231.095  34.775  -2.293
   39    H    GLY   6           H        GLY   6 234.529  26.436  -2.024
   40   1HA   GLY   6          1HA       GLY   6 234.166  24.279  -3.760
   41   2HA   GLY   6          2HA       GLY   6 234.888  24.175  -2.152
   42    H    GLN   7           H        GLN   7 233.278  22.191  -3.557
   43    HA   GLN   7           HA       GLN   7 230.614  22.113  -2.342
   44   1HB   GLN   7          1HB       GLN   7 231.030  21.587  -4.697
   45   2HB   GLN   7          2HB       GLN   7 232.107  20.253  -4.241
   46   1HG   GLN   7          2HG       GLN   7 230.131  19.151  -3.076
   47   2HG   GLN   7          1HG       GLN   7 229.142  20.505  -3.655
   48   1HE2  GLN   7          2HE2      GLN   7 228.478  17.856  -6.045
   49   2HE2  GLN   7          1HE2      GLN   7 228.008  18.398  -4.424
   50    H    CYS   8           H        CYS   8 230.419  21.361  -0.194
   51    HA   CYS   8           HA       CYS   8 231.834  18.822   0.561
   52   1HB   CYS   8          1HB       CYS   8 230.881  20.615   2.725
   53   2HB   CYS   8          2HB       CYS   8 232.317  19.623   2.602
   54    H    GLY   9           H        GLY   9 229.873  17.995  -0.765
   55   1HA   GLY   9          2HA       GLY   9 228.692  16.049   0.145
   56   2HA   GLY   9          1HA       GLY   9 227.802  17.091   1.236
   57    H    GLY  10           H        GLY  10 225.704  17.178   0.631
   58   1HA   GLY  10          2HA       GLY  10 223.763  17.132  -0.630
   59   2HA   GLY  10          1HA       GLY  10 224.682  18.012  -1.851
   60    H    ILE  11           H        ILE  11 223.515  16.926  -3.531
   61    HA   ILE  11           HA       ILE  11 223.288  14.137  -3.942
   62    HB   ILE  11           HB       ILE  11 223.376  16.455  -5.871
   63   1HG1  ILE  11          2HG1      ILE  11 221.130  14.555  -5.029
   64   2HG1  ILE  11          1HG1      ILE  11 221.428  16.128  -4.286
   65   1HG2  ILE  11          3HG2      ILE  11 222.885  13.522  -6.582
   66   2HG2  ILE  11          1HG2      ILE  11 222.568  14.900  -7.655
   67   3HG2  ILE  11          2HG2      ILE  11 224.211  14.539  -7.185
   68   1HD1  ILE  11          2HD1      ILE  11 221.016  17.250  -6.470
   69   2HD1  ILE  11          3HD1      ILE  11 220.593  15.678  -7.184
   70   3HD1  ILE  11          1HD1      ILE  11 219.626  16.332  -5.868
   71    H    GLY  12           H        GLY  12 224.861  12.682  -3.802
   72   1HA   GLY  12          2HA       GLY  12 226.398  11.288  -4.872
   73   2HA   GLY  12          1HA       GLY  12 226.895  12.606  -5.923
   74    H    TYR  13           H        TYR  13 227.641  14.444  -3.753
   75    HA   TYR  13           HA       TYR  13 230.329  13.765  -4.142
   76   1HB   TYR  13          1HB       TYR  13 229.121  16.036  -4.075
   77   2HB   TYR  13          2HB       TYR  13 229.469  16.027  -2.356
   78    HD1  TYR  13           HD1      TYR  13 231.807  16.238  -1.519
   79    HD2  TYR  13           HD2      TYR  13 230.890  16.241  -5.748
   80    HE1  TYR  13           HE1      TYR  13 234.086  17.012  -2.023
   81    HE2  TYR  13           HE2      TYR  13 233.119  17.232  -6.220
   82    HH   TYR  13           HH       TYR  13 235.001  18.050  -5.320
   83    H    SER  14           H        SER  14 230.598  11.736  -2.965
   84    HA   SER  14           HA       SER  14 231.226  11.753  -0.111
   85   1HB   SER  14          2HB       SER  14 232.229   9.576  -0.540
   86   2HB   SER  14          1HB       SER  14 230.676   9.710  -1.385
   87    HG   SER  14           HG       SER  14 232.314   8.873  -2.758
   88    H    GLY  15           H        GLY  15 232.761  13.660  -2.263
   89   1HA   GLY  15          1HA       GLY  15 235.488  12.860  -2.133
   90   2HA   GLY  15          2HA       GLY  15 234.899  14.423  -2.667
   91    HA   PRO  16           HA       PRO  16 236.599  14.630   1.850
   92   1HB   PRO  16          1HB       PRO  16 239.282  14.313   1.873
   93   2HB   PRO  16          2HB       PRO  16 238.187  12.921   1.700
   94   1HG   PRO  16          2HG       PRO  16 239.524  14.473  -0.556
   95   2HG   PRO  16          1HG       PRO  16 239.633  12.718  -0.259
   96   1HD   PRO  16          1HD       PRO  16 237.792  13.741  -1.988
   97   2HD   PRO  16          2HD       PRO  16 237.367  12.377  -0.912
   98    H    THR  17           H        THR  17 235.686  16.760   0.712
   99    HA   THR  17           HA       THR  17 237.690  18.847   0.187
  100    HB   THR  17           HB       THR  17 235.475  20.248  -0.036
  101    HG1  THR  17           HG1      THR  17 233.743  18.806  -0.495
  102   1HG2  THR  17          3HG2      THR  17 236.109  17.879  -1.847
  103   2HG2  THR  17          1HG2      THR  17 235.139  19.305  -2.279
  104   3HG2  THR  17          2HG2      THR  17 236.867  19.466  -1.941
  105    H    VAL  18           H        VAL  18 238.193  18.003   2.715
  106    HA   VAL  18           HA       VAL  18 237.457  19.838   4.775
  107    HB   VAL  18           HB       VAL  18 240.144  18.575   4.092
  108   1HG1  VAL  18          3HG2      VAL  18 239.246  19.918   6.685
  109   2HG1  VAL  18          1HG2      VAL  18 240.752  19.009   6.454
  110   3HG1  VAL  18          2HG2      VAL  18 240.505  20.527   5.588
  111   1HG2  VAL  18          2HG1      VAL  18 238.338  16.915   4.624
  112   2HG2  VAL  18          3HG1      VAL  18 239.569  16.976   5.891
  113   3HG2  VAL  18          1HG1      VAL  18 238.011  17.783   6.136
  114    H    CYS  19           H        CYS  19 237.283  22.001   4.443
  115    HA   CYS  19           HA       CYS  19 238.691  23.177   2.209
  116   1HB   CYS  19          1HB       CYS  19 236.114  23.201   3.044
  117   2HB   CYS  19          2HB       CYS  19 236.613  24.783   3.637
  118    H    ALA  20           H        ALA  20 238.828  25.732   2.322
  119    HA   ALA  20           HA       ALA  20 241.235  26.370   3.759
  120   1HB   ALA  20          3HB       ALA  20 239.309  28.059   2.111
  121   2HB   ALA  20          1HB       ALA  20 240.866  28.624   2.736
  122   3HB   ALA  20          2HB       ALA  20 240.813  27.285   1.582
  123    H    SER  21           H        SER  21 240.274  25.707   5.875
  124    HA   SER  21           HA       SER  21 238.438  26.704   7.471
  125   1HB   SER  21          1HB       SER  21 240.154  25.102   8.167
  126   2HB   SER  21          2HB       SER  21 241.311  26.439   8.401
  127    HG   SER  21           HG       SER  21 240.198  25.916  10.381
  128    H    GLY  22           H        GLY  22 237.609  28.634   7.655
  129   1HA   GLY  22          2HA       GLY  22 238.159  31.098   8.633
  130   2HA   GLY  22          1HA       GLY  22 239.209  31.080   7.204
  131    H    THR  23           H        THR  23 238.022  29.900   5.300
  132    HA   THR  23           HA       THR  23 235.151  30.601   4.933
  133    HB   THR  23           HB       THR  23 235.232  29.380   2.896
  134    HG1  THR  23           HG1      THR  23 237.789  28.548   3.748
  135   1HG2  THR  23          2HG2      THR  23 236.278  31.638   2.765
  136   2HG2  THR  23          3HG2      THR  23 237.872  30.941   3.116
  137   3HG2  THR  23          1HG2      THR  23 237.043  30.500   1.623
  138    H    THR  24           H        THR  24 233.676  28.682   4.616
  139    HA   THR  24           HA       THR  24 234.139  26.616   6.748
  140    HB   THR  24           HB       THR  24 231.793  26.780   7.240
  141    HG1  THR  24           HG1      THR  24 231.750  28.832   5.273
  142   1HG2  THR  24          2HG2      THR  24 233.425  28.335   8.309
  143   2HG2  THR  24          3HG2      THR  24 233.067  29.559   7.080
  144   3HG2  THR  24          1HG2      THR  24 231.790  29.027   8.188
  145    H    CYS  25           H        CYS  25 231.289  26.184   5.054
  146    HA   CYS  25           HA       CYS  25 231.331  24.182   3.238
  147   1HB   CYS  25          1HB       CYS  25 232.557  23.040   5.748
  148   2HB   CYS  25          2HB       CYS  25 231.497  22.033   4.783
  149    H    GLN  26           H        GLN  26 229.350  25.701   3.756
  150    HA   GLN  26           HA       GLN  26 227.324  24.392   5.532
  151   1HB   GLN  26          1HB       GLN  26 228.473  26.301   6.505
  152   2HB   GLN  26          2HB       GLN  26 227.888  27.332   5.188
  153   1HG   GLN  26          1HG       GLN  26 225.570  27.050   5.903
  154   2HG   GLN  26          2HG       GLN  26 226.011  25.739   7.008
  155   1HE2  GLN  26          2HE2      GLN  26 227.454  29.208   8.468
  156   2HE2  GLN  26          1HE2      GLN  26 228.044  28.656   6.898
  157    H    VAL  27           H        VAL  27 225.154  24.534   5.054
  158    HA   VAL  27           HA       VAL  27 224.421  23.853   2.521
  159    HB   VAL  27           HB       VAL  27 222.108  23.968   3.207
  160   1HG1  VAL  27          1HG2      VAL  27 223.539  22.058   3.847
  161   2HG1  VAL  27          2HG2      VAL  27 223.913  22.858   5.392
  162   3HG1  VAL  27          3HG2      VAL  27 222.255  22.369   5.021
  163   1HG2  VAL  27          3HG1      VAL  27 223.119  25.358   5.732
  164   2HG2  VAL  27          1HG1      VAL  27 221.985  26.020   4.535
  165   3HG2  VAL  27          2HG1      VAL  27 221.508  24.649   5.528
  166    H    LEU  28           H        LEU  28 223.902  24.674   0.631
  167    HA   LEU  28           HA       LEU  28 221.905  26.762   0.629
  168   1HB   LEU  28          2HB       LEU  28 222.802  28.243  -1.074
  169   2HB   LEU  28          1HB       LEU  28 223.624  28.308   0.459
  170    HG   LEU  28           HG       LEU  28 225.119  26.433  -1.140
  171   1HD1  LEU  28          3HD2      LEU  28 224.029  27.466  -3.147
  172   2HD1  LEU  28          1HD2      LEU  28 224.576  29.061  -2.608
  173   3HD1  LEU  28          2HD2      LEU  28 225.763  27.832  -3.067
  174   1HD2  LEU  28          1HD1      LEU  28 225.692  29.295  -0.295
  175   2HD2  LEU  28          2HD1      LEU  28 226.046  27.815   0.626
  176   3HD2  LEU  28          3HD1      LEU  28 226.896  28.148  -0.896
  177    H    ASN  29           H        ASN  29 223.800  25.386  -2.112
  178    HA   ASN  29           HA       ASN  29 221.254  24.678  -3.442
  179   1HB   ASN  29          1HB       ASN  29 222.617  24.166  -5.386
  180   2HB   ASN  29          2HB       ASN  29 223.028  25.748  -4.744
  181   1HD2  ASN  29          2HD2      ASN  29 226.424  24.809  -4.291
  182   2HD2  ASN  29          1HD2      ASN  29 225.253  26.100  -4.278
  183    HA   PRO  30           HA       PRO  30 221.032  20.427  -2.162
  184   1HB   PRO  30          1HB       PRO  30 220.220  19.055  -4.443
  185   2HB   PRO  30          2HB       PRO  30 219.167  20.095  -3.454
  186   1HG   PRO  30          2HG       PRO  30 220.719  20.884  -5.946
  187   2HG   PRO  30          1HG       PRO  30 218.978  21.120  -5.628
  188   1HD   PRO  30          2HD       PRO  30 220.660  23.144  -5.184
  189   2HD   PRO  30          1HD       PRO  30 219.450  22.778  -3.929
  190    H    TYR  31           H        TYR  31 223.450  21.278  -4.480
  191    HA   TYR  31           HA       TYR  31 224.787  18.627  -4.368
  192   1HB   TYR  31          2HB       TYR  31 225.608  21.151  -5.856
  193   2HB   TYR  31          1HB       TYR  31 226.334  19.572  -5.964
  194    HD1  TYR  31           HD2      TYR  31 223.362  21.604  -6.863
  195    HD2  TYR  31           HD1      TYR  31 225.288  17.753  -7.208
  196    HE1  TYR  31           HE2      TYR  31 221.645  20.883  -8.530
  197    HE2  TYR  31           HE1      TYR  31 223.597  17.062  -8.896
  198    HH   TYR  31           HH       TYR  31 221.762  17.664 -10.045
  199    H    ALA  32           H        ALA  32 224.746  21.531  -2.509
  200    HA   ALA  32           HA       ALA  32 227.443  20.923  -1.372
  201   1HB   ALA  32          2HB       ALA  32 227.635  22.415  -3.376
  202   2HB   ALA  32          3HB       ALA  32 226.687  23.621  -2.497
  203   3HB   ALA  32          1HB       ALA  32 228.262  23.095  -1.871
  204    H    SER  33           H        SER  33 227.112  20.660   0.713
  205    HA   SER  33           HA       SER  33 226.342  23.066   2.267
  206   1HB   SER  33          1HB       SER  33 226.211  20.733   3.317
  207   2HB   SER  33          2HB       SER  33 227.984  20.758   3.343
  208    HG   SER  33           HG       SER  33 227.887  22.332   4.860
  209    H    GLN  34           H        GLN  34 227.535  24.714   1.453
  210    HA   GLN  34           HA       GLN  34 229.978  24.054  -0.027
  211   1HB   GLN  34          1HB       GLN  34 227.750  25.130  -0.911
  212   2HB   GLN  34          2HB       GLN  34 228.365  26.606  -0.179
  213   1HG   GLN  34          2HG       GLN  34 230.428  26.424  -1.570
  214   2HG   GLN  34          1HG       GLN  34 229.854  24.907  -2.257
  215   1HE2  GLN  34          2HE2      GLN  34 228.363  28.386  -3.698
  216   2HE2  GLN  34          1HE2      GLN  34 229.358  28.423  -2.244
  217    H    CYS  35           H        CYS  35 231.930  25.212   0.082
  218    HA   CYS  35           HA       CYS  35 232.668  26.436   2.557
  219   1HB   CYS  35          2HB       CYS  35 234.205  26.715  -0.022
  220   2HB   CYS  35          1HB       CYS  35 234.803  26.808   1.624
  221    H    LEU  36           H        LEU  36 230.894  28.068   2.709
  222    HA   LEU  36           HA       LEU  36 231.354  30.686   1.437
  223   1HB   LEU  36          1HB       LEU  36 229.746  29.893   3.894
  224   2HB   LEU  36          2HB       LEU  36 229.724  31.475   3.120
  225    HG   LEU  36           HG       LEU  36 228.790  28.877   1.804
  226   1HD1  LEU  36          1HD2      LEU  36 227.229  31.229   2.943
  227   2HD1  LEU  36          2HD2      LEU  36 226.537  29.848   2.069
  228   3HD1  LEU  36          3HD2      LEU  36 227.315  29.596   3.639
  229   1HD2  LEU  36          1HD1      LEU  36 228.818  31.780   0.854
  230   2HD2  LEU  36          2HD1      LEU  36 229.574  30.373   0.072
  231   3HD2  LEU  36          3HD1      LEU  36 227.815  30.518   0.112
   
  No H/Q in entry =         231
  Start of MODEL    9
    1   1H    THR   1          2H        THR   1 243.830  24.899  -2.477
    2   2H    THR   1          3H        THR   1 244.888  24.118  -1.480
    3   3H    THR   1          1H        THR   1 244.157  23.297  -2.733
    4    HA   THR   1           HA       THR   1 243.070  22.630  -0.776
    5    HB   THR   1           HB       THR   1 242.843  25.556   0.058
    6    HG1  THR   1           HG1      THR   1 244.656  24.869   1.436
    7   1HG2  THR   1          3HG2      THR   1 242.686  22.959   1.687
    8   2HG2  THR   1          1HG2      THR   1 242.631  24.595   2.342
    9   3HG2  THR   1          2HG2      THR   1 241.318  24.033   1.311
   10    H    GLN   2           H        GLN   2 240.732  22.398  -0.472
   11    HA   GLN   2           HA       GLN   2 239.021  23.472  -2.575
   12   1HB   GLN   2          2HB       GLN   2 238.948  21.166  -1.689
   13   2HB   GLN   2          1HB       GLN   2 238.449  21.793  -0.113
   14   1HG   GLN   2          1HG       GLN   2 236.376  22.648  -1.036
   15   2HG   GLN   2          2HG       GLN   2 236.851  22.143  -2.672
   16   1HE2  GLN   2          2HE2      GLN   2 234.921  19.267  -1.879
   17   2HE2  GLN   2          1HE2      GLN   2 234.934  20.755  -2.827
   18    H    SER   3           H        SER   3 239.647  25.741  -1.908
   19    HA   SER   3           HA       SER   3 238.557  26.888   0.545
   20   1HB   SER   3          1HB       SER   3 239.945  28.138  -1.856
   21   2HB   SER   3          2HB       SER   3 239.549  29.004  -0.358
   22    HG   SER   3           HG       SER   3 240.940  27.717   0.756
   23    H    HIS   4           H        HIS   4 237.994  29.223  -1.853
   24    HA   HIS   4           HA       HIS   4 235.289  29.480  -1.106
   25   1HB   HIS   4          1HB       HIS   4 236.986  31.233  -1.968
   26   2HB   HIS   4          2HB       HIS   4 236.557  30.698  -3.588
   27    HD2  HIS   4           HD2      HIS   4 234.057  31.467  -0.588
   28    HE1  HIS   4           HE1      HIS   4 233.490  34.340  -3.641
   29    HE2  HIS   4           HE2      HIS   4 232.608  33.499  -1.403
   30    H    TYR   5           H        TYR   5 233.559  28.412  -1.771
   31    HA   TYR   5           HA       TYR   5 231.925  27.495  -3.015
   32   1HB   TYR   5          1HB       TYR   5 233.634  27.654  -5.505
   33   2HB   TYR   5          2HB       TYR   5 231.908  27.401  -5.419
   34    HD1  TYR   5           HD2      TYR   5 230.601  29.363  -3.978
   35    HD2  TYR   5           HD1      TYR   5 234.276  29.825  -6.207
   36    HE1  TYR   5           HE2      TYR   5 230.124  31.790  -4.289
   37    HE2  TYR   5           HE1      TYR   5 233.782  32.234  -6.506
   38    HH   TYR   5           HH       TYR   5 232.381  33.923  -6.024
   39    H    GLY   6           H        GLY   6 233.648  25.916  -1.523
   40   1HA   GLY   6          1HA       GLY   6 234.177  23.403  -3.006
   41   2HA   GLY   6          2HA       GLY   6 234.604  23.814  -1.356
   42    H    GLN   7           H        GLN   7 232.687  21.687  -3.080
   43    HA   GLN   7           HA       GLN   7 230.290  21.633  -1.571
   44   1HB   GLN   7          1HB       GLN   7 230.453  20.735  -3.789
   45   2HB   GLN   7          2HB       GLN   7 231.600  19.491  -3.277
   46   1HG   GLN   7          2HG       GLN   7 229.896  18.342  -1.967
   47   2HG   GLN   7          1HG       GLN   7 228.769  19.693  -2.153
   48   1HE2  GLN   7          2HE2      GLN   7 227.401  17.420  -4.569
   49   2HE2  GLN   7          1HE2      GLN   7 227.317  17.829  -2.851
   50    H    CYS   8           H        CYS   8 230.133  21.302   0.636
   51    HA   CYS   8           HA       CYS   8 231.193  18.728   1.728
   52   1HB   CYS   8          1HB       CYS   8 230.075  20.835   3.560
   53   2HB   CYS   8          2HB       CYS   8 231.336  19.649   3.830
   54    H    GLY   9           H        GLY   9 229.150  18.291   0.048
   55   1HA   GLY   9          2HA       GLY   9 226.831  17.629   1.761
   56   2HA   GLY   9          1HA       GLY   9 226.537  18.859   0.539
   57    H    GLY  10           H        GLY  10 225.130  16.542   0.761
   58   1HA   GLY  10          1HA       GLY  10 225.943  14.146  -0.066
   59   2HA   GLY  10          2HA       GLY  10 224.291  14.697  -0.294
   60    H    ILE  11           H        ILE  11 224.074  16.083  -2.513
   61    HA   ILE  11           HA       ILE  11 224.123  13.923  -4.352
   62    HB   ILE  11           HB       ILE  11 223.423  16.801  -4.875
   63   1HG1  ILE  11          2HG1      ILE  11 221.741  14.323  -4.249
   64   2HG1  ILE  11          1HG1      ILE  11 222.054  15.659  -3.139
   65   1HG2  ILE  11          2HG2      ILE  11 223.966  15.689  -7.012
   66   2HG2  ILE  11          3HG2      ILE  11 222.845  14.372  -6.609
   67   3HG2  ILE  11          1HG2      ILE  11 222.253  16.024  -6.876
   68   1HD1  ILE  11          2HD1      ILE  11 220.872  17.211  -4.725
   69   2HD1  ILE  11          3HD1      ILE  11 220.379  15.787  -5.672
   70   3HD1  ILE  11          1HD1      ILE  11 219.858  15.957  -3.996
   71    H    GLY  12           H        GLY  12 225.955  13.096  -4.979
   72   1HA   GLY  12          1HA       GLY  12 227.535  13.022  -6.877
   73   2HA   GLY  12          2HA       GLY  12 227.970  14.692  -6.544
   74    H    TYR  13           H        TYR  13 227.971  13.974  -3.492
   75    HA   TYR  13           HA       TYR  13 230.903  13.862  -3.817
   76   1HB   TYR  13          1HB       TYR  13 229.427  15.857  -3.069
   77   2HB   TYR  13          2HB       TYR  13 229.453  15.092  -1.495
   78    HD1  TYR  13           HD2      TYR  13 231.536  16.447  -4.275
   79    HD2  TYR  13           HD1      TYR  13 231.530  15.266  -0.115
   80    HE1  TYR  13           HE2      TYR  13 233.825  17.387  -3.992
   81    HE2  TYR  13           HE1      TYR  13 233.805  16.239   0.155
   82    HH   TYR  13           HH       TYR  13 235.613  17.204  -0.929
   83    H    SER  14           H        SER  14 230.496  11.293  -3.614
   84    HA   SER  14           HA       SER  14 231.074  10.295  -0.902
   85   1HB   SER  14          1HB       SER  14 231.797   8.265  -2.044
   86   2HB   SER  14          2HB       SER  14 230.252   8.810  -2.715
   87    HG   SER  14           HG       SER  14 232.825   9.301  -3.805
   88    H    GLY  15           H        GLY  15 232.480  12.434  -0.704
   89   1HA   GLY  15          1HA       GLY  15 235.288  12.047  -1.693
   90   2HA   GLY  15          2HA       GLY  15 234.334  13.487  -2.040
   91    HA   PRO  16           HA       PRO  16 236.632  13.995   2.078
   92   1HB   PRO  16          1HB       PRO  16 239.140  14.771   1.465
   93   2HB   PRO  16          2HB       PRO  16 238.654  13.065   1.327
   94   1HG   PRO  16          1HG       PRO  16 238.728  15.119  -0.929
   95   2HG   PRO  16          2HG       PRO  16 239.498  13.514  -0.900
   96   1HD   PRO  16          1HD       PRO  16 237.022  13.947  -2.010
   97   2HD   PRO  16          2HD       PRO  16 237.434  12.423  -1.166
   98    H    THR  17           H        THR  17 236.105  15.948   3.072
   99    HA   THR  17           HA       THR  17 235.781  18.426   1.527
  100    HB   THR  17           HB       THR  17 235.067  19.391   3.665
  101    HG1  THR  17           HG1      THR  17 236.403  18.176   5.033
  102   1HG2  THR  17          2HG2      THR  17 233.414  18.154   2.289
  103   2HG2  THR  17          3HG2      THR  17 233.776  16.664   3.188
  104   3HG2  THR  17          1HG2      THR  17 233.077  18.055   4.030
  105    H    VAL  18           H        VAL  18 238.148  18.382   0.857
  106    HA   VAL  18           HA       VAL  18 240.216  18.905   2.875
  107    HB   VAL  18           HB       VAL  18 240.520  19.088  -0.140
  108   1HG1  VAL  18          3HG2      VAL  18 242.481  19.971   1.183
  109   2HG1  VAL  18          1HG2      VAL  18 242.526  18.451   2.087
  110   3HG1  VAL  18          2HG2      VAL  18 242.875  18.472   0.350
  111   1HG2  VAL  18          1HG1      VAL  18 240.775  16.637   1.662
  112   2HG2  VAL  18          2HG1      VAL  18 239.595  16.882   0.356
  113   3HG2  VAL  18          3HG1      VAL  18 241.301  16.723  -0.033
  114    H    CYS  19           H        CYS  19 238.722  20.777   3.557
  115    HA   CYS  19           HA       CYS  19 238.869  23.217   1.925
  116   1HB   CYS  19          1HB       CYS  19 236.743  22.262   2.310
  117   2HB   CYS  19          2HB       CYS  19 236.990  22.170   4.051
  118    H    ALA  20           H        ALA  20 239.032  25.335   2.742
  119    HA   ALA  20           HA       ALA  20 241.333  25.557   4.571
  120   1HB   ALA  20          2HB       ALA  20 241.364  26.608   2.364
  121   2HB   ALA  20          3HB       ALA  20 239.970  27.620   2.810
  122   3HB   ALA  20          1HB       ALA  20 241.518  27.811   3.651
  123    H    SER  21           H        SER  21 239.620  24.864   6.310
  124    HA   SER  21           HA       SER  21 237.842  26.007   7.805
  125   1HB   SER  21          1HB       SER  21 239.310  24.269   8.654
  126   2HB   SER  21          2HB       SER  21 240.614  25.438   8.921
  127    HG   SER  21           HG       SER  21 239.274  26.484  10.456
  128    H    GLY  22           H        GLY  22 237.293  28.094   7.435
  129   1HA   GLY  22          2HA       GLY  22 238.093  30.548   8.489
  130   2HA   GLY  22          1HA       GLY  22 239.317  30.173   7.267
  131    H    THR  23           H        THR  23 238.185  29.107   5.246
  132    HA   THR  23           HA       THR  23 235.524  30.211   4.488
  133    HB   THR  23           HB       THR  23 235.536  28.689   2.643
  134    HG1  THR  23           HG1      THR  23 236.893  27.091   2.438
  135   1HG2  THR  23          2HG2      THR  23 236.746  30.832   2.320
  136   2HG2  THR  23          3HG2      THR  23 238.265  30.049   2.808
  137   3HG2  THR  23          1HG2      THR  23 237.426  29.528   1.328
  138    H    THR  24           H        THR  24 233.692  28.794   4.439
  139    HA   THR  24           HA       THR  24 233.598  27.223   6.939
  140    HB   THR  24           HB       THR  24 231.288  27.814   7.061
  141    HG1  THR  24           HG1      THR  24 231.618  29.159   4.580
  142   1HG2  THR  24          2HG2      THR  24 232.892  29.576   7.773
  143   2HG2  THR  24          3HG2      THR  24 232.855  30.266   6.142
  144   3HG2  THR  24          1HG2      THR  24 231.382  30.249   7.118
  145    H    CYS  25           H        CYS  25 230.865  26.640   5.154
  146    HA   CYS  25           HA       CYS  25 230.843  24.309   3.782
  147   1HB   CYS  25          1HB       CYS  25 231.398  23.539   6.643
  148   2HB   CYS  25          2HB       CYS  25 230.419  22.513   5.614
  149    H    GLN  26           H        GLN  26 229.084  26.329   3.815
