*HEADER    LIPID TRANSPORT, ENDOCYTOSIS/EXOCYTOSIS 14-SEP-04   1XFE              
*TITLE     SOLUTION STRUCTURE OF THE LA7-EGFA PAIR FROM THE LDL                  
*TITLE    2 RECEPTOR                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 272-353: INCLUDES LDL-          
*COMPND   5 RECEPTOR CLASS A 7 (RESIDUES 274-313), EGF-LIKE 1 (314-              
*COMPND   6 353);                                                                
*COMPND   7 SYNONYM: LDL RECEPTOR, LA7-EGFA PAIR;                                
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: LDLR;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PDEST17;                                   
*SOURCE  10 OTHER_DETAILS: GATEWAY EXPRESSION SYSTEM (INVITROGEN)                
*KEYWDS    LIGAND-BINDING REPEAT, EGF-LIKE REPEAT                                
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    N.BEGLOVA, H.JEON, C.FISHER, S.C.BLACKLOW                             
*REVDAT   1   02-NOV-04 1XFE    0                                               
assign (resid 2 and name HA ) (resid 1 and name HN ) 4.0 2.2 2.5  !9.769e+04
assign (resid 3 and name HA ) (resid 4 and name HN ) 3.2 1.4 0.8  !2.072e+05
assign (resid 3 and name HA ) (resid 5 and name HN ) 4.0 2.2 2.5  !2.350e+04
assign (resid 3 and name HB ) (resid 3 and name HN ) 4.0 2.2 2.5  !6.192e+04
assign (resid 3 and name HB ) (resid 4 and name HN ) 4.0 2.2 2.5  !5.982e+03
assign (resid 4 and name HA ) (resid 5 and name HN ) 3.2 1.4 0.8  !1.768e+05
assign (resid 4 and name HB ) (resid 4 and name HN ) 4.0 2.2 2.5  !1.033e+05
assign (resid 4 and name HB ) (resid 5 and name HN ) 4.0 2.2 2.5  !4.214e+04
assign (resid 5 and name HA ) (resid 5 and name HG ) 4.0 2.2 2.5  !6.790e+03
assign (resid 5 and name HB1 ) (resid 5 and name HN ) 4.0 2.2 2.5  !9.994e+04
assign (resid 5 and name HB2 ) (resid 5 and name HN ) 4.0 2.2 2.5  !8.284e+04
assign (resid 5 and name HG ) (resid 5 and name HN ) 4.0 2.2 2.5  !1.377e+05
assign (resid 6 and name HA ) (resid 7 and name HN ) 3.2 1.4 0.8  !2.304e+05
assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.0 2.2 2.5  !2.729e+04
assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 2.5  !2.941e+04
assign (resid 7 and name HA ) (resid 8 and name HN ) 2.6 0.8 0.4  !6.455e+05
assign (resid 7 and name HB1 ) (resid 7 and name HN ) 4.0 2.2 2.5  !6.080e+04
assign (resid 7 and name HB1 ) (resid 8 and name HN ) 4.0 2.2 2.5  !1.417e+05
assign (resid 7 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 2.5  !9.582e+04
assign (resid 7 and name HB2 ) (resid 8 and name HN ) 4.0 2.2 2.5  !1.212e+05
assign (resid 7 and name HN ) (resid 8 and name HN ) 4.0 2.2 2.5  !1.864e+04
assign (resid 8 and name HA1 ) (resid 9 and name HD1 ) 3.2 1.4 0.8  !1.875e+04
assign (resid 8 and name HA1 ) (resid 9 and name HD2 ) 3.2 1.4 0.8  !2.069e+04
assign (resid 8 and name HA2 ) (resid 9 and name HD1 ) 4.0 2.2 2.5  !1.666e+04
assign (resid 8 and name HA2 ) (resid 9 and name HD2 ) 3.2 1.4 0.8  !2.073e+04
assign (resid 8 and name HN ) (resid 7 and name HN ) 4.0 2.2 2.5  !5.542e+03
assign (resid 9 and name HA ) (resid 10 and name HN ) 3.2 1.4 0.8  !2.807e+05
assign (resid 9 and name HA ) (resid 11 and name HN ) 4.0 2.2 2.5  !5.865e+04
assign (resid 9 and name HA ) (resid 9 and name HG1 ) 3.2 1.4 0.8  !1.800e+04
assign (resid 9 and name HA ) (resid 9 and name HG2 ) 3.2 1.4 0.8  !2.321e+04
assign (resid 9 and name HB1 ) (resid 10 and name HN ) 4.0 2.2 2.5  !6.033e+04
assign (resid 9 and name HB2 ) (resid 10 and name HN ) 4.0 2.2 2.5  !6.002e+04
assign (resid 9 and name HD1 ) (resid 10 and name HN ) 4.0 2.2 2.5  !2.481e+04
assign (resid 9 and name HD1 ) (resid 8 and name HN ) 4.0 2.2 2.5  !5.331e+04
assign (resid 9 and name HD1 ) (resid 9 and name HB1 ) 4.0 2.2 2.5  !1.186e+04
assign (resid 9 and name HD1 ) (resid 9 and name HB2 ) 4.0 2.2 2.5  !7.011e+03
assign (resid 9 and name HD2 ) (resid 10 and name HN ) 4.0 2.2 2.5  !2.267e+04
assign (resid 9 and name HD2 ) (resid 8 and name HN ) 4.0 2.2 2.5  !5.547e+04
assign (resid 9 and name HD2 ) (resid 9 and name HB1 ) 4.0 2.2 2.5  !9.153e+03
assign (resid 9 and name HD2 ) (resid 9 and name HB2 ) 4.0 2.2 2.5  !1.034e+04
assign (resid 9 and name HG1 ) (resid 10 and name HN ) 4.0 2.2 2.5  !2.304e+04
assign (resid 9 and name HG2 ) (resid 10 and name HN ) 4.0 2.2 2.5  !3.050e+04
assign (resid 10 and name HA ) (resid 22 and name HB1 ) 3.2 1.4 0.8  !1.729e+04
assign (resid 10 and name HA ) (resid 22 and name HB2 ) 4.0 2.2 2.5  !1.560e+04
assign (resid 10 and name HB1 ) (resid 10 and name HD21 ) 4.0 2.2 2.5  !1.460e+05
assign (resid 10 and name HB1 ) (resid 10 and name HD22 ) 4.0 2.2 2.5  !6.710e+04
assign (resid 10 and name HB1 ) (resid 10 and name HN ) 4.0 2.2 2.5  !8.641e+04
assign (resid 10 and name HB1 ) (resid 11 and name HN ) 4.0 2.2 2.5  !2.316e+04
assign (resid 10 and name HB1 ) (resid 22 and name HN ) 4.0 2.2 2.5  !2.661e+04
assign (resid 10 and name HB2 ) (resid 10 and name HD21 ) 4.0 2.2 2.5  !1.410e+05
assign (resid 10 and name HB2 ) (resid 10 and name HD22 ) 4.0 2.2 2.5  !8.518e+04
assign (resid 10 and name HB2 ) (resid 10 and name HN ) 4.0 2.2 2.5  !8.971e+04
assign (resid 10 and name HB2 ) (resid 11 and name HN ) 4.0 2.2 2.5  !1.753e+04
assign (resid 10 and name HB2 ) (resid 22 and name HN ) 4.0 2.2 2.5  !1.646e+04
assign (resid 10 and name HN ) (resid 11 and name HN ) 4.0 2.2 2.5  !1.031e+05
assign (resid 11 and name HA ) (resid 11 and name HG1 ) 4.0 2.2 2.5  !1.125e+04
assign (resid 11 and name HA ) (resid 11 and name HG2 ) 4.0 2.2 2.5  !1.076e+04
assign (resid 11 and name HA ) (resid 12 and name HN ) 2.6 0.8 0.4  !4.217e+05
assign (resid 11 and name HA ) (resid 20 and name HN ) 4.0 2.2 2.5  !6.161e+04
assign (resid 11 and name HA ) (resid 22 and name HN ) 4.0 2.2 2.5  !1.152e+05
assign (resid 11 and name HB1 ) (resid 10 and name HN ) 4.0 2.2 2.5  !1.591e+04
assign (resid 11 and name HB1 ) (resid 11 and name HN ) 4.0 2.2 2.5  !1.399e+05
assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.636e+05
assign (resid 11 and name HB1 ) (resid 7 and name HN ) 4.0 2.2 2.5  !2.523e+04
assign (resid 11 and name HB1 ) (resid 8 and name HN ) 4.0 2.2 2.5  !2.149e+04
assign (resid 11 and name HB2 ) (resid 10 and name HN ) 4.0 2.2 2.5  !1.828e+04
assign (resid 11 and name HB2 ) (resid 11 and name HN ) 3.2 1.4 0.8  !2.172e+05
assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.2 1.4 0.8  !1.821e+05
assign (resid 11 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 2.5  !2.060e+04
assign (resid 11 and name HB2 ) (resid 8 and name HN ) 4.0 2.2 2.5  !3.184e+04
assign (resid 11 and name HG1 ) (resid 10 and name HN ) 4.0 2.2 2.5  !8.296e+03
assign (resid 11 and name HG1 ) (resid 11 and name HN ) 4.0 2.2 2.5  !8.585e+04
assign (resid 11 and name HG1 ) (resid 12 and name HN ) 4.0 2.2 2.5  !8.416e+04
assign (resid 11 and name HG1 ) (resid 7 and name HN ) 4.0 2.2 2.5  !1.982e+04
assign (resid 11 and name HG1 ) (resid 8 and name HN ) 4.0 2.2 2.5  !1.955e+04
assign (resid 11 and name HG2 ) (resid 10 and name HN ) 4.0 2.2 2.5  !1.150e+04
assign (resid 11 and name HG2 ) (resid 11 and name HN ) 4.0 2.2 2.5  !1.136e+05
assign (resid 11 and name HG2 ) (resid 12 and name HN ) 4.0 2.2 2.5  !5.404e+04
assign (resid 11 and name HG2 ) (resid 7 and name HN ) 4.0 2.2 2.5  !1.884e+04
assign (resid 11 and name HG2 ) (resid 8 and name HN ) 4.0 2.2 2.5  !1.359e+04
assign (resid 11 and name HN ) (resid 10 and name HN ) 4.0 2.2 2.5  !1.568e+05
assign (resid 11 and name HN ) (resid 12 and name HN ) 4.0 2.2 2.5  !5.105e+04
assign (resid 12 and name HA ) (resid 13 and name HN ) 2.6 0.8 0.4  !7.388e+05
assign (resid 12 and name HA ) (resid 14 and name HN ) 4.0 2.2 2.5  !6.922e+04
assign (resid 12 and name HB1 ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.096e+05
assign (resid 12 and name HB1 ) (resid 13 and name HN ) 4.0 2.2 2.5  !6.839e+04
assign (resid 12 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 2.5  !5.021e+04
assign (resid 12 and name HB1 ) (resid 21 and name HN ) 4.0 2.2 2.5  !8.249e+03
assign (resid 12 and name HB2 ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.338e+05
assign (resid 12 and name HB2 ) (resid 13 and name HN ) 4.0 2.2 2.5  !5.260e+04
assign (resid 12 and name HB2 ) (resid 20 and name HN ) 4.0 2.2 2.5  !6.724e+04
assign (resid 12 and name HB2 ) (resid 21 and name HN ) 4.0 2.2 2.5  !7.469e+03