  150    HA   GLN  26           HA       GLN  26 226.679  25.494   5.413
  151   1HB   GLN  26          1HB       GLN  26 227.939  27.463   6.195
  152   2HB   GLN  26          2HB       GLN  26 227.561  28.297   4.680
  153   1HG   GLN  26          1HG       GLN  26 225.207  28.392   5.227
  154   2HG   GLN  26          2HG       GLN  26 225.377  27.163   6.490
  155   1HE2  GLN  26          2HE2      GLN  26 227.073  30.638   7.694
  156   2HE2  GLN  26          1HE2      GLN  26 227.627  29.957   6.162
  157    H    VAL  27           H        VAL  27 224.599  25.822   4.627
  158    HA   VAL  27           HA       VAL  27 224.153  24.878   2.063
  159    HB   VAL  27           HB       VAL  27 221.774  25.252   2.486
  160   1HG1  VAL  27          1HG2      VAL  27 222.968  23.299   3.465
  161   2HG1  VAL  27          2HG2      VAL  27 223.241  24.230   4.956
  162   3HG1  VAL  27          3HG2      VAL  27 221.595  23.830   4.449
  163   1HG2  VAL  27          1HG1      VAL  27 222.675  26.732   5.007
  164   2HG2  VAL  27          2HG1      VAL  27 221.823  27.453   3.630
  165   3HG2  VAL  27          3HG1      VAL  27 221.013  26.249   4.629
  166    H    LEU  28           H        LEU  28 223.711  25.555   0.111
  167    HA   LEU  28           HA       LEU  28 222.216  27.983  -0.319
  168   1HB   LEU  28          2HB       LEU  28 223.613  29.058  -2.006
  169   2HB   LEU  28          1HB       LEU  28 224.262  29.103  -0.390
  170    HG   LEU  28           HG       LEU  28 225.466  26.786  -1.520
  171   1HD1  LEU  28          3HD2      LEU  28 224.731  27.592  -3.786
  172   2HD1  LEU  28          1HD2      LEU  28 225.580  29.118  -3.496
  173   3HD1  LEU  28          2HD2      LEU  28 226.495  27.607  -3.596
  174   1HD2  LEU  28          3HD1      LEU  28 226.472  28.409   0.057
  175   2HD2  LEU  28          1HD1      LEU  28 227.522  28.081  -1.323
  176   3HD2  LEU  28          2HD1      LEU  28 226.596  29.590  -1.268
  177    H    ASN  29           H        ASN  29 224.040  25.612  -2.343
  178    HA   ASN  29           HA       ASN  29 221.556  25.166  -3.945
  179   1HB   ASN  29          1HB       ASN  29 222.971  23.930  -5.524
  180   2HB   ASN  29          2HB       ASN  29 223.494  25.594  -5.298
  181   1HD2  ASN  29          2HD2      ASN  29 226.731  24.624  -4.226
  182   2HD2  ASN  29          1HD2      ASN  29 225.654  25.919  -4.710
  183    HA   PRO  30           HA       PRO  30 220.445  21.424  -1.820
  184   1HB   PRO  30          1HB       PRO  30 219.592  19.759  -3.911
  185   2HB   PRO  30          2HB       PRO  30 218.648  21.076  -3.174
  186   1HG   PRO  30          1HG       PRO  30 220.370  21.197  -5.666
  187   2HG   PRO  30          2HG       PRO  30 218.695  21.781  -5.458
  188   1HD   PRO  30          1HD       PRO  30 220.722  23.514  -5.300
  189   2HD   PRO  30          2HD       PRO  30 219.432  23.610  -4.071
  190    H    TYR  31           H        TYR  31 222.883  21.157  -4.372
  191    HA   TYR  31           HA       TYR  31 223.759  18.491  -3.683
  192   1HB   TYR  31          2HB       TYR  31 225.594  20.517  -4.929
  193   2HB   TYR  31          1HB       TYR  31 225.465  18.804  -5.253
  194    HD1  TYR  31           HD1      TYR  31 222.465  18.629  -5.909
  195    HD2  TYR  31           HD2      TYR  31 225.520  21.459  -7.064
  196    HE1  TYR  31           HE1      TYR  31 221.135  19.260  -7.918
  197    HE2  TYR  31           HE2      TYR  31 224.193  22.062  -9.075
  198    HH   TYR  31           HH       TYR  31 222.414  21.509 -10.351
  199    H    ALA  32           H        ALA  32 224.837  21.715  -2.774
  200    HA   ALA  32           HA       ALA  32 226.886  20.623  -0.896
  201   1HB   ALA  32          2HB       ALA  32 227.662  21.711  -3.014
  202   2HB   ALA  32          3HB       ALA  32 226.951  23.223  -2.436
  203   3HB   ALA  32          1HB       ALA  32 228.250  22.454  -1.515
  204    H    SER  33           H        SER  33 226.191  20.800   1.132
  205    HA   SER  33           HA       SER  33 225.834  23.527   2.239
  206   1HB   SER  33          1HB       SER  33 225.121  21.475   3.543
  207   2HB   SER  33          2HB       SER  33 226.836  21.091   3.753
  208    HG   SER  33           HG       SER  33 227.016  22.939   5.017
  209    H    GLN  34           H        GLN  34 227.552  24.870   1.905
  210    HA   GLN  34           HA       GLN  34 229.904  23.650   0.561
  211   1HB   GLN  34          2HB       GLN  34 227.927  24.588  -0.719
  212   2HB   GLN  34          1HB       GLN  34 228.365  26.174  -0.110
  213   1HG   GLN  34          1HG       GLN  34 230.610  25.959  -1.232
  214   2HG   GLN  34          2HG       GLN  34 230.167  24.343  -1.784
  215   1HE2  GLN  34          2HE2      GLN  34 228.843  27.510  -3.879
  216   2HE2  GLN  34          1HE2      GLN  34 229.690  27.778  -2.352
  217    H    CYS  35           H        CYS  35 231.929  24.390   0.904
  218    HA   CYS  35           HA       CYS  35 232.710  26.416   2.756
  219   1HB   CYS  35          2HB       CYS  35 234.279  25.323   0.396
  220   2HB   CYS  35          1HB       CYS  35 234.904  26.256   1.740
  221    H    LEU  36           H        LEU  36 231.173  28.105   2.171
  222    HA   LEU  36           HA       LEU  36 232.390  30.118   0.342
  223   1HB   LEU  36          1HB       LEU  36 230.367  30.447   2.591
  224   2HB   LEU  36          2HB       LEU  36 230.927  31.703   1.482
  225    HG   LEU  36           HG       LEU  36 229.269  29.241   0.761
  226   1HD1  LEU  36          1HD2      LEU  36 228.657  32.233   0.875
  227   2HD1  LEU  36          2HD2      LEU  36 227.567  31.014   0.202
  228   3HD1  LEU  36          3HD2      LEU  36 227.992  30.962   1.919
  229   1HD2  LEU  36          1HD1      LEU  36 230.416  31.430  -1.035
  230   2HD2  LEU  36          2HD1      LEU  36 230.702  29.679  -1.149
  231   3HD2  LEU  36          3HD1      LEU  36 229.105  30.339  -1.518
   
  No H/Q in entry =         231
  Start of MODEL   10
    1   1H    THR   1          2H        THR   1 244.044  21.159  -0.604
    2   2H    THR   1          3H        THR   1 244.272  22.776  -0.369
    3   3H    THR   1          1H        THR   1 244.697  21.726   0.820
    4    HA   THR   1           HA       THR   1 242.397  21.281   1.273
    5    HB   THR   1           HB       THR   1 241.601  23.740   1.672
    6    HG1  THR   1           HG1      THR   1 243.137  25.292   1.127
    7   1HG2  THR   1          3HG2      THR   1 244.430  23.041   2.633
    8   2HG2  THR   1          1HG2      THR   1 243.342  24.252   3.327
    9   3HG2  THR   1          2HG2      THR   1 242.910  22.544   3.415
   10    H    GLN   2           H        GLN   2 240.101  21.733   0.816
   11    HA   GLN   2           HA       GLN   2 239.309  21.984  -1.985
   12   1HB   GLN   2          2HB       GLN   2 238.190  20.458  -0.477
   13   2HB   GLN   2          1HB       GLN   2 237.786  21.756   0.645
   14   1HG   GLN   2          1HG       GLN   2 236.310  22.796  -0.999
   15   2HG   GLN   2          2HG       GLN   2 236.779  21.612  -2.230
   16   1HE2  GLN   2          2HE2      GLN   2 233.769  20.613   0.121
   17   2HE2  GLN   2          1HE2      GLN   2 234.393  22.269   0.169
   18    H    SER   3           H        SER   3 238.612  23.891  -2.970
   19    HA   SER   3           HA       SER   3 239.398  26.367  -1.581
   20   1HB   SER   3          1HB       SER   3 240.170  25.775  -3.887
   21   2HB   SER   3          2HB       SER   3 238.512  26.045  -4.466
   22    HG   SER   3           HG       SER   3 239.735  27.984  -4.638
   23    H    HIS   4           H        HIS   4 238.168  28.409  -2.362
   24    HA   HIS   4           HA       HIS   4 235.773  28.650  -0.908
   25   1HB   HIS   4          1HB       HIS   4 237.345  30.510  -1.616
   26   2HB   HIS   4          2HB       HIS   4 236.614  30.445  -3.220
   27    HD2  HIS   4           HD2      HIS   4 234.564  30.367   0.178
   28    HE1  HIS   4           HE1      HIS   4 233.811  34.042  -1.749
   29    HE2  HIS   4           HE2      HIS   4 233.210  32.565   0.270
   30    H    TYR   5           H        TYR   5 233.616  28.514  -1.405
   31    HA   TYR   5           HA       TYR   5 231.708  27.808  -2.349
   32   1HB   TYR   5          1HB       TYR   5 232.868  27.902  -5.135
   33   2HB   TYR   5          2HB       TYR   5 231.188  27.968  -4.656
   34    HD1  TYR   5           HD2      TYR   5 230.275  30.054  -3.497
   35    HD2  TYR   5           HD1      TYR   5 234.171  29.910  -5.358
   36    HE1  TYR   5           HE2      TYR   5 230.400  32.550  -3.468
   37    HE2  TYR   5           HE1      TYR   5 234.288  32.382  -5.301
   38    HH   TYR   5           HH       TYR   5 233.327  34.250  -4.551
   39    H    GLY   6           H        GLY   6 234.451  25.883  -2.390
   40   1HA   GLY   6          1HA       GLY   6 233.718  23.637  -3.925
   41   2HA   GLY   6          2HA       GLY   6 234.784  23.619  -2.530
   42    H    GLN   7           H        GLN   7 232.716  21.671  -3.472
   43    HA   GLN   7           HA       GLN   7 230.380  21.866  -1.833
   44   1HB   GLN   7          1HB       GLN   7 230.329  21.112  -4.067
   45   2HB   GLN   7          2HB       GLN   7 231.493  19.821  -3.773
   46   1HG   GLN   7          2HG       GLN   7 229.895  18.515  -2.536
   47   2HG   GLN   7          1HG       GLN   7 228.710  19.837  -2.537
   48   1HE2  GLN   7          2HE2      GLN   7 227.918  17.327  -5.268
   49   2HE2  GLN   7          1HE2      GLN   7 228.195  17.145  -3.536
   50    H    CYS   8           H        CYS   8 229.824  20.986   0.108
   51    HA   CYS   8           HA       CYS   8 231.070  18.399   0.961
   52   1HB   CYS   8          1HB       CYS   8 229.785  20.300   2.937
   53   2HB   CYS   8          2HB       CYS   8 230.853  18.949   3.224
   54    H    GLY   9           H        GLY   9 228.792  18.606  -0.810
   55   1HA   GLY   9          2HA       GLY   9 226.655  17.332   0.876
   56   2HA   GLY   9          1HA       GLY   9 226.231  18.519  -0.329
   57    H    GLY  10           H        GLY  10 225.013  16.240  -0.476
   58   1HA   GLY  10          1HA       GLY  10 226.336  13.899  -1.168
   59   2HA   GLY  10          2HA       GLY  10 224.608  14.175  -1.342
   60    H    ILE  11           H        ILE  11 224.601  16.025  -3.507
   61    HA   ILE  11           HA       ILE  11 224.364  14.106  -5.563
   62    HB   ILE  11           HB       ILE  11 224.311  17.116  -5.651
   63   1HG1  ILE  11          1HG1      ILE  11 222.485  16.010  -4.384
   64   2HG1  ILE  11          2HG1      ILE  11 221.917  16.859  -5.815
   65   1HG2  ILE  11          3HG2      ILE  11 223.734  15.204  -7.946
   66   2HG2  ILE  11          1HG2      ILE  11 223.206  16.900  -7.887
   67   3HG2  ILE  11          2HG2      ILE  11 224.923  16.516  -7.897
   68   1HD1  ILE  11          2HD1      ILE  11 221.685  14.716  -7.042
   69   2HD1  ILE  11          3HD1      ILE  11 222.197  13.832  -5.587
   70   3HD1  ILE  11          1HD1      ILE  11 220.713  14.781  -5.572
   71    H    GLY  12           H        GLY  12 225.887  12.998  -6.463
   72   1HA   GLY  12          1HA       GLY  12 227.702  12.367  -7.710
   73   2HA   GLY  12          2HA       GLY  12 227.892  14.041  -8.226
   74    H    TYR  13           H        TYR  13 228.123  12.786  -4.871
   75    HA   TYR  13           HA       TYR  13 231.021  13.526  -4.802
   76   1HB   TYR  13          1HB       TYR  13 228.942  15.171  -4.026
   77   2HB   TYR  13          2HB       TYR  13 229.261  14.355  -2.520
   78    HD1  TYR  13           HD1      TYR  13 231.041  16.012  -5.403
   79    HD2  TYR  13           HD2      TYR  13 230.892  15.462  -1.114
   80    HE1  TYR  13           HE1      TYR  13 232.924  17.618  -5.122
   81    HE2  TYR  13           HE2      TYR  13 232.774  17.075  -0.860
   82    HH   TYR  13           HH       TYR  13 234.034  18.691  -1.943
   83    H    SER  14           H        SER  14 231.880  13.320  -2.506
   84    HA   SER  14           HA       SER  14 231.009  10.860  -1.080
   85   1HB   SER  14          1HB       SER  14 233.230   9.916  -0.974
   86   2HB   SER  14          2HB       SER  14 232.734  10.127  -2.659
   87    HG   SER  14           HG       SER  14 234.836  10.921  -2.480
   88    H    GLY  15           H        GLY  15 233.990  12.661  -0.562
   89   1HA   GLY  15          2HA       GLY  15 233.005  14.763   1.038
   90   2HA   GLY  15          1HA       GLY  15 233.281  13.437   2.165
   91    HA   PRO  16           HA       PRO  16 237.742  14.892   1.078
   92   1HB   PRO  16          1HB       PRO  16 238.340  16.283  -1.177
   93   2HB   PRO  16          2HB       PRO  16 238.036  14.531  -1.234
   94   1HG   PRO  16          1HG       PRO  16 235.998  16.743  -1.734
   95   2HG   PRO  16          2HG       PRO  16 236.439  15.419  -2.851
   96   1HD   PRO  16          1HD       PRO  16 234.313  15.137  -1.207
   97   2HD   PRO  16          2HD       PRO  16 235.443  13.780  -1.453
   98    H    THR  17           H        THR  17 235.873  16.206   2.609
   99    HA   THR  17           HA       THR  17 235.306  18.927   1.925
  100    HB   THR  17           HB       THR  17 234.243  19.025   4.168
  101    HG1  THR  17           HG1      THR  17 235.071  16.344   4.529
  102   1HG2  THR  17          2HG2      THR  17 233.027  17.947   2.280
  103   2HG2  THR  17          3HG2      THR  17 233.637  16.368   2.811
  104   3HG2  THR  17          1HG2      THR  17 232.588  17.307   3.877
  105    H    VAL  18           H        VAL  18 238.263  18.485   2.272
  106    HA   VAL  18           HA       VAL  18 239.038  19.810   4.765
  107    HB   VAL  18           HB       VAL  18 240.841  19.156   2.407
  108   1HG1  VAL  18          3HG2      VAL  18 241.805  20.595   4.271
  109   2HG1  VAL  18          1HG2      VAL  18 241.395  19.311   5.413
  110   3HG1  VAL  18          2HG2      VAL  18 242.584  19.018   4.131
  111   1HG2  VAL  18          1HG1      VAL  18 239.978  17.326   4.687
  112   2HG2  VAL  18          2HG1      VAL  18 239.682  17.070   2.955
  113   3HG2  VAL  18          3HG1      VAL  18 241.330  17.010   3.579
  114    H    CYS  19           H        CYS  19 237.539  21.685   4.070
  115    HA   CYS  19           HA       CYS  19 238.134  23.536   2.083
  116   1HB   CYS  19          1HB       CYS  19 236.030  23.461   3.293
  117   2HB   CYS  19          2HB       CYS  19 236.834  23.980   4.774
  118    H    ALA  20           H        ALA  20 239.026  25.671   2.068
  119    HA   ALA  20           HA       ALA  20 241.512  26.199   3.494
  120   1HB   ALA  20          2HB       ALA  20 241.096  27.034   1.225
  121   2HB   ALA  20          3HB       ALA  20 239.733  28.007   1.819
  122   3HB   ALA  20          1HB       ALA  20 241.384  28.370   2.356
  123    H    SER  21           H        SER  21 240.518  25.691   5.607
  124    HA   SER  21           HA       SER  21 238.644  26.783   7.083
  125   1HB   SER  21          1HB       SER  21 240.336  25.168   7.907
  126   2HB   SER  21          2HB       SER  21 241.455  26.513   8.191
  127    HG   SER  21           HG       SER  21 238.836  26.371   9.337
  128    H    GLY  22           H        GLY  22 237.842  28.701   7.251
  129   1HA   GLY  22          2HA       GLY  22 238.455  31.206   8.114
  130   2HA   GLY  22          1HA       GLY  22 239.408  31.107   6.624
  131    H    THR  23           H        THR  23 238.024  29.752   4.870
  132    HA   THR  23           HA       THR  23 235.148  30.565   4.775
  133    HB   THR  23           HB       THR  23 235.050  29.422   2.638
  134    HG1  THR  23           HG1      THR  23 237.000  28.692   1.709
  135   1HG2  THR  23          1HG2      THR  23 237.460  31.299   2.773
  136   2HG2  THR  23          2HG2      THR  23 236.572  30.869   1.309
  137   3HG2  THR  23          3HG2      THR  23 235.764  31.784   2.598
  138    H    THR  24           H        THR  24 233.614  28.755   4.555
  139    HA   THR  24           HA       THR  24 234.173  26.791   6.736
  140    HB   THR  24           HB       THR  24 231.900  27.081   7.421
  141    HG1  THR  24           HG1      THR  24 231.631  28.857   5.221
  142   1HG2  THR  24          2HG2      THR  24 233.509  28.819   8.172
  143   2HG2  THR  24          3HG2      THR  24 233.082  29.819   6.769
  144   3HG2  THR  24          1HG2      THR  24 231.859  29.455   7.993
  145    H    CYS  25           H        CYS  25 231.154  26.184   5.434
  146    HA   CYS  25           HA       CYS  25 231.367  24.023   3.679
  147   1HB   CYS  25          1HB       CYS  25 233.075  23.022   5.228
  148   2HB   CYS  25          2HB       CYS  25 231.878  23.046   6.511
  149    H    GLN  26           H        GLN  26 229.392  25.717   3.984
  150    HA   GLN  26           HA       GLN  26 227.318  24.729   5.900
  151   1HB   GLN  26          1HB       GLN  26 228.825  26.648   6.461
  152   2HB   GLN  26          2HB       GLN  26 228.085  27.558   5.130
  153   1HG   GLN  26          1HG       GLN  26 225.892  27.470   6.286
  154   2HG   GLN  26          2HG       GLN  26 226.581  26.418   7.539
  155   1HE2  GLN  26          2HE2      GLN  26 228.487  29.833   8.132
  156   2HE2  GLN  26          1HE2      GLN  26 229.016  28.716   6.876
  157    H    VAL  27           H        VAL  27 225.145  24.994   5.485
  158    HA   VAL  27           HA       VAL  27 224.167  24.292   3.045
  159    HB   VAL  27           HB       VAL  27 221.921  24.752   3.931
  160   1HG1  VAL  27          2HG2      VAL  27 223.119  22.673   4.515
  161   2HG1  VAL  27          3HG2      VAL  27 223.777  23.452   5.972
  162   3HG1  VAL  27          1HG2      VAL  27 222.033  23.212   5.802
  163   1HG2  VAL  27          1HG1      VAL  27 223.394  26.045   6.281
  164   2HG2  VAL  27          2HG1      VAL  27 222.244  26.836   5.192
  165   3HG2  VAL  27          3HG1      VAL  27 221.685  25.574   6.282
  166    H    LEU  28           H        LEU  28 223.747  25.131   1.131
  167    HA   LEU  28           HA       LEU  28 221.952  27.377   1.038
  168   1HB   LEU  28          2HB       LEU  28 223.075  28.594  -0.835
  169   2HB   LEU  28          1HB       LEU  28 223.614  28.860   0.797
  170    HG   LEU  28           HG       LEU  28 225.702  28.304   0.435
  171   1HD1  LEU  28          3HD2      LEU  28 225.004  25.946  -1.347
  172   2HD1  LEU  28          1HD2      LEU  28 226.595  26.611  -1.128
  173   3HD1  LEU  28          2HD2      LEU  28 225.728  25.980   0.261
  174   1HD2  LEU  28          2HD1      LEU  28 225.199  29.885  -1.380
  175   2HD2  LEU  28          3HD1      LEU  28 226.499  28.788  -1.857
  176   3HD2  LEU  28          1HD1      LEU  28 224.862  28.535  -2.487
  177    H    ASN  29           H        ASN  29 223.410  26.487  -2.040
  178    HA   ASN  29           HA       ASN  29 221.025  25.459  -3.118
  179   1HB   ASN  29          2HB       ASN  29 222.384  24.589  -4.957
  180   2HB   ASN  29          1HB       ASN  29 222.923  26.195  -4.495
  181   1HD2  ASN  29          2HD2      ASN  29 226.197  25.047  -3.756
  182   2HD2  ASN  29          1HD2      ASN  29 225.121  26.421  -3.884
  183    HA   PRO  30           HA       PRO  30 220.376  21.447  -1.362
  184   1HB   PRO  30          1HB       PRO  30 219.287  19.996  -3.481
  185   2HB   PRO  30          2HB       PRO  30 218.428  21.234  -2.534
  186   1HG   PRO  30          1HG       PRO  30 219.883  21.609  -5.172
  187   2HG   PRO  30          2HG       PRO  30 218.224  22.124  -4.753
  188   1HD   PRO  30          1HD       PRO  30 220.220  23.890  -4.619
  189   2HD   PRO  30          2HD       PRO  30 219.050  23.837  -3.271
  190    H    TYR  31           H        TYR  31 222.429  21.536  -4.259
  191    HA   TYR  31           HA       TYR  31 223.423  18.839  -4.040
  192   1HB   TYR  31          2HB       TYR  31 224.893  21.183  -5.254
  193   2HB   TYR  31          1HB       TYR  31 225.054  19.484  -5.650
  194    HD1  TYR  31           HD2      TYR  31 221.841  19.077  -5.783
  195    HD2  TYR  31           HD1      TYR  31 224.658  21.825  -7.574
  196    HE1  TYR  31           HE2      TYR  31 220.351  19.336  -7.756
  197    HE2  TYR  31           HE1      TYR  31 223.109  22.146  -9.490
  198    HH   TYR  31           HH       TYR  31 221.103  21.634 -10.371
  199    H    ALA  32           H        ALA  32 224.386  21.846  -2.479
  200    HA   ALA  32           HA       ALA  32 226.677  20.518  -1.072
  201   1HB   ALA  32          2HB       ALA  32 227.377  21.677  -3.139
  202   2HB   ALA  32          3HB       ALA  32 226.757  23.194  -2.469
  203   3HB   ALA  32          1HB       ALA  32 228.082  22.349  -1.655
  204    H    SER  33           H        SER  33 226.199  20.614   1.071
  205    HA   SER  33           HA       SER  33 226.029  23.285   2.346
  206   1HB   SER  33          1HB       SER  33 225.565  21.138   3.628
  207   2HB   SER  33          2HB       SER  33 227.295  20.769   3.524
  208    HG   SER  33           HG       SER  33 227.664  22.430   4.927
  209    H    GLN  34           H        GLN  34 227.732  24.708   2.115
  210    HA   GLN  34           HA       GLN  34 229.948  23.737   0.368
  211   1HB   GLN  34          2HB       GLN  34 227.809  24.766  -0.536
  212   2HB   GLN  34          1HB       GLN  34 228.364  26.299   0.172
  213   1HG   GLN  34          1HG       GLN  34 230.378  26.216  -1.260
  214   2HG   GLN  34          2HG       GLN  34 229.909  24.617  -1.867
  215   1HE2  GLN  34          2HE2      GLN  34 228.302  27.828  -3.653
  216   2HE2  GLN  34          1HE2      GLN  34 229.465  28.048  -2.342
  217    H    CYS  35           H        CYS  35 231.903  24.669   0.330
  218    HA   CYS  35           HA       CYS  35 232.973  26.019   2.646
  219   1HB   CYS  35          1HB       CYS  35 234.157  24.289   1.503
  220   2HB   CYS  35          2HB       CYS  35 234.080  25.165  -0.025
  221    H    LEU  36           H        LEU  36 231.324  27.804   2.418
  222    HA   LEU  36           HA       LEU  36 232.223  30.165   0.858
  223   1HB   LEU  36          1HB       LEU  36 229.952  29.817   2.850
  224   2HB   LEU  36          2HB       LEU  36 230.306  31.280   1.929
  225    HG   LEU  36           HG       LEU  36 229.459  28.606   0.736
  226   1HD1  LEU  36          3HD2      LEU  36 227.666  29.821   1.962
  227   2HD1  LEU  36          1HD2      LEU  36 228.002  31.281   1.000
  228   3HD1  LEU  36          2HD2      LEU  36 227.381  29.820   0.210
  229   1HD2  LEU  36          1HD1      LEU  36 230.039  31.307  -0.585
  230   2HD2  LEU  36          2HD1      LEU  36 230.912  29.784  -0.866
  231   3HD2  LEU  36          3HD1      LEU  36 229.225  29.946  -1.378
   
  No H/Q in entry =         231
  Start of MODEL   11
    1   1H    THR   1          1H        THR   1 243.809  20.032   0.419
    2   2H    THR   1          2H        THR   1 244.468  21.516   0.670
    3   3H    THR   1          3H        THR   1 244.351  20.476   1.935
    4    HA   THR   1           HA       THR   1 241.962  20.719   1.916
    5    HB   THR   1           HB       THR   1 241.857  23.313   2.226
    6    HG1  THR   1           HG1      THR   1 243.940  24.292   2.062
    7   1HG2  THR   1          3HG2      THR   1 244.126  21.902   3.719
    8   2HG2  THR   1          1HG2      THR   1 243.307  23.400   4.177
    9   3HG2  THR   1          2HG2      THR   1 242.407  21.885   4.169
   10    H    GLN   2           H        GLN   2 240.088  22.169   1.088
   11    HA   GLN   2           HA       GLN   2 240.258  22.680  -1.869
   12   1HB   GLN   2          2HB       GLN   2 238.636  21.023  -1.487
   13   2HB   GLN   2          1HB       GLN   2 237.988  21.828  -0.063
   14   1HG   GLN   2          1HG       GLN   2 236.464  21.955  -2.003
   15   2HG   GLN   2          2HG       GLN   2 236.907  23.531  -1.368
   16   1HE2  GLN   2          2HE2      GLN   2 237.444  24.502  -4.700
   17   2HE2  GLN   2          1HE2      GLN   2 236.662  24.852  -3.157
   18    H    SER   3           H        SER   3 239.502  24.639  -2.702
   19    HA   SER   3           HA       SER   3 239.557  26.965  -0.849
   20   1HB   SER   3          1HB       SER   3 241.065  26.815  -2.853
   21   2HB   SER   3          2HB       SER   3 239.637  26.926  -3.883
   22    HG   SER   3           HG       SER   3 240.673  28.871  -2.077
   23    H    HIS   4           H        HIS   4 238.187  28.828  -2.360
   24    HA   HIS   4           HA       HIS   4 235.737  28.668  -1.007
   25   1HB   HIS   4          1HB       HIS   4 237.092  30.725  -1.774
   26   2HB   HIS   4          2HB       HIS   4 236.257  30.584  -3.321
   27    HD2  HIS   4           HD2      HIS   4 234.855  30.401   0.411
   28    HE1  HIS   4           HE1      HIS   4 232.830  33.474  -1.633