assign (resid 12 and name HN ) (resid 11 and name HN ) 4.0 2.2 2.5  !3.644e+04
assign (resid 12 and name HN ) (resid 13 and name HN ) 4.0 2.2 2.5  !4.321e+04
assign (resid 12 and name HN ) (resid 20 and name HN ) 4.0 2.2 2.5  !8.465e+04
assign (resid 12 and name HN ) (resid 22 and name HN ) 4.0 2.2 2.5  !1.602e+04
assign (resid 13 and name HA ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.415e+04
assign (resid 13 and name HA ) (resid 14 and name HN ) 2.6 0.8 0.4  !3.945e+05
assign (resid 13 and name HA ) (resid 19 and name HA ) 4.0 2.2 2.5  !5.050e+02
assign (resid 13 and name HA ) (resid 20 and name HN ) 4.0 2.2 2.5  !7.726e+04
assign (resid 13 and name HB1 ) (resid 13 and name HN ) 3.2 1.4 0.8  !2.731e+05
assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.0 2.2 2.5  !6.742e+04
assign (resid 13 and name HB1 ) (resid 17 and name HN ) 4.0 2.2 2.5  !1.387e+04
assign (resid 13 and name HB2 ) (resid 13 and name HN ) 3.2 1.4 0.8  !2.018e+05
assign (resid 13 and name HB2 ) (resid 14 and name HN ) 4.0 2.2 2.5  !6.064e+04
assign (resid 13 and name HB2 ) (resid 17 and name HN ) 4.0 2.2 2.5  !1.301e+04
assign (resid 13 and name HE1 ) (resid 13 and name HB1 ) 4.0 2.2 2.5  !1.068e+04
assign (resid 13 and name HE1 ) (resid 13 and name HB2 ) 4.0 2.2 2.5  !1.010e+04
assign (resid 13 and name HE1 ) (resid 13 and name HN ) 4.0 2.2 2.5  !8.638e+03
assign (resid 13 and name HE1 ) (resid 14 and name HN ) 4.0 2.2 2.5  !4.215e+04
assign (resid 13 and name HE1 ) (resid 17 and name HN ) 4.0 2.2 2.5  !3.788e+04
assign (resid 13 and name HE2 ) (resid 13 and name HN ) 4.0 2.2 2.5  !1.525e+04
assign (resid 13 and name HE2 ) (resid 14 and name HN ) 4.0 2.2 2.5  !4.858e+04
assign (resid 13 and name HE2 ) (resid 17 and name HN ) 4.0 2.2 2.5  !5.290e+04
assign (resid 13 and name HN ) (resid 12 and name HN ) 4.0 2.2 2.5  !6.229e+04
assign (resid 13 and name HN ) (resid 14 and name HN ) 4.0 2.2 2.5  !2.562e+04
assign (resid 14 and name HA ) (resid 12 and name HZ ) 4.0 2.2 2.5  !4.465e+03
assign (resid 14 and name HA ) (resid 16 and name HN ) 4.0 2.2 2.5  !2.282e+04
assign (resid 14 and name HN ) (resid 13 and name HN ) 4.0 2.2 2.5  !3.116e+04
assign (resid 14 and name HN ) (resid 16 and name HN ) 4.0 2.2 2.5  !8.314e+03
assign (resid 14 and name HN ) (resid 17 and name HN ) 4.0 2.2 2.5  !2.494e+04
assign (resid 14 and name HN ) (resid 20 and name HN ) 4.0 2.2 2.5  !3.011e+04
assign (resid 15 and name HA ) (resid 15 and name HD2 ) 4.0 2.2 2.5  !1.671e+04
assign (resid 15 and name HA ) (resid 16 and name HN ) 4.0 2.2 2.5  !4.303e+04
assign (resid 15 and name HA ) (resid 17 and name HN ) 4.0 2.2 2.5  !5.700e+04
assign (resid 15 and name HB1 ) (resid 15 and name HD2 ) 4.0 2.2 2.5  !1.355e+04
assign (resid 15 and name HB1 ) (resid 16 and name HN ) 4.0 2.2 2.5  !4.369e+04
assign (resid 15 and name HB2 ) (resid 15 and name HD2 ) 4.0 2.2 2.5  !6.228e+03
assign (resid 15 and name HB2 ) (resid 16 and name HN ) 4.0 2.2 2.5  !7.239e+04
assign (resid 16 and name HA ) (resid 17 and name HN ) 4.0 2.2 2.5  !9.459e+04
assign (resid 16 and name HA ) (resid 34 and name HB2 ) 4.0 2.2 2.5  !1.316e+04
assign (resid 16 and name HA ) (resid 34 and name HB1 ) 4.0 2.2 2.5  !1.120e+04
assign (resid 16 and name HA ) (resid 34 and name HN ) 4.0 2.2 2.5  !7.460e+04
assign (resid 16 and name HN ) (resid 14 and name HN ) 4.0 2.2 2.5  !3.158e+03
assign (resid 16 and name HN ) (resid 17 and name HN ) 4.0 2.2 2.5  !1.040e+05
assign (resid 17 and name HA1 ) (resid 13 and name HB1 ) 4.0 2.2 2.5  !9.054e+03
assign (resid 17 and name HA1 ) (resid 13 and name HE2 ) 4.0 2.2 2.5  !8.682e+03
assign (resid 17 and name HA2 ) (resid 13 and name HE2 ) 4.0 2.2 2.5  !6.034e+03
assign (resid 17 and name HN ) (resid 14 and name HN ) 4.0 2.2 2.5  !1.816e+04
assign (resid 17 and name HN ) (resid 16 and name HN ) 4.0 2.2 2.5  !1.604e+05
assign (resid 18 and name HA ) (resid 18 and name HG1 ) 4.0 2.2 2.5  !9.911e+03
assign (resid 18 and name HA ) (resid 18 and name HG2 ) 4.0 2.2 2.5  !1.607e+04
assign (resid 18 and name HA ) (resid 19 and name HN ) 2.6 0.8 0.4  !3.666e+05
assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.0 2.2 2.5  !1.044e+05
assign (resid 18 and name HB2 ) (resid 19 and name HN ) 4.0 2.2 2.5  !1.692e+05
assign (resid 18 and name HG1 ) (resid 17 and name HN ) 4.0 2.2 2.5  !8.845e+03
assign (resid 18 and name HG1 ) (resid 19 and name HN ) 4.0 2.2 2.5  !7.323e+04
assign (resid 18 and name HG2 ) (resid 17 and name HN ) 4.0 2.2 2.5  !1.201e+04
assign (resid 18 and name HG2 ) (resid 19 and name HN ) 4.0 2.2 2.5  !9.340e+04
assign (resid 19 and name HA ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.886e+04
assign (resid 19 and name HA ) (resid 13 and name HB1 ) 4.0 2.2 2.5  !2.385e+03
assign (resid 19 and name HA ) (resid 13 and name HB2 ) 4.0 2.2 2.5  !4.116e+03
assign (resid 19 and name HA ) (resid 13 and name HN ) 4.0 2.2 2.5  !1.154e+04
assign (resid 19 and name HA ) (resid 14 and name HN ) 4.0 2.2 2.5  !9.136e+04
assign (resid 19 and name HA ) (resid 20 and name HN ) 2.6 0.8 0.4  !4.310e+05
assign (resid 19 and name HB1 ) (resid 19 and name HN ) 3.2 1.4 0.8  !2.252e+05
assign (resid 19 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 2.5  !6.653e+04
assign (resid 19 and name HB2 ) (resid 19 and name HN ) 3.2 1.4 0.8  !2.220e+05
assign (resid 19 and name HB2 ) (resid 20 and name HN ) 4.0 2.2 2.5  !6.369e+04
assign (resid 19 and name HN ) (resid 20 and name HN ) 4.0 2.2 2.5  !2.667e+04
assign (resid 20 and name HA ) (resid 20 and name HG11 ) 4.0 2.2 2.5  !2.591e+03
assign (resid 20 and name HA ) (resid 20 and name HG12 ) 4.0 2.2 2.5  !1.761e+03
assign (resid 20 and name HA ) (resid 21 and name HN ) 2.6 0.8 0.4  !3.746e+05
assign (resid 20 and name HB ) (resid 20 and name HN ) 4.0 2.2 2.5  !4.648e+04
assign (resid 20 and name HB ) (resid 21 and name HN ) 2.6 0.8 0.4  !3.922e+05
assign (resid 20 and name HG11 ) (resid 20 and name HN ) 3.2 1.4 0.8  !1.745e+05
assign (resid 20 and name HG11 ) (resid 21 and name HN ) 4.0 2.2 2.5  !1.493e+05
assign (resid 20 and name HG12 ) (resid 20 and name HN ) 3.2 1.4 0.8  !1.791e+05
assign (resid 20 and name HG12 ) (resid 21 and name HN ) 4.0 2.2 2.5  !7.404e+04
assign (resid 20 and name HN ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.031e+05
assign (resid 20 and name HN ) (resid 14 and name HN ) 4.0 2.2 2.5  !3.592e+04
assign (resid 20 and name HN ) (resid 19 and name HN ) 4.0 2.2 2.5  !2.223e+04
assign (resid 20 and name HN ) (resid 21 and name HN ) 4.0 2.2 2.5  !2.236e+04
assign (resid 21 and name HA ) (resid 11 and name HB1 ) 4.0 2.2 2.5  !4.387e+03
assign (resid 21 and name HA ) (resid 11 and name HB2 ) 4.0 2.2 2.5  !5.823e+03
assign (resid 21 and name HA ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.126e+05
assign (resid 21 and name HA ) (resid 22 and name HB1 ) 4.0 2.2 2.5  !6.516e+03
assign (resid 21 and name HA ) (resid 22 and name HB2 ) 4.0 2.2 2.5  !6.036e+03
assign (resid 21 and name HA ) (resid 22 and name HN ) 3.2 1.4 0.8  !2.990e+05
assign (resid 21 and name HA ) (resid 23 and name HN ) 4.0 2.2 2.5  !3.585e+04
assign (resid 21 and name HB ) (resid 10 and name HD21 ) 4.0 2.2 2.5  !2.708e+04
assign (resid 21 and name HB ) (resid 10 and name HD22 ) 4.0 2.2 2.5  !2.801e+04
assign (resid 21 and name HB ) (resid 20 and name HN ) 4.0 2.2 2.5  !3.860e+04
assign (resid 21 and name HB ) (resid 21 and name HN ) 4.0 2.2 2.5  !1.044e+05
assign (resid 21 and name HB ) (resid 22 and name HN ) 3.2 1.4 0.8  !1.706e+05
assign (resid 21 and name HB ) (resid 23 and name HN ) 4.0 2.2 2.5  !1.150e+05
assign (resid 21 and name HN ) (resid 20 and name HN ) 4.0 2.2 2.5  !2.278e+04
assign (resid 21 and name HN ) (resid 22 and name HN ) 4.0 2.2 2.5  !3.675e+04
assign (resid 22 and name HA ) (resid 12 and name HB1 ) 4.0 2.2 2.5  !2.634e+03
assign (resid 22 and name HA ) (resid 12 and name HB2 ) 4.0 2.2 2.5  !4.513e+03
assign (resid 22 and name HA ) (resid 12 and name HN ) 4.0 2.2 2.5  !1.506e+04
assign (resid 22 and name HA ) (resid 22 and name HG ) 4.0 2.2 2.5  !1.008e+04
assign (resid 22 and name HA ) (resid 23 and name HN ) 4.0 2.2 2.5  !7.561e+04
assign (resid 22 and name HA ) (resid 24 and name HN ) 4.0 2.2 2.5  !6.344e+04
assign (resid 22 and name HA ) (resid 25 and name HB ) 4.0 2.2 2.5  !2.534e+03
assign (resid 22 and name HA ) (resid 25 and name HN ) 4.0 2.2 2.5  !8.002e+04