   29    HE2  HIS   4           HE2      HIS   4 233.101  32.230   0.639
   30    H    TYR   5           H        TYR   5 233.543  28.699  -1.660
   31    HA   TYR   5           HA       TYR   5 231.723  27.771  -2.570
   32   1HB   TYR   5          2HB       TYR   5 233.087  28.090  -5.246
   33   2HB   TYR   5          1HB       TYR   5 231.364  27.914  -4.974
   34    HD1  TYR   5           HD1      TYR   5 230.607  29.780  -2.890
   35    HD2  TYR   5           HD2      TYR   5 233.499  30.262  -6.074
   36    HE1  TYR   5           HE1      TYR   5 230.235  32.239  -2.879
   37    HE2  TYR   5           HE2      TYR   5 233.109  32.711  -6.044
   38    HH   TYR   5           HH       TYR   5 231.986  34.396  -5.105
   39    H    GLY   6           H        GLY   6 234.386  25.897  -2.398
   40   1HA   GLY   6          1HA       GLY   6 233.895  23.561  -3.862
   41   2HA   GLY   6          2HA       GLY   6 234.618  23.616  -2.255
   42    H    GLN   7           H        GLN   7 232.343  21.933  -3.798
   43    HA   GLN   7           HA       GLN   7 230.083  21.965  -2.024
   44   1HB   GLN   7          1HB       GLN   7 229.896  21.177  -4.270
   45   2HB   GLN   7          2HB       GLN   7 231.158  19.964  -4.050
   46   1HG   GLN   7          2HG       GLN   7 229.725  18.610  -2.622
   47   2HG   GLN   7          1HG       GLN   7 228.479  19.869  -2.594
   48   1HE2  GLN   7          2HE2      GLN   7 227.223  17.421  -5.014
   49   2HE2  GLN   7          1HE2      GLN   7 227.381  17.636  -3.271
   50    H    CYS   8           H        CYS   8 229.974  21.222   0.090
   51    HA   CYS   8           HA       CYS   8 231.524  18.767   0.831
   52   1HB   CYS   8          1HB       CYS   8 230.538  20.639   2.965
   53   2HB   CYS   8          2HB       CYS   8 231.911  19.546   2.958
   54    H    GLY   9           H        GLY   9 229.132  18.527  -0.573
   55   1HA   GLY   9          1HA       GLY   9 227.182  17.449   1.409
   56   2HA   GLY   9          2HA       GLY   9 226.652  18.722   0.313
   57    H    GLY  10           H        GLY  10 225.451  16.245   0.489
   58   1HA   GLY  10          1HA       GLY  10 226.459  14.002  -0.572
   59   2HA   GLY  10          2HA       GLY  10 224.737  14.347  -0.532
   60    H    ILE  11           H        ILE  11 224.206  15.961  -2.678
   61    HA   ILE  11           HA       ILE  11 223.940  13.878  -4.557
   62    HB   ILE  11           HB       ILE  11 223.385  16.809  -4.922
   63   1HG1  ILE  11          2HG1      ILE  11 221.677  14.369  -4.204
   64   2HG1  ILE  11          1HG1      ILE  11 222.077  15.719  -3.137
   65   1HG2  ILE  11          2HG2      ILE  11 223.693  15.772  -7.145
   66   2HG2  ILE  11          3HG2      ILE  11 222.542  14.493  -6.705
   67   3HG2  ILE  11          1HG2      ILE  11 222.018  16.184  -6.863
   68   1HD1  ILE  11          2HD1      ILE  11 220.761  17.245  -4.631
   69   2HD1  ILE  11          3HD1      ILE  11 220.247  15.821  -5.570
   70   3HD1  ILE  11          1HD1      ILE  11 219.807  15.967  -3.870
   71    H    GLY  12           H        GLY  12 225.494  12.918  -5.557
   72   1HA   GLY  12          1HA       GLY  12 226.941  12.498  -7.334
   73   2HA   GLY  12          2HA       GLY  12 227.120  14.223  -7.635
   74    H    TYR  13           H        TYR  13 227.678  13.118  -4.340
   75    HA   TYR  13           HA       TYR  13 230.584  13.686  -4.733
   76   1HB   TYR  13          1HB       TYR  13 228.724  15.510  -4.105
   77   2HB   TYR  13          2HB       TYR  13 228.980  14.880  -2.497
   78    HD1  TYR  13           HD1      TYR  13 230.701  16.189  -5.547
   79    HD2  TYR  13           HD2      TYR  13 230.927  15.708  -1.249
   80    HE1  TYR  13           HE1      TYR  13 232.693  17.687  -5.472
   81    HE2  TYR  13           HE2      TYR  13 232.949  17.162  -1.214
   82    HH   TYR  13           HH       TYR  13 233.635  19.026  -2.459
   83    H    SER  14           H        SER  14 231.853  12.147  -3.955
   84    HA   SER  14           HA       SER  14 231.581  11.470  -1.034
   85   1HB   SER  14          1HB       SER  14 232.649   9.368  -1.394
   86   2HB   SER  14          2HB       SER  14 231.313   9.477  -2.547
   87    HG   SER  14           HG       SER  14 234.081   9.968  -3.052
   88    H    GLY  15           H        GLY  15 232.665  13.892  -1.811
   89   1HA   GLY  15          1HA       GLY  15 235.575  13.711  -2.120
   90   2HA   GLY  15          2HA       GLY  15 234.587  15.146  -2.150
   91    HA   PRO  16           HA       PRO  16 236.086  14.522   2.410
   92   1HB   PRO  16          1HB       PRO  16 238.755  14.097   2.651
   93   2HB   PRO  16          2HB       PRO  16 237.631  12.765   2.298
   94   1HG   PRO  16          2HG       PRO  16 239.263  14.372   0.296
   95   2HG   PRO  16          1HG       PRO  16 239.206  12.596   0.467
   96   1HD   PRO  16          1HD       PRO  16 237.662  13.922  -1.342
   97   2HD   PRO  16          2HD       PRO  16 237.028  12.484  -0.482
   98    H    THR  17           H        THR  17 235.392  16.798   1.319
   99    HA   THR  17           HA       THR  17 237.582  18.701   0.967
  100    HB   THR  17           HB       THR  17 235.754  20.395   0.711
  101    HG1  THR  17           HG1      THR  17 234.052  19.536   1.773
  102   1HG2  THR  17          2HG2      THR  17 236.790  19.112  -1.186
  103   2HG2  THR  17          3HG2      THR  17 235.470  17.930  -1.042
  104   3HG2  THR  17          1HG2      THR  17 235.125  19.635  -1.433
  105    H    VAL  18           H        VAL  18 238.372  17.993   3.182
  106    HA   VAL  18           HA       VAL  18 237.808  19.819   5.376
  107    HB   VAL  18           HB       VAL  18 240.453  18.607   4.475
  108   1HG1  VAL  18          1HG2      VAL  18 239.637  19.908   7.123
  109   2HG1  VAL  18          2HG2      VAL  18 241.184  19.103   6.800
  110   3HG1  VAL  18          3HG2      VAL  18 240.778  20.599   5.954
  111   1HG2  VAL  18          1HG1      VAL  18 238.462  17.711   6.614
  112   2HG2  VAL  18          2HG1      VAL  18 238.794  16.860   5.094
  113   3HG2  VAL  18          3HG1      VAL  18 240.056  16.991   6.321
  114    H    CYS  19           H        CYS  19 237.191  21.732   4.401
  115    HA   CYS  19           HA       CYS  19 238.609  22.920   2.267
  116   1HB   CYS  19          1HB       CYS  19 236.030  23.025   3.210
  117   2HB   CYS  19          2HB       CYS  19 236.588  24.641   3.629
  118    H    ALA  20           H        ALA  20 238.918  25.461   2.231
  119    HA   ALA  20           HA       ALA  20 241.303  26.005   3.712
  120   1HB   ALA  20          2HB       ALA  20 240.956  26.826   1.454
  121   2HB   ALA  20          3HB       ALA  20 239.574  27.811   1.984
  122   3HB   ALA  20          1HB       ALA  20 241.207  28.186   2.557
  123    H    SER  21           H        SER  21 240.179  25.555   5.850
  124    HA   SER  21           HA       SER  21 238.535  26.810   7.428
  125   1HB   SER  21          1HB       SER  21 240.220  25.182   8.199
  126   2HB   SER  21          2HB       SER  21 241.425  26.482   8.293
  127    HG   SER  21           HG       SER  21 238.936  26.496   9.713
  128    H    GLY  22           H        GLY  22 237.813  28.781   7.210
  129   1HA   GLY  22          2HA       GLY  22 238.551  31.342   7.884
  130   2HA   GLY  22          1HA       GLY  22 239.524  31.020   6.437
  131    H    THR  23           H        THR  23 238.146  29.639   4.811
  132    HA   THR  23           HA       THR  23 235.304  30.499   4.488
  133    HB   THR  23           HB       THR  23 235.188  29.141   2.566
  134    HG1  THR  23           HG1      THR  23 236.777  27.727   1.950
  135   1HG2  THR  23          3HG2      THR  23 237.929  30.489   2.473
  136   2HG2  THR  23          1HG2      THR  23 236.993  29.946   1.076
  137   3HG2  THR  23          2HG2      THR  23 236.360  31.244   2.116
  138    H    THR  24           H        THR  24 233.845  28.528   4.250
  139    HA   THR  24           HA       THR  24 234.218  26.644   6.559
  140    HB   THR  24           HB       THR  24 231.946  27.102   7.169
  141    HG1  THR  24           HG1      THR  24 231.882  28.841   4.910
  142   1HG2  THR  24          2HG2      THR  24 233.674  28.766   7.922
  143   2HG2  THR  24          3HG2      THR  24 233.261  29.777   6.519
  144   3HG2  THR  24          1HG2      THR  24 232.044  29.456   7.760
  145    H    CYS  25           H        CYS  25 231.230  26.207   5.253
  146    HA   CYS  25           HA       CYS  25 231.211  24.124   3.443
  147   1HB   CYS  25          1HB       CYS  25 232.390  23.142   6.037
  148   2HB   CYS  25          2HB       CYS  25 231.278  22.092   5.181
  149    H    GLN  26           H        GLN  26 229.244  25.812   3.927
  150    HA   GLN  26           HA       GLN  26 227.089  24.383   5.415
  151   1HB   GLN  26          1HB       GLN  26 226.563  26.202   6.844
  152   2HB   GLN  26          2HB       GLN  26 228.212  25.655   7.049
  153   1HG   GLN  26          2HG       GLN  26 228.514  27.941   7.114
  154   2HG   GLN  26          1HG       GLN  26 228.877  27.619   5.421
  155   1HE2  GLN  26          2HE2      GLN  26 226.728  30.478   5.143
  156   2HE2  GLN  26          1HE2      GLN  26 228.428  30.045   5.370
  157    H    VAL  27           H        VAL  27 224.933  25.731   5.345
  158    HA   VAL  27           HA       VAL  27 224.342  24.647   2.804
  159    HB   VAL  27           HB       VAL  27 222.006  24.729   3.489
  160   1HG1  VAL  27          2HG2      VAL  27 223.510  22.912   4.276
  161   2HG1  VAL  27          3HG2      VAL  27 223.832  23.836   5.760
  162   3HG1  VAL  27          1HG2      VAL  27 222.198  23.260   5.409
  163   1HG2  VAL  27          2HG1      VAL  27 221.914  26.891   4.684
  164   2HG2  VAL  27          3HG1      VAL  27 221.364  25.582   5.726
  165   3HG2  VAL  27          1HG1      VAL  27 222.984  26.266   5.947
  166    H    LEU  28           H        LEU  28 223.524  25.262   0.952
  167    HA   LEU  28           HA       LEU  28 221.715  27.491   0.791
  168   1HB   LEU  28          2HB       LEU  28 222.740  28.726  -1.074
  169   2HB   LEU  28          1HB       LEU  28 223.529  28.906   0.469
  170    HG   LEU  28           HG       LEU  28 224.892  26.723  -0.833
  171   1HD1  LEU  28          3HD2      LEU  28 223.906  27.573  -2.974
  172   2HD1  LEU  28          1HD2      LEU  28 224.610  29.164  -2.649
  173   3HD1  LEU  28          2HD2      LEU  28 225.665  27.769  -2.911
  174   1HD2  LEU  28          2HD1      LEU  28 225.832  28.306   0.795
  175   2HD2  LEU  28          3HD1      LEU  28 226.813  28.215  -0.668
  176   3HD2  LEU  28          1HD1      LEU  28 225.746  29.605  -0.421
  177    H    ASN  29           H        ASN  29 223.532  25.581  -1.697
  178    HA   ASN  29           HA       ASN  29 220.928  25.023  -3.023
  179   1HB   ASN  29          1HB       ASN  29 222.163  24.273  -4.940
  180   2HB   ASN  29          2HB       ASN  29 222.714  25.867  -4.452
  181   1HD2  ASN  29          2HD2      ASN  29 226.049  24.701  -4.124
  182   2HD2  ASN  29          1HD2      ASN  29 224.977  26.092  -4.070
  183    HA   PRO  30           HA       PRO  30 220.359  21.041  -1.278
  184   1HB   PRO  30          1HB       PRO  30 219.386  19.508  -3.420
  185   2HB   PRO  30          2HB       PRO  30 218.450  20.685  -2.468
  186   1HG   PRO  30          1HG       PRO  30 219.884  21.167  -5.096
  187   2HG   PRO  30          2HG       PRO  30 218.203  21.591  -4.667
  188   1HD   PRO  30          1HD       PRO  30 220.081  23.475  -4.510
  189   2HD   PRO  30          2HD       PRO  30 218.947  23.308  -3.141
  190    H    TYR  31           H        TYR  31 222.478  21.148  -4.125
  191    HA   TYR  31           HA       TYR  31 223.629  18.528  -3.706
  192   1HB   TYR  31          2HB       TYR  31 225.160  20.724  -5.056
  193   2HB   TYR  31          1HB       TYR  31 225.073  19.025  -5.459
  194    HD1  TYR  31           HD1      TYR  31 222.102  18.626  -5.815
  195    HD2  TYR  31           HD2      TYR  31 224.714  21.823  -7.076
  196    HE1  TYR  31           HE1      TYR  31 220.472  19.270  -7.594
  197    HE2  TYR  31           HE2      TYR  31 223.104  22.425  -8.869
  198    HH   TYR  31           HH       TYR  31 221.209  21.844  -9.933
  199    H    ALA  32           H        ALA  32 224.530  21.784  -2.719
  200    HA   ALA  32           HA       ALA  32 226.880  20.775  -1.166
  201   1HB   ALA  32          2HB       ALA  32 227.338  22.018  -3.254
  202   2HB   ALA  32          3HB       ALA  32 226.541  23.433  -2.549
  203   3HB   ALA  32          1HB       ALA  32 227.998  22.775  -1.795
  204    H    SER  33           H        SER  33 226.283  20.671   0.908
  205    HA   SER  33           HA       SER  33 226.026  23.212   2.392
  206   1HB   SER  33          1HB       SER  33 225.703  20.936   3.468
  207   2HB   SER  33          2HB       SER  33 227.440  20.656   3.286
  208    HG   SER  33           HG       SER  33 227.779  22.266   4.799
  209    H    GLN  34           H        GLN  34 227.481  24.754   1.698
  210    HA   GLN  34           HA       GLN  34 229.802  23.853   0.077
  211   1HB   GLN  34          1HB       GLN  34 227.845  24.920  -1.007
  212   2HB   GLN  34          2HB       GLN  34 228.085  26.359  -0.017
  213   1HG   GLN  34          2HG       GLN  34 230.210  26.848  -1.081
  214   2HG   GLN  34          1HG       GLN  34 230.232  25.272  -1.878
  215   1HE2  GLN  34          2HE2      GLN  34 228.745  26.763  -4.707
  216   2HE2  GLN  34          1HE2      GLN  34 229.870  25.552  -4.088
  217    H    CYS  35           H        CYS  35 231.797  24.869   0.070
  218    HA   CYS  35           HA       CYS  35 232.692  26.315   2.412
  219   1HB   CYS  35          2HB       CYS  35 234.142  26.182  -0.236
  220   2HB   CYS  35          1HB       CYS  35 234.784  26.474   1.385
  221    H    LEU  36           H        LEU  36 230.867  27.949   2.265
  222    HA   LEU  36           HA       LEU  36 231.511  30.435   0.827
  223   1HB   LEU  36          2HB       LEU  36 229.833  29.818   3.293
  224   2HB   LEU  36          1HB       LEU  36 230.041  31.438   2.631
  225    HG   LEU  36           HG       LEU  36 228.838  29.147   1.010
  226   1HD1  LEU  36          1HD2      LEU  36 227.575  31.270   2.795
  227   2HD1  LEU  36          2HD2      LEU  36 226.667  30.458   1.521
  228   3HD1  LEU  36          3HD2      LEU  36 227.351  29.505   2.838
  229   1HD2  LEU  36          1HD1      LEU  36 228.889  32.179   0.598
  230   2HD2  LEU  36          2HD1      LEU  36 229.741  30.975  -0.393
  231   3HD2  LEU  36          3HD1      LEU  36 227.980  31.025  -0.395
   
  No H/Q in entry =         231
  Start of MODEL   12
    1   1H    THR   1          1H        THR   1 245.694  22.096  -0.366
    2   2H    THR   1          2H        THR   1 245.481  22.660   1.168
    3   3H    THR   1          3H        THR   1 245.183  21.075   0.856
    4    HA   THR   1           HA       THR   1 243.221  21.679  -0.362
    5    HB   THR   1           HB       THR   1 242.044  23.111   1.476
    6    HG1  THR   1           HG1      THR   1 243.329  23.563   3.247
    7   1HG2  THR   1          2HG2      THR   1 242.099  20.608   1.624
    8   2HG2  THR   1          3HG2      THR   1 243.657  20.699   2.474
    9   3HG2  THR   1          1HG2      THR   1 242.204  21.381   3.206
   10    H    GLN   2           H        GLN   2 241.688  23.409  -1.047
   11    HA   GLN   2           HA       GLN   2 242.934  25.981  -1.871
   12   1HB   GLN   2          1HB       GLN   2 241.032  26.263  -3.260
   13   2HB   GLN   2          2HB       GLN   2 241.501  24.573  -3.429
   14   1HG   GLN   2          1HG       GLN   2 239.689  24.125  -1.562
   15   2HG   GLN   2          2HG       GLN   2 239.136  25.760  -1.908
   16   1HE2  GLN   2          2HE2      GLN   2 237.330  24.681  -4.719
   17   2HE2  GLN   2          1HE2      GLN   2 237.732  26.026  -3.658
   18    H    SER   3           H        SER   3 241.213  27.854  -1.525
   19    HA   SER   3           HA       SER   3 240.385  27.986   1.353
   20   1HB   SER   3          1HB       SER   3 241.710  29.851   0.526
   21   2HB   SER   3          2HB       SER   3 240.572  30.123  -0.798
   22    HG   SER   3           HG       SER   3 239.894  30.271   1.976
   23    H    HIS   4           H        HIS   4 238.360  30.010  -0.210
   24    HA   HIS   4           HA       HIS   4 235.942  28.819   0.074
   25   1HB   HIS   4          2HB       HIS   4 236.948  30.836  -1.986
   26   2HB   HIS   4          1HB       HIS   4 235.259  30.341  -1.932
   27    HD2  HIS   4           HD2      HIS   4 233.686  31.124   0.053
   28    HE1  HIS   4           HE1      HIS   4 236.514  33.611   1.971
   29    HE2  HIS   4           HE2      HIS   4 234.057  32.775   2.015
   30    H    TYR   5           H        TYR   5 234.302  28.103  -1.260
   31    HA   TYR   5           HA       TYR   5 233.170  27.011  -2.845
   32   1HB   TYR   5          1HB       TYR   5 235.457  27.511  -4.740
   33   2HB   TYR   5          2HB       TYR   5 233.754  27.352  -5.127
   34    HD1  TYR   5           HD2      TYR   5 232.329  29.161  -3.344
   35    HD2  TYR   5           HD1      TYR   5 236.225  29.698  -5.140
   36    HE1  TYR   5           HE2      TYR   5 232.066  31.630  -3.201
   37    HE2  TYR   5           HE1      TYR   5 235.969  32.161  -4.925
   38    HH   TYR   5           HH       TYR   5 234.713  33.830  -4.021
   39    H    GLY   6           H        GLY   6 233.888  25.179  -1.299
   40   1HA   GLY   6          1HA       GLY   6 234.273  22.790  -3.059
   41   2HA   GLY   6          2HA       GLY   6 235.142  22.893  -1.526
   42    H    GLN   7           H        GLN   7 232.801  21.134  -2.664
   43    HA   GLN   7           HA       GLN   7 230.472  21.818  -1.082
   44   1HB   GLN   7          1HB       GLN   7 230.117  20.909  -3.207
   45   2HB   GLN   7          2HB       GLN   7 231.130  19.494  -2.907
   46   1HG   GLN   7          2HG       GLN   7 229.554  18.576  -1.312
   47   2HG   GLN   7          1HG       GLN   7 228.592  20.059  -1.313
   48   1HE2  GLN   7          2HE2      GLN   7 227.419  17.219  -3.750
   49   2HE2  GLN   7          1HE2      GLN   7 228.297  16.965  -2.244
   50    H    CYS   8           H        CYS   8 229.956  21.279   0.940
   51    HA   CYS   8           HA       CYS   8 231.087  18.843   2.255
   52   1HB   CYS   8          1HB       CYS   8 229.774  21.098   3.748
   53   2HB   CYS   8          2HB       CYS   8 230.988  19.943   4.281
   54    H    GLY   9           H        GLY   9 229.272  18.007   0.608
   55   1HA   GLY   9          2HA       GLY   9 226.774  17.481   2.102
   56   2HA   GLY   9          1HA       GLY   9 226.614  18.492   0.665
   57    H    GLY  10           H        GLY  10 225.308  16.050   1.070
   58   1HA   GLY  10          1HA       GLY  10 226.820  13.745   0.333
   59   2HA   GLY  10          2HA       GLY  10 225.101  13.811   0.665
   60    H    ILE  11           H        ILE  11 224.114  15.307  -1.532
   61    HA   ILE  11           HA       ILE  11 223.765  13.129  -3.307
   62    HB   ILE  11           HB       ILE  11 223.010  16.032  -3.652
   63   1HG1  ILE  11          2HG1      ILE  11 221.444  13.535  -2.822
   64   2HG1  ILE  11          1HG1      ILE  11 221.957  14.840  -1.750
   65   1HG2  ILE  11          1HG2      ILE  11 222.156  13.641  -5.346
   66   2HG2  ILE  11          2HG2      ILE  11 221.476  15.274  -5.449
   67   3HG2  ILE  11          3HG2      ILE  11 223.145  15.009  -5.897
   68   1HD1  ILE  11          2HD1      ILE  11 220.515  16.434  -3.063
   69   2HD1  ILE  11          3HD1      ILE  11 219.863  15.034  -3.949
   70   3HD1  ILE  11          1HD1      ILE  11 219.639  15.159  -2.205
   71    H    GLY  12           H        GLY  12 224.875  12.337  -4.933
   72   1HA   GLY  12          1HA       GLY  12 226.413  12.024  -6.615
   73   2HA   GLY  12          2HA       GLY  12 226.373  13.757  -6.928
   74    H    TYR  13           H        TYR  13 227.372  12.269  -3.836
   75    HA   TYR  13           HA       TYR  13 230.201  13.103  -4.282
   76   1HB   TYR  13          1HB       TYR  13 228.357  14.829  -3.293
   77   2HB   TYR  13          2HB       TYR  13 228.670  13.951  -1.814
   78    HD1  TYR  13           HD1      TYR  13 230.485  15.579  -4.694
   79    HD2  TYR  13           HD2      TYR  13 230.373  14.909  -0.420
   80    HE1  TYR  13           HE1      TYR  13 232.355  17.201  -4.374
   81    HE2  TYR  13           HE2      TYR  13 232.236  16.531  -0.128
   82    HH   TYR  13           HH       TYR  13 233.265  18.303  -1.165
   83    H    SER  14           H        SER  14 231.229  13.053  -1.940
   84    HA   SER  14           HA       SER  14 230.558  10.931  -0.152
   85   1HB   SER  14          2HB       SER  14 232.547   9.498  -0.376
   86   2HB   SER  14          1HB       SER  14 231.539   9.438  -1.821
   87    HG   SER  14           HG       SER  14 233.000  10.769  -2.883
   88    H    GLY  15           H        GLY  15 233.908  11.763  -0.735
   89   1HA   GLY  15          2HA       GLY  15 233.821  14.049   1.222
   90   2HA   GLY  15          1HA       GLY  15 234.892  12.692   1.523
   91    HA   PRO  16           HA       PRO  16 237.266  15.107  -1.896
   92   1HB   PRO  16          1HB       PRO  16 235.043  16.441  -3.455
   93   2HB   PRO  16          2HB       PRO  16 236.609  15.834  -4.038
   94   1HG   PRO  16          2HG       PRO  16 234.335  14.403  -4.426
   95   2HG   PRO  16          1HG       PRO  16 235.835  13.574  -3.924
   96   1HD   PRO  16          1HD       PRO  16 233.467  14.354  -2.197
   97   2HD   PRO  16          2HD       PRO  16 234.448  12.859  -2.253
   98    H    THR  17           H        THR  17 236.311  16.172   0.670
   99    HA   THR  17           HA       THR  17 235.646  19.013   0.394
  100    HB   THR  17           HB       THR  17 235.889  18.952   2.919
  101    HG1  THR  17           HG1      THR  17 236.062  16.868   3.810
  102   1HG2  THR  17          3HG2      THR  17 234.015  16.902   1.660
  103   2HG2  THR  17          1HG2      THR  17 233.858  17.596   3.285
  104   3HG2  THR  17          2HG2      THR  17 233.702  18.640   1.868
  105    H    VAL  18           H        VAL  18 237.791  19.005  -1.048
  106    HA   VAL  18           HA       VAL  18 240.308  19.287   0.348
  107    HB   VAL  18           HB       VAL  18 239.559  20.024  -2.507
  108   1HG1  VAL  18          3HG2      VAL  18 242.273  19.624  -1.184
  109   2HG1  VAL  18          1HG2      VAL  18 242.032  19.436  -2.929
  110   3HG1  VAL  18          2HG2      VAL  18 241.732  20.990  -2.203
  111   1HG2  VAL  18          1HG1      VAL  18 240.681  17.434  -1.331
  112   2HG2  VAL  18          2HG1      VAL  18 239.071  17.638  -2.040
  113   3HG2  VAL  18          3HG1      VAL  18 240.487  17.774  -3.062
  114    H    CYS  19           H        CYS  19 238.395  21.087   1.464
  115    HA   CYS  19           HA       CYS  19 239.070  23.883   0.704
  116   1HB   CYS  19          1HB       CYS  19 236.759  23.385   0.686
  117   2HB   CYS  19          2HB       CYS  19 236.846  22.450   2.181
  118    H    ALA  20           H        ALA  20 239.566  25.470   2.327
  119    HA   ALA  20           HA       ALA  20 240.923  24.451   4.805
  120   1HB   ALA  20          2HB       ALA  20 242.381  25.628   3.258
  121   2HB   ALA  20          3HB       ALA  20 241.331  27.058   3.320
  122   3HB   ALA  20          1HB       ALA  20 242.184  26.519   4.776
  123    H    SER  21           H        SER  21 239.520  24.437   6.481
  124    HA   SER  21           HA       SER  21 237.393  26.240   6.940
  125   1HB   SER  21          1HB       SER  21 237.704  24.065   8.132
  126   2HB   SER  21          2HB       SER  21 238.976  24.819   9.111
  127    HG   SER  21           HG       SER  21 236.285  25.781   8.877
  128    H    GLY  22           H        GLY  22 237.144  27.893   8.508
  129   1HA   GLY  22          2HA       GLY  22 238.146  30.148   9.240
  130   2HA   GLY  22          1HA       GLY  22 239.258  29.945   7.883
  131    H    THR  23           H        THR  23 237.768  28.875   5.950
  132    HA   THR  23           HA       THR  23 235.272  30.423   5.428
  133    HB   THR  23           HB       THR  23 235.083  29.152   3.374
  134    HG1  THR  23           HG1      THR  23 237.477  27.821   4.169
  135   1HG2  THR  23          3HG2      THR  23 237.937  30.183   3.736
  136   2HG2  THR  23          1HG2      THR  23 237.126  29.855   2.193
  137   3HG2  THR  23          2HG2      THR  23 236.506  31.121   3.268
  138    H    THR  24           H        THR  24 233.359  28.964   4.819
  139    HA   THR  24           HA       THR  24 232.817  27.244   7.203