assign (resid 22 and name HA ) (resid 26 and name HN ) 4.0 2.2 2.5  !4.669e+04
assign (resid 22 and name HB1 ) (resid 22 and name HN ) 3.2 1.4 0.8  !2.014e+05
assign (resid 22 and name HB1 ) (resid 23 and name HN ) 4.0 2.2 2.5  !9.820e+04
assign (resid 22 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 2.5  !3.308e+04
assign (resid 22 and name HB1 ) (resid 25 and name HN ) 4.0 2.2 2.5  !2.267e+04
!assign (resid 22 and name HB2 ) (resid 22 and name HN ) 2.6 0.8 0.4  !3.106e+05
assign (resid 22 and name HB2 ) (resid 22 and name HN ) 3.2 1.4 0.8
assign (resid 22 and name HB2 ) (resid 23 and name HN ) 4.0 2.2 2.5  !8.765e+04
assign (resid 22 and name HG ) (resid 21 and name HN ) 4.0 2.2 2.5  !9.569e+04
assign (resid 22 and name HG ) (resid 22 and name HN ) 4.0 2.2 2.5  !1.199e+05
assign (resid 22 and name HG ) (resid 23 and name HN ) 4.0 2.2 2.5  !4.388e+04
assign (resid 22 and name HN ) (resid 21 and name HN ) 4.0 2.2 2.5  !2.897e+04
assign (resid 22 and name HN ) (resid 23 and name HN ) 3.2 1.4 0.8  !1.901e+05
assign (resid 23 and name HB1 ) (resid 23 and name HN ) 4.0 2.2 2.5  !1.332e+05
assign (resid 23 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 2.5  !3.688e+04
assign (resid 23 and name HB1 ) (resid 25 and name HN ) 4.0 2.2 2.5  !2.958e+04
assign (resid 23 and name HB2 ) (resid 23 and name HN ) 3.2 1.4 0.8  !2.157e+05
assign (resid 23 and name HB2 ) (resid 24 and name HN ) 4.0 2.2 2.5  !5.239e+04
assign (resid 23 and name HB2 ) (resid 25 and name HN ) 4.0 2.2 2.5  !2.301e+04
assign (resid 23 and name HN ) (resid 22 and name HN ) 4.0 2.2 2.5  !6.847e+04
assign (resid 23 and name HN ) (resid 24 and name HN ) 4.0 2.2 2.5  !1.341e+05
assign (resid 23 and name HN ) (resid 25 and name HN ) 4.0 2.2 2.5  !1.366e+04
assign (resid 24 and name HA ) (resid 23 and name HB1 ) 3.2 1.4 0.8  !2.559e+04
assign (resid 24 and name HA ) (resid 23 and name HB2 ) 3.2 1.4 0.8  !2.586e+04
assign (resid 24 and name HA ) (resid 24 and name HD2 ) 3.2 1.4 0.8  !2.677e+04
assign (resid 24 and name HA ) (resid 24 and name HG1 ) 3.2 1.4 0.8  !1.719e+04
assign (resid 24 and name HA ) (resid 24 and name HG2 ) 4.0 2.2 2.5  !1.086e+04
assign (resid 24 and name HA ) (resid 25 and name HN ) 4.0 2.2 2.5  !1.286e+05
assign (resid 24 and name HA ) (resid 27 and name HB2 ) 4.0 2.2 2.5  !7.519e+03
assign (resid 24 and name HA ) (resid 27 and name HD21 ) 4.0 2.2 2.5  !8.064e+04
assign (resid 24 and name HA ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !1.032e+05
assign (resid 24 and name HB1 ) (resid 21 and name HN ) 4.0 2.2 2.5  !1.304e+04
assign (resid 24 and name HB1 ) (resid 23 and name HN ) 4.0 2.2 2.5  !6.788e+03
assign (resid 24 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 2.5  !1.556e+05
assign (resid 24 and name HB1 ) (resid 25 and name HN ) 4.0 2.2 2.5  !2.680e+04
assign (resid 24 and name HB1 ) (resid 27 and name HD21 ) 4.0 2.2 2.5  !4.711e+04
assign (resid 24 and name HB1 ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !1.070e+04
assign (resid 24 and name HB2 ) (resid 21 and name HN ) 4.0 2.2 2.5  !4.516e+04
assign (resid 24 and name HB2 ) (resid 23 and name HN ) 4.0 2.2 2.5  !1.499e+04
assign (resid 24 and name HB2 ) (resid 24 and name HN ) 3.2 1.4 0.8  !2.112e+05
assign (resid 24 and name HB2 ) (resid 25 and name HN ) 4.0 2.2 2.5  !6.219e+04
assign (resid 24 and name HB2 ) (resid 27 and name HD21 ) 4.0 2.2 2.5  !5.539e+04
assign (resid 24 and name HB2 ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !4.482e+03
assign (resid 24 and name HD1 ) (resid 24 and name HN ) 4.0 2.2 2.5  !5.473e+04
assign (resid 24 and name HD1 ) (resid 25 and name HN ) 4.0 2.2 2.5  !5.241e+04
assign (resid 24 and name HD1 ) (resid 26 and name HN ) 4.0 2.2 2.5  !1.772e+04
assign (resid 24 and name HD1 ) (resid 27 and name HD21 ) 4.0 2.2 2.5  !2.204e+04
assign (resid 24 and name HD1 ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !9.983e+03
assign (resid 24 and name HD2 ) (resid 24 and name HN ) 4.0 2.2 2.5  !8.198e+04
assign (resid 24 and name HD2 ) (resid 25 and name HN ) 4.0 2.2 2.5  !3.288e+04
assign (resid 24 and name HD2 ) (resid 26 and name HN ) 4.0 2.2 2.5  !1.360e+04
assign (resid 24 and name HD2 ) (resid 27 and name HD21 ) 4.0 2.2 2.5  !1.833e+04
assign (resid 24 and name HD2 ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !9.422e+03
assign (resid 24 and name HG1 ) (resid 24 and name HN ) 4.0 2.2 2.5  !1.614e+05
assign (resid 24 and name HG1 ) (resid 25 and name HN ) 4.0 2.2 2.5  !3.263e+04
assign (resid 24 and name HG2 ) (resid 24 and name HN ) 3.2 1.4 0.8  !1.707e+05
assign (resid 24 and name HG2 ) (resid 25 and name HN ) 4.0 2.2 2.5  !2.223e+04
assign (resid 24 and name HN ) (resid 23 and name HN ) 3.2 1.4 0.8  !2.275e+05
assign (resid 24 and name HN ) (resid 25 and name HN ) 3.2 1.4 0.8  !2.784e+05
assign (resid 25 and name HA ) (resid 26 and name HB2 ) 4.0 2.2 2.5  !4.865e+03
assign (resid 25 and name HA ) (resid 26 and name HN ) 2.6 0.8 0.4  !3.614e+05
assign (resid 25 and name HA ) (resid 27 and name HN ) 4.0 2.2 2.5  !2.107e+04
assign (resid 25 and name HA ) (resid 37 and name HB2 ) 4.0 2.2 2.5  !8.818e+03
assign (resid 25 and name HB ) (resid 24 and name HN ) 4.0 2.2 2.5  !8.639e+04
assign (resid 25 and name HB ) (resid 25 and name HN ) 2.6 0.8 0.4  !3.493e+05
assign (resid 25 and name HB ) (resid 26 and name HN ) 4.0 2.2 2.5  !7.465e+04
assign (resid 25 and name HB ) (resid 63 and name HB1 ) 4.0 2.2 2.5  !1.434e+04
assign (resid 25 and name HB ) (resid 63 and name HB2 ) 4.0 2.2 2.5  !8.028e+03
assign (resid 25 and name HN ) (resid 24 and name HN ) 2.6 0.8 0.4  !3.013e+05
assign (resid 25 and name HN ) (resid 26 and name HN ) 4.0 2.2 2.5  !3.056e+04
assign (resid 26 and name HA ) (resid 27 and name HN ) 3.2 1.4 0.8  !2.581e+05
assign (resid 26 and name HA ) (resid 28 and name HN ) 4.0 2.2 2.5  !1.028e+05
assign (resid 26 and name HB2 ) (resid 26 and name HN ) 4.0 2.2 2.5  !1.467e+05
assign (resid 26 and name HB2 ) (resid 27 and name HN ) 4.0 2.2 2.5  !5.083e+04
assign (resid 26 and name HB1 ) (resid 26 and name HN ) 4.0 2.2 2.5  !1.038e+05
assign (resid 26 and name HB1 ) (resid 27 and name HN ) 4.0 2.2 2.5  !4.309e+04
assign (resid 26 and name HB1 ) (resid 43 and name HB2 ) 4.0 2.2 2.5  !6.438e+03
assign (resid 26 and name HN ) (resid 25 and name HN ) 4.0 2.2 2.5  !2.381e+04
assign (resid 27 and name HA ) (resid 27 and name HD21 ) 4.0 2.2 2.5  !4.411e+04
assign (resid 27 and name HA ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !3.470e+04
assign (resid 27 and name HA ) (resid 28 and name HN ) 4.0 2.2 2.5  !7.470e+04
assign (resid 27 and name HA ) (resid 29 and name HN ) 4.0 2.2 2.5  !2.815e+04
assign (resid 27 and name HB1 ) (resid 27 and name HD21 ) 3.2 1.4 0.8  !2.223e+05
assign (resid 27 and name HB1 ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !1.276e+05
assign (resid 27 and name HB1 ) (resid 27 and name HN ) 4.0 2.2 2.5  !7.325e+04
assign (resid 27 and name HB1 ) (resid 28 and name HN ) 4.0 2.2 2.5  !2.518e+04
assign (resid 27 and name HB1 ) (resid 29 and name HN ) 4.0 2.2 2.5  !1.346e+04
assign (resid 27 and name HB2 ) (resid 26 and name HN ) 4.0 2.2 2.5  !4.113e+04
assign (resid 27 and name HB2 ) (resid 27 and name HD21 ) 4.0 2.2 2.5  !1.617e+05
assign (resid 27 and name HB2 ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !1.185e+05
assign (resid 27 and name HB2 ) (resid 27 and name HN ) 3.2 1.4 0.8  !1.854e+05
assign (resid 27 and name HD22 ) (resid 29 and name HN ) 4.0 2.2 2.5  !1.216e+04
assign (resid 27 and name HN ) (resid 26 and name HN ) 4.0 2.2 2.5  !1.490e+05
assign (resid 27 and name HN ) (resid 28 and name HN ) 4.0 2.2 2.5  !1.611e+05
assign (resid 27 and name HN ) (resid 29 and name HN ) 4.0 2.2 2.5  !1.036e+05
assign (resid 28 and name HA ) (resid 27 and name HN ) 4.0 2.2 2.5  !1.569e+05
assign (resid 28 and name HA ) (resid 28 and name HG1 ) 3.2 1.4 0.8  !2.592e+04
assign (resid 28 and name HA ) (resid 28 and name HG2 ) 4.0 2.2 2.5  !8.903e+03
assign (resid 28 and name HA ) (resid 29 and name HN ) 3.2 1.4 0.8  !2.016e+05
assign (resid 28 and name HB1 ) (resid 28 and name HN ) 4.0 2.2 2.5  !1.311e+05
assign (resid 28 and name HB1 ) (resid 29 and name HN ) 3.2 1.4 0.8  !2.017e+05
assign (resid 28 and name HB2 ) (resid 28 and name HN ) 4.0 2.2 2.5  !1.238e+05
assign (resid 28 and name HB2 ) (resid 29 and name HN ) 4.0 2.2 2.5  !1.146e+05
assign (resid 28 and name HG1 ) (resid 28 and name HN ) 4.0 2.2 2.5  !6.297e+04
assign (resid 28 and name HG2 ) (resid 28 and name HN ) 4.0 2.2 2.5  !5.837e+04
assign (resid 28 and name HN ) (resid 29 and name HN ) 3.2 1.4 0.8  !2.443e+05
assign (resid 29 and name HA ) (resid 30 and name HN ) 4.0 2.2 2.5  !8.860e+04
assign (resid 29 and name HA ) (resid 35 and name HH2 ) 4.0 2.2 2.5  !6.043e+03
assign (resid 29 and name HA ) (resid 35 and name HZ3 ) 4.0 2.2 2.5  !6.731e+03
assign (resid 29 and name HN ) (resid 27 and name HD22 ) 4.0 2.2 2.5  !1.135e+04
assign (resid 29 and name HN ) (resid 27 and name HN ) 4.0 2.2 2.5  !9.297e+04
assign (resid 29 and name HN ) (resid 28 and name HN ) 3.2 1.4 0.8  !1.966e+05
assign (resid 30 and name HA ) (resid 30 and name HG1 ) 4.0 2.2 2.5  !4.647e+03
assign (resid 30 and name HA ) (resid 30 and name HG2 ) 4.0 2.2 2.5  !3.741e+03
assign (resid 30 and name HA ) (resid 31 and name HN ) 3.2 1.4 0.8  !1.863e+05
assign (resid 30 and name HA ) (resid 32 and name HN ) 4.0 2.2 2.5  !9.523e+04
assign (resid 30 and name HD1 ) (resid 32 and name HN ) 4.0 2.2 2.5  !4.617e+03
assign (resid 30 and name HD1 ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !6.190e+02
assign (resid 30 and name HD1 ) (resid 35 and name HE1 ) 4.0 2.2 2.5  !4.099e+04
assign (resid 30 and name HD1 ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !2.751e+03
assign (resid 30 and name HD1 ) (resid 35 and name HH2 ) 4.0 2.2 2.5  !1.566e+03
assign (resid 30 and name HD1 ) (resid 35 and name HN ) 4.0 2.2 2.5  !2.059e+04
assign (resid 30 and name HD1 ) (resid 35 and name HZ2 ) 4.0 2.2 2.5  !5.263e+03
assign (resid 30 and name HD2 ) (resid 32 and name HN ) 4.0 2.2 2.5  !8.756e+03
assign (resid 30 and name HD2 ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !8.740e+02
assign (resid 30 and name HD2 ) (resid 35 and name HE1 ) 4.0 2.2 2.5  !3.086e+04
assign (resid 30 and name HD2 ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !3.225e+03
assign (resid 30 and name HD2 ) (resid 35 and name HH2 ) 4.0 2.2 2.5  !1.889e+03
assign (resid 30 and name HD2 ) (resid 35 and name HN ) 4.0 2.2 2.5  !1.225e+04
assign (resid 30 and name HD2 ) (resid 35 and name HZ2 ) 4.0 2.2 2.5  !5.697e+03
assign (resid 30 and name HG1 ) (resid 31 and name HN ) 4.0 2.2 2.5  !7.517e+03
assign (resid 30 and name HG1 ) (resid 32 and name HN ) 4.0 2.2 2.5  !8.136e+03
assign (resid 30 and name HG1 ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !1.622e+03
assign (resid 30 and name HG1 ) (resid 35 and name HE1 ) 4.0 2.2 2.5  !6.459e+03
assign (resid 30 and name HG1 ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !8.530e+02
assign (resid 30 and name HG1 ) (resid 35 and name HZ2 ) 4.0 2.2 2.5  !2.714e+03
assign (resid 30 and name HG2 ) (resid 31 and name HN ) 4.0 2.2 2.5  !1.392e+04
assign (resid 30 and name HG2 ) (resid 32 and name HN ) 4.0 2.2 2.5  !1.734e+04
assign (resid 30 and name HG2 ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !2.296e+03
assign (resid 30 and name HG2 ) (resid 35 and name HE1 ) 4.0 2.2 2.5  !4.412e+03
assign (resid 30 and name HG2 ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !4.570e+02
assign (resid 30 and name HG2 ) (resid 35 and name HZ2 ) 4.0 2.2 2.5  !1.040e+03
assign (resid 31 and name HA ) (resid 32 and name HN ) 4.0 2.2 2.5  !1.074e+05
assign (resid 31 and name HB1 ) (resid 31 and name HN ) 4.0 2.2 2.5  !7.929e+04
assign (resid 31 and name HB1 ) (resid 32 and name HN ) 4.0 2.2 2.5  !7.051e+04
assign (resid 31 and name HB2 ) (resid 31 and name HN ) 4.0 2.2 2.5  !1.117e+05
assign (resid 31 and name HB2 ) (resid 32 and name HN ) 4.0 2.2 2.5  !7.103e+04
assign (resid 31 and name HN ) (resid 32 and name HN ) 3.2 1.4 0.8  !2.917e+05
assign (resid 32 and name HA ) (resid 33 and name HN ) 4.0 2.2 2.5  !8.677e+04
assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 2.5  !8.623e+03
assign (resid 32 and name HB1 ) (resid 16 and name HN ) 4.0 2.2 2.5  !5.482e+04
assign (resid 32 and name HB1 ) (resid 32 and name HN ) 4.0 2.2 2.5  !9.776e+04
assign (resid 32 and name HB1 ) (resid 33 and name HN ) 4.0 2.2 2.5  !2.115e+04
assign (resid 32 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 2.5  !4.734e+04
assign (resid 32 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 2.5  !8.708e+04
assign (resid 32 and name HB1 ) (resid 36 and name HN ) 4.0 2.2 2.5  !7.626e+03
assign (resid 32 and name HB1 ) (resid 37 and name HN ) 4.0 2.2 2.5  !3.019e+04
assign (resid 32 and name HB2 ) (resid 16 and name HN ) 4.0 2.2 2.5  !9.455e+04
assign (resid 32 and name HB2 ) (resid 32 and name HN ) 4.0 2.2 2.5  !6.091e+04
assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.0 2.2 2.5  !1.922e+04
assign (resid 32 and name HB2 ) (resid 34 and name HB2 ) 4.0 2.2 2.5  !8.744e+03
assign (resid 32 and name HB2 ) (resid 34 and name HN ) 4.0 2.2 2.5  !6.845e+04
assign (resid 32 and name HB2 ) (resid 35 and name HN ) 4.0 2.2 2.5  !6.548e+04
assign (resid 32 and name HB2 ) (resid 36 and name HN ) 4.0 2.2 2.5  !2.288e+04
assign (resid 32 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 2.5  !2.698e+04
assign (resid 32 and name HN ) (resid 31 and name HN ) 3.2 1.4 0.8  !1.733e+05
assign (resid 32 and name HN ) (resid 35 and name HN ) 4.0 2.2 2.5  !3.280e+04
assign (resid 33 and name HA ) (resid 33 and name HG1 ) 3.2 1.4 0.8  !1.828e+04
assign (resid 33 and name HA ) (resid 33 and name HG2 ) 4.0 2.2 2.5  !1.494e+04
assign (resid 33 and name HA ) (resid 34 and name HN ) 4.0 2.2 2.5  !3.872e+04
assign (resid 33 and name HA ) (resid 35 and name HN ) 4.0 2.2 2.5  !3.317e+04
assign (resid 33 and name HB1 ) (resid 33 and name HN ) 4.0 2.2 2.5  !6.568e+04
assign (resid 33 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 2.5  !4.801e+04
assign (resid 33 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 2.5  !1.148e+04
assign (resid 33 and name HB2 ) (resid 33 and name HN ) 4.0 2.2 2.5  !6.382e+04
assign (resid 33 and name HB2 ) (resid 34 and name HN ) 4.0 2.2 2.5  !7.833e+04
assign (resid 33 and name HB2 ) (resid 35 and name HN ) 4.0 2.2 2.5  !2.525e+04
assign (resid 33 and name HN ) (resid 34 and name HN ) 4.0 2.2 2.5  !4.230e+04
assign (resid 34 and name HA ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !7.667e+03
assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 2.5  !5.903e+04
assign (resid 34 and name HB2 ) (resid 34 and name HN ) 4.0 2.2 2.5  !1.093e+05
assign (resid 34 and name HB2 ) (resid 35 and name HN ) 4.0 2.2 2.5  !5.598e+04
assign (resid 34 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 2.5  !7.455e+04
assign (resid 34 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 2.5  !3.329e+04
assign (resid 34 and name HN ) (resid 33 and name HN ) 4.0 2.2 2.5  !1.795e+04
assign (resid 34 and name HN ) (resid 35 and name HN ) 4.0 2.2 2.5  !1.366e+05
assign (resid 35 and name HA ) (resid 32 and name HN ) 4.0 2.2 2.5  !2.072e+04
assign (resid 35 and name HA ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !1.097e+04
assign (resid 35 and name HA ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !8.935e+03
assign (resid 35 and name HA ) (resid 37 and name HN ) 4.0 2.2 2.5  !2.331e+04
assign (resid 35 and name HA ) (resid 38 and name HN ) 4.0 2.2 2.5  !4.543e+04
assign (resid 35 and name HB1 ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !1.405e+04
assign (resid 35 and name HB1 ) (resid 35 and name HE1 ) 4.0 2.2 2.5  !2.919e+04
assign (resid 35 and name HB1 ) (resid 35 and name HE3 ) 3.2 1.4 0.8  !2.437e+04
assign (resid 35 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 2.5  !9.656e+04
assign (resid 35 and name HB1 ) (resid 38 and name HN ) 4.0 2.2 2.5  !4.188e+04
assign (resid 35 and name HB2 ) (resid 35 and name HD1 ) 4.0 2.2 2.5  !1.347e+04
assign (resid 35 and name HB2 ) (resid 35 and name HE1 ) 4.0 2.2 2.5  !1.423e+04
assign (resid 35 and name HB2 ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !1.364e+04
assign (resid 35 and name HB2 ) (resid 35 and name HN ) 4.0 2.2 2.5  !5.224e+04
assign (resid 35 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 2.5  !2.333e+04
assign (resid 35 and name HD1 ) (resid 35 and name HN ) 4.0 2.2 2.5  !7.649e+04
assign (resid 35 and name HD1 ) (resid 38 and name HN ) 4.0 2.2 2.5  !1.314e+04
assign (resid 35 and name HE1 ) (resid 35 and name HN ) 4.0 2.2 2.5  !2.723e+04
assign (resid 35 and name HE3 ) (resid 35 and name HN ) 4.0 2.2 2.5  !2.753e+04