  140    HB   THR  24           HB       THR  24 230.592  28.041   7.148
  141    HG1  THR  24           HG1      THR  24 231.267  29.398   4.745
  142   1HG2  THR  24          2HG2      THR  24 232.223  29.640   8.098
  143   2HG2  THR  24          3HG2      THR  24 232.337  30.448   6.523
  144   3HG2  THR  24          1HG2      THR  24 230.798  30.433   7.388
  145    H    CYS  25           H        CYS  25 230.162  26.612   5.889
  146    HA   CYS  25           HA       CYS  25 230.566  24.673   3.806
  147   1HB   CYS  25          1HB       CYS  25 230.530  23.679   6.673
  148   2HB   CYS  25          2HB       CYS  25 229.790  22.714   5.412
  149    H    GLN  26           H        GLN  26 228.886  26.357   3.298
  150    HA   GLN  26           HA       GLN  26 226.274  26.090   4.723
  151   1HB   GLN  26          1HB       GLN  26 227.658  27.956   5.338
  152   2HB   GLN  26          2HB       GLN  26 227.793  28.477   3.655
  153   1HG   GLN  26          1HG       GLN  26 225.443  29.150   3.621
  154   2HG   GLN  26          2HG       GLN  26 225.139  28.361   5.174
  155   1HE2  GLN  26          2HE2      GLN  26 227.545  31.592   5.707
  156   2HE2  GLN  26          1HE2      GLN  26 228.114  30.284   4.678
  157    H    VAL  27           H        VAL  27 224.343  26.497   3.739
  158    HA   VAL  27           HA       VAL  27 223.866  25.092   1.428
  159    HB   VAL  27           HB       VAL  27 221.526  25.841   1.645
  160   1HG1  VAL  27          3HG2      VAL  27 222.489  23.965   2.953
  161   2HG1  VAL  27          1HG2      VAL  27 222.828  25.089   4.292
  162   3HG1  VAL  27          2HG2      VAL  27 221.161  24.782   3.789
  163   1HG2  VAL  27          1HG1      VAL  27 222.534  27.652   3.897
  164   2HG2  VAL  27          2HG1      VAL  27 221.728  28.179   2.408
  165   3HG2  VAL  27          3HG1      VAL  27 220.848  27.228   3.590
  166    H    LEU  28           H        LEU  28 224.267  25.464  -0.666
  167    HA   LEU  28           HA       LEU  28 223.315  28.037  -1.911
  168   1HB   LEU  28          1HB       LEU  28 224.531  25.966  -3.655
  169   2HB   LEU  28          2HB       LEU  28 224.658  27.713  -3.703
  170    HG   LEU  28           HG       LEU  28 226.158  25.838  -1.825
  171   1HD1  LEU  28          3HD2      LEU  28 226.734  25.566  -4.228
  172   2HD1  LEU  28          1HD2      LEU  28 227.112  27.300  -4.327
  173   3HD1  LEU  28          2HD2      LEU  28 228.059  26.230  -3.283
  174   1HD2  LEU  28          1HD1      LEU  28 225.916  28.141  -0.870
  175   2HD2  LEU  28          2HD1      LEU  28 227.584  27.779  -1.310
  176   3HD2  LEU  28          3HD1      LEU  28 226.600  28.818  -2.359
  177    H    ASN  29           H        ASN  29 222.990  24.526  -2.185
  178    HA   ASN  29           HA       ASN  29 220.298  24.607  -3.395
  179   1HB   ASN  29          1HB       ASN  29 221.054  23.429  -5.459
  180   2HB   ASN  29          2HB       ASN  29 221.887  24.950  -5.282
  181   1HD2  ASN  29          2HD2      ASN  29 224.910  23.149  -5.704
  182   2HD2  ASN  29          1HD2      ASN  29 223.987  24.610  -6.074
  183    HA   PRO  30           HA       PRO  30 219.694  20.805  -1.204
  184   1HB   PRO  30          1HB       PRO  30 218.780  18.881  -3.068
  185   2HB   PRO  30          2HB       PRO  30 217.810  20.123  -2.243
  186   1HG   PRO  30          1HG       PRO  30 219.124  20.278  -4.970
  187   2HG   PRO  30          2HG       PRO  30 217.449  20.718  -4.529
  188   1HD   PRO  30          1HD       PRO  30 219.255  22.642  -4.768
  189   2HD   PRO  30          2HD       PRO  30 218.218  22.675  -3.335
  190    H    TYR  31           H        TYR  31 222.134  20.588  -3.680
  191    HA   TYR  31           HA       TYR  31 223.192  18.004  -2.642
  192   1HB   TYR  31          2HB       TYR  31 224.773  19.640  -4.570
  193   2HB   TYR  31          1HB       TYR  31 224.528  17.915  -4.511
  194    HD1  TYR  31           HD2      TYR  31 221.598  17.611  -4.824
  195    HD2  TYR  31           HD1      TYR  31 224.281  20.444  -6.674
  196    HE1  TYR  31           HE2      TYR  31 219.987  17.921  -6.692
  197    HE2  TYR  31           HE1      TYR  31 222.643  20.779  -8.519
  198    HH   TYR  31           HH       TYR  31 219.571  18.979  -8.635
  199    H    ALA  32           H        ALA  32 223.925  21.407  -2.831
  200    HA   ALA  32           HA       ALA  32 226.599  21.074  -1.633
  201   1HB   ALA  32          2HB       ALA  32 226.191  21.937  -3.974
  202   2HB   ALA  32          3HB       ALA  32 225.540  23.412  -3.235
  203   3HB   ALA  32          1HB       ALA  32 227.221  22.931  -2.940
  204    H    SER  33           H        SER  33 226.146  21.115   0.562
  205    HA   SER  33           HA       SER  33 225.818  23.875   1.658
  206   1HB   SER  33          1HB       SER  33 224.842  21.853   2.888
  207   2HB   SER  33          2HB       SER  33 226.498  21.440   3.342
  208    HG   SER  33           HG       SER  33 226.581  23.400   4.477
  209    H    GLN  34           H        GLN  34 227.606  25.019   1.025
  210    HA   GLN  34           HA       GLN  34 230.207  23.612   0.549
  211   1HB   GLN  34          1HB       GLN  34 228.899  23.774  -1.425
  212   2HB   GLN  34          2HB       GLN  34 228.459  25.440  -1.128
  213   1HG   GLN  34          1HG       GLN  34 231.377  24.847  -1.616
  214   2HG   GLN  34          2HG       GLN  34 230.267  24.725  -2.960
  215   1HE2  GLN  34          2HE2      GLN  34 230.456  28.188  -3.451
  216   2HE2  GLN  34          1HE2      GLN  34 230.312  26.600  -4.202
  217    H    CYS  35           H        CYS  35 232.160  24.844   0.460
  218    HA   CYS  35           HA       CYS  35 232.428  26.660   2.619
  219   1HB   CYS  35          2HB       CYS  35 234.437  26.058   0.425
  220   2HB   CYS  35          1HB       CYS  35 234.740  26.928   1.929
  221    H    LEU  36           H        LEU  36 230.873  28.244   2.234
  222    HA   LEU  36           HA       LEU  36 231.687  30.706   0.816
  223   1HB   LEU  36          1HB       LEU  36 229.557  30.198   2.909
  224   2HB   LEU  36          2HB       LEU  36 229.797  31.698   2.013
  225    HG   LEU  36           HG       LEU  36 228.943  29.012   0.815
  226   1HD1  LEU  36          3HD2      LEU  36 227.190  30.197   2.124
  227   2HD1  LEU  36          1HD2      LEU  36 227.452  31.658   1.157
  228   3HD1  LEU  36          2HD2      LEU  36 226.810  30.187   0.397
  229   1HD2  LEU  36          1HD1      LEU  36 229.516  31.702  -0.516
  230   2HD2  LEU  36          2HD1      LEU  36 230.288  30.136  -0.851
  231   3HD2  LEU  36          3HD1      LEU  36 228.599  30.391  -1.285
   
  No H/Q in entry =         231
  Start of MODEL   13
    1   1H    THR   1          3H        THR   1 244.018  23.354  -1.891
    2   2H    THR   1          1H        THR   1 244.191  24.630  -0.852
    3   3H    THR   1          2H        THR   1 244.878  23.198  -0.472
    4    HA   THR   1           HA       THR   1 242.730  22.270  -0.008
    5    HB   THR   1           HB       THR   1 241.947  24.024   1.743
    6    HG1  THR   1           HG1      THR   1 242.678  26.017   1.303
    7   1HG2  THR   1          2HG2      THR   1 243.802  22.403   2.358
    8   2HG2  THR   1          3HG2      THR   1 244.981  23.585   1.744
    9   3HG2  THR   1          1HG2      THR   1 243.945  23.994   3.111
   10    H    GLN   2           H        GLN   2 240.463  22.273  -0.246
   11    HA   GLN   2           HA       GLN   2 239.205  23.714  -2.440
   12   1HB   GLN   2          2HB       GLN   2 238.189  21.829  -0.276
   13   2HB   GLN   2          1HB       GLN   2 237.240  22.373  -1.658
   14   1HG   GLN   2          1HG       GLN   2 238.655  21.190  -3.227
   15   2HG   GLN   2          2HG       GLN   2 239.860  20.846  -1.988
   16   1HE2  GLN   2          2HE2      GLN   2 236.456  18.598  -1.937
   17   2HE2  GLN   2          1HE2      GLN   2 236.390  20.146  -2.785
   18    H    SER   3           H        SER   3 239.824  25.847  -1.340
   19    HA   SER   3           HA       SER   3 238.521  26.515   1.177
   20   1HB   SER   3          1HB       SER   3 240.269  28.366  -0.494
   21   2HB   SER   3          2HB       SER   3 239.917  28.428   1.237
   22    HG   SER   3           HG       SER   3 241.310  26.389  -0.217
   23    H    HIS   4           H        HIS   4 238.684  28.998  -1.400
   24    HA   HIS   4           HA       HIS   4 235.877  29.658  -0.978
   25   1HB   HIS   4          1HB       HIS   4 237.669  31.367  -1.436
   26   2HB   HIS   4          2HB       HIS   4 237.758  30.762  -3.092
   27    HD2  HIS   4           HD2      HIS   4 234.688  31.779  -0.760
   28    HE1  HIS   4           HE1      HIS   4 234.266  33.642  -4.542
   29    HE2  HIS   4           HE2      HIS   4 233.175  33.325  -2.256
   30    H    TYR   5           H        TYR   5 234.822  27.883  -1.506
   31    HA   TYR   5           HA       TYR   5 233.331  26.825  -2.869
   32   1HB   TYR   5          2HB       TYR   5 235.229  26.883  -5.207
   33   2HB   TYR   5          1HB       TYR   5 233.570  26.319  -5.192
   34    HD1  TYR   5           HD1      TYR   5 232.054  28.421  -3.748
   35    HD2  TYR   5           HD2      TYR   5 235.311  28.818  -6.572
   36    HE1  TYR   5           HE1      TYR   5 231.277  30.701  -4.342
   37    HE2  TYR   5           HE2      TYR   5 234.533  31.106  -7.126
   38    HH   TYR   5           HH       TYR   5 233.017  32.697  -6.715
   39    H    GLY   6           H        GLY   6 233.148  25.026  -1.894
   40   1HA   GLY   6          1HA       GLY   6 234.776  22.647  -2.393
   41   2HA   GLY   6          2HA       GLY   6 234.924  23.301  -0.757
   42    H    GLN   7           H        GLN   7 233.074  21.278  -2.756
   43    HA   GLN   7           HA       GLN   7 230.468  21.566  -1.570
   44   1HB   GLN   7          1HB       GLN   7 230.749  20.846  -3.833
   45   2HB   GLN   7          2HB       GLN   7 231.694  19.430  -3.350
   46   1HG   GLN   7          2HG       GLN   7 229.749  18.435  -2.246
   47   2HG   GLN   7          1HG       GLN   7 228.797  19.903  -2.520
   48   1HE2  GLN   7          2HE2      GLN   7 227.594  17.699  -5.109
   49   2HE2  GLN   7          1HE2      GLN   7 227.336  18.089  -3.411
   50    H    CYS   8           H        CYS   8 229.954  20.994   0.455
   51    HA   CYS   8           HA       CYS   8 230.665  18.272   1.509
   52   1HB   CYS   8          1HB       CYS   8 230.902  19.423   3.780
   53   2HB   CYS   8          2HB       CYS   8 232.187  19.678   2.611
   54    H    GLY   9           H        GLY   9 228.443  18.303   0.207
   55   1HA   GLY   9          2HA       GLY   9 226.257  18.334   2.270
   56   2HA   GLY   9          1HA       GLY   9 226.054  19.249   0.783
   57    H    GLY  10           H        GLY  10 227.529  16.025   0.935
   58   1HA   GLY  10          1HA       GLY  10 226.716  13.913   0.614
   59   2HA   GLY  10          2HA       GLY  10 225.098  14.542   0.865
   60    H    ILE  11           H        ILE  11 224.204  15.760  -1.233
   61    HA   ILE  11           HA       ILE  11 223.648  13.600  -2.931
   62    HB   ILE  11           HB       ILE  11 223.050  16.530  -3.347
   63   1HG1  ILE  11          1HG1      ILE  11 221.400  14.132  -2.398
   64   2HG1  ILE  11          2HG1      ILE  11 221.988  15.460  -1.391
   65   1HG2  ILE  11          2HG2      ILE  11 223.072  15.354  -5.576
   66   2HG2  ILE  11          3HG2      ILE  11 221.951  14.147  -4.913
   67   3HG2  ILE  11          1HG2      ILE  11 221.469  15.847  -5.107
   68   1HD1  ILE  11          2HD1      ILE  11 220.600  17.050  -2.787
   69   2HD1  ILE  11          3HD1      ILE  11 219.884  15.633  -3.590
   70   3HD1  ILE  11          1HD1      ILE  11 219.664  15.867  -1.857
   71    H    GLY  12           H        GLY  12 224.827  12.549  -4.309
   72   1HA   GLY  12          1HA       GLY  12 226.025  12.084  -6.267
   73   2HA   GLY  12          2HA       GLY  12 226.329  13.796  -6.521
   74    H    TYR  13           H        TYR  13 227.255  13.469  -3.414
   75    HA   TYR  13           HA       TYR  13 230.048  13.635  -4.354
   76   1HB   TYR  13          1HB       TYR  13 228.579  15.592  -3.550
   77   2HB   TYR  13          2HB       TYR  13 228.836  14.982  -1.929
   78    HD1  TYR  13           HD2      TYR  13 230.596  16.057  -5.072
   79    HD2  TYR  13           HD1      TYR  13 230.906  15.614  -0.780
   80    HE1  TYR  13           HE2      TYR  13 232.818  17.187  -5.097
   81    HE2  TYR  13           HE1      TYR  13 233.227  16.504  -0.870
   82    HH   TYR  13           HH       TYR  13 234.777  17.468  -2.163
   83    H    SER  14           H        SER  14 229.980  11.144  -3.886
   84    HA   SER  14           HA       SER  14 231.297  10.502  -1.281
   85   1HB   SER  14          1HB       SER  14 230.290   8.670  -2.500
   86   2HB   SER  14          2HB       SER  14 231.271   9.020  -3.934
   87    HG   SER  14           HG       SER  14 233.121   8.586  -2.675
   88    H    GLY  15           H        GLY  15 232.419  12.707  -1.552
   89   1HA   GLY  15          1HA       GLY  15 234.922  12.537  -3.224
   90   2HA   GLY  15          2HA       GLY  15 233.837  13.926  -3.225
   91    HA   PRO  16           HA       PRO  16 237.454  14.305  -0.192
   92   1HB   PRO  16          1HB       PRO  16 239.038  16.128  -1.454
   93   2HB   PRO  16          2HB       PRO  16 238.994  14.419  -1.957
   94   1HG   PRO  16          2HG       PRO  16 237.406  16.724  -3.148
   95   2HG   PRO  16          1HG       PRO  16 238.445  15.566  -4.018
   96   1HD   PRO  16          2HD       PRO  16 235.754  15.204  -3.815
   97   2HD   PRO  16          1HD       PRO  16 236.869  13.810  -3.743
   98    H    THR  17           H        THR  17 237.556  15.810   1.476
   99    HA   THR  17           HA       THR  17 236.068  18.424   1.229
  100    HB   THR  17           HB       THR  17 235.384  18.061   3.616
  101    HG1  THR  17           HG1      THR  17 235.871  15.332   3.232
  102   1HG2  THR  17          2HG2      THR  17 233.844  17.602   1.721
  103   2HG2  THR  17          3HG2      THR  17 234.411  15.923   1.665
  104   3HG2  THR  17          1HG2      THR  17 233.561  16.524   3.102
  105    H    VAL  18           H        VAL  18 238.774  18.356   0.697
  106    HA   VAL  18           HA       VAL  18 240.313  19.090   3.090
  107    HB   VAL  18           HB       VAL  18 241.198  19.293   0.192
  108   1HG1  VAL  18          3HG2      VAL  18 242.744  18.830   2.797
  109   2HG1  VAL  18          1HG2      VAL  18 243.447  18.877   1.172
  110   3HG1  VAL  18          2HG2      VAL  18 242.752  20.336   1.872
  111   1HG2  VAL  18          3HG1      VAL  18 241.307  16.868   2.048
  112   2HG2  VAL  18          1HG1      VAL  18 240.376  16.984   0.542
  113   3HG2  VAL  18          2HG1      VAL  18 242.135  17.000   0.482
  114    H    CYS  19           H        CYS  19 238.348  20.728   3.242
  115    HA   CYS  19           HA       CYS  19 238.718  23.367   1.998
  116   1HB   CYS  19          1HB       CYS  19 236.517  22.495   2.153
  117   2HB   CYS  19          2HB       CYS  19 236.690  22.077   3.857
  118    H    ALA  20           H        ALA  20 238.644  25.360   3.422
  119    HA   ALA  20           HA       ALA  20 240.738  25.104   5.575
  120   1HB   ALA  20          2HB       ALA  20 241.648  25.837   3.446
  121   2HB   ALA  20          3HB       ALA  20 240.474  27.173   3.377
  122   3HB   ALA  20          1HB       ALA  20 241.711  27.134   4.650
  123    H    SER  21           H        SER  21 239.371  25.251   7.345
  124    HA   SER  21           HA       SER  21 237.381  26.890   8.136
  125   1HB   SER  21          1HB       SER  21 238.511  25.249   9.587
  126   2HB   SER  21          2HB       SER  21 239.873  26.379   9.787
  127    HG   SER  21           HG       SER  21 238.351  26.625  11.506
  128    H    GLY  22           H        GLY  22 236.999  28.942   7.818
  129   1HA   GLY  22          1HA       GLY  22 237.863  31.412   8.350
  130   2HA   GLY  22          2HA       GLY  22 239.172  30.900   7.289
  131    H    THR  23           H        THR  23 238.061  29.412   5.443
  132    HA   THR  23           HA       THR  23 235.533  30.527   4.303
  133    HB   THR  23           HB       THR  23 235.819  28.911   2.479
  134    HG1  THR  23           HG1      THR  23 238.037  28.134   4.040
  135   1HG2  THR  23          1HG2      THR  23 236.905  31.145   2.293
  136   2HG2  THR  23          2HG2      THR  23 238.406  30.486   2.972
  137   3HG2  THR  23          3HG2      THR  23 237.797  29.910   1.411
  138    H    THR  24           H        THR  24 233.699  29.112   4.224
  139    HA   THR  24           HA       THR  24 233.491  27.689   6.800
  140    HB   THR  24           HB       THR  24 231.128  28.214   6.704
  141    HG1  THR  24           HG1      THR  24 231.726  29.505   4.252
  142   1HG2  THR  24          2HG2      THR  24 232.741  29.907   7.561
  143   2HG2  THR  24          3HG2      THR  24 232.787  30.657   5.956
  144   3HG2  THR  24          1HG2      THR  24 231.268  30.603   6.875
  145    H    CYS  25           H        CYS  25 230.938  27.028   4.717
  146    HA   CYS  25           HA       CYS  25 230.743  24.694   3.577
  147   1HB   CYS  25          1HB       CYS  25 232.170  23.448   5.129
  148   2HB   CYS  25          2HB       CYS  25 231.062  23.776   6.465
  149    H    GLN  26           H        GLN  26 229.091  26.261   3.230
  150    HA   GLN  26           HA       GLN  26 226.915  26.616   5.204
  151   1HB   GLN  26          1HB       GLN  26 228.611  28.326   4.512
  152   2HB   GLN  26          2HB       GLN  26 227.904  28.353   2.895
  153   1HG   GLN  26          2HG       GLN  26 225.785  29.208   3.844
  154   2HG   GLN  26          1HG       GLN  26 226.446  29.093   5.481
  155   1HE2  GLN  26          2HE2      GLN  26 228.837  31.854   4.555
  156   2HE2  GLN  26          1HE2      GLN  26 229.166  30.160   4.895
  157    H    VAL  27           H        VAL  27 224.817  26.059   4.742
  158    HA   VAL  27           HA       VAL  27 224.124  24.502   2.496
  159    HB   VAL  27           HB       VAL  27 222.247  25.729   4.518
  160   1HG1  VAL  27          1HG2      VAL  27 222.009  23.259   2.726
  161   2HG1  VAL  27          2HG2      VAL  27 220.858  23.725   3.989
  162   3HG1  VAL  27          3HG2      VAL  27 221.051  24.744   2.564
  163   1HG2  VAL  27          1HG1      VAL  27 223.805  23.096   4.564
  164   2HG2  VAL  27          2HG1      VAL  27 224.031  24.454   5.679
  165   3HG2  VAL  27          3HG1      VAL  27 222.524  23.543   5.706
  166    H    LEU  28           H        LEU  28 224.580  25.724   0.584
  167    HA   LEU  28           HA       LEU  28 222.730  27.919  -0.197
  168   1HB   LEU  28          1HB       LEU  28 224.928  26.568  -1.803
  169   2HB   LEU  28          2HB       LEU  28 224.054  28.044  -2.229
  170    HG   LEU  28           HG       LEU  28 226.050  27.671   0.018
  171   1HD1  LEU  28          2HD1      LEU  28 226.896  27.909  -2.339
  172   2HD1  LEU  28          3HD1      LEU  28 226.092  29.489  -2.428
  173   3HD1  LEU  28          1HD1      LEU  28 227.404  29.221  -1.266
  174   1HD2  LEU  28          2HD2      LEU  28 224.398  30.150  -0.650
  175   2HD2  LEU  28          3HD2      LEU  28 224.287  29.192   0.841
  176   3HD2  LEU  28          1HD2      LEU  28 225.758  30.093   0.487
  177    H    ASN  29           H        ASN  29 223.316  24.538  -1.246
  178    HA   ASN  29           HA       ASN  29 220.830  24.560  -2.872
  179   1HB   ASN  29          1HB       ASN  29 222.122  24.142  -4.984
  180   2HB   ASN  29          2HB       ASN  29 222.449  25.707  -4.277
  181   1HD2  ASN  29          2HD2      ASN  29 225.910  24.971  -4.232
  182   2HD2  ASN  29          1HD2      ASN  29 224.660  26.216  -4.167
  183    HA   PRO  30           HA       PRO  30 220.760  20.211  -2.034
  184   1HB   PRO  30          1HB       PRO  30 219.235  19.160  -4.019
  185   2HB   PRO  30          2HB       PRO  30 218.609  20.407  -2.917
  186   1HG   PRO  30          1HG       PRO  30 219.867  20.889  -5.643
  187   2HG   PRO  30          2HG       PRO  30 218.231  21.379  -5.114
  188   1HD   PRO  30          1HD       PRO  30 220.256  23.112  -4.918
  189   2HD   PRO  30          2HD       PRO  30 219.119  22.969  -3.559
  190    H    TYR  31           H        TYR  31 223.206  20.731  -2.723
  191    HA   TYR  31           HA       TYR  31 224.336  18.285  -3.777
  192   1HB   TYR  31          2HB       TYR  31 225.084  20.875  -5.213
  193   2HB   TYR  31          1HB       TYR  31 225.794  19.299  -5.454
  194    HD1  TYR  31           HD2      TYR  31 224.369  17.405  -6.444
  195    HD2  TYR  31           HD1      TYR  31 223.156  21.552  -6.457
  196    HE1  TYR  31           HE2      TYR  31 222.710  16.928  -8.255
  197    HE2  TYR  31           HE1      TYR  31 221.516  21.064  -8.261
  198    HH   TYR  31           HH       TYR  31 220.675  19.506  -9.635
  199    H    ALA  32           H        ALA  32 225.068  21.689  -3.108
  200    HA   ALA  32           HA       ALA  32 227.224  20.978  -1.161
  201   1HB   ALA  32          2HB       ALA  32 227.933  22.154  -3.231
  202   2HB   ALA  32          3HB       ALA  32 226.917  23.527  -2.759
  203   3HB   ALA  32          1HB       ALA  32 228.284  23.040  -1.743
  204    H    SER  33           H        SER  33 226.539  21.127   0.804
  205    HA   SER  33           HA       SER  33 226.024  23.855   1.747
  206   1HB   SER  33          1HB       SER  33 225.741  21.855   3.371
  207   2HB   SER  33          2HB       SER  33 227.508  21.718   3.309
  208    HG   SER  33           HG       SER  33 227.305  23.241   4.841
  209    H    GLN  34           H        GLN  34 227.670  25.282   1.400
  210    HA   GLN  34           HA       GLN  34 229.941  24.325  -0.304
  211   1HB   GLN  34          1HB       GLN  34 228.130  25.572  -1.463
  212   2HB   GLN  34          2HB       GLN  34 228.278  26.876  -0.289
  213   1HG   GLN  34          1HG       GLN  34 229.339  27.613  -2.293
  214   2HG   GLN  34          2HG       GLN  34 230.616  27.340  -1.127
  215   1HE2  GLN  34          2HE2      GLN  34 230.895  25.475  -4.616
  216   2HE2  GLN  34          1HE2      GLN  34 229.901  26.906  -4.357
  217    H    CYS  35           H        CYS  35 232.012  24.741   0.386
  218    HA   CYS  35           HA       CYS  35 232.624  26.618   2.533
  219   1HB   CYS  35          2HB       CYS  35 234.438  25.351   0.462
  220   2HB   CYS  35          1HB       CYS  35 234.951  26.352   1.824
  221    H    LEU  36           H        LEU  36 231.367  28.438   1.937
  222    HA   LEU  36           HA       LEU  36 232.729  30.393   0.144
  223   1HB   LEU  36          1HB       LEU  36 230.536  30.757   2.238
  224   2HB   LEU  36          2HB       LEU  36 231.178  32.003   1.165
  225    HG   LEU  36           HG       LEU  36 229.583  29.527   0.325
  226   1HD1  LEU  36          1HD2      LEU  36 228.963  32.518   0.363
  227   2HD1  LEU  36          2HD2      LEU  36 227.922  31.292  -0.376
  228   3HD1  LEU  36          3HD2      LEU  36 228.216  31.264   1.373
  229   1HD2  LEU  36          1HD1      LEU  36 230.864  31.738  -1.350
  230   2HD2  LEU  36          2HD1      LEU  36 231.182  29.991  -1.457
  231   3HD2  LEU  36          3HD1      LEU  36 229.614  30.635  -1.960
   
  No H/Q in entry =         231
  Start of MODEL   14
    1   1H    THR   1          2H        THR   1 243.838  22.662  -2.021
    2   2H    THR   1          3H        THR   1 243.944  24.109  -1.215
    3   3H    THR   1          1H        THR   1 244.597  22.766  -0.550
    4    HA   THR   1           HA       THR   1 242.452  21.865  -0.139
    5    HB   THR   1           HB       THR   1 241.510  23.834   1.327
    6    HG1  THR   1           HG1      THR   1 242.301  25.723   0.653
    7   1HG2  THR   1          2HG2      THR   1 243.160  22.212   2.275
    8   2HG2  THR   1          3HG2      THR   1 244.492  23.223   1.665
    9   3HG2  THR   1          1HG2      THR   1 243.373  23.854   2.878
   10    H    GLN   2           H        GLN   2 240.217  21.749  -0.551
   11    HA   GLN   2           HA       GLN   2 239.000  23.116  -2.812
   12   1HB   GLN   2          1HB       GLN   2 238.560  20.726  -2.077
   13   2HB   GLN   2          2HB       GLN   2 237.805  21.381  -0.626
   14   1HG   GLN   2          1HG       GLN   2 236.315  22.738  -2.399
   15   2HG   GLN   2          2HG       GLN   2 236.873  21.518  -3.527
   16   1HE2  GLN   2          2HE2      GLN   2 234.352  20.415  -0.485
   17   2HE2  GLN   2          1HE2      GLN   2 235.431  21.793  -0.206
   18    H    SER   3           H        SER   3 239.503  25.281  -1.930
   19    HA   SER   3           HA       SER   3 238.315  26.221   0.556
   20   1HB   SER   3          1HB       SER   3 239.828  27.825  -1.543
   21   2HB   SER   3          2HB       SER   3 239.634  28.193   0.181
   22    HG   SER   3           HG       SER   3 241.110  26.064  -1.004
   23    H    HIS   4           H        HIS   4 238.052  29.026  -0.981
   24    HA   HIS   4           HA       HIS   4 235.376  29.409  -0.793
   25   1HB   HIS   4          1HB       HIS   4 237.337  31.046  -1.210
   26   2HB   HIS   4          2HB       HIS   4 237.024  30.803  -2.925
   27    HD2  HIS   4           HD2      HIS   4 234.738  31.720   0.221
   28    HE1  HIS   4           HE1      HIS   4 233.987  34.447  -2.927
   29    HE2  HIS   4           HE2      HIS   4 233.378  33.833  -0.525
   30    H    TYR   5           H        TYR   5 233.653  28.654  -1.783
   31    HA   TYR   5           HA       TYR   5 232.130  27.858  -3.241
   32   1HB   TYR   5          1HB       TYR   5 234.022  28.345  -5.550
   33   2HB   TYR   5          2HB       TYR   5 232.292  28.087  -5.623
   34    HD1  TYR   5           HD2      TYR   5 230.833  29.842  -4.134
   35    HD2  TYR   5           HD1      TYR   5 234.723  30.587  -5.865
   36    HE1  TYR   5           HE2      TYR   5 230.389  32.297  -4.109
   37    HE2  TYR   5           HE1      TYR   5 234.241  33.019  -5.880
   38    HH   TYR   5           HH       TYR   5 232.756  34.632  -5.375
   39    H    GLY   6           H        GLY   6 233.385  26.073  -1.798
   40   1HA   GLY   6          2HA       GLY   6 234.098  23.690  -3.489
   41   2HA   GLY   6          1HA       GLY   6 234.611  24.047  -1.840
   42    H    GLN   7           H        GLN   7 232.860  21.728  -3.301
   43    HA   GLN   7           HA       GLN   7 230.423  21.799  -1.762
   44   1HB   GLN   7          1HB       GLN   7 230.456  20.800  -3.930
   45   2HB   GLN   7          2HB       GLN   7 231.605  19.558  -3.420
   46   1HG   GLN   7          2HG       GLN   7 229.971  18.525  -1.933
   47   2HG   GLN   7          1HG       GLN   7 228.913  19.922  -2.029
   48   1HE2  GLN   7          2HE2      GLN   7 227.198  17.513  -4.099
   49   2HE2  GLN   7          1HE2      GLN   7 227.455  17.890  -2.394
   50    H    CYS   8           H        CYS   8 229.956  21.123   0.220
   51    HA   CYS   8           HA       CYS   8 231.588  18.975   1.539
   52   1HB   CYS   8          1HB       CYS   8 229.793  20.950   2.983
   53   2HB   CYS   8          2HB       CYS   8 230.994  19.847   3.645
   54    H    GLY   9           H        GLY   9 228.265  20.173   1.098
   55   1HA   GLY   9          1HA       GLY   9 226.799  18.076   2.228
   56   2HA   GLY   9          2HA       GLY   9 226.205  19.144   0.964
   57    H    GLY  10           H        GLY  10 225.198  16.719   1.152
   58   1HA   GLY  10          1HA       GLY  10 226.635  14.508   0.345
   59   2HA   GLY  10          2HA       GLY  10 224.885  14.583   0.437
   60    H    ILE  11           H        ILE  11 224.191  16.125  -1.862
   61    HA   ILE  11           HA       ILE  11 224.132  13.835  -3.579
   62    HB   ILE  11           HB       ILE  11 223.069  16.606  -4.108
   63   1HG1  ILE  11          2HG1      ILE  11 221.735  13.966  -3.339
   64   2HG1  ILE  11          1HG1      ILE  11 222.087  15.275  -2.213
   65   1HG2  ILE  11          2HG2      ILE  11 223.516  15.490  -6.281
   66   2HG2  ILE  11          3HG2      ILE  11 222.611  14.067  -5.740
   67   3HG2  ILE  11          1HG2      ILE  11 221.803  15.628  -5.961
   68   1HD1  ILE  11          3HD1      ILE  11 220.600  16.792  -3.549
   69   2HD1  ILE  11          1HD1      ILE  11 220.105  15.387  -4.524
   70   3HD1  ILE  11          2HD1      ILE  11 219.775  15.417  -2.790
   71    H    GLY  12           H        GLY  12 225.584  13.068  -4.838
   72   1HA   GLY  12          1HA       GLY  12 227.090  13.021  -6.686
   73   2HA   GLY  12          2HA       GLY  12 227.450  14.726  -6.470
   74    H    TYR  13           H        TYR  13 227.752  13.809  -3.358
   75    HA   TYR  13           HA       TYR  13 230.670  13.967  -3.851
   76   1HB   TYR  13          1HB       TYR  13 229.214  15.866  -3.021
   77   2HB   TYR  13          2HB       TYR  13 229.137  15.032  -1.489
   78    HD1  TYR  13           HD2      TYR  13 231.350  16.732  -3.955
   79    HD2  TYR  13           HD1      TYR  13 231.179  14.921  -0.032
   80    HE1  TYR  13           HE2      TYR  13 233.556  17.738  -3.379
   81    HE2  TYR  13           HE1      TYR  13 233.360  15.959   0.532
   82    HH   TYR  13           HH       TYR  13 234.951  18.232  -1.668
   83    H    SER  14           H        SER  14 230.875  11.568  -3.816
   84    HA   SER  14           HA       SER  14 231.426  10.353  -1.171
   85   1HB   SER  14          1HB       SER  14 232.661   8.691  -2.571
   86   2HB   SER  14          2HB       SER  14 230.996   8.945  -3.129
   87    HG   SER  14           HG       SER  14 232.751   9.034  -4.785
   88    H    GLY  15           H        GLY  15 232.558  13.128  -1.679
   89   1HA   GLY  15          1HA       GLY  15 235.404  12.704  -2.287
   90   2HA   GLY  15          2HA       GLY  15 234.549  14.234  -2.191
   91    HA   PRO  16           HA       PRO  16 236.770  13.790   1.923
   92   1HB   PRO  16          1HB       PRO  16 239.378  14.320   1.526
   93   2HB   PRO  16          2HB       PRO  16 238.708  12.695   1.220
   94   1HG   PRO  16          1HG       PRO  16 239.258  14.868  -0.832
   95   2HG   PRO  16          2HG       PRO  16 239.719  13.149  -0.904
   96   1HD   PRO  16          1HD       PRO  16 237.423  14.190  -2.090
   97   2HD   PRO  16          2HD       PRO  16 237.562  12.501  -1.522
   98    H    THR  17           H        THR  17 236.171  15.692   2.929
   99    HA   THR  17           HA       THR  17 236.041  18.235   1.548
  100    HB   THR  17           HB       THR  17 235.207  19.063   3.744
  101    HG1  THR  17           HG1      THR  17 234.896  17.462   5.364
  102   1HG2  THR  17          2HG2      THR  17 233.706  17.921   2.035
  103   2HG2  THR  17          3HG2      THR  17 233.869  16.436   2.988
  104   3HG2  THR  17          1HG2      THR  17 233.126  17.878   3.706
  105    H    VAL  18           H        VAL  18 238.538  17.926   1.159
  106    HA   VAL  18           HA       VAL  18 240.342  18.954   3.203
  107    HB   VAL  18           HB       VAL  18 240.842  18.872   0.203
  108   1HG1  VAL  18          3HG2      VAL  18 242.602  20.059   1.553
  109   2HG1  VAL  18          1HG2      VAL  18 242.742  18.639   2.594
  110   3HG1  VAL  18          2HG2      VAL  18 243.201  18.548   0.883
  111   1HG2  VAL  18          1HG1      VAL  18 241.204  16.610   2.220
  112   2HG2  VAL  18          2HG1      VAL  18 240.116  16.617   0.819
  113   3HG2  VAL  18          3HG1      VAL  18 241.852  16.627   0.568
  114    H    CYS  19           H        CYS  19 238.568  20.768   3.546
  115    HA   CYS  19           HA       CYS  19 238.773  23.096   1.745
  116   1HB   CYS  19          1HB       CYS  19 236.605  22.306   2.278
  117   2HB   CYS  19          2HB       CYS  19 236.917  22.330   4.011
  118    H    ALA  20           H        ALA  20 239.033  25.283   2.519
  119    HA   ALA  20           HA       ALA  20 241.236  25.546   4.498
  120   1HB   ALA  20          2HB       ALA  20 241.482  26.661   2.353
  121   2HB   ALA  20          3HB       ALA  20 239.994  27.596   2.633
  122   3HB   ALA  20          1HB       ALA  20 241.408  27.826   3.675
  123    H    SER  21           H        SER  21 239.980  24.989   6.381
  124    HA   SER  21           HA       SER  21 237.755  26.155   7.490
  125   1HB   SER  21          1HB       SER  21 239.151  24.371   8.562
  126   2HB   SER  21          2HB       SER  21 240.324  25.617   9.022
  127    HG   SER  21           HG       SER  21 237.572  25.529   9.814
  128    H    GLY  22           H        GLY  22 237.169  28.216   7.563
  129   1HA   GLY  22          1HA       GLY  22 237.981  30.618   8.559
  130   2HA   GLY  22          2HA       GLY  22 239.168  30.369   7.272
  131    H    THR  23           H        THR  23 237.938  29.229   5.304
  132    HA   THR  23           HA       THR  23 235.255  30.359   4.697
  133    HB   THR  23           HB       THR  23 235.263  29.018   2.695
  134    HG1  THR  23           HG1      THR  23 237.579  27.891   3.833
  135   1HG2  THR  23          2HG2      THR  23 236.554  31.164   2.611
  136   2HG2  THR  23          3HG2      THR  23 238.039  30.271   2.962
  137   3HG2  THR  23          1HG2      THR  23 237.137  29.941   1.465
  138    H    THR  24           H        THR  24 233.456  28.929   4.677
  139    HA   THR  24           HA       THR  24 233.479  27.208   7.065
  140    HB   THR  24           HB       THR  24 231.105  27.625   7.188
  141    HG1  THR  24           HG1      THR  24 231.476  29.155   4.843
  142   1HG2  THR  24          2HG2      THR  24 232.691  29.320   8.101
  143   2HG2  THR  24          3HG2      THR  24 232.610  30.216   6.576
  144   3HG2  THR  24          1HG2      THR  24 231.150  30.025   7.559
  145    H    CYS  25           H        CYS  25 230.860  26.666   5.003
  146    HA   CYS  25           HA       CYS  25 230.957  24.395   3.598
  147   1HB   CYS  25          1HB       CYS  25 231.473  23.590   6.440
  148   2HB   CYS  25          2HB       CYS  25 230.375  22.578   5.541
  149    H    GLN  26           H        GLN  26 229.157  26.604   4.036
  150    HA   GLN  26           HA       GLN  26 226.800  25.553   5.509
  151   1HB   GLN  26          1HB       GLN  26 226.078  27.832   5.720
  152   2HB   GLN  26          2HB       GLN  26 227.739  27.603   6.277
  153   1HG   GLN  26          2HG       GLN  26 228.523  28.546   4.018
  154   2HG   GLN  26          1HG       GLN  26 226.845  28.964   3.687
  155   1HE2  GLN  26          2HE2      GLN  26 229.027  31.437   5.957
  156   2HE2  GLN  26          1HE2      GLN  26 229.772  30.023   5.207
  157    H    VAL  27           H        VAL  27 224.638  25.839   4.868
  158    HA   VAL  27           HA       VAL  27 223.992  24.559   2.445
  159    HB   VAL  27           HB       VAL  27 222.234  26.110   4.342
  160   1HG1  VAL  27          1HG2      VAL  27 221.475  24.030   2.236
  161   2HG1  VAL  27          2HG2      VAL  27 220.390  24.727   3.455
  162   3HG1  VAL  27          3HG2      VAL  27 221.057  25.755   2.189
  163   1HG2  VAL  27          2HG1      VAL  27 223.496  24.205   5.409
  164   2HG2  VAL  27          3HG1      VAL  27 221.760  23.897   5.327
  165   3HG2  VAL  27          1HG1      VAL  27 222.849  23.118   4.166
  166    H    LEU  28           H        LEU  28 224.192  25.324   0.404
  167    HA   LEU  28           HA       LEU  28 222.930  27.984  -0.286
  168   1HB   LEU  28          1HB       LEU  28 225.267  26.549  -1.571
  169   2HB   LEU  28          2HB       LEU  28 224.470  27.980  -2.251
  170    HG   LEU  28           HG       LEU  28 226.005  27.888   0.380
  171   1HD1  LEU  28          3HD1      LEU  28 227.246  27.666  -1.802
  172   2HD1  LEU  28          1HD1      LEU  28 226.636  29.252  -2.283
  173   3HD1  LEU  28          2HD1      LEU  28 227.698  29.091  -0.865
  174   1HD2  LEU  28          1HD2      LEU  28 224.719  30.255  -1.077
  175   2HD2  LEU  28          2HD2      LEU  28 224.227  29.631   0.512
  176   3HD2  LEU  28          3HD2      LEU  28 225.812  30.373   0.311
  177    H    ASN  29           H        ASN  29 223.564  24.710  -1.584
  178    HA   ASN  29           HA       ASN  29 221.179  24.953  -3.384
  179   1HB   ASN  29          1HB       ASN  29 222.695  24.181  -5.280
  180   2HB   ASN  29          2HB       ASN  29 222.964  25.808  -4.691
  181   1HD2  ASN  29          2HD2      ASN  29 226.370  25.148  -4.003
  182   2HD2  ASN  29          1HD2      ASN  29 225.110  26.343  -4.228
  183    HA   PRO  30           HA       PRO  30 220.513  20.639  -2.464
  184   1HB   PRO  30          1HB       PRO  30 219.195  19.650  -4.631
  185   2HB   PRO  30          2HB       PRO  30 218.514  20.933  -3.611
  186   1HG   PRO  30          2HG       PRO  30 220.098  21.299  -6.173
  187   2HG   PRO  30          1HG       PRO  30 218.466  21.929  -5.816
  188   1HD   PRO  30          1HD       PRO  30 220.622  23.489  -5.435
  189   2HD   PRO  30          2HD       PRO  30 219.330  23.488  -4.211
  190    H    TYR  31           H        TYR  31 223.087  21.010  -2.906
  191    HA   TYR  31           HA       TYR  31 224.097  18.407  -3.627
  192   1HB   TYR  31          2HB       TYR  31 225.464  20.767  -5.016
  193   2HB   TYR  31          1HB       TYR  31 225.828  19.064  -5.142
  194    HD1  TYR  31           HD2      TYR  31 223.531  21.788  -6.128
  195    HD2  TYR  31           HD1      TYR  31 224.559  17.633  -6.678
  196    HE1  TYR  31           HE2      TYR  31 221.999  21.670  -8.082
  197    HE2  TYR  31           HE1      TYR  31 223.026  17.527  -8.651
  198    HH   TYR  31           HH       TYR  31 221.206  20.390  -9.736
  199    H    ALA  32           H        ALA  32 225.391  21.678  -3.271
  200    HA   ALA  32           HA       ALA  32 227.059  20.931  -0.957
  201   1HB   ALA  32          2HB       ALA  32 228.017  21.941  -3.046
  202   2HB   ALA  32          3HB       ALA  32 227.160  23.438  -2.636
  203   3HB   ALA  32          1HB       ALA  32 228.391  22.781  -1.535
  204    H    SER  33           H        SER  33 225.878  21.070   0.835
  205    HA   SER  33           HA       SER  33 225.896  23.780   1.950
  206   1HB   SER  33          1HB       SER  33 226.515  22.551   4.048
  207   2HB   SER  33          2HB       SER  33 224.996  22.040   3.333
  208    HG   SER  33           HG       SER  33 227.485  20.673   3.168
  209    H    GLN  34           H        GLN  34 227.738  24.966   1.920
  210    HA   GLN  34           HA       GLN  34 229.977  23.879   0.296
  211   1HB   GLN  34          2HB       GLN  34 227.922  24.898  -0.885
  212   2HB   GLN  34          1HB       GLN  34 228.405  26.431  -0.190
  213   1HG   GLN  34          1HG       GLN  34 230.609  26.260  -1.405
  214   2HG   GLN  34          2HG       GLN  34 230.116  24.688  -2.043
  215   1HE2  GLN  34          2HE2      GLN  34 228.987  27.875  -4.103
  216   2HE2  GLN  34          1HE2      GLN  34 230.091  28.037  -2.734
  217    H    CYS  35           H        CYS  35 231.966  24.792   0.422
  218    HA   CYS  35           HA       CYS  35 232.735  26.510   2.624
  219   1HB   CYS  35          2HB       CYS  35 234.287  25.433   0.250
  220   2HB   CYS  35          1HB       CYS  35 234.970  26.430   1.539
  221    H    LEU  36           H        LEU  36 231.320  28.303   2.308
  222    HA   LEU  36           HA       LEU  36 232.650  30.459   0.706
  223   1HB   LEU  36          1HB       LEU  36 230.166  30.615   2.460
  224   2HB   LEU  36          2HB       LEU  36 230.921  31.942   1.568
  225    HG   LEU  36           HG       LEU  36 229.552  29.498   0.370
  226   1HD1  LEU  36          1HD2      LEU  36 228.919  32.490   0.442
  227   2HD1  LEU  36          2HD2      LEU  36 228.027  31.328  -0.547
  228   3HD1  LEU  36          3HD2      LEU  36 227.992  31.193   1.222
  229   1HD2  LEU  36          1HD1      LEU  36 231.016  31.783  -1.022
  230   2HD2  LEU  36          2HD1      LEU  36 231.415  30.050  -1.110
  231   3HD2  LEU  36          3HD1      LEU  36 229.921  30.642  -1.832
   
  No H/Q in entry =         231
  Start of MODEL   15
    1   1H    THR   1          1H        THR   1 244.452  22.275  -3.082
    2   2H    THR   1          2H        THR   1 244.700  21.157  -1.890
    3   3H    THR   1          3H        THR   1 243.578  20.866  -3.086
    4    HA   THR   1           HA       THR   1 242.378  21.404  -1.236
    5    HB   THR   1           HB       THR   1 244.169  23.810  -0.660
    6    HG1  THR   1           HG1      THR   1 245.021  22.209   0.929
    7   1HG2  THR   1          2HG2      THR   1 241.980  23.771   0.555
    8   2HG2  THR   1          3HG2      THR   1 242.362  22.167   1.195
    9   3HG2  THR   1          1HG2      THR   1 243.354  23.559   1.634
   10    H    GLN   2           H        GLN   2 240.440  22.625  -1.307
   11    HA   GLN   2           HA       GLN   2 240.200  24.699  -3.412
   12   1HB   GLN   2          2HB       GLN   2 238.259  23.096  -1.718
   13   2HB   GLN   2          1HB       GLN   2 237.715  24.604  -2.425
   14   1HG   GLN   2          1HG       GLN   2 238.958  22.396  -4.103
   15   2HG   GLN   2          2HG       GLN   2 237.233  22.510  -3.761
   16   1HE2  GLN   2          2HE2      GLN   2 236.799  24.755  -6.453
   17   2HE2  GLN   2          1HE2      GLN   2 236.064  23.505  -5.454
   18    H    SER   3           H        SER   3 239.227  26.700  -3.017
   19    HA   SER   3           HA       SER   3 239.627  27.926  -0.290
   20   1HB   SER   3          1HB       SER   3 240.931  28.984  -2.102
   21   2HB   SER   3          2HB       SER   3 239.442  29.265  -3.025
   22    HG   SER   3           HG       SER   3 240.107  31.103  -1.711
   23    H    HIS   4           H        HIS   4 237.765  30.093  -1.123
   24    HA   HIS   4           HA       HIS   4 235.271  29.227  -0.221
   25   1HB   HIS   4          2HB       HIS   4 236.185  31.528  -1.984
   26   2HB   HIS   4          1HB       HIS   4 234.461  31.240  -1.775
   27    HD2  HIS   4           HD2      HIS   4 233.754  30.809   1.051
   28    HE1  HIS   4           HE1      HIS   4 236.392  33.897   2.192
   29    HE2  HIS   4           HE2      HIS   4 234.431  32.370   2.974
   30    H    TYR   5           H        TYR   5 233.368  28.605  -1.029
   31    HA   TYR   5           HA       TYR   5 231.755  27.815  -2.329
   32   1HB   TYR   5          2HB       TYR   5 233.355  28.273  -4.844
   33   2HB   TYR   5          1HB       TYR   5 231.615  28.203  -4.659
   34    HD1  TYR   5           HD2      TYR   5 230.714  29.976  -2.706
   35    HD2  TYR   5           HD1      TYR   5 234.233  30.447  -5.173
   36    HE1  TYR   5           HE2      TYR   5 230.777  32.406  -2.171
   37    HE2  TYR   5           HE1      TYR   5 234.299  32.864  -4.601
   38    HH   TYR   5           HH       TYR   5 233.417  34.492  -3.305
   39    H    GLY   6           H        GLY   6 234.439  26.072  -1.840
   40   1HA   GLY   6          2HA       GLY   6 234.143  23.765  -3.483
   41   2HA   GLY   6          1HA       GLY   6 234.836  23.786  -1.868
   42    H    GLN   7           H        GLN   7 233.246  21.670  -3.015
   43    HA   GLN   7           HA       GLN   7 230.534  21.754  -1.921
   44   1HB   GLN   7          1HB       GLN   7 231.149  20.726  -4.141
   45   2HB   GLN   7          2HB       GLN   7 232.061  19.488  -3.269
   46   1HG   GLN   7          2HG       GLN   7 229.917  18.790  -2.108
   47   2HG   GLN   7          1HG       GLN   7 229.051  19.999  -3.062
   48   1HE2  GLN   7          2HE2      GLN   7 228.323  17.054  -4.944
   49   2HE2  GLN   7          1HE2      GLN   7 227.728  18.091  -3.646
   50    H    CYS   8           H        CYS   8 229.819  20.891   0.007
   51    HA   CYS   8           HA       CYS   8 231.463  18.793   1.378
   52   1HB   CYS   8          1HB       CYS   8 229.973  20.960   2.849
   53   2HB   CYS   8          2HB       CYS   8 231.144  19.790   3.461
   54    H    GLY   9           H        GLY   9 228.372  19.304   0.058
   55   1HA   GLY   9          2HA       GLY   9 227.371  16.778   1.044
   56   2HA   GLY   9          1HA       GLY   9 226.679  18.091   1.978
   57    H    GLY  10           H        GLY  10 224.898  17.441  -1.524
   58   1HA   GLY  10          1HA       GLY  10 227.372  16.038  -1.349
   59   2HA   GLY  10          2HA       GLY  10 226.254  15.249  -0.225
   60    H    ILE  11           H        ILE  11 225.007  16.497  -3.331
   61    HA   ILE  11           HA       ILE  11 224.302  13.803  -4.215
   62    HB   ILE  11           HB       ILE  11 224.289  16.440  -5.728
   63   1HG1  ILE  11          2HG1      ILE  11 222.174  14.831  -4.227
   64   2HG1  ILE  11          1HG1      ILE  11 222.659  16.514  -3.990
   65   1HG2  ILE  11          1HG2      ILE  11 224.555  14.505  -7.292
   66   2HG2  ILE  11          2HG2      ILE  11 223.136  13.737  -6.550
   67   3HG2  ILE  11          3HG2      ILE  11 222.987  15.259  -7.453
   68   1HD1  ILE  11          3HD1      ILE  11 221.720  16.978  -6.337
   69   2HD1  ILE  11          1HD1      ILE  11 221.012  15.354  -6.273
   70   3HD1  ILE  11          2HD1      ILE  11 220.538  16.567  -5.080
   71    H    GLY  12           H        GLY  12 225.516  12.367  -5.348
   72   1HA   GLY  12          1HA       GLY  12 227.252  11.424  -6.560
   73   2HA   GLY  12          2HA       GLY  12 227.826  13.027  -7.005
   74    H    TYR  13           H        TYR  13 228.267  14.040  -4.413
   75    HA   TYR  13           HA       TYR  13 230.902  13.181  -3.818
   76   1HB   TYR  13          1HB       TYR  13 229.512  15.444  -3.447
   77   2HB   TYR  13          2HB       TYR  13 229.195  14.755  -1.869
   78    HD1  TYR  13           HD1      TYR  13 232.064  15.314  -4.272
   79    HD2  TYR  13           HD2      TYR  13 230.657  15.638  -0.187
   80    HE1  TYR  13           HE1      TYR  13 234.058  16.680  -3.674
   81    HE2  TYR  13           HE2      TYR  13 232.663  17.002   0.368
   82    HH   TYR  13           HH       TYR  13 234.086  18.516  -0.746
   83    H    SER  14           H        SER  14 231.581  12.928  -1.438
   84    HA   SER  14           HA       SER  14 229.744  11.330   0.268
   85   1HB   SER  14          2HB       SER  14 231.385   9.680   0.864
   86   2HB   SER  14          1HB       SER  14 231.136   9.681  -0.888
   87    HG   SER  14           HG       SER  14 233.364   9.634  -0.502
   88    H    GLY  15           H        GLY  15 233.133  11.934   0.936
   89   1HA   GLY  15          2HA       GLY  15 232.633  14.551   2.191
   90   2HA   GLY  15          1HA       GLY  15 232.975  13.279   3.363
   91    HA   PRO  16           HA       PRO  16 237.286  13.992   1.509
   92   1HB   PRO  16          1HB       PRO  16 237.816  14.380  -1.103
   93   2HB   PRO  16          2HB       PRO  16 237.244  12.794  -0.531
   94   1HG   PRO  16          1HG       PRO  16 235.540  15.041  -1.679
   95   2HG   PRO  16          2HG       PRO  16 235.625  13.359  -2.269
   96   1HD   PRO  16          1HD       PRO  16 233.689  14.105  -0.507
   97   2HD   PRO  16          2HD       PRO  16 234.515  12.524  -0.371
   98    H    THR  17           H        THR  17 236.023  15.981   2.729
   99    HA   THR  17           HA       THR  17 235.700  18.441   1.229
  100    HB   THR  17           HB       THR  17 235.143  19.460   3.378
  101    HG1  THR  17           HG1      THR  17 236.646  18.425   4.679
  102   1HG2  THR  17          2HG2      THR  17 233.400  18.098   2.286
  103   2HG2  THR  17          3HG2      THR  17 233.921  16.673   3.214
  104   3HG2  THR  17          1HG2      THR  17 233.270  18.088   4.053
  105    H    VAL  18           H        VAL  18 238.176  18.029   0.515
  106    HA   VAL  18           HA       VAL  18 240.154  19.271   2.299
  107    HB   VAL  18           HB       VAL  18 240.489  18.530  -0.625
  108   1HG1  VAL  18          3HG2      VAL  18 242.314  19.987   0.396
  109   2HG1  VAL  18          1HG2      VAL  18 242.521  18.783   1.659
  110   3HG1  VAL  18          2HG2      VAL  18 242.880  18.375  -0.030
  111   1HG2  VAL  18          1HG1      VAL  18 240.998  16.859   1.886
  112   2HG2  VAL  18          2HG1      VAL  18 239.771  16.514   0.654
  113   3HG2  VAL  18          3HG1      VAL  18 241.480  16.410   0.239
  114    H    CYS  19           H        CYS  19 238.555  21.101   2.493
  115    HA   CYS  19           HA       CYS  19 238.926  23.305   0.519
  116   1HB   CYS  19          1HB       CYS  19 236.693  22.417   2.054
  117   2HB   CYS  19          2HB       CYS  19 237.196  23.909   2.826
  118    H    ALA  20           H        ALA  20 238.931  25.556   1.766
  119    HA   ALA  20           HA       ALA  20 241.309  25.712   3.478
  120   1HB   ALA  20          3HB       ALA  20 239.340  27.822   2.505
  121   2HB   ALA  20          1HB       ALA  20 240.825  28.149   3.418
  122   3HB   ALA  20          2HB       ALA  20 240.919  27.418   1.806
  123    H    SER  21           H        SER  21 241.166  27.032   5.507
  124    HA   SER  21           HA       SER  21 238.802  26.304   7.222
  125   1HB   SER  21          1HB       SER  21 240.806  25.116   7.924
  126   2HB   SER  21          2HB       SER  21 241.696  26.649   8.081
  127    HG   SER  21           HG       SER  21 240.697  25.852  10.092
  128    H    GLY  22           H        GLY  22 238.702  27.880   9.161
  129   1HA   GLY  22          1HA       GLY  22 237.885  30.039   9.724
  130   2HA   GLY  22          2HA       GLY  22 238.777  30.742   8.375