assign (resid 35 and name HE3 ) (resid 38 and name HN ) 4.0 2.2 2.5  !3.971e+04
assign (resid 35 and name HN ) (resid 32 and name HN ) 4.0 2.2 2.5  !2.268e+04
assign (resid 35 and name HN ) (resid 34 and name HN ) 4.0 2.2 2.5  !7.887e+04
assign (resid 35 and name HZ3 ) (resid 38 and name HN ) 4.0 2.2 2.5  !4.507e+03
assign (resid 36 and name HA ) (resid 15 and name HD2 ) 4.0 2.2 2.5  !5.968e+03
assign (resid 36 and name HA ) (resid 35 and name HN ) 4.0 2.2 2.5  !1.485e+04
assign (resid 36 and name HA ) (resid 37 and name HN ) 4.0 2.2 2.5  !3.027e+04
assign (resid 36 and name HA ) (resid 38 and name HN ) 4.0 2.2 2.5  !5.488e+04
assign (resid 36 and name HB1 ) (resid 15 and name HD2 ) 4.0 2.2 2.5  !5.267e+03
assign (resid 36 and name HB1 ) (resid 36 and name HN ) 4.0 2.2 2.5  !2.792e+04
assign (resid 36 and name HB1 ) (resid 38 and name HN ) 4.0 2.2 2.5  !1.298e+04
assign (resid 36 and name HB2 ) (resid 15 and name HD2 ) 4.0 2.2 2.5  !4.362e+03
assign (resid 36 and name HB2 ) (resid 36 and name HN ) 4.0 2.2 2.5  !1.464e+04
assign (resid 36 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 2.5  !9.595e+03
assign (resid 36 and name HN ) (resid 35 and name HN ) 4.0 2.2 2.5  !5.395e+04
assign (resid 36 and name HN ) (resid 37 and name HN ) 4.0 2.2 2.5  !7.923e+03
assign (resid 37 and name HA ) (resid 12 and name HZ ) 4.0 2.2 2.5  !6.820e+03
assign (resid 37 and name HA ) (resid 26 and name HB2 ) 4.0 2.2 2.5  !5.253e+03
assign (resid 37 and name HA ) (resid 26 and name HN ) 4.0 2.2 2.5  !3.382e+04
assign (resid 37 and name HA ) (resid 31 and name HB1 ) 4.0 2.2 2.5  !6.584e+03
assign (resid 37 and name HA ) (resid 31 and name HB2 ) 4.0 2.2 2.5  !1.005e+04
assign (resid 37 and name HA ) (resid 36 and name HA ) 4.0 2.2 2.5  !9.885e+03
assign (resid 37 and name HA ) (resid 38 and name HN ) 4.0 2.2 2.5  !7.011e+04
assign (resid 37 and name HB1 ) (resid 37 and name HN ) 4.0 2.2 2.5  !4.651e+04
assign (resid 37 and name HB1 ) (resid 38 and name HN ) 4.0 2.2 2.5  !2.371e+04
assign (resid 37 and name HB2 ) (resid 26 and name HN ) 4.0 2.2 2.5  !9.403e+04
assign (resid 37 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 2.5  !4.149e+04
assign (resid 37 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 2.5  !3.301e+04
assign (resid 37 and name HN ) (resid 35 and name HN ) 4.0 2.2 2.5  !2.726e+04
assign (resid 37 and name HN ) (resid 38 and name HN ) 3.2 1.4 0.8  !2.347e+05
assign (resid 38 and name HA ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !5.671e+03
assign (resid 38 and name HA ) (resid 39 and name HD1 ) 4.0 2.2 2.5  !5.604e+03
assign (resid 38 and name HA ) (resid 39 and name HD2 ) 3.2 1.4 0.8  !1.873e+04
assign (resid 38 and name HB2 ) (resid 35 and name HE3 ) 4.0 2.2 2.5  !1.666e+04
assign (resid 38 and name HB2 ) (resid 35 and name HZ3 ) 4.0 2.2 2.5  !9.860e+03
assign (resid 38 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 2.5  !1.620e+04
assign (resid 38 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 2.5  !1.240e+05
assign (resid 38 and name HB1 ) (resid 35 and name HE3 ) 3.2 1.4 0.8  !2.049e+04
assign (resid 38 and name HB1 ) (resid 35 and name HZ3 ) 4.0 2.2 2.5  !5.070e+03
assign (resid 38 and name HB1 ) (resid 37 and name HN ) 4.0 2.2 2.5  !1.659e+04
assign (resid 38 and name HB1 ) (resid 38 and name HN ) 3.2 1.4 0.8  !1.836e+05
assign (resid 38 and name HN ) (resid 37 and name HN ) 4.0 2.2 2.5  !9.645e+04
assign (resid 39 and name HA ) (resid 40 and name HN ) 2.6 0.8 0.4  !6.024e+05
assign (resid 39 and name HA ) (resid 41 and name HN ) 4.0 2.2 2.5  !7.400e+04
assign (resid 39 and name HA ) (resid 42 and name HN ) 4.0 2.2 2.5  !2.036e+04
assign (resid 39 and name HA ) (resid 43 and name HN ) 4.0 2.2 2.5  !1.203e+04
assign (resid 39 and name HB1 ) (resid 38 and name HN ) 4.0 2.2 2.5  !4.419e+04
assign (resid 39 and name HB1 ) (resid 40 and name HN ) 4.0 2.2 2.5  !8.674e+04
assign (resid 39 and name HB1 ) (resid 42 and name HN ) 4.0 2.2 2.5  !6.076e+04
assign (resid 39 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 2.5  !3.211e+04
assign (resid 39 and name HB2 ) (resid 40 and name HN ) 4.0 2.2 2.5  !2.668e+04
assign (resid 39 and name HB2 ) (resid 42 and name HN ) 4.0 2.2 2.5  !6.251e+04
assign (resid 39 and name HD1 ) (resid 38 and name HN ) 4.0 2.2 2.5  !1.299e+05
assign (resid 39 and name HD1 ) (resid 39 and name HB1 ) 4.0 2.2 2.5  !6.832e+03
assign (resid 39 and name HD1 ) (resid 39 and name HB2 ) 4.0 2.2 2.5  !1.146e+04
assign (resid 39 and name HD2 ) (resid 38 and name HN ) 4.0 2.2 2.5  !1.062e+05
assign (resid 39 and name HD2 ) (resid 39 and name HB1 ) 4.0 2.2 2.5  !6.963e+03
assign (resid 39 and name HD2 ) (resid 39 and name HB2 ) 4.0 2.2 2.5  !1.205e+04
assign (resid 39 and name HG1 ) (resid 40 and name HN ) 4.0 2.2 2.5  !9.730e+04
assign (resid 39 and name HG2 ) (resid 38 and name HN ) 4.0 2.2 2.5  !5.126e+04
assign (resid 39 and name HG2 ) (resid 40 and name HN ) 4.0 2.2 2.5  !1.548e+04
assign (resid 40 and name HA ) (resid 40 and name HG11 ) 4.0 2.2 2.5  !1.513e+04
assign (resid 40 and name HA ) (resid 40 and name HG12 ) 2.6 0.8 0.4  !3.070e+04
assign (resid 40 and name HA ) (resid 41 and name HN ) 4.0 2.2 2.5  !9.742e+04
assign (resid 40 and name HA ) (resid 42 and name HN ) 4.0 2.2 2.5  !1.405e+04
assign (resid 40 and name HA ) (resid 43 and name HB1 ) 4.0 2.2 2.5  !5.373e+03
assign (resid 40 and name HA ) (resid 43 and name HB2 ) 4.0 2.2 2.5  !4.730e+03
assign (resid 40 and name HA ) (resid 43 and name HN ) 4.0 2.2 2.5  !3.653e+04
assign (resid 40 and name HB ) (resid 40 and name HN ) 2.6 0.8 0.4  !4.267e+05
assign (resid 40 and name HG11 ) (resid 40 and name HN ) 3.2 1.4 0.8  !2.517e+05
assign (resid 40 and name HG11 ) (resid 41 and name HN ) 4.0 2.2 2.5  !6.986e+04
assign (resid 40 and name HG11 ) (resid 42 and name HN ) 4.0 2.2 2.5  !9.992e+03
assign (resid 40 and name HG12 ) (resid 40 and name HN ) 3.2 1.4 0.8  !1.948e+05
assign (resid 40 and name HG12 ) (resid 41 and name HN ) 4.0 2.2 2.5  !3.676e+04
assign (resid 40 and name HG12 ) (resid 42 and name HN ) 4.0 2.2 2.5  !1.444e+04
assign (resid 40 and name HN ) (resid 41 and name HN ) 4.0 2.2 2.5  !1.027e+05
assign (resid 41 and name HA ) (resid 40 and name HN ) 4.0 2.2 2.5  !2.280e+04
assign (resid 41 and name HA ) (resid 41 and name HG1 ) 3.2 1.4 0.8  !2.132e+04
assign (resid 41 and name HA ) (resid 41 and name HG2 ) 4.0 2.2 2.5  !1.369e+04
assign (resid 41 and name HA ) (resid 42 and name HN ) 4.0 2.2 2.5  !9.028e+04
assign (resid 41 and name HG1 ) (resid 41 and name HN ) 4.0 2.2 2.5  !1.036e+05
assign (resid 41 and name HG1 ) (resid 42 and name HN ) 4.0 2.2 2.5  !2.383e+04
assign (resid 41 and name HG2 ) (resid 41 and name HN ) 4.0 2.2 2.5  !7.618e+04
assign (resid 41 and name HG2 ) (resid 42 and name HN ) 4.0 2.2 2.5  !2.810e+04
assign (resid 41 and name HN ) (resid 40 and name HN ) 4.0 2.2 2.5  !1.433e+05
assign (resid 41 and name HN ) (resid 42 and name HN ) 4.0 2.2 2.5  !1.431e+05
assign (resid 41 and name HN ) (resid 43 and name HN ) 4.0 2.2 2.5  !1.738e+04
assign (resid 42 and name HA ) (resid 42 and name HG1 ) 4.0 2.2 2.5  !1.118e+04
assign (resid 42 and name HA ) (resid 42 and name HG2 ) 3.2 1.4 0.8  !2.935e+04
assign (resid 42 and name HA ) (resid 43 and name HN ) 4.0 2.2 2.5  !7.840e+04
assign (resid 42 and name HA ) (resid 45 and name HB ) 4.0 2.2 2.5  !1.116e+04
assign (resid 42 and name HA ) (resid 45 and name HN ) 4.0 2.2 2.5  !6.883e+04
assign (resid 42 and name HG1 ) (resid 41 and name HN ) 4.0 2.2 2.5  !3.284e+04
assign (resid 42 and name HG1 ) (resid 42 and name HN ) 4.0 2.2 2.5  !1.633e+05
assign (resid 42 and name HG1 ) (resid 43 and name HN ) 4.0 2.2 2.5  !9.046e+04
assign (resid 42 and name HG1 ) (resid 65 and name HN ) 4.0 2.2 2.5  !3.519e+04
assign (resid 42 and name HG2 ) (resid 41 and name HN ) 4.0 2.2 2.5  !7.774e+03
assign (resid 42 and name HG2 ) (resid 42 and name HN ) 4.0 2.2 2.5  !1.228e+05
assign (resid 42 and name HG2 ) (resid 43 and name HN ) 4.0 2.2 2.5  !1.178e+05
assign (resid 42 and name HG2 ) (resid 65 and name HN ) 4.0 2.2 2.5  !2.664e+04
assign (resid 42 and name HN ) (resid 41 and name HN ) 4.0 2.2 2.5  !1.286e+05
assign (resid 43 and name HA ) (resid 44 and name HN ) 4.0 2.2 2.5  !1.152e+05
assign (resid 43 and name HB1 ) (resid 43 and name HN ) 3.2 1.4 0.8  !2.630e+05
assign (resid 43 and name HB1 ) (resid 44 and name HN ) 4.0 2.2 2.5  !3.694e+04