  131    H    THR  23           H        THR  23 237.867  29.578   6.170
  132    HA   THR  23           HA       THR  23 235.046  29.991   5.684
  133    HB   THR  23           HB       THR  23 235.448  28.723   3.613
  134    HG1  THR  23           HG1      THR  23 237.070  27.261   4.701
  135   1HG2  THR  23          2HG2      THR  23 236.212  31.119   3.813
  136   2HG2  THR  23          3HG2      THR  23 237.856  30.528   4.095
  137   3HG2  THR  23          1HG2      THR  23 237.038  30.169   2.561
  138    H    THR  24           H        THR  24 233.372  28.490   5.577
  139    HA   THR  24           HA       THR  24 233.708  25.977   7.152
  140    HB   THR  24           HB       THR  24 231.448  26.210   7.828
  141    HG1  THR  24           HG1      THR  24 231.307  28.460   6.086
  142   1HG2  THR  24          2HG2      THR  24 233.069  27.648   9.035
  143   2HG2  THR  24          3HG2      THR  24 232.693  28.986   7.930
  144   3HG2  THR  24          1HG2      THR  24 231.433  28.344   8.993
  145    H    CYS  25           H        CYS  25 230.732  25.805   5.848
  146    HA   CYS  25           HA       CYS  25 230.917  24.045   3.605
  147   1HB   CYS  25          1HB       CYS  25 231.659  22.838   6.271
  148   2HB   CYS  25          2HB       CYS  25 230.688  21.873   5.180
  149    H    GLN  26           H        GLN  26 229.010  25.751   3.943
  150    HA   GLN  26           HA       GLN  26 226.733  24.644   5.537
  151   1HB   GLN  26          1HB       GLN  26 228.118  26.510   6.390
  152   2HB   GLN  26          2HB       GLN  26 227.559  27.516   5.041
  153   1HG   GLN  26          1HG       GLN  26 225.264  27.455   5.886
  154   2HG   GLN  26          2HG       GLN  26 225.679  26.199   7.064
  155   1HE2  GLN  26          2HE2      GLN  26 227.629  29.401   8.392
  156   2HE2  GLN  26          1HE2      GLN  26 228.236  28.514   6.998
  157    H    VAL  27           H        VAL  27 224.601  24.955   4.892
  158    HA   VAL  27           HA       VAL  27 223.856  24.238   2.416
  159    HB   VAL  27           HB       VAL  27 221.562  24.864   2.991
  160   1HG1  VAL  27          2HG2      VAL  27 222.641  22.741   3.747
  161   2HG1  VAL  27          3HG2      VAL  27 223.089  23.533   5.276
  162   3HG1  VAL  27          1HG2      VAL  27 221.388  23.323   4.850
  163   1HG2  VAL  27          1HG1      VAL  27 222.813  26.097   5.502
  164   2HG2  VAL  27          2HG1      VAL  27 221.868  26.948   4.271
  165   3HG2  VAL  27          3HG1      VAL  27 221.093  25.734   5.281
  166    H    LEU  28           H        LEU  28 224.271  25.076   0.462
  167    HA   LEU  28           HA       LEU  28 223.352  27.864  -0.136
  168   1HB   LEU  28          2HB       LEU  28 225.934  26.634  -0.539
  169   2HB   LEU  28          1HB       LEU  28 225.238  26.869  -2.116
  170    HG   LEU  28           HG       LEU  28 226.561  28.758  -1.550
  171   1HD1  LEU  28          3HD2      LEU  28 224.492  29.249  -2.829
  172   2HD1  LEU  28          1HD2      LEU  28 223.667  29.678  -1.317
  173   3HD1  LEU  28          2HD2      LEU  28 225.058  30.613  -1.860
  174   1HD2  LEU  28          2HD1      LEU  28 226.596  28.561   0.868
  175   2HD2  LEU  28          3HD1      LEU  28 226.131  30.198   0.374
  176   3HD2  LEU  28          1HD1      LEU  28 224.905  29.084   0.985
  177    H    ASN  29           H        ASN  29 223.642  24.636  -1.608
  178    HA   ASN  29           HA       ASN  29 221.279  25.072  -3.344
  179   1HB   ASN  29          1HB       ASN  29 222.691  24.713  -5.426
  180   2HB   ASN  29          2HB       ASN  29 223.028  26.206  -4.580
  181   1HD2  ASN  29          2HD2      ASN  29 226.461  25.380  -4.410
  182   2HD2  ASN  29          1HD2      ASN  29 225.235  26.622  -4.596
  183    HA   PRO  30           HA       PRO  30 220.859  20.681  -2.926
  184   1HB   PRO  30          1HB       PRO  30 219.523  19.839  -5.148
  185   2HB   PRO  30          2HB       PRO  30 218.825  21.005  -4.004
  186   1HG   PRO  30          2HG       PRO  30 220.344  21.643  -6.560
  187   2HG   PRO  30          1HG       PRO  30 218.699  22.185  -6.120
  188   1HD   PRO  30          2HD       PRO  30 220.799  23.775  -5.653
  189   2HD   PRO  30          1HD       PRO  30 219.542  23.622  -4.399
  190    H    TYR  31           H        TYR  31 223.424  21.161  -3.448
  191    HA   TYR  31           HA       TYR  31 224.468  18.705  -4.626
  192   1HB   TYR  31          2HB       TYR  31 225.359  21.412  -5.737
  193   2HB   TYR  31          1HB       TYR  31 226.115  19.870  -6.074
  194    HD1  TYR  31           HD2      TYR  31 224.891  18.111  -7.420
  195    HD2  TYR  31           HD1      TYR  31 223.377  22.127  -6.929
  196    HE1  TYR  31           HE2      TYR  31 223.398  17.793  -9.384
  197    HE2  TYR  31           HE1      TYR  31 221.887  21.796  -8.907
  198    HH   TYR  31           HH       TYR  31 221.844  18.729 -10.712
  199    H    ALA  32           H        ALA  32 225.195  21.951  -3.415
  200    HA   ALA  32           HA       ALA  32 227.044  20.885  -1.336
  201   1HB   ALA  32          2HB       ALA  32 228.190  22.055  -3.200
  202   2HB   ALA  32          3HB       ALA  32 227.265  23.513  -2.835
  203   3HB   ALA  32          1HB       ALA  32 228.399  22.844  -1.632
  204    H    SER  33           H        SER  33 225.768  20.886   0.440
  205    HA   SER  33           HA       SER  33 225.769  23.528   1.744
  206   1HB   SER  33          1HB       SER  33 224.928  21.481   2.935
  207   2HB   SER  33          2HB       SER  33 226.574  20.843   2.961
  208    HG   SER  33           HG       SER  33 227.091  22.449   4.429
  209    H    GLN  34           H        GLN  34 227.563  24.741   1.854
  210    HA   GLN  34           HA       GLN  34 229.877  23.822   0.219
  211   1HB   GLN  34          1HB       GLN  34 227.744  24.861  -0.858
  212   2HB   GLN  34          2HB       GLN  34 228.221  26.357  -0.073
  213   1HG   GLN  34          2HG       GLN  34 230.400  26.270  -1.332
  214   2HG   GLN  34          1HG       GLN  34 229.881  24.785  -2.123
  215   1HE2  GLN  34          2HE2      GLN  34 228.386  28.317  -3.422
  216   2HE2  GLN  34          1HE2      GLN  34 229.253  28.288  -1.886
  217    H    CYS  35           H        CYS  35 231.826  25.018   0.329
  218    HA   CYS  35           HA       CYS  35 232.426  26.250   2.835
  219   1HB   CYS  35          2HB       CYS  35 234.102  26.497   0.337
  220   2HB   CYS  35          1HB       CYS  35 234.638  26.588   2.015
  221    H    LEU  36           H        LEU  36 231.019  27.978   3.252
  222    HA   LEU  36           HA       LEU  36 231.811  30.613   2.062
  223   1HB   LEU  36          1HB       LEU  36 229.691  29.997   4.152
  224   2HB   LEU  36          2HB       LEU  36 230.210  31.591   3.616
  225    HG   LEU  36           HG       LEU  36 228.687  29.536   1.986
  226   1HD1  LEU  36          1HD2      LEU  36 228.055  32.369   2.983
  227   2HD1  LEU  36          2HD2      LEU  36 226.991  31.400   1.970
  228   3HD1  LEU  36          3HD2      LEU  36 227.358  30.864   3.613
  229   1HD2  LEU  36          1HD1      LEU  36 229.873  32.204   1.089
  230   2HD2  LEU  36          2HD1      LEU  36 230.212  30.594   0.407
  231   3HD2  LEU  36          3HD1      LEU  36 228.614  31.321   0.202
   
  No H/Q in entry =         231
  Start of MODEL   16
    1   1H    THR   1          3H        THR   1 244.221  21.219  -0.728
    2   2H    THR   1          1H        THR   1 244.467  22.813  -0.406
    3   3H    THR   1          2H        THR   1 244.850  21.695   0.741
    4    HA   THR   1           HA       THR   1 242.527  21.239   1.102
    5    HB   THR   1           HB       THR   1 241.751  23.561   1.797
    6    HG1  THR   1           HG1      THR   1 242.970  25.287   1.158
    7   1HG2  THR   1          2HG2      THR   1 243.514  22.346   3.215
    8   2HG2  THR   1          3HG2      THR   1 244.745  23.307   2.362
    9   3HG2  THR   1          1HG2      THR   1 243.498  24.110   3.324
   10    H    GLN   2           H        GLN   2 240.221  22.180   0.705
   11    HA   GLN   2           HA       GLN   2 239.562  22.500  -2.155
   12   1HB   GLN   2          2HB       GLN   2 238.341  20.866  -0.939
   13   2HB   GLN   2          1HB       GLN   2 237.984  21.962   0.389
   14   1HG   GLN   2          1HG       GLN   2 236.486  23.300  -0.976
   15   2HG   GLN   2          2HG       GLN   2 236.936  22.399  -2.440
   16   1HE2  GLN   2          2HE2      GLN   2 233.824  20.983  -0.788
   17   2HE2  GLN   2          1HE2      GLN   2 234.243  22.701  -0.695
   18    H    SER   3           H        SER   3 238.904  24.460  -3.005
   19    HA   SER   3           HA       SER   3 239.368  26.858  -1.307
   20   1HB   SER   3          1HB       SER   3 240.584  26.512  -3.494
   21   2HB   SER   3          2HB       SER   3 239.037  26.764  -4.321
   22    HG   SER   3           HG       SER   3 240.431  28.594  -2.612
   23    H    HIS   4           H        HIS   4 238.118  28.846  -2.255
   24    HA   HIS   4           HA       HIS   4 235.734  28.850  -0.835
   25   1HB   HIS   4          1HB       HIS   4 237.216  30.821  -1.526
   26   2HB   HIS   4          2HB       HIS   4 236.389  30.796  -3.087
   27    HD2  HIS   4           HD2      HIS   4 234.390  30.392   0.280
   28    HE1  HIS   4           HE1      HIS   4 233.741  34.308  -1.145
   29    HE2  HIS   4           HE2      HIS   4 233.039  32.590   0.615
   30    H    TYR   5           H        TYR   5 233.535  28.696  -1.317
   31    HA   TYR   5           HA       TYR   5 231.623  28.116  -2.380
   32   1HB   TYR   5          1HB       TYR   5 232.918  28.452  -5.095
   33   2HB   TYR   5          2HB       TYR   5 231.212  28.460  -4.706
   34    HD1  TYR   5           HD2      TYR   5 230.218  30.411  -3.396
   35    HD2  TYR   5           HD1      TYR   5 234.178  30.488  -5.115
   36    HE1  TYR   5           HE2      TYR   5 230.353  32.874  -2.999
   37    HE2  TYR   5           HE1      TYR   5 234.239  32.957  -4.849
   38    HH   TYR   5           HH       TYR   5 233.210  34.749  -3.992
   39    H    GLY   6           H        GLY   6 234.464  26.256  -3.271
   40   1HA   GLY   6          1HA       GLY   6 233.565  24.069  -4.577
   41   2HA   GLY   6          2HA       GLY   6 234.680  23.937  -3.215
   42    H    GLN   7           H        GLN   7 232.472  22.171  -4.289
   43    HA   GLN   7           HA       GLN   7 230.257  22.037  -2.517
   44   1HB   GLN   7          1HB       GLN   7 230.450  21.131  -4.897
   45   2HB   GLN   7          2HB       GLN   7 231.416  19.804  -4.236
   46   1HG   GLN   7          2HG       GLN   7 229.415  19.182  -2.766
   47   2HG   GLN   7          1HG       GLN   7 228.498  20.443  -3.594
   48   1HE2  GLN   7          2HE2      GLN   7 227.706  17.183  -5.205
   49   2HE2  GLN   7          1HE2      GLN   7 227.472  17.889  -3.604
   50    H    CYS   8           H        CYS   8 229.840  20.853  -0.633
   51    HA   CYS   8           HA       CYS   8 231.440  18.481   0.056
   52   1HB   CYS   8          1HB       CYS   8 232.015  19.337   2.324
   53   2HB   CYS   8          2HB       CYS   8 232.861  20.123   1.001
   54    H    GLY   9           H        GLY   9 229.220  17.851  -0.726
   55   1HA   GLY   9          2HA       GLY   9 227.624  16.579   1.051
   56   2HA   GLY   9          1HA       GLY   9 226.949  18.213   1.102
   57    H    GLY  10           H        GLY  10 224.968  17.310   0.348
   58   1HA   GLY  10          2HA       GLY  10 223.319  16.831  -1.177
   59   2HA   GLY  10          1HA       GLY  10 224.213  17.956  -2.173
   60    H    ILE  11           H        ILE  11 223.644  16.974  -4.153
   61    HA   ILE  11           HA       ILE  11 223.832  14.212  -4.792
   62    HB   ILE  11           HB       ILE  11 224.126  16.618  -6.604
   63   1HG1  ILE  11          1HG1      ILE  11 221.846  14.616  -6.180
   64   2HG1  ILE  11          2HG1      ILE  11 221.894  16.256  -5.525
   65   1HG2  ILE  11          2HG2      ILE  11 225.308  14.673  -7.657
   66   2HG2  ILE  11          3HG2      ILE  11 223.860  13.678  -7.415
   67   3HG2  ILE  11          1HG2      ILE  11 223.850  15.066  -8.516
   68   1HD1  ILE  11          2HD1      ILE  11 221.970  17.161  -7.867
   69   2HD1  ILE  11          3HD1      ILE  11 221.742  15.508  -8.487
   70   3HD1  ILE  11          1HD1      ILE  11 220.492  16.253  -7.499
   71    H    GLY  12           H        GLY  12 225.578  13.033  -4.209
   72   1HA   GLY  12          1HA       GLY  12 227.277  11.811  -5.226
   73   2HA   GLY  12          2HA       GLY  12 227.758  13.196  -6.183
   74    H    TYR  13           H        TYR  13 228.390  15.053  -4.054
   75    HA   TYR  13           HA       TYR  13 231.052  14.050  -3.522
   76   1HB   TYR  13          1HB       TYR  13 230.358  16.404  -4.155
   77   2HB   TYR  13          2HB       TYR  13 230.012  16.659  -2.457
   78    HD1  TYR  13           HD1      TYR  13 232.010  16.465  -0.773
   79    HD2  TYR  13           HD2      TYR  13 232.595  16.278  -5.055
   80    HE1  TYR  13           HE1      TYR  13 234.374  17.173  -0.488
   81    HE2  TYR  13           HE2      TYR  13 234.970  16.971  -4.736
   82    HH   TYR  13           HH       TYR  13 236.105  18.279  -1.752
   83    H    SER  14           H        SER  14 230.175  12.178  -2.263
   84    HA   SER  14           HA       SER  14 230.639  12.608   0.679
   85   1HB   SER  14          2HB       SER  14 230.530  10.042  -0.972
   86   2HB   SER  14          1HB       SER  14 230.818  10.146   0.768
   87    HG   SER  14           HG       SER  14 228.494  11.205  -0.485
   88    H    GLY  15           H        GLY  15 232.534  13.986   0.124
   89   1HA   GLY  15          1HA       GLY  15 234.967  12.466  -0.803
   90   2HA   GLY  15          2HA       GLY  15 234.386  13.910  -1.645
   91    HA   PRO  16           HA       PRO  16 237.777  14.774   1.441
   92   1HB   PRO  16          1HB       PRO  16 238.893  16.335  -0.895
   93   2HB   PRO  16          2HB       PRO  16 239.736  15.317   0.304
   94   1HG   PRO  16          2HG       PRO  16 239.236  14.366  -2.183
   95   2HG   PRO  16          1HG       PRO  16 238.933  13.315  -0.768
   96   1HD   PRO  16          2HD       PRO  16 236.901  14.990  -2.285
   97   2HD   PRO  16          1HD       PRO  16 236.823  13.270  -1.855
   98    H    THR  17           H        THR  17 236.074  15.963   2.546
   99    HA   THR  17           HA       THR  17 235.179  18.564   1.990
  100    HB   THR  17           HB       THR  17 234.430  18.621   4.329
  101    HG1  THR  17           HG1      THR  17 235.081  16.916   5.711
  102   1HG2  THR  17          2HG2      THR  17 233.307  17.062   2.629
  103   2HG2  THR  17          3HG2      THR  17 234.176  15.734   3.423
  104   3HG2  THR  17          1HG2      THR  17 233.033  16.714   4.349
  105    H    VAL  18           H        VAL  18 238.271  18.445   2.074
  106    HA   VAL  18           HA       VAL  18 239.044  19.775   4.549
  107    HB   VAL  18           HB       VAL  18 240.782  19.082   2.150
  108   1HG1  VAL  18          1HG2      VAL  18 241.427  19.379   5.127
  109   2HG1  VAL  18          2HG2      VAL  18 242.567  18.883   3.864
  110   3HG1  VAL  18          3HG2      VAL  18 241.913  20.523   3.865
  111   1HG2  VAL  18          1HG1      VAL  18 239.981  17.320   4.510
  112   2HG2  VAL  18          2HG1      VAL  18 239.660  17.003   2.794
  113   3HG2  VAL  18          3HG1      VAL  18 241.314  16.971   3.396
  114    H    CYS  19           H        CYS  19 237.513  21.605   3.873
  115    HA   CYS  19           HA       CYS  19 238.074  23.568   1.957
  116   1HB   CYS  19          1HB       CYS  19 235.938  23.254   3.150
  117   2HB   CYS  19          2HB       CYS  19 236.690  23.844   4.632
  118    H    ALA  20           H        ALA  20 238.722  25.877   2.295
  119    HA   ALA  20           HA       ALA  20 241.301  26.206   3.592
  120   1HB   ALA  20          2HB       ALA  20 240.754  27.328   1.499
  121   2HB   ALA  20          3HB       ALA  20 239.422  28.202   2.279
  122   3HB   ALA  20          1HB       ALA  20 241.092  28.522   2.768
  123    H    SER  21           H        SER  21 240.348  25.406   5.692
  124    HA   SER  21           HA       SER  21 238.999  26.130   7.710
  125   1HB   SER  21          1HB       SER  21 240.988  24.830   8.038
  126   2HB   SER  21          2HB       SER  21 242.030  26.251   7.824
  127    HG   SER  21           HG       SER  21 241.089  27.137   9.717
  128    H    GLY  22           H        GLY  22 237.896  28.060   7.294
  129   1HA   GLY  22          1HA       GLY  22 238.254  30.546   8.549
  130   2HA   GLY  22          2HA       GLY  22 239.241  30.604   7.073
  131    H    THR  23           H        THR  23 238.002  29.392   5.183
  132    HA   THR  23           HA       THR  23 235.084  29.997   5.118
  133    HB   THR  23           HB       THR  23 235.037  29.171   2.871
  134    HG1  THR  23           HG1      THR  23 236.859  28.573   1.796
  135   1HG2  THR  23          3HG2      THR  23 235.729  31.569   3.255
  136   2HG2  THR  23          1HG2      THR  23 237.420  31.067   3.164
  137   3HG2  THR  23          2HG2      THR  23 236.374  30.897   1.745
  138    H    THR  24           H        THR  24 233.679  28.173   4.785
  139    HA   THR  24           HA       THR  24 234.426  26.044   6.757
  140    HB   THR  24           HB       THR  24 232.319  26.427   7.792
  141    HG1  THR  24           HG1      THR  24 231.802  28.338   5.748
  142   1HG2  THR  24          2HG2      THR  24 234.125  28.026   8.375
  143   2HG2  THR  24          3HG2      THR  24 233.550  29.146   7.127
  144   3HG2  THR  24          1HG2      THR  24 232.519  28.765   8.505
  145    H    CYS  25           H        CYS  25 231.261  25.817   5.838
  146    HA   CYS  25           HA       CYS  25 231.070  24.127   3.661
  147   1HB   CYS  25          1HB       CYS  25 232.531  22.468   4.820
  148   2HB   CYS  25          2HB       CYS  25 231.316  22.347   6.094
  149    H    GLN  26           H        GLN  26 229.352  25.674   3.792
  150    HA   GLN  26           HA       GLN  26 227.237  25.395   5.822
  151   1HB   GLN  26          1HB       GLN  26 228.842  27.514   4.889
  152   2HB   GLN  26          2HB       GLN  26 227.295  27.852   4.145
  153   1HG   GLN  26          2HG       GLN  26 226.198  27.910   6.316
  154   2HG   GLN  26          1HG       GLN  26 227.618  27.229   7.124
  155   1HE2  GLN  26          2HE2      GLN  26 229.469  30.342   6.902
  156   2HE2  GLN  26          1HE2      GLN  26 229.793  28.638   6.620
  157    H    VAL  27           H        VAL  27 225.136  24.955   5.376
  158    HA   VAL  27           HA       VAL  27 224.379  23.709   2.958
  159    HB   VAL  27           HB       VAL  27 222.617  24.658   5.209
  160   1HG1  VAL  27          1HG2      VAL  27 222.176  22.524   3.055
  161   2HG1  VAL  27          2HG2      VAL  27 221.092  22.855   4.421
  162   3HG1  VAL  27          3HG2      VAL  27 221.305  24.069   3.160
  163   1HG2  VAL  27          1HG1      VAL  27 224.003  21.977   4.732
  164   2HG2  VAL  27          2HG1      VAL  27 224.405  23.127   6.018
  165   3HG2  VAL  27          3HG1      VAL  27 222.838  22.321   6.022
  166    H    LEU  28           H        LEU  28 224.320  24.840   1.028
  167    HA   LEU  28           HA       LEU  28 222.535  27.264   0.822
  168   1HB   LEU  28          1HB       LEU  28 224.771  26.326  -1.007
  169   2HB   LEU  28          2HB       LEU  28 223.737  27.743  -1.266
  170    HG   LEU  28           HG       LEU  28 225.804  27.377   0.926
  171   1HD1  LEU  28          2HD1      LEU  28 226.525  27.867  -1.450
  172   2HD1  LEU  28          3HD1      LEU  28 225.618  29.381  -1.378
  173   3HD1  LEU  28          1HD1      LEU  28 226.989  29.102  -0.280
  174   1HD2  LEU  28          2HD2      LEU  28 223.899  29.713   0.399
  175   2HD2  LEU  28          3HD2      LEU  28 223.930  28.701   1.861
  176   3HD2  LEU  28          1HD2      LEU  28 225.291  29.766   1.498
  177    H    ASN  29           H        ASN  29 223.358  24.263  -0.985
  178    HA   ASN  29           HA       ASN  29 220.787  24.473  -2.476
  179   1HB   ASN  29          1HB       ASN  29 222.004  24.639  -4.646
  180   2HB   ASN  29          2HB       ASN  29 222.315  26.005  -3.594
  181   1HD2  ASN  29          2HD2      ASN  29 225.815  25.431  -3.761
  182   2HD2  ASN  29          1HD2      ASN  29 224.520  26.516  -3.337
  183    HA   PRO  30           HA       PRO  30 220.548  20.139  -2.644
  184   1HB   PRO  30          1HB       PRO  30 219.968  19.540  -5.347
  185   2HB   PRO  30          2HB       PRO  30 218.825  20.050  -4.085
  186   1HG   PRO  30          2HG       PRO  30 220.257  21.788  -6.110
  187   2HG   PRO  30          1HG       PRO  30 218.525  21.811  -5.670
  188   1HD   PRO  30          1HD       PRO  30 220.144  23.626  -4.624
  189   2HD   PRO  30          2HD       PRO  30 219.025  22.808  -3.523
  190    H    TYR  31           H        TYR  31 223.106  21.474  -4.610
  191    HA   TYR  31           HA       TYR  31 224.539  18.865  -4.753
  192   1HB   TYR  31          2HB       TYR  31 225.393  21.622  -5.708
  193   2HB   TYR  31          1HB       TYR  31 226.261  20.114  -5.931
  194    HD1  TYR  31           HD1      TYR  31 223.187  21.999  -6.867
  195    HD2  TYR  31           HD2      TYR  31 225.601  18.496  -7.627
  196    HE1  TYR  31           HE1      TYR  31 221.752  21.429  -8.818
  197    HE2  TYR  31           HE2      TYR  31 224.180  17.961  -9.607
  198    HH   TYR  31           HH       TYR  31 221.477  20.055 -10.586
  199    H    ALA  32           H        ALA  32 224.826  22.076  -3.213
  200    HA   ALA  32           HA       ALA  32 227.059  21.050  -1.506
  201   1HB   ALA  32          2HB       ALA  32 227.666  22.664  -3.276
  202   2HB   ALA  32          3HB       ALA  32 226.625  23.864  -2.491
  203   3HB   ALA  32          1HB       ALA  32 228.039  23.211  -1.640
  204    H    SER  33           H        SER  33 226.436  20.690   0.427
  205    HA   SER  33           HA       SER  33 226.128  23.202   1.927
  206   1HB   SER  33          1HB       SER  33 225.788  21.046   3.238
  207   2HB   SER  33          2HB       SER  33 227.511  20.712   2.989
  208    HG   SER  33           HG       SER  33 227.839  22.180   4.556
  209    H    GLN  34           H        GLN  34 227.859  24.505   2.021
  210    HA   GLN  34           HA       GLN  34 229.858  23.951  -0.124
  211   1HB   GLN  34          2HB       GLN  34 227.602  25.215  -0.556
  212   2HB   GLN  34          1HB       GLN  34 228.349  26.562   0.288
  213   1HG   GLN  34          1HG       GLN  34 230.222  26.572  -1.321
  214   2HG   GLN  34          2HG       GLN  34 229.661  25.063  -2.046
  215   1HE2  GLN  34          2HE2      GLN  34 228.258  28.357  -3.680
  216   2HE2  GLN  34          1HE2      GLN  34 229.607  28.402  -2.543
  217    H    CYS  35           H        CYS  35 231.884  24.734  -0.054
  218    HA   CYS  35           HA       CYS  35 233.014  25.705   2.426
  219   1HB   CYS  35          1HB       CYS  35 234.136  24.175   0.956
  220   2HB   CYS  35          2HB       CYS  35 234.080  25.329  -0.388
  221    H    LEU  36           H        LEU  36 231.331  27.570   2.463
  222    HA   LEU  36           HA       LEU  36 232.382  30.116   1.325
  223   1HB   LEU  36          1HB       LEU  36 229.901  29.674   3.043
  224   2HB   LEU  36          2HB       LEU  36 230.531  31.202   2.452
  225    HG   LEU  36           HG       LEU  36 229.044  29.088   0.951
  226   1HD1  LEU  36          3HD2      LEU  36 227.895  31.135   1.828
  227   2HD1  LEU  36          1HD2      LEU  36 229.018  32.155   0.907
  228   3HD1  LEU  36          2HD2      LEU  36 227.880  31.111   0.057
  229   1HD2  LEU  36          1HD1      LEU  36 230.954  31.046  -0.395
  230   2HD2  LEU  36          2HD1      LEU  36 231.037  29.268  -0.429
  231   3HD2  LEU  36          3HD1      LEU  36 229.685  30.103  -1.201
   
  No H/Q in entry =         231
  Start of MODEL   17
    1   1H    THR   1          3H        THR   1 240.991  18.000  -1.707
    2   2H    THR   1          1H        THR   1 241.200  17.563  -0.115
    3   3H    THR   1          2H        THR   1 239.703  17.530  -0.759
    4    HA   THR   1           HA       THR   1 239.693  19.360   0.537
    5    HB   THR   1           HB       THR   1 242.472  20.166  -0.427
    6    HG1  THR   1           HG1      THR   1 242.932  19.261   1.751
    7   1HG2  THR   1          3HG2      THR   1 240.730  21.002   1.945
    8   2HG2  THR   1          1HG2      THR   1 242.441  21.411   1.786
    9   3HG2  THR   1          2HG2      THR   1 241.282  22.052   0.630