assign (resid 43 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 2.5  !2.958e+04
assign (resid 43 and name HB2 ) (resid 43 and name HN ) 3.2 1.4 0.8  !1.810e+05
assign (resid 43 and name HB2 ) (resid 44 and name HN ) 4.0 2.2 2.5  !1.778e+04
assign (resid 43 and name HB2 ) (resid 45 and name HN ) 4.0 2.2 2.5  !2.043e+04
assign (resid 43 and name HN ) (resid 44 and name HN ) 4.0 2.2 2.5  !2.348e+04
assign (resid 43 and name HN ) (resid 45 and name HN ) 4.0 2.2 2.5  !1.278e+04
assign (resid 44 and name HN ) (resid 43 and name HN ) 4.0 2.2 2.5  !4.099e+04
assign (resid 44 and name HN ) (resid 45 and name HN ) 4.0 2.2 2.5  !1.622e+05
assign (resid 45 and name HA ) (resid 43 and name HN ) 4.0 2.2 2.5  !9.922e+03
assign (resid 45 and name HA ) (resid 46 and name HN ) 2.6 0.8 0.4  !3.131e+05
assign (resid 45 and name HA ) (resid 47 and name HN ) 4.0 2.2 2.5  !5.026e+03
assign (resid 45 and name HB ) (resid 45 and name HN ) 2.6 0.8 0.4  !3.213e+05
assign (resid 45 and name HB ) (resid 46 and name HN ) 4.0 2.2 2.5  !2.436e+04
assign (resid 45 and name HN ) (resid 43 and name HN ) 3.2 1.4 0.8  !1.881e+05
assign (resid 45 and name HN ) (resid 44 and name HN ) 4.0 2.2 2.5  !7.039e+04
assign (resid 45 and name HN ) (resid 46 and name HN ) 4.0 2.2 2.5  !5.519e+03
assign (resid 46 and name HA ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !2.151e+04
assign (resid 46 and name HA ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !2.786e+04
assign (resid 46 and name HA ) (resid 47 and name HN ) 2.6 0.8 0.4  !4.917e+05
assign (resid 46 and name HA ) (resid 48 and name HN ) 4.0 2.2 2.5  !1.117e+05
assign (resid 46 and name HA ) (resid 49 and name HN ) 4.0 2.2 2.5  !1.577e+04
assign (resid 46 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 2.5  !7.711e+03
assign (resid 46 and name HB1 ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !1.603e+05
assign (resid 46 and name HB1 ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !1.332e+05
assign (resid 46 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 2.5  !9.909e+04
assign (resid 46 and name HB1 ) (resid 47 and name HN ) 4.0 2.2 2.5  !8.227e+04
assign (resid 46 and name HB2 ) (resid 45 and name HN ) 4.0 2.2 2.5  !1.255e+04
assign (resid 46 and name HB2 ) (resid 46 and name HD21 ) 3.2 1.4 0.8  !1.890e+05
assign (resid 46 and name HB2 ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !1.445e+05
assign (resid 46 and name HB2 ) (resid 46 and name HN ) 4.0 2.2 2.5  !9.359e+04
assign (resid 46 and name HB2 ) (resid 47 and name HN ) 4.0 2.2 2.5  !5.666e+04
assign (resid 46 and name HD21 ) (resid 49 and name HN ) 4.0 2.2 2.5  !1.415e+04
assign (resid 46 and name HD22 ) (resid 48 and name HN ) 4.0 2.2 2.5  !4.945e+04
assign (resid 46 and name HD22 ) (resid 49 and name HN ) 4.0 2.2 2.5  !2.597e+04
assign (resid 46 and name HN ) (resid 45 and name HN ) 4.0 2.2 2.5  !2.391e+04
assign (resid 46 and name HN ) (resid 47 and name HN ) 4.0 2.2 2.5  !1.783e+04
assign (resid 47 and name HA ) (resid 48 and name HN ) 4.0 2.2 2.5  !6.046e+04
assign (resid 47 and name HA ) (resid 49 and name HN ) 4.0 2.2 2.5  !3.946e+04
assign (resid 47 and name HA ) (resid 50 and name HN ) 4.0 2.2 2.5  !2.919e+04
assign (resid 47 and name HB1 ) (resid 47 and name HN ) 4.0 2.2 2.5  !6.948e+04
assign (resid 47 and name HB1 ) (resid 48 and name HN ) 4.0 2.2 2.5  !1.436e+04
assign (resid 47 and name HB2 ) (resid 47 and name HN ) 2.6 0.8 0.4  !4.249e+05
assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 2.5  !1.018e+05
assign (resid 47 and name HN ) (resid 46 and name HN ) 4.0 2.2 2.5  !6.150e+03
assign (resid 47 and name HN ) (resid 48 and name HN ) 4.0 2.2 2.5  !1.612e+05
assign (resid 48 and name HA ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !8.369e+03
assign (resid 48 and name HA ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !4.782e+03
assign (resid 48 and name HA ) (resid 47 and name HN ) 4.0 2.2 2.5  !2.418e+04
assign (resid 48 and name HB2 ) (resid 48 and name HN ) 3.2 1.4 0.8  !2.696e+05
assign (resid 48 and name HB2 ) (resid 49 and name HN ) 4.0 2.2 2.5  !1.093e+05
assign (resid 48 and name HB2 ) (resid 59 and name HN ) 4.0 2.2 2.5  !7.650e+03
assign (resid 48 and name HB1 ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !1.457e+04
assign (resid 48 and name HB1 ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !1.756e+04
assign (resid 48 and name HB1 ) (resid 47 and name HN ) 4.0 2.2 2.5  !8.342e+03
assign (resid 48 and name HB1 ) (resid 48 and name HN ) 3.2 1.4 0.8  !2.880e+05
assign (resid 48 and name HB1 ) (resid 49 and name HN ) 4.0 2.2 2.5  !6.174e+04
assign (resid 48 and name HB1 ) (resid 59 and name HB1 ) 4.0 2.2 2.5  !1.082e+04
assign (resid 48 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 2.5  !1.436e+04
assign (resid 48 and name HN ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !8.834e+03
assign (resid 48 and name HN ) (resid 47 and name HN ) 4.0 2.2 2.5  !1.274e+05
assign (resid 48 and name HN ) (resid 49 and name HN ) 3.2 1.4 0.8  !2.224e+05
assign (resid 49 and name HA ) (resid 49 and name HG ) 3.2 1.4 0.8  !2.508e+04
assign (resid 49 and name HA ) (resid 50 and name HN ) 4.0 2.2 2.5  !1.139e+05
assign (resid 49 and name HA ) (resid 52 and name HN ) 4.0 2.2 2.5  !7.056e+04
assign (resid 49 and name HB1 ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !6.521e+03
assign (resid 49 and name HB1 ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !5.518e+03
assign (resid 49 and name HB1 ) (resid 48 and name HN ) 4.0 2.2 2.5  !3.439e+04
!assign (resid 49 and name HB1 ) (resid 49 and name HN ) 2.6 0.8 0.4  !3.322e+05
assign (resid 49 and name HB1 ) (resid 49 and name HN ) 3.2 1.4 0.8
assign (resid 49 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 2.5  !8.363e+04
assign (resid 49 and name HB2 ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !7.587e+04
assign (resid 49 and name HB2 ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !5.642e+04
assign (resid 49 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 2.5  !9.580e+04
!assign (resid 49 and name HB2 ) (resid 49 and name HN ) 2.6 0.8 0.4  !3.731e+05
assign (resid 49 and name HB2 ) (resid 49 and name HN ) 3.2 1.4 0.8
assign (resid 49 and name HB2 ) (resid 50 and name HN ) 4.0 2.2 2.5  !1.099e+05
assign (resid 49 and name HG ) (resid 49 and name HN ) 2.6 0.8 0.4  !3.716e+05
assign (resid 49 and name HN ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !2.019e+04
assign (resid 49 and name HN ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !1.814e+04
assign (resid 49 and name HN ) (resid 47 and name HN ) 4.0 2.2 2.5  !2.176e+04
assign (resid 49 and name HN ) (resid 48 and name HN ) 2.6 0.8 0.4  !3.210e+05
assign (resid 50 and name HA ) (resid 48 and name HB2 ) 4.0 2.2 2.5  !1.189e+04
!assign (resid 50 and name HA ) (resid 48 and name HB1 ) 4.0 2.2 2.5  !5.612e+03
assign (resid 50 and name HA ) (resid 48 and name HB1 ) 4.0 2.2 3.0
assign (resid 50 and name HB1 ) (resid 48 and name HN ) 4.0 2.2 2.5  !3.403e+04
assign (resid 50 and name HB1 ) (resid 49 and name HN ) 4.0 2.2 2.5  !3.878e+04
assign (resid 50 and name HB1 ) (resid 50 and name HN ) 3.2 1.4 0.8  !2.554e+05
assign (resid 50 and name HB1 ) (resid 51 and name HN ) 4.0 2.2 2.5  !2.504e+04
assign (resid 50 and name HB1 ) (resid 52 and name HN ) 4.0 2.2 2.5  !1.453e+04
assign (resid 50 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 2.5  !5.097e+04
assign (resid 50 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 2.5  !1.361e+04
assign (resid 50 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 2.5  !3.367e+04
assign (resid 50 and name HB2 ) (resid 49 and name HN ) 4.0 2.2 2.5  !2.660e+04
assign (resid 50 and name HB2 ) (resid 50 and name HN ) 3.2 1.4 0.8  !2.152e+05
assign (resid 50 and name HB2 ) (resid 51 and name HN ) 4.0 2.2 2.5  !6.439e+04
assign (resid 50 and name HN ) (resid 51 and name HN ) 4.0 2.2 2.5  !2.905e+04
assign (resid 50 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.5  !5.183e+04
assign (resid 50 and name HN ) (resid 53 and name HN ) 4.0 2.2 2.5  !9.951e+04
assign (resid 51 and name HA ) (resid 51 and name HD21 ) 4.0 2.2 2.5  !1.142e+04
assign (resid 51 and name HA ) (resid 51 and name HD22 ) 4.0 2.2 2.5  !8.992e+03
assign (resid 51 and name HA ) (resid 52 and name HN ) 3.2 1.4 0.8  !1.915e+05
assign (resid 51 and name HA ) (resid 53 and name HN ) 4.0 2.2 2.5  !2.440e+04
assign (resid 51 and name HA ) (resid 54 and name HN ) 4.0 2.2 2.5  !2.869e+04
assign (resid 51 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 2.5  !1.035e+04
assign (resid 51 and name HB1 ) (resid 51 and name HD21 ) 3.2 1.4 0.8  !2.317e+05
assign (resid 51 and name HB1 ) (resid 51 and name HD22 ) 4.0 2.2 2.5  !1.164e+05
assign (resid 51 and name HB1 ) (resid 51 and name HN ) 4.0 2.2 2.5  !4.442e+04
assign (resid 51 and name HB1 ) (resid 52 and name HN ) 4.0 2.2 2.5  !4.037e+04
assign (resid 51 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 2.5  !7.042e+04
assign (resid 51 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 2.5  !8.631e+04
assign (resid 51 and name HB1 ) (resid 55 and name HN ) 4.0 2.2 2.5  !1.700e+04
assign (resid 51 and name HB2 ) (resid 50 and name HN ) 4.0 2.2 2.5  !5.510e+03
assign (resid 51 and name HB2 ) (resid 51 and name HD21 ) 4.0 2.2 2.5  !1.505e+05
assign (resid 51 and name HB2 ) (resid 51 and name HD22 ) 4.0 2.2 2.5  !1.046e+05
assign (resid 51 and name HB2 ) (resid 51 and name HN ) 4.0 2.2 2.5  !7.262e+04
assign (resid 51 and name HB2 ) (resid 52 and name HN ) 4.0 2.2 2.5  !3.759e+04
assign (resid 51 and name HB2 ) (resid 53 and name HN ) 4.0 2.2 2.5  !4.447e+04
assign (resid 51 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 2.5  !5.165e+04
assign (resid 51 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 2.5  !2.949e+04
assign (resid 51 and name HD21 ) (resid 54 and name HN ) 4.0 2.2 2.5  !1.118e+04
assign (resid 51 and name HD22 ) (resid 53 and name HN ) 4.0 2.2 2.5  !5.824e+04
assign (resid 51 and name HD22 ) (resid 54 and name HN ) 4.0 2.2 2.5  !2.449e+04
assign (resid 51 and name HD22 ) (resid 55 and name HN ) 4.0 2.2 2.5  !3.066e+04
assign (resid 51 and name HN ) (resid 50 and name HN ) 4.0 2.2 2.5  !1.164e+04
assign (resid 51 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.5  !3.596e+04
assign (resid 52 and name HA ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !3.085e+04
assign (resid 52 and name HA ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !2.656e+04
assign (resid 52 and name HB2 ) (resid 52 and name HD21 ) 3.2 1.4 0.8  !2.527e+05
assign (resid 52 and name HB2 ) (resid 52 and name HD22 ) 3.2 1.4 0.8  !2.137e+05
assign (resid 52 and name HB2 ) (resid 52 and name HN ) 4.0 2.2 2.5  !1.061e+05
assign (resid 52 and name HB2 ) (resid 53 and name HN ) 4.0 2.2 2.5  !8.531e+04
assign (resid 52 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 2.5  !6.296e+04
assign (resid 52 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 2.5  !5.598e+04
!assign (resid 52 and name HB2 ) (resid 59 and name HN ) 4.0 2.2 2.5  !1.165e+04
assign (resid 52 and name HB1 ) (resid 52 and name HD21 ) 3.2 1.4 0.8  !1.735e+05
assign (resid 52 and name HB1 ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !1.196e+05
assign (resid 52 and name HB1 ) (resid 52 and name HN ) 4.0 2.2 2.5  !1.551e+05
assign (resid 52 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 2.5  !5.862e+04
assign (resid 52 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 2.5  !3.869e+04
assign (resid 52 and name HB1 ) (resid 55 and name HN ) 4.0 2.2 2.5  !3.706e+04
!assign (resid 52 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 2.5  !2.783e+04
assign (resid 52 and name HD21 ) (resid 54 and name HN ) 4.0 2.2 2.5  !1.509e+04
assign (resid 52 and name HD21 ) (resid 55 and name HN ) 4.0 2.2 2.5  !3.440e+04
assign (resid 52 and name HD21 ) (resid 57 and name HN ) 4.0 2.2 2.5  !5.042e+04
assign (resid 52 and name HD21 ) (resid 59 and name HN ) 4.0 2.2 2.5  !3.876e+04
assign (resid 52 and name HD22 ) (resid 55 and name HN ) 4.0 2.2 2.5  !3.285e+04
assign (resid 52 and name HD22 ) (resid 57 and name HN ) 4.0 2.2 2.5  !1.355e+04
assign (resid 52 and name HD22 ) (resid 59 and name HN ) 4.0 2.2 2.5  !6.258e+04
assign (resid 52 and name HN ) (resid 50 and name HN ) 4.0 2.2 2.5  !1.450e+04
assign (resid 52 and name HN ) (resid 51 and name HN ) 4.0 2.2 2.5  !4.744e+04
assign (resid 52 and name HN ) (resid 53 and name HN ) 4.0 2.2 2.5  !1.580e+05
assign (resid 52 and name HN ) (resid 54 and name HN ) 4.0 2.2 2.5  !2.554e+04
assign (resid 52 and name HN ) (resid 55 and name HN ) 4.0 2.2 2.5  !1.022e+04
assign (resid 53 and name HA1 ) (resid 52 and name HN ) 4.0 2.2 2.5  !8.350e+03
assign (resid 53 and name HA1 ) (resid 54 and name HN ) 4.0 2.2 2.5  !8.689e+04
assign (resid 53 and name HA1 ) (resid 55 and name HN ) 4.0 2.2 2.5  !3.999e+04
!assign (resid 53 and name HA1 ) (resid 57 and name HD2 ) 3.2 1.4 0.8  !2.085e+04
assign (resid 53 and name HA1 ) (resid 57 and name HD2 ) 4.0 2.2 2.5
assign (resid 53 and name HA2 ) (resid 52 and name HN ) 4.0 2.2 2.5  !1.201e+04
assign (resid 53 and name HA2 ) (resid 54 and name HN ) 4.0 2.2 2.5  !7.933e+04
assign (resid 53 and name HA2 ) (resid 55 and name HN ) 4.0 2.2 2.5  !2.711e+04
!assign (resid 53 and name HA2 ) (resid 57 and name HD2 ) 3.2 1.4 0.8  !2.028e+04
assign (resid 53 and name HA2 ) (resid 57 and name HD2 ) 4.0 2.2 2.5
assign (resid 53 and name HN ) (resid 50 and name HN ) 4.0 2.2 2.5  !6.187e+04
assign (resid 53 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.5  !1.096e+05
assign (resid 53 and name HN ) (resid 54 and name HN ) 3.2 1.4 0.8  !1.987e+05
assign (resid 53 and name HN ) (resid 55 and name HN ) 4.0 2.2 2.5  !3.356e+04
assign (resid 54 and name HA1 ) (resid 51 and name HD21 ) 4.0 2.2 2.5  !9.375e+03
assign (resid 54 and name HA1 ) (resid 53 and name HN ) 4.0 2.2 2.5  !1.977e+04
assign (resid 54 and name HA1 ) (resid 55 and name HN ) 4.0 2.2 2.5  !8.220e+04
assign (resid 54 and name HA2 ) (resid 51 and name HD21 ) 4.0 2.2 2.5  !1.918e+04
assign (resid 54 and name HA2 ) (resid 51 and name HD22 ) 4.0 2.2 2.5  !6.986e+03
assign (resid 54 and name HA2 ) (resid 53 and name HN ) 4.0 2.2 2.5  !4.228e+04
assign (resid 54 and name HA2 ) (resid 55 and name HN ) 4.0 2.2 2.5  !8.620e+04
assign (resid 54 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.5  !1.204e+04
assign (resid 54 and name HN ) (resid 53 and name HN ) 3.2 1.4 0.8  !2.445e+05
assign (resid 54 and name HN ) (resid 55 and name HN ) 3.2 1.4 0.8  !2.599e+05
assign (resid 55 and name HA ) (resid 54 and name HN ) 4.0 2.2 2.5  !8.692e+03
!assign (resid 55 and name HA ) (resid 56 and name HN ) 2.6 0.8 0.4  !4.285e+05
assign (resid 55 and name HA ) (resid 56 and name HN ) 3.2 1.4 0.8
assign (resid 55 and name HA ) (resid 57 and name HN ) 4.0 2.2 2.5  !7.694e+04
assign (resid 55 and name HA ) (resid 80 and name HB1 ) 4.0 2.2 2.5  !6.448e+03
assign (resid 55 and name HA ) (resid 80 and name HB2 ) 4.0 2.2 2.5  !5.964e+03
assign (resid 55 and name HB1 ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !1.066e+05
assign (resid 55 and name HB1 ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !9.282e+04
assign (resid 55 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 2.5  !2.338e+04
assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.2 1.4 0.8  !1.783e+05
assign (resid 55 and name HB1 ) (resid 56 and name HN ) 4.0 2.2 2.5  !6.886e+04
assign (resid 55 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 2.5  !1.026e+05
assign (resid 55 and name HB2 ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !5.270e+04
assign (resid 55 and name HB2 ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !4.911e+04
assign (resid 55 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 2.5  !2.912e+04
assign (resid 55 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 2.5  !1.177e+05
assign (resid 55 and name HB2 ) (resid 56 and name HN ) 4.0 2.2 2.5  !5.764e+04
assign (resid 55 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 2.5  !5.340e+04
assign (resid 55 and name HB2 ) (resid 59 and name HB1 ) 4.0 2.2 2.5  !8.833e+03
assign (resid 55 and name HB2 ) (resid 59 and name HB2 ) 4.0 2.2 2.5  !4.169e+03
assign (resid 55 and name HB2 ) (resid 68 and name HB1 ) 4.0 2.2 2.5  !7.533e+03
assign (resid 55 and name HN ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !3.282e+04
assign (resid 55 and name HN ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !2.276e+04
assign (resid 55 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.5  !8.631e+03
assign (resid 55 and name HN ) (resid 53 and name HN ) 4.0 2.2 2.5  !4.870e+04
assign (resid 55 and name HN ) (resid 54 and name HN ) 2.6 0.8 0.4  !3.092e+05