   10    H    GLN   2           H        GLN   2 239.039  21.565   0.140
   11    HA   GLN   2           HA       GLN   2 239.181  22.662  -2.619
   12   1HB   GLN   2          2HB       GLN   2 236.710  22.159  -0.913
   13   2HB   GLN   2          1HB       GLN   2 236.727  23.363  -2.186
   14   1HG   GLN   2          1HG       GLN   2 237.539  20.540  -2.951
   15   2HG   GLN   2          2HG       GLN   2 235.851  20.889  -2.607
   16   1HE2  GLN   2          2HE2      GLN   2 237.355  22.437  -6.023
   17   2HE2  GLN   2          1HE2      GLN   2 238.528  21.767  -4.882
   18    H    SER   3           H        SER   3 238.295  24.983  -2.535
   19    HA   SER   3           HA       SER   3 238.843  26.415   0.029
   20   1HB   SER   3          1HB       SER   3 240.812  26.694  -1.493
   21   2HB   SER   3          2HB       SER   3 239.737  27.370  -2.727
   22    HG   SER   3           HG       SER   3 240.177  28.462  -0.111
   23    H    HIS   4           H        HIS   4 238.183  28.954  -1.455
   24    HA   HIS   4           HA       HIS   4 235.574  29.262  -0.646
   25   1HB   HIS   4          1HB       HIS   4 237.236  31.058  -1.269
   26   2HB   HIS   4          2HB       HIS   4 236.852  30.778  -2.967
   27    HD2  HIS   4           HD2      HIS   4 234.531  31.314   0.200
   28    HE1  HIS   4           HE1      HIS   4 233.455  34.115  -2.782
   29    HE2  HIS   4           HE2      HIS   4 232.937  33.299  -0.406
   30    H    TYR   5           H        TYR   5 233.550  29.032  -1.435
   31    HA   TYR   5           HA       TYR   5 231.848  27.999  -2.426
   32   1HB   TYR   5          2HB       TYR   5 233.230  28.723  -5.029
   33   2HB   TYR   5          1HB       TYR   5 231.536  28.313  -4.863
   34    HD1  TYR   5           HD2      TYR   5 230.667  29.873  -2.457
   35    HD2  TYR   5           HD1      TYR   5 233.180  30.977  -5.806
   36    HE1  TYR   5           HE2      TYR   5 229.865  32.208  -2.301
   37    HE2  TYR   5           HE1      TYR   5 232.330  33.311  -5.647
   38    HH   TYR   5           HH       TYR   5 229.939  34.279  -3.193
   39    H    GLY   6           H        GLY   6 234.244  26.275  -1.863
   40   1HA   GLY   6          1HA       GLY   6 234.106  23.996  -3.559
   41   2HA   GLY   6          2HA       GLY   6 234.657  24.035  -1.886
   42    H    GLN   7           H        GLN   7 232.746  22.295  -3.699
   43    HA   GLN   7           HA       GLN   7 230.339  22.012  -2.144
   44   1HB   GLN   7          1HB       GLN   7 230.335  21.418  -4.447
   45   2HB   GLN   7          2HB       GLN   7 231.639  20.241  -4.235
   46   1HG   GLN   7          2HG       GLN   7 230.154  18.804  -2.877
   47   2HG   GLN   7          1HG       GLN   7 228.844  19.990  -3.000
   48   1HE2  GLN   7          2HE2      GLN   7 228.165  17.305  -5.469
   49   2HE2  GLN   7          1HE2      GLN   7 228.219  17.416  -3.716
   50    H    CYS   8           H        CYS   8 230.076  21.083  -0.239
   51    HA   CYS   8           HA       CYS   8 231.075  18.317   0.178
   52   1HB   CYS   8          1HB       CYS   8 230.950  19.197   2.780
   53   2HB   CYS   8          2HB       CYS   8 232.392  18.982   1.827
   54    H    GLY   9           H        GLY   9 229.057  18.193  -1.060
   55   1HA   GLY   9          2HA       GLY   9 226.896  17.362   0.734
   56   2HA   GLY   9          1HA       GLY   9 226.432  18.634  -0.396
   57    H    GLY  10           H        GLY  10 225.029  16.458  -0.624
   58   1HA   GLY  10          1HA       GLY  10 225.947  14.033  -1.319
   59   2HA   GLY  10          2HA       GLY  10 224.349  14.595  -1.775
   60    H    ILE  11           H        ILE  11 224.776  16.262  -3.933
   61    HA   ILE  11           HA       ILE  11 224.552  14.281  -5.864
   62    HB   ILE  11           HB       ILE  11 224.923  17.260  -6.225
   63   1HG1  ILE  11          2HG1      ILE  11 222.544  15.336  -6.131
   64   2HG1  ILE  11          1HG1      ILE  11 222.904  16.669  -5.029
   65   1HG2  ILE  11          2HG2      ILE  11 225.614  16.122  -8.341
   66   2HG2  ILE  11          3HG2      ILE  11 224.082  15.223  -8.342
   67   3HG2  ILE  11          1HG2      ILE  11 224.112  16.989  -8.534
   68   1HD1  ILE  11          2HD1      ILE  11 222.527  18.261  -6.960
   69   2HD1  ILE  11          3HD1      ILE  11 221.962  16.875  -7.920
   70   3HD1  ILE  11          1HD1      ILE  11 221.100  17.337  -6.454
   71    H    GLY  12           H        GLY  12 225.901  12.966  -6.781
   72   1HA   GLY  12          1HA       GLY  12 227.757  11.958  -7.663
   73   2HA   GLY  12          2HA       GLY  12 228.191  13.544  -8.309
   74    H    TYR  13           H        TYR  13 228.022  12.673  -4.843
   75    HA   TYR  13           HA       TYR  13 230.927  13.329  -4.618
   76   1HB   TYR  13          1HB       TYR  13 228.737  15.023  -4.159
   77   2HB   TYR  13          2HB       TYR  13 229.081  14.421  -2.565
   78    HD1  TYR  13           HD1      TYR  13 230.788  15.788  -5.626
   79    HD2  TYR  13           HD2      TYR  13 230.687  15.706  -1.306
   80    HE1  TYR  13           HE1      TYR  13 232.726  17.357  -5.545
   81    HE2  TYR  13           HE2      TYR  13 232.660  17.228  -1.246
   82    HH   TYR  13           HH       TYR  13 233.686  18.872  -2.611
   83    H    SER  14           H        SER  14 231.634  13.451  -2.379
   84    HA   SER  14           HA       SER  14 230.688  11.632  -0.347
   85   1HB   SER  14          2HB       SER  14 233.196  10.796  -1.865
   86   2HB   SER  14          1HB       SER  14 232.876  10.282  -0.198
   87    HG   SER  14           HG       SER  14 230.846   9.913  -2.099
   88    H    GLY  15           H        GLY  15 233.517  13.495  -1.459
   89   1HA   GLY  15          2HA       GLY  15 234.213  15.512  -0.598
   90   2HA   GLY  15          1HA       GLY  15 233.136  15.319   0.768
   91    HA   PRO  16           HA       PRO  16 237.685  14.132   2.099
   92   1HB   PRO  16          1HB       PRO  16 238.958  14.508  -0.638
   93   2HB   PRO  16          2HB       PRO  16 239.520  13.510   0.731
   94   1HG   PRO  16          2HG       PRO  16 238.258  12.327  -1.339
   95   2HG   PRO  16          1HG       PRO  16 237.745  11.911   0.321
   96   1HD   PRO  16          2HD       PRO  16 236.453  13.948  -1.552
   97   2HD   PRO  16          1HD       PRO  16 235.700  12.591  -0.659
   98    H    THR  17           H        THR  17 236.402  16.219   2.582
   99    HA   THR  17           HA       THR  17 237.610  18.732   1.471
  100    HB   THR  17           HB       THR  17 235.174  19.537   1.249
  101    HG1  THR  17           HG1      THR  17 234.099  17.903   2.326
  102   1HG2  THR  17          2HG2      THR  17 236.562  18.997  -0.693
  103   2HG2  THR  17          3HG2      THR  17 236.094  17.284  -0.573
  104   3HG2  THR  17          1HG2      THR  17 234.874  18.517  -0.905
  105    H    VAL  18           H        VAL  18 238.409  18.040   3.969
  106    HA   VAL  18           HA       VAL  18 237.231  19.984   5.829
  107    HB   VAL  18           HB       VAL  18 240.028  18.800   5.628
  108   1HG1  VAL  18          1HG2      VAL  18 238.728  20.450   7.853
  109   2HG1  VAL  18          2HG2      VAL  18 240.304  19.638   7.953
  110   3HG1  VAL  18          3HG2      VAL  18 240.078  20.977   6.828
  111   1HG2  VAL  18          2HG1      VAL  18 238.286  17.101   6.167
  112   2HG2  VAL  18          3HG1      VAL  18 239.320  17.428   7.560
  113   3HG2  VAL  18          1HG1      VAL  18 237.692  18.128   7.485
  114    H    CYS  19           H        CYS  19 236.809  21.822   4.617
  115    HA   CYS  19           HA       CYS  19 238.409  22.758   2.522
  116   1HB   CYS  19          1HB       CYS  19 235.831  23.160   3.339
  117   2HB   CYS  19          2HB       CYS  19 236.509  24.736   3.731
  118    H    ALA  20           H        ALA  20 239.056  25.121   2.165
  119    HA   ALA  20           HA       ALA  20 241.330  25.749   3.749
  120   1HB   ALA  20          2HB       ALA  20 241.102  26.292   1.367
  121   2HB   ALA  20          3HB       ALA  20 239.858  27.504   1.761
  122   3HB   ALA  20          1HB       ALA  20 241.523  27.716   2.332
  123    H    SER  21           H        SER  21 240.305  25.745   5.902
  124    HA   SER  21           HA       SER  21 238.700  27.379   7.231
  125   1HB   SER  21          1HB       SER  21 240.177  25.788   8.314
  126   2HB   SER  21          2HB       SER  21 241.573  26.861   8.104
  127    HG   SER  21           HG       SER  21 240.558  28.344   9.516
  128    H    GLY  22           H        GLY  22 238.255  29.428   7.574
  129   1HA   GLY  22          1HA       GLY  22 238.898  31.922   7.448
  130   2HA   GLY  22          2HA       GLY  22 239.842  31.457   6.027
  131    H    THR  23           H        THR  23 238.270  29.580   4.862
  132    HA   THR  23           HA       THR  23 235.555  30.721   4.308
  133    HB   THR  23           HB       THR  23 235.526  29.439   2.246
  134    HG1  THR  23           HG1      THR  23 238.062  28.548   3.133
  135   1HG2  THR  23          2HG2      THR  23 236.552  31.674   2.136
  136   2HG2  THR  23          3HG2      THR  23 238.153  30.992   2.480
  137   3HG2  THR  23          1HG2      THR  23 237.312  30.557   0.985
  138    H    THR  24           H        THR  24 233.778  29.338   4.443
  139    HA   THR  24           HA       THR  24 234.096  27.041   6.338
  140    HB   THR  24           HB       THR  24 232.362  28.002   7.671
  141    HG1  THR  24           HG1      THR  24 232.264  30.055   5.710
  142   1HG2  THR  24          2HG2      THR  24 234.678  28.831   8.072
  143   2HG2  THR  24          3HG2      THR  24 234.382  30.181   6.955
  144   3HG2  THR  24          1HG2      THR  24 233.443  30.056   8.443
  145    H    CYS  25           H        CYS  25 233.269  25.203   5.611
  146    HA   CYS  25           HA       CYS  25 231.365  24.818   3.536
  147   1HB   CYS  25          1HB       CYS  25 233.064  23.190   4.132
  148   2HB   CYS  25          2HB       CYS  25 232.307  22.944   5.709
  149    H    GLN  26           H        GLN  26 229.435  26.092   4.016
  150    HA   GLN  26           HA       GLN  26 227.664  24.973   6.181
  151   1HB   GLN  26          1HB       GLN  26 227.929  27.826   5.179
  152   2HB   GLN  26          2HB       GLN  26 226.735  27.252   6.355
  153   1HG   GLN  26          2HG       GLN  26 228.664  26.392   7.784
  154   2HG   GLN  26          1HG       GLN  26 229.770  27.227   6.695
  155   1HE2  GLN  26          2HE2      GLN  26 229.247  30.261   8.453
  156   2HE2  GLN  26          1HE2      GLN  26 230.218  29.429   7.235
  157    H    VAL  27           H        VAL  27 225.501  24.711   5.914
  158    HA   VAL  27           HA       VAL  27 224.657  23.720   3.418
  159    HB   VAL  27           HB       VAL  27 222.441  23.409   4.507
  160   1HG1  VAL  27          1HG2      VAL  27 224.934  22.423   5.962
  161   2HG1  VAL  27          2HG2      VAL  27 223.319  21.701   6.084
  162   3HG1  VAL  27          3HG2      VAL  27 224.174  21.696   4.532
  163   1HG2  VAL  27          2HG1      VAL  27 222.480  25.320   6.127
  164   2HG2  VAL  27          3HG1      VAL  27 222.209  23.758   6.906
  165   3HG2  VAL  27          1HG1      VAL  27 223.793  24.525   7.011
  166    H    LEU  28           H        LEU  28 224.117  24.702   1.634
  167    HA   LEU  28           HA       LEU  28 222.387  27.178   1.649
  168   1HB   LEU  28          1HB       LEU  28 224.623  26.361  -0.252
  169   2HB   LEU  28          2HB       LEU  28 223.553  27.746  -0.486
  170    HG   LEU  28           HG       LEU  28 225.589  27.399   1.740
  171   1HD1  LEU  28          2HD1      LEU  28 226.336  27.908  -0.634
  172   2HD1  LEU  28          3HD1      LEU  28 225.439  29.427  -0.541
  173   3HD1  LEU  28          1HD1      LEU  28 226.796  29.122   0.569
  174   1HD2  LEU  28          2HD2      LEU  28 223.594  29.658   1.214
  175   2HD2  LEU  28          3HD2      LEU  28 223.722  28.665   2.683
  176   3HD2  LEU  28          1HD2      LEU  28 225.006  29.798   2.281
  177    H    ASN  29           H        ASN  29 223.286  24.442  -0.495
  178    HA   ASN  29           HA       ASN  29 220.769  24.919  -2.063
  179   1HB   ASN  29          1HB       ASN  29 222.177  25.152  -4.078
  180   2HB   ASN  29          2HB       ASN  29 222.630  26.320  -2.857
  181   1HD2  ASN  29          2HD2      ASN  29 225.970  25.235  -3.302
  182   2HD2  ASN  29          1HD2      ASN  29 224.873  26.604  -3.096
  183    HA   PRO  30           HA       PRO  30 220.449  20.551  -2.509
  184   1HB   PRO  30          1HB       PRO  30 219.212  20.141  -4.905
  185   2HB   PRO  30          2HB       PRO  30 218.447  21.044  -3.577
  186   1HG   PRO  30          2HG       PRO  30 220.036  22.223  -5.891
  187   2HG   PRO  30          1HG       PRO  30 218.355  22.615  -5.428
  188   1HD   PRO  30          2HD       PRO  30 220.362  24.138  -4.532
  189   2HD   PRO  30          1HD       PRO  30 219.074  23.670  -3.395
  190    H    TYR  31           H        TYR  31 223.115  21.543  -3.241
  191    HA   TYR  31           HA       TYR  31 224.097  19.113  -4.651
  192   1HB   TYR  31          2HB       TYR  31 225.124  21.943  -5.166
  193   2HB   TYR  31          1HB       TYR  31 225.881  20.468  -5.720
  194    HD1  TYR  31           HD1      TYR  31 222.903  22.677  -6.124
  195    HD2  TYR  31           HD2      TYR  31 225.150  19.353  -7.732
  196    HE1  TYR  31           HE1      TYR  31 221.623  22.830  -8.266
  197    HE2  TYR  31           HE2      TYR  31 223.864  19.519  -9.855
  198    HH   TYR  31           HH       TYR  31 222.282  20.645 -10.993
  199    H    ALA  32           H        ALA  32 224.919  21.964  -2.730
  200    HA   ALA  32           HA       ALA  32 227.121  20.557  -1.286
  201   1HB   ALA  32          2HB       ALA  32 227.799  22.206  -3.004
  202   2HB   ALA  32          3HB       ALA  32 226.880  23.454  -2.150
  203   3HB   ALA  32          1HB       ALA  32 228.271  22.690  -1.368
  204    H    SER  33           H        SER  33 227.033  20.511   0.887
  205    HA   SER  33           HA       SER  33 226.347  23.038   2.281
  206   1HB   SER  33          1HB       SER  33 226.328  20.940   3.636
  207   2HB   SER  33          2HB       SER  33 228.057  20.759   3.349
  208    HG   SER  33           HG       SER  33 228.451  22.461   4.644
  209    H    GLN  34           H        GLN  34 227.773  24.705   2.096
  210    HA   GLN  34           HA       GLN  34 229.811  24.346  -0.051
  211   1HB   GLN  34          1HB       GLN  34 227.537  25.259  -0.640
  212   2HB   GLN  34          2HB       GLN  34 227.796  26.538   0.542
  213   1HG   GLN  34          2HG       GLN  34 228.234  27.480  -1.614
  214   2HG   GLN  34          1HG       GLN  34 229.793  27.333  -0.822
  215   1HE2  GLN  34          2HE2      GLN  34 230.284  26.201  -4.246
  216   2HE2  GLN  34          1HE2      GLN  34 229.674  27.712  -3.564
  217    H    CYS  35           H        CYS  35 231.818  25.204   0.208
  218    HA   CYS  35           HA       CYS  35 232.628  26.559   2.608
  219   1HB   CYS  35          2HB       CYS  35 234.163  26.519   0.047
  220   2HB   CYS  35          1HB       CYS  35 234.780  26.726   1.683
  221    H    LEU  36           H        LEU  36 231.365  28.458   2.961
  222    HA   LEU  36           HA       LEU  36 231.908  30.828   1.210
  223   1HB   LEU  36          1HB       LEU  36 230.284  30.549   3.760
  224   2HB   LEU  36          2HB       LEU  36 230.494  32.030   2.823
  225    HG   LEU  36           HG       LEU  36 229.075  29.495   1.881
  226   1HD1  LEU  36          1HD2      LEU  36 228.065  32.275   2.649
  227   2HD1  LEU  36          2HD2      LEU  36 227.066  31.011   1.923
  228   3HD1  LEU  36          3HD2      LEU  36 227.777  30.758   3.527
  229   1HD2  LEU  36          1HD1      LEU  36 229.541  32.158   0.446
  230   2HD2  LEU  36          2HD1      LEU  36 230.098  30.553  -0.074
  231   3HD2  LEU  36          3HD1      LEU  36 228.376  30.931  -0.078
   
  No H/Q in entry =         231
  Start of MODEL   18
    1   1H    THR   1          1H        THR   1 245.692  23.536   0.019
    2   2H    THR   1          2H        THR   1 245.236  23.863   1.565
    3   3H    THR   1          3H        THR   1 245.594  22.313   1.154
    4    HA   THR   1           HA       THR   1 243.582  22.145  -0.094
    5    HB   THR   1           HB       THR   1 241.878  23.034   1.682
    6    HG1  THR   1           HG1      THR   1 242.862  23.802   3.555
    7   1HG2  THR   1          2HG2      THR   1 242.800  20.705   1.838
    8   2HG2  THR   1          3HG2      THR   1 244.187  21.330   2.758
    9   3HG2  THR   1          1HG2      THR   1 242.551  21.447   3.418
   10    H    GLN   2           H        GLN   2 241.367  23.263  -0.601
   11    HA   GLN   2           HA       GLN   2 241.879  25.911  -1.856
   12   1HB   GLN   2          1HB       GLN   2 240.090  25.471  -3.262
   13   2HB   GLN   2          2HB       GLN   2 240.913  23.935  -3.115
   14   1HG   GLN   2          2HG       GLN   2 238.610  23.400  -3.002
   15   2HG   GLN   2          1HG       GLN   2 239.155  23.285  -1.328
   16   1HE2  GLN   2          2HE2      GLN   2 236.622  25.557  -0.435
   17   2HE2  GLN   2          1HE2      GLN   2 237.334  23.984  -0.088
   18    H    SER   3           H        SER   3 239.828  27.434  -1.727
   19    HA   SER   3           HA       SER   3 238.875  27.608   1.137
   20   1HB   SER   3          1HB       SER   3 240.546  29.288   0.965
   21   2HB   SER   3          2HB       SER   3 239.934  29.861  -0.598
   22    HG   SER   3           HG       SER   3 238.503  29.932   1.891
   23    H    HIS   4           H        HIS   4 237.922  29.893  -1.269
   24    HA   HIS   4           HA       HIS   4 235.198  29.514  -0.794
   25   1HB   HIS   4          1HB       HIS   4 236.592  31.582  -1.530
   26   2HB   HIS   4          2HB       HIS   4 236.325  31.029  -3.184
   27    HD2  HIS   4           HD2      HIS   4 233.111  30.424  -1.313
   28    HE1  HIS   4           HE1      HIS   4 232.961  34.503  -2.432
   29    HE2  HIS   4           HE2      HIS   4 231.606  32.572  -1.483
   30    H    TYR   5           H        TYR   5 233.827  28.080  -1.580
   31    HA   TYR   5           HA       TYR   5 232.440  27.080  -3.022
   32   1HB   TYR   5          2HB       TYR   5 234.313  27.621  -5.340
   33   2HB   TYR   5          1HB       TYR   5 232.648  27.113  -5.418
   34    HD1  TYR   5           HD1      TYR   5 230.865  28.631  -4.192
   35    HD2  TYR   5           HD2      TYR   5 234.736  29.977  -5.563
   36    HE1  TYR   5           HE1      TYR   5 230.039  30.978  -4.240
   37    HE2  TYR   5           HE2      TYR   5 233.900  32.315  -5.603
   38    HH   TYR   5           HH       TYR   5 232.201  33.680  -5.070
   39    H    GLY   6           H        GLY   6 233.792  25.442  -1.477
   40   1HA   GLY   6          2HA       GLY   6 234.406  22.969  -3.101
   41   2HA   GLY   6          1HA       GLY   6 234.921  23.279  -1.454
   42    H    GLN   7           H        GLN   7 233.017  21.213  -2.991
   43    HA   GLN   7           HA       GLN   7 230.511  21.315  -1.581
   44   1HB   GLN   7          1HB       GLN   7 230.858  20.246  -3.785
   45   2HB   GLN   7          2HB       GLN   7 231.861  19.002  -3.026
   46   1HG   GLN   7          2HG       GLN   7 229.893  18.218  -1.714
   47   2HG   GLN   7          1HG       GLN   7 228.909  19.501  -2.430
   48   1HE2  GLN   7          2HE2      GLN   7 227.939  16.619  -4.391
   49   2HE2  GLN   7          1HE2      GLN   7 227.642  17.363  -2.820
   50    H    CYS   8           H        CYS   8 229.925  20.601   0.370
   51    HA   CYS   8           HA       CYS   8 231.680  18.811   2.022
   52   1HB   CYS   8          1HB       CYS   8 229.876  21.065   2.941
   53   2HB   CYS   8          2HB       CYS   8 230.982  20.113   3.925
   54    H    GLY   9           H        GLY   9 228.823  18.561   0.402
   55   1HA   GLY   9          1HA       GLY   9 227.902  16.223   1.684
   56   2HA   GLY   9          2HA       GLY   9 226.928  17.569   2.299
   57    H    GLY  10           H        GLY  10 225.003  16.859   1.243
   58   1HA   GLY  10          2HA       GLY  10 223.399  16.919  -0.382
   59   2HA   GLY  10          1HA       GLY  10 224.418  18.063  -1.239
   60    H    ILE  11           H        ILE  11 223.419  17.092  -3.168
   61    HA   ILE  11           HA       ILE  11 223.353  14.361  -3.777
   62    HB   ILE  11           HB       ILE  11 223.369  16.762  -5.620
   63   1HG1  ILE  11          2HG1      ILE  11 221.157  14.940  -4.562
   64   2HG1  ILE  11          1HG1      ILE  11 221.481  16.600  -4.054
   65   1HG2  ILE  11          2HG2      ILE  11 224.128  14.801  -6.951
   66   2HG2  ILE  11          3HG2      ILE  11 222.709  13.889  -6.391
   67   3HG2  ILE  11          1HG2      ILE  11 222.528  15.327  -7.418
   68   1HD1  ILE  11          2HD1      ILE  11 221.036  17.341  -6.449
   69   2HD1  ILE  11          3HD1      ILE  11 220.436  15.694  -6.759
   70   3HD1  ILE  11          1HD1      ILE  11 219.642  16.709  -5.554
   71    H    GLY  12           H        GLY  12 224.645  12.823  -4.581
   72   1HA   GLY  12          2HA       GLY  12 226.372  11.845  -5.830
   73   2HA   GLY  12          1HA       GLY  12 227.159  13.406  -6.037
   74    H    TYR  13           H        TYR  13 227.371  14.159  -3.329
   75    HA   TYR  13           HA       TYR  13 229.692  12.726  -2.429
   76   1HB   TYR  13          1HB       TYR  13 228.216  15.210  -1.807
   77   2HB   TYR  13          2HB       TYR  13 228.791  14.472  -0.358
   78    HD1  TYR  13           HD1      TYR  13 230.276  14.684  -3.846
   79    HD2  TYR  13           HD2      TYR  13 230.673  15.761   0.325
   80    HE1  TYR  13           HE1      TYR  13 232.462  15.750  -4.324
   81    HE2  TYR  13           HE2      TYR  13 232.926  16.718  -0.162
   82    HH   TYR  13           HH       TYR  13 234.162  16.998  -3.472
   83    H    SER  14           H        SER  14 228.502  10.950   0.523
   84    HA   SER  14           HA       SER  14 230.175  13.205   0.753
   85   1HB   SER  14          2HB       SER  14 231.485  11.903   2.285
   86   2HB   SER  14          1HB       SER  14 229.785  11.472   2.480
   87    HG   SER  14           HG       SER  14 230.437   9.713   0.831
   88    H    GLY  15           H        GLY  15 232.480  13.513   0.482
   89   1HA   GLY  15          1HA       GLY  15 234.076  12.020  -1.399
   90   2HA   GLY  15          2HA       GLY  15 233.289  13.400  -2.170
   91    HA   PRO  16           HA       PRO  16 237.456  14.432  -0.368
   92   1HB   PRO  16          1HB       PRO  16 238.680  15.570  -2.516
   93   2HB   PRO  16          2HB       PRO  16 238.386  13.823  -2.385
   94   1HG   PRO  16          2HG       PRO  16 236.634  15.870  -3.790
   95   2HG   PRO  16          1HG       PRO  16 237.327  14.378  -4.491
   96   1HD   PRO  16          1HD       PRO  16 234.811  14.393  -3.507
   97   2HD   PRO  16          2HD       PRO  16 235.873  12.994  -3.187
   98    H    THR  17           H        THR  17 236.152  15.840   1.053
   99    HA   THR  17           HA       THR  17 235.809  18.658   0.619
  100    HB   THR  17           HB       THR  17 235.559  18.792   3.056
  101    HG1  THR  17           HG1      THR  17 237.210  17.366   3.641
  102   1HG2  THR  17          2HG2      THR  17 233.685  17.875   1.726
  103   2HG2  THR  17          3HG2      THR  17 234.272  16.228   2.038
  104   3HG2  THR  17          1HG2      THR  17 233.733  17.243   3.386
  105    H    VAL  18           H        VAL  18 238.211  18.565  -0.474
  106    HA   VAL  18           HA       VAL  18 240.409  18.952   1.425
  107    HB   VAL  18           HB       VAL  18 240.434  19.373  -1.582
  108   1HG1  VAL  18          1HG2      VAL  18 242.654  18.719   0.425
  109   2HG1  VAL  18          2HG2      VAL  18 242.847  18.727  -1.335
  110   3HG1  VAL  18          3HG2      VAL  18 242.500  20.227  -0.500
  111   1HG2  VAL  18          1HG1      VAL  18 241.008  16.832   0.025
  112   2HG2  VAL  18          2HG1      VAL  18 239.640  17.072  -1.069
  113   3HG2  VAL  18          3HG1      VAL  18 241.271  17.041  -1.718
  114    H    CYS  19           H        CYS  19 238.784  20.700   2.332
  115    HA   CYS  19           HA       CYS  19 239.114  23.420   1.182
  116   1HB   CYS  19          1HB       CYS  19 236.863  22.519   1.429
  117   2HB   CYS  19          2HB       CYS  19 237.140  22.205   3.143
  118    H    ALA  20           H        ALA  20 239.516  25.263   2.530
  119    HA   ALA  20           HA       ALA  20 241.119  24.825   5.016
  120   1HB   ALA  20          2HB       ALA  20 242.178  26.122   3.214
  121   2HB   ALA  20          3HB       ALA  20 240.809  27.245   3.198
  122   3HB   ALA  20          1HB       ALA  20 241.853  27.142   4.628
  123    H    SER  21           H        SER  21 240.243  25.281   6.977
  124    HA   SER  21           HA       SER  21 237.623  26.455   7.343
  125   1HB   SER  21          1HB       SER  21 238.580  24.858   8.958
  126   2HB   SER  21          2HB       SER  21 239.849  26.029   9.373
  127    HG   SER  21           HG       SER  21 237.041  26.504   9.660
  128    H    GLY  22           H        GLY  22 237.091  28.503   7.247
  129   1HA   GLY  22          1HA       GLY  22 238.119  30.886   8.271
  130   2HA   GLY  22          2HA       GLY  22 238.981  30.653   6.735
  131    H    THR  23           H        THR  23 237.619  30.077   4.846
  132    HA   THR  23           HA       THR  23 234.781  30.796   4.647
  133    HB   THR  23           HB       THR  23 234.966  29.158   2.682
  134    HG1  THR  23           HG1      THR  23 236.988  28.141   3.592
  135   1HG2  THR  23          3HG2      THR  23 235.207  31.623   2.432
  136   2HG2  THR  23          1HG2      THR  23 236.956  31.463   2.660
  137   3HG2  THR  23          2HG2      THR  23 236.161  30.700   1.261
  138    H    THR  24           H        THR  24 233.039  29.178   4.797
  139    HA   THR  24           HA       THR  24 233.626  27.286   7.007
  140    HB   THR  24           HB       THR  24 231.354  27.314   7.585
  141    HG1  THR  24           HG1      THR  24 230.877  28.918   5.313
  142   1HG2  THR  24          3HG2      THR  24 232.683  29.253   8.325
  143   2HG2  THR  24          1HG2      THR  24 232.222  30.156   6.867
  144   3HG2  THR  24          2HG2      THR  24 230.986  29.690   8.047
  145    H    CYS  25           H        CYS  25 230.887  26.542   5.098
  146    HA   CYS  25           HA       CYS  25 231.449  24.347   3.567
  147   1HB   CYS  25          1HB       CYS  25 232.172  23.648   6.314
  148   2HB   CYS  25          2HB       CYS  25 230.912  22.599   5.766
  149    H    GLN  26           H        GLN  26 229.128  26.186   4.836
  150    HA   GLN  26           HA       GLN  26 227.172  24.175   5.622
  151   1HB   GLN  26          1HB       GLN  26 226.046  26.016   6.676
  152   2HB   GLN  26          2HB       GLN  26 227.782  26.147   6.952
  153   1HG   GLN  26          1HG       GLN  26 227.848  27.775   4.944
  154   2HG   GLN  26          2HG       GLN  26 226.081  27.779   5.002
  155   1HE2  GLN  26          2HE2      GLN  26 227.465  30.653   6.942
  156   2HE2  GLN  26          1HE2      GLN  26 227.687  30.101   5.282
  157    H    VAL  27           H        VAL  27 224.827  24.680   5.338
  158    HA   VAL  27           HA       VAL  27 223.972  23.768   2.908
  159    HB   VAL  27           HB       VAL  27 221.667  24.300   3.691
  160   1HG1  VAL  27          3HG2      VAL  27 222.811  22.220   4.323
  161   2HG1  VAL  27          1HG2      VAL  27 223.481  23.005   5.768
  162   3HG1  VAL  27          2HG2      VAL  27 221.728  22.788   5.600
  163   1HG2  VAL  27          1HG1      VAL  27 223.053  25.579   6.099
  164   2HG2  VAL  27          2HG1      VAL  27 221.999  26.401   4.942
  165   3HG2  VAL  27          3HG1      VAL  27 221.341  25.150   5.990
  166    H    LEU  28           H        LEU  28 223.735  24.546   0.926
  167    HA   LEU  28           HA       LEU  28 221.697  26.414   0.550
  168   1HB   LEU  28          2HB       LEU  28 222.506  28.207  -0.668
  169   2HB   LEU  28          1HB       LEU  28 223.406  28.190   0.828
  170    HG   LEU  28           HG       LEU  28 224.447  27.256  -1.880
  171   1HD1  LEU  28          2HD1      LEU  28 223.976  29.659  -1.791
  172   2HD1  LEU  28          3HD1      LEU  28 225.010  29.807  -0.353
  173   3HD1  LEU  28          1HD1      LEU  28 225.700  29.308  -1.922
  174   1HD2  LEU  28          2HD2      LEU  28 225.909  27.648   0.770
  175   2HD2  LEU  28          3HD2      LEU  28 225.650  26.094  -0.044
  176   3HD2  LEU  28          1HD2      LEU  28 226.673  27.316  -0.799
  177    H    ASN  29           H        ASN  29 224.349  24.924  -1.492
  178    HA   ASN  29           HA       ASN  29 222.489  24.976  -3.767
  179   1HB   ASN  29          1HB       ASN  29 225.221  23.725  -3.792
  180   2HB   ASN  29          2HB       ASN  29 224.283  24.337  -5.146
  181   1HD2  ASN  29          2HD2      ASN  29 225.235  27.759  -4.363
  182   2HD2  ASN  29          1HD2      ASN  29 223.754  26.929  -4.846
  183    HA   PRO  30           HA       PRO  30 220.716  20.779  -3.432
  184   1HB   PRO  30          2HB       PRO  30 221.410  20.902  -6.394
  185   2HB   PRO  30          1HB       PRO  30 219.970  20.168  -5.639
  186   1HG   PRO  30          1HG       PRO  30 219.820  22.665  -6.658
  187   2HG   PRO  30          2HG       PRO  30 219.105  22.345  -5.060
  188   1HD   PRO  30          1HD       PRO  30 221.703  23.736  -5.701
  189   2HD   PRO  30          2HD       PRO  30 220.517  24.059  -4.401
  190    H    TYR  31           H        TYR  31 223.606  20.893  -5.618
  191    HA   TYR  31           HA       TYR  31 224.639  18.328  -4.715
  192   1HB   TYR  31          2HB       TYR  31 226.157  20.571  -6.091
  193   2HB   TYR  31          1HB       TYR  31 226.633  18.890  -5.939
  194    HD1  TYR  31           HD2      TYR  31 225.408  17.082  -7.181
  195    HD2  TYR  31           HD1      TYR  31 224.529  21.270  -7.793
  196    HE1  TYR  31           HE2      TYR  31 223.931  16.503  -9.105
  197    HE2  TYR  31           HE1      TYR  31 222.987  20.662  -9.660
  198    HH   TYR  31           HH       TYR  31 222.495  17.286 -10.661
  199    H    ALA  32           H        ALA  32 225.225  21.663  -3.684
  200    HA   ALA  32           HA       ALA  32 227.190  20.709  -1.627
  201   1HB   ALA  32          2HB       ALA  32 228.221  21.765  -3.640
  202   2HB   ALA  32          3HB       ALA  32 227.417  23.282  -3.208
  203   3HB   ALA  32          1HB       ALA  32 228.589  22.550  -2.106
  204    H    SER  33           H        SER  33 225.894  20.728   0.147
  205    HA   SER  33           HA       SER  33 225.803  23.334   1.520
  206   1HB   SER  33          1HB       SER  33 225.073  21.227   2.650
  207   2HB   SER  33          2HB       SER  33 226.727  20.592   2.533
  208    HG   SER  33           HG       SER  33 227.396  22.376   3.868
  209    H    GLN  34           H        GLN  34 227.588  24.669   1.455
  210    HA   GLN  34           HA       GLN  34 230.038  23.589   0.110
  211   1HB   GLN  34          2HB       GLN  34 228.168  24.721  -1.306
  212   2HB   GLN  34          1HB       GLN  34 228.687  26.218  -0.542
  213   1HG   GLN  34          1HG       GLN  34 231.012  25.831  -1.438
  214   2HG   GLN  34          2HG       GLN  34 230.449  24.322  -2.169
  215   1HE2  GLN  34          2HE2      GLN  34 229.962  26.269  -5.075
  216   2HE2  GLN  34          1HE2      GLN  34 230.761  24.850  -4.394
  217    H    CYS  35           H        CYS  35 232.029  24.547   0.455
  218    HA   CYS  35           HA       CYS  35 232.510  26.350   2.694
  219   1HB   CYS  35          2HB       CYS  35 234.344  25.567   0.399
  220   2HB   CYS  35          1HB       CYS  35 234.770  26.553   1.790
  221    H    LEU  36           H        LEU  36 230.859  27.930   2.234
  222    HA   LEU  36           HA       LEU  36 232.158  30.271   0.884
  223   1HB   LEU  36          1HB       LEU  36 229.435  30.313   2.194
  224   2HB   LEU  36          2HB       LEU  36 230.186  31.520   1.159
  225    HG   LEU  36           HG       LEU  36 229.069  28.797   0.361
  226   1HD1  LEU  36          3HD2      LEU  36 227.413  30.626   0.682
  227   2HD1  LEU  36          1HD2      LEU  36 228.326  31.649  -0.450
  228   3HD1  LEU  36          2HD2      LEU  36 227.553  30.167  -1.025
  229   1HD2  LEU  36          1HD1      LEU  36 230.515  30.812  -1.411
  230   2HD2  LEU  36          2HD1      LEU  36 231.071  29.163  -1.043
  231   3HD2  LEU  36          3HD1      LEU  36 229.607  29.414  -1.993
   
  No H/Q in entry =         231
  Start of MODEL   19
    1   1H    THR   1          3H        THR   1 244.182  24.340  -2.545
    2   2H    THR   1          1H        THR   1 244.577  25.272  -1.249
    3   3H    THR   1          2H        THR   1 245.227  23.765  -1.379
    4    HA   THR   1           HA       THR   1 243.127  22.777  -0.852
    5    HB   THR   1           HB       THR   1 242.557  24.041   1.338
    6    HG1  THR   1           HG1      THR   1 243.901  25.824   1.752
    7   1HG2  THR   1          2HG2      THR   1 244.387  22.314   1.309
    8   2HG2  THR   1          3HG2      THR   1 245.558  23.576   0.885
    9   3HG2  THR   1          1HG2      THR   1 244.699  23.632   2.432
   10    H    GLN   2           H        GLN   2 240.792  22.989  -0.419
   11    HA   GLN   2           HA       GLN   2 239.296  24.829  -2.093
   12   1HB   GLN   2          2HB       GLN   2 238.641  22.690  -0.055
   13   2HB   GLN   2          1HB       GLN   2 237.401  23.785  -0.624
   14   1HG   GLN   2          2HG       GLN   2 237.778  23.084  -2.939
   15   2HG   GLN   2          1HG       GLN   2 239.107  22.029  -2.434
   16   1HE2  GLN   2          2HE2      GLN   2 235.842  20.114  -2.687
   17   2HE2  GLN   2          1HE2      GLN   2 236.438  21.369  -3.778
   18    H    SER   3           H        SER   3 240.421  26.743  -1.277
   19    HA   SER   3           HA       SER   3 239.164  28.041   1.093
   20   1HB   SER   3          1HB       SER   3 241.493  28.625   0.392
   21   2HB   SER   3          2HB       SER   3 240.862  29.212  -1.158
   22    HG   SER   3           HG       SER   3 240.064  30.217   1.405
   23    H    HIS   4           H        HIS   4 238.774  30.500  -0.584
   24    HA   HIS   4           HA       HIS   4 236.089  30.589  -0.808
   25   1HB   HIS   4          1HB       HIS   4 237.846  32.431  -1.070
   26   2HB   HIS   4          2HB       HIS   4 237.876  32.042  -2.789
   27    HD2  HIS   4           HD2      HIS   4 235.030  32.926  -0.137
   28    HE1  HIS   4           HE1      HIS   4 234.330  35.042  -3.745
   29    HE2  HIS   4           HE2      HIS   4 233.472  34.648  -1.372
   30    H    TYR   5           H        TYR   5 234.862  29.116  -1.678
   31    HA   TYR   5           HA       TYR   5 233.522  28.115  -3.178
   32   1HB   TYR   5          2HB       TYR   5 235.471  28.574  -5.430
   33   2HB   TYR   5          1HB       TYR   5 233.856  27.917  -5.547
   34    HD1  TYR   5           HD2      TYR   5 231.935  29.459  -4.359
   35    HD2  TYR   5           HD1      TYR   5 235.687  30.886  -5.965
   36    HE1  TYR   5           HE2      TYR   5 231.020  31.768  -4.468
   37    HE2  TYR   5           HE1      TYR   5 234.735  33.183  -6.112
   38    HH   TYR   5           HH       TYR   5 231.441  33.913  -4.973
   39    H    GLY   6           H        GLY   6 233.862  26.386  -1.808
   40   1HA   GLY   6          2HA       GLY   6 235.355  24.046  -3.009
   41   2HA   GLY   6          1HA       GLY   6 235.504  24.464  -1.309
   42    H    GLN   7           H        GLN   7 233.847  22.415  -3.393
   43    HA   GLN   7           HA       GLN   7 231.273  22.304  -2.100
   44   1HB   GLN   7          1HB       GLN   7 231.867  21.486  -4.403
   45   2HB   GLN   7          2HB       GLN   7 232.688  20.109  -3.658
   46   1HG   GLN   7          2HG       GLN   7 230.538  19.424  -2.580
   47   2HG   GLN   7          1HG       GLN   7 229.734  20.843  -3.266
   48   1HE2  GLN   7          2HE2      GLN   7 228.719  18.157  -5.465
   49   2HE2  GLN   7          1HE2      GLN   7 228.308  18.903  -3.919
   50    H    CYS   8           H        CYS   8 230.817  21.583  -0.047
   51    HA   CYS   8           HA       CYS   8 232.703  19.755   1.370
   52   1HB   CYS   8          1HB       CYS   8 230.471  21.388   2.569
   53   2HB   CYS   8          2HB       CYS   8 231.756  20.518   3.396
   54    H    GLY   9           H        GLY   9 229.156  20.141   0.987
   55   1HA   GLY   9          1HA       GLY   9 228.756  17.194   1.087
   56   2HA   GLY   9          2HA       GLY   9 228.059  18.128   2.408
   57    H    GLY  10           H        GLY  10 227.083  16.552  -0.140
   58   1HA   GLY  10          2HA       GLY  10 224.533  17.273  -0.546
   59   2HA   GLY  10          1HA       GLY  10 225.337  18.496  -1.516
   60    H    ILE  11           H        ILE  11 224.247  17.525  -3.409
   61    HA   ILE  11           HA       ILE  11 224.236  14.958  -4.358
   62    HB   ILE  11           HB       ILE  11 224.552  17.515  -5.933
   63   1HG1  ILE  11          1HG1      ILE  11 222.206  15.603  -5.533
   64   2HG1  ILE  11          2HG1      ILE  11 222.440  17.115  -4.656
   65   1HG2  ILE  11          3HG2      ILE  11 224.149  14.712  -7.060
   66   2HG2  ILE  11          1HG2      ILE  11 223.921  16.214  -7.976
   67   3HG2  ILE  11          2HG2      ILE  11 225.509  15.808  -7.388
   68   1HD1  ILE  11          3HD1      ILE  11 222.351  18.355  -6.854
   69   2HD1  ILE  11          1HD1      ILE  11 221.881  16.833  -7.641
   70   3HD1  ILE  11          2HD1      ILE  11 220.847  17.528  -6.399
   71    H    GLY  12           H        GLY  12 225.722  13.458  -4.386
   72   1HA   GLY  12          1HA       GLY  12 227.530  12.268  -5.240
   73   2HA   GLY  12          2HA       GLY  12 228.220  13.732  -5.928
   74    H    TYR  13           H        TYR  13 228.138  15.124  -3.168
   75    HA   TYR  13           HA       TYR  13 230.946  14.459  -3.007
   76   1HB   TYR  13          1HB       TYR  13 229.764  16.782  -3.123
   77   2HB   TYR  13          2HB       TYR  13 229.762  16.682  -1.378
   78    HD1  TYR  13           HD1      TYR  13 231.829  16.870  -4.460
   79    HD2  TYR  13           HD2      TYR  13 232.026  16.615  -0.153
   80    HE1  TYR  13           HE1      TYR  13 234.183  17.688  -4.497
   81    HE2  TYR  13           HE2      TYR  13 234.385  17.360  -0.223
   82    HH   TYR  13           HH       TYR  13 236.008  18.368  -1.517
   83    H    SER  14           H        SER  14 230.057  12.287  -1.967
   84    HA   SER  14           HA       SER  14 231.113  12.271   0.848
   85   1HB   SER  14          1HB       SER  14 229.595  10.466   0.287
   86   2HB   SER  14          2HB       SER  14 230.578  10.008  -1.116
   87    HG   SER  14           HG       SER  14 231.529  10.035   1.577
   88    H    GLY  15           H        GLY  15 232.756  13.816   0.095
   89   1HA   GLY  15          1HA       GLY  15 234.882  12.709  -1.729
   90   2HA   GLY  15          2HA       GLY  15 233.977  14.191  -2.051
   91    HA   PRO  16           HA       PRO  16 238.176  14.778  -0.091
   92   1HB   PRO  16          1HB       PRO  16 239.460  16.162  -2.046
   93   2HB   PRO  16          2HB       PRO  16 239.101  14.426  -2.197
   94   1HG   PRO  16          1HG       PRO  16 237.438  16.722  -3.282
   95   2HG   PRO  16          2HG       PRO  16 238.086  15.341  -4.203
   96   1HD   PRO  16          2HD       PRO  16 235.571  15.276  -3.238
   97   2HD   PRO  16          1HD       PRO  16 236.592  13.813  -3.144
   98    H    THR  17           H        THR  17 236.808  16.039   1.477
   99    HA   THR  17           HA       THR  17 236.434  18.889   1.233
  100    HB   THR  17           HB       THR  17 236.040  18.768   3.711
  101    HG1  THR  17           HG1      THR  17 236.002  16.600   4.554
  102   1HG2  THR  17          2HG2      THR  17 234.239  18.266   2.031
  103   2HG2  THR  17          3HG2      THR  17 234.591  16.540   2.228
  104   3HG2  THR  17          1HG2      THR  17 234.016  17.496   3.609
  105    H    VAL  18           H        VAL  18 238.928  18.815   0.370
  106    HA   VAL  18           HA       VAL  18 240.927  19.257   2.490
  107    HB   VAL  18           HB       VAL  18 241.246  19.713  -0.498
  108   1HG1  VAL  18          1HG2      VAL  18 243.269  19.036   1.699
  109   2HG1  VAL  18          2HG2      VAL  18 243.630  19.140  -0.034
  110   3HG1  VAL  18          3HG2      VAL  18 243.137  20.582   0.844
  111   1HG2  VAL  18          1HG1      VAL  18 241.621  17.126   1.076
  112   2HG2  VAL  18          2HG1      VAL  18 240.465  17.409  -0.239
  113   3HG2  VAL  18          3HG1      VAL  18 242.189  17.398  -0.583
  114    H    CYS  19           H        CYS  19 239.126  20.954   3.194
  115    HA   CYS  19           HA       CYS  19 239.084  23.514   1.829
  116   1HB   CYS  19          1HB       CYS  19 237.072  22.331   2.623
  117   2HB   CYS  19          2HB       CYS  19 237.635  22.503   4.279
  118    H    ALA  20           H        ALA  20 239.037  25.631   3.038
  119    HA   ALA  20           HA       ALA  20 241.497  25.838   4.769
  120   1HB   ALA  20          2HB       ALA  20 241.573  26.789   2.447
  121   2HB   ALA  20          3HB       ALA  20 240.338  27.953   2.957
  122   3HB   ALA  20          1HB       ALA  20 241.913  27.936   3.758
  123    H    SER  21           H        SER  21 240.294  25.492   6.749
  124    HA   SER  21           HA       SER  21 238.195  26.867   7.860
  125   1HB   SER  21          1HB       SER  21 239.489  25.085   8.994
  126   2HB   SER  21          2HB       SER  21 240.782  26.261   9.328
  127    HG   SER  21           HG       SER  21 239.306  26.152  11.103
  128    H    GLY  22           H        GLY  22 237.715  28.934   7.808
  129   1HA   GLY  22          1HA       GLY  22 238.575  31.335   8.712
  130   2HA   GLY  22          2HA       GLY  22 239.777  31.032   7.449
  131    H    THR  23           H        THR  23 238.552  29.862   5.521
  132    HA   THR  23           HA       THR  23 235.915  31.058   4.773
  133    HB   THR  23           HB       THR  23 236.012  29.717   2.755
  134    HG1  THR  23           HG1      THR  23 238.221  28.572   4.020
  135   1HG2  THR  23          2HG2      THR  23 237.258  31.911   2.773
  136   2HG2  THR  23          3HG2      THR  23 238.757  31.012   3.097
  137   3HG2  THR  23          1HG2      THR  23 237.847  30.732   1.597
  138    H    THR  24           H        THR  24 234.195  29.416   4.443
  139    HA   THR  24           HA       THR  24 234.180  27.613   6.833
  140    HB   THR  24           HB       THR  24 231.953  28.259   7.197
  141    HG1  THR  24           HG1      THR  24 232.089  29.748   4.777
  142   1HG2  THR  24          2HG2      THR  24 233.717  29.928   7.849
  143   2HG2  THR  24          3HG2      THR  24 233.422  30.786   6.324
  144   3HG2  THR  24          1HG2      THR  24 232.129  30.653   7.522
  145    H    CYS  25           H        CYS  25 231.364  27.221   5.324
  146    HA   CYS  25           HA       CYS  25 231.607  25.152   3.454
  147   1HB   CYS  25          1HB       CYS  25 231.797  24.130   6.266
  148   2HB   CYS  25          2HB       CYS  25 230.760  23.234   5.184
  149    H    GLN  26           H        GLN  26 229.932  27.401   3.872
  150    HA   GLN  26           HA       GLN  26 227.646  26.837   5.417
  151   1HB   GLN  26          1HB       GLN  26 228.742  29.093   4.745
  152   2HB   GLN  26          2HB       GLN  26 227.824  28.967   3.248
  153   1HG   GLN  26          2HG       GLN  26 226.656  30.381   4.907
  154   2HG   GLN  26          1HG       GLN  26 225.707  28.934   4.570
  155   1HE2  GLN  26          2HE2      GLN  26 227.350  29.381   8.291
  156   2HE2  GLN  26          1HE2      GLN  26 228.018  30.351   6.974
  157    H    VAL  27           H        VAL  27 225.494  26.347   4.971
  158    HA   VAL  27           HA       VAL  27 224.887  24.619   2.749
  159    HB   VAL  27           HB       VAL  27 222.517  24.781   3.660
  160   1HG1  VAL  27          3HG2      VAL  27 224.086  22.923   4.087
  161   2HG1  VAL  27          1HG2      VAL  27 224.743  23.796   5.482
  162   3HG1  VAL  27          2HG2      VAL  27 223.048  23.252   5.485
  163   1HG2  VAL  27          3HG1      VAL  27 222.854  26.965   4.975
  164   2HG2  VAL  27          1HG1      VAL  27 222.161  25.606   5.876
  165   3HG2  VAL  27          2HG1      VAL  27 223.857  26.032   6.100
  166    H    LEU  28           H        LEU  28 225.163  25.584   0.750
  167    HA   LEU  28           HA       LEU  28 223.517  27.974   0.067
  168   1HB   LEU  28          1HB       LEU  28 225.651  26.525  -1.548
  169   2HB   LEU  28          2HB       LEU  28 224.829  28.025  -1.985
  170    HG   LEU  28           HG       LEU  28 226.811  27.598   0.270
  171   1HD1  LEU  28          3HD2      LEU  28 227.604  27.923  -2.118
  172   2HD1  LEU  28          1HD2      LEU  28 226.830  29.519  -2.094
  173   3HD1  LEU  28          2HD2      LEU  28 228.163  29.150  -0.978
  174   1HD2  LEU  28          1HD1      LEU  28 225.100  30.060  -0.310
  175   2HD2  LEU  28          2HD1      LEU  28 225.096  29.099   1.185
  176   3HD2  LEU  28          3HD1      LEU  28 226.518  30.048   0.759
  177    H    ASN  29           H        ASN  29 223.865  24.608  -1.127
  178    HA   ASN  29           HA       ASN  29 221.255  24.729  -2.488
  179   1HB   ASN  29          1HB       ASN  29 222.145  24.816  -4.781
  180   2HB   ASN  29          2HB       ASN  29 222.768  26.171  -3.903
  181   1HD2  ASN  29          2HD2      ASN  29 226.107  25.111  -4.472
  182   2HD2  ASN  29          1HD2      ASN  29 225.051  26.403  -3.892
  183    HA   PRO  30           HA       PRO  30 221.197  20.366  -2.630
  184   1HB   PRO  30          2HB       PRO  30 221.261  20.255  -5.649
  185   2HB   PRO  30          1HB       PRO  30 220.152  19.425  -4.523
  186   1HG   PRO  30          1HG       PRO  30 219.333  21.651  -5.823
  187   2HG   PRO  30          2HG       PRO  30 218.985  21.503  -4.075
  188   1HD   PRO  30          2HD       PRO  30 221.265  22.955  -5.420
  189   2HD   PRO  30          1HD       PRO  30 220.146  23.580  -4.158
  190    H    TYR  31           H        TYR  31 223.674  21.533  -4.958
  191    HA   TYR  31           HA       TYR  31 225.384  19.169  -4.759
  192   1HB   TYR  31          2HB       TYR  31 226.106  21.991  -5.635
  193   2HB   TYR  31          1HB       TYR  31 227.066  20.551  -5.843
  194    HD1  TYR  31           HD2      TYR  31 226.288  18.674  -7.345
  195    HD2  TYR  31           HD1      TYR  31 224.357  22.543  -7.240
  196    HE1  TYR  31           HE2      TYR  31 225.096  18.151  -9.475
  197    HE2  TYR  31           HE1      TYR  31 223.176  22.001  -9.365
  198    HH   TYR  31           HH       TYR  31 222.925  20.508 -11.022
  199    H    ALA  32           H        ALA  32 225.151  22.260  -3.018
  200    HA   ALA  32           HA       ALA  32 227.382  21.369  -1.242
  201   1HB   ALA  32          2HB       ALA  32 228.194  22.618  -3.267
  202   2HB   ALA  32          3HB       ALA  32 227.395  24.062  -2.607
  203   3HB   ALA  32          1HB       ALA  32 228.656  23.217  -1.676
  204    H    SER  33           H        SER  33 226.476  21.341   0.696
  205    HA   SER  33           HA       SER  33 226.786  23.886   2.089
  206   1HB   SER  33          1HB       SER  33 226.775  21.127   2.890
  207   2HB   SER  33          2HB       SER  33 228.380  21.745   3.236
  208    HG   SER  33           HG       SER  33 227.424  23.448   4.384
  209    H    GLN  34           H        GLN  34 228.557  25.194   1.843
  210    HA   GLN  34           HA       GLN  34 230.733  24.340  -0.014
  211   1HB   GLN  34          2HB       GLN  34 228.349  25.497  -0.728
  212   2HB   GLN  34          1HB       GLN  34 229.301  26.938  -0.487
  213   1HG   GLN  34          2HG       GLN  34 230.087  24.593  -2.322
  214   2HG   GLN  34          1HG       GLN  34 229.127  25.992  -2.824
  215   1HE2  GLN  34          2HE2      GLN  34 232.342  26.762  -4.101
  216   2HE2  GLN  34          1HE2      GLN  34 230.894  25.841  -4.481
  217    H    CYS  35           H        CYS  35 232.765  25.139   0.428
  218    HA   CYS  35           HA       CYS  35 233.386  26.958   2.551
  219   1HB   CYS  35          2HB       CYS  35 235.245  26.185   0.288
  220   2HB   CYS  35          1HB       CYS  35 235.661  26.794   1.881
  221    H    LEU  36           H        LEU  36 231.930  28.716   1.971
  222    HA   LEU  36           HA       LEU  36 233.382  30.850   0.430
  223   1HB   LEU  36          1HB       LEU  36 230.910  31.194   2.142
  224   2HB   LEU  36          2HB       LEU  36 231.656  32.354   1.039
  225    HG   LEU  36           HG       LEU  36 230.229  29.784   0.246
  226   1HD1  LEU  36          1HD2      LEU  36 229.455  32.729  -0.019
  227   2HD1  LEU  36          2HD2      LEU  36 228.556  31.390  -0.741
  228   3HD1  LEU  36          3HD2      LEU  36 228.687  31.513   1.019
  229   1HD2  LEU  36          2HD1      LEU  36 232.061  30.303  -1.359
  230   2HD2  LEU  36          3HD1      LEU  36 230.467  30.527  -2.080
  231   3HD2  LEU  36          1HD1      LEU  36 231.413  31.943  -1.571
   
  No H/Q in entry =         231