assign (resid 55 and name HN ) (resid 56 and name HN ) 4.0 2.2 2.5  !3.637e+04
assign (resid 55 and name HN ) (resid 57 and name HN ) 4.0 2.2 2.5  !6.245e+03
assign (resid 56 and name HA ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !6.432e+03
assign (resid 56 and name HA ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !8.881e+03
assign (resid 56 and name HA ) (resid 53 and name HA1 ) 4.0 2.2 2.5  !1.125e+04
assign (resid 56 and name HA ) (resid 53 and name HA2 ) 4.0 2.2 2.5  !1.946e+03
assign (resid 56 and name HA ) (resid 53 and name HN ) 4.0 2.2 2.5  !1.608e+05
assign (resid 56 and name HA ) (resid 54 and name HN ) 4.0 2.2 2.5  !1.583e+04
assign (resid 56 and name HA ) (resid 55 and name HN ) 4.0 2.2 2.5  !1.429e+04
assign (resid 56 and name HA ) (resid 57 and name HD2 ) 4.0 2.2 2.5  !8.591e+03
assign (resid 56 and name HA ) (resid 57 and name HN ) 4.0 2.2 2.5  !9.502e+04
assign (resid 56 and name HA ) (resid 59 and name HB1 ) 4.0 2.2 2.5  !3.785e+03
!assign (resid 56 and name HA ) (resid 59 and name HB2 ) 4.0 2.2 2.5  !2.159e+03
assign (resid 56 and name HA ) (resid 59 and name HB2 ) 4.0 2.2 3.0
assign (resid 56 and name HB1 ) (resid 56 and name HN ) 4.0 2.2 2.5  !1.430e+04
assign (resid 56 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 2.5  !1.387e+04
assign (resid 56 and name HB2 ) (resid 56 and name HN ) 4.0 2.2 2.5  !3.571e+04
assign (resid 56 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 2.5  !3.881e+04
assign (resid 56 and name HB2 ) (resid 69 and name HN ) 4.0 2.2 2.5  !2.463e+04
assign (resid 56 and name HN ) (resid 55 and name HN ) 4.0 2.2 2.5  !2.226e+04
assign (resid 56 and name HN ) (resid 57 and name HN ) 4.0 2.2 2.5  !1.602e+05
assign (resid 56 and name HN ) (resid 82 and name HN ) 4.0 2.2 2.5  !4.302e+04
assign (resid 57 and name HA ) (resid 57 and name HD2 ) 3.2 1.4 0.8  !1.724e+04
assign (resid 57 and name HA ) (resid 58 and name HN ) 4.0 2.2 2.5  !1.002e+05
!assign (resid 57 and name HB1 ) (resid 57 and name HD2 ) 2.6 0.8 0.4  !3.146e+04
assign (resid 57 and name HB1 ) (resid 57 and name HD2 ) 3.2 1.4 0.8
assign (resid 57 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 2.5  !1.589e+05
assign (resid 57 and name HB1 ) (resid 58 and name HN ) 2.6 0.8 0.4  !3.318e+05
assign (resid 57 and name HB2 ) (resid 57 and name HD2 ) 3.2 1.4 0.8  !2.241e+04
assign (resid 57 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 2.5  !1.164e+05
assign (resid 57 and name HB2 ) (resid 58 and name HN ) 2.6 0.8 0.4  !3.390e+05
assign (resid 57 and name HD2 ) (resid 57 and name HN ) 4.0 2.2 2.5  !1.779e+04
assign (resid 57 and name HD2 ) (resid 58 and name HN ) 4.0 2.2 2.5  !5.718e+04
assign (resid 57 and name HE1 ) (resid 82 and name HN ) 4.0 2.2 2.5  !3.175e+04
assign (resid 57 and name HN ) (resid 55 and name HN ) 4.0 2.2 2.5  !1.034e+04
assign (resid 57 and name HN ) (resid 56 and name HN ) 4.0 2.2 2.5  !6.771e+04
assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 2.5  !8.095e+04
assign (resid 58 and name HA ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !4.001e+04
assign (resid 58 and name HA ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !5.310e+04
assign (resid 58 and name HA ) (resid 59 and name HN ) 2.6 0.8 0.4  !9.766e+05
assign (resid 58 and name HA ) (resid 69 and name HN ) 4.0 2.2 2.5  !8.338e+03
assign (resid 58 and name HB ) (resid 57 and name HN ) 4.0 2.2 2.5  !6.049e+04
assign (resid 58 and name HB ) (resid 58 and name HN ) 3.2 1.4 0.8  !2.966e+05
assign (resid 58 and name HB ) (resid 59 and name HN ) 4.0 2.2 2.5  !5.836e+04
assign (resid 58 and name HB ) (resid 69 and name HN ) 4.0 2.2 2.5  !1.334e+05
assign (resid 58 and name HB ) (resid 70 and name HN ) 4.0 2.2 2.5  !4.262e+04
assign (resid 58 and name HN ) (resid 57 and name HN ) 4.0 2.2 2.5  !6.054e+04
assign (resid 58 and name HN ) (resid 59 and name HN ) 4.0 2.2 2.5  !2.648e+04
assign (resid 58 and name HN ) (resid 69 and name HN ) 4.0 2.2 2.5  !4.657e+04
assign (resid 59 and name HA ) (resid 57 and name HN ) 4.0 2.2 2.5  !3.937e+04
assign (resid 59 and name HA ) (resid 60 and name HN ) 2.6 0.8 0.4  !6.559e+05
assign (resid 59 and name HA ) (resid 67 and name HN ) 4.0 2.2 2.5  !2.684e+04
assign (resid 59 and name HA ) (resid 68 and name HA ) 4.0 2.2 2.5  !1.265e+04
assign (resid 59 and name HA ) (resid 69 and name HN ) 4.0 2.2 2.5  !9.974e+04
assign (resid 59 and name HB1 ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !1.545e+04
assign (resid 59 and name HB1 ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !2.391e+04
assign (resid 59 and name HB1 ) (resid 59 and name HN ) 3.2 1.4 0.8  !2.683e+05
assign (resid 59 and name HB1 ) (resid 60 and name HN ) 4.0 2.2 2.5  !7.049e+04
assign (resid 59 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 2.5  !3.751e+04
assign (resid 59 and name HB2 ) (resid 49 and name HN ) 4.0 2.2 2.5  !2.685e+04
assign (resid 59 and name HB2 ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !3.094e+04
assign (resid 59 and name HB2 ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !3.251e+04
assign (resid 59 and name HB2 ) (resid 59 and name HN ) 3.2 1.4 0.8  !2.346e+05
assign (resid 59 and name HB2 ) (resid 60 and name HN ) 4.0 2.2 2.5  !1.495e+05
assign (resid 59 and name HN ) (resid 52 and name HD21 ) 4.0 2.2 2.5  !4.073e+04
assign (resid 59 and name HN ) (resid 52 and name HD22 ) 4.0 2.2 2.5  !4.871e+04
assign (resid 59 and name HN ) (resid 58 and name HN ) 4.0 2.2 2.5  !4.191e+04
assign (resid 59 and name HN ) (resid 60 and name HN ) 4.0 2.2 2.5  !3.940e+04
assign (resid 60 and name HA ) (resid 59 and name HN ) 4.0 2.2 2.5  !1.448e+04
assign (resid 60 and name HA ) (resid 60 and name HD21 ) 4.0 2.2 2.5  !3.654e+04
assign (resid 60 and name HA ) (resid 60 and name HD22 ) 4.0 2.2 2.5  !1.859e+04
assign (resid 60 and name HA ) (resid 61 and name HB2 ) 4.0 2.2 2.5  !1.696e+04
assign (resid 60 and name HA ) (resid 61 and name HB1 ) 4.0 2.2 2.5  !1.224e+04
assign (resid 60 and name HA ) (resid 61 and name HN ) 2.6 0.8 0.4  !5.720e+05
assign (resid 60 and name HB2 ) (resid 60 and name HD21 ) 3.2 1.4 0.8  !1.889e+05
assign (resid 60 and name HB2 ) (resid 60 and name HD22 ) 4.0 2.2 2.5  !1.385e+05
assign (resid 60 and name HB2 ) (resid 60 and name HN ) 3.2 1.4 0.8  !2.288e+05
assign (resid 60 and name HB2 ) (resid 61 and name HN ) 4.0 2.2 2.5  !1.622e+05
assign (resid 60 and name HB2 ) (resid 67 and name HN ) 4.0 2.2 2.5  !4.805e+04
assign (resid 60 and name HB1 ) (resid 60 and name HD21 ) 3.2 1.4 0.8  !2.559e+05
assign (resid 60 and name HB1 ) (resid 60 and name HD22 ) 3.2 1.4 0.8  !1.967e+05
assign (resid 60 and name HB1 ) (resid 60 and name HN ) 3.2 1.4 0.8  !2.290e+05
assign (resid 60 and name HB1 ) (resid 61 and name HN ) 4.0 2.2 2.5  !5.659e+04
assign (resid 60 and name HB1 ) (resid 67 and name HG1 ) 4.0 2.2 2.5  !1.162e+04
assign (resid 60 and name HB1 ) (resid 67 and name HG2 ) 4.0 2.2 2.5  !4.865e+03
assign (resid 60 and name HB1 ) (resid 67 and name HN ) 4.0 2.2 2.5  !6.167e+04
assign (resid 60 and name HD21 ) (resid 60 and name HN ) 4.0 2.2 2.5  !3.121e+04
assign (resid 60 and name HD21 ) (resid 67 and name HN ) 4.0 2.2 2.5  !2.049e+04
assign (resid 60 and name HD22 ) (resid 60 and name HN ) 4.0 2.2 2.5  !6.938e+04
assign (resid 60 and name HN ) (resid 59 and name HN ) 4.0 2.2 2.5  !4.248e+04
assign (resid 60 and name HN ) (resid 60 and name HD21 ) 4.0 2.2 2.5  !1.519e+04
assign (resid 60 and name HN ) (resid 60 and name HD22 ) 4.0 2.2 2.5  !9.712e+03
assign (resid 60 and name HN ) (resid 61 and name HN ) 4.0 2.2 2.5  !2.843e+04
assign (resid 60 and name HN ) (resid 67 and name HN ) 4.0 2.2 2.5  !8.580e+04
assign (resid 60 and name HN ) (resid 69 and name HN ) 4.0 2.2 2.5  !3.147e+04
assign (resid 61 and name HA ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !3.981e+03
assign (resid 61 and name HA ) (resid 47 and name HN ) 4.0 2.2 2.5  !7.634e+03
assign (resid 61 and name HA ) (resid 48 and name HN ) 4.0 2.2 2.5  !5.940e+03
assign (resid 61 and name HA ) (resid 60 and name HN ) 4.0 2.2 2.5  !1.502e+04
assign (resid 61 and name HA ) (resid 62 and name HN ) 2.6 0.8 0.4  !5.115e+05
assign (resid 61 and name HA ) (resid 66 and name HB2 ) 4.0 2.2 2.5  !6.512e+03
assign (resid 61 and name HA ) (resid 66 and name HB1 ) 4.0 2.2 2.5  !7.390e+03
assign (resid 61 and name HA ) (resid 67 and name HN ) 4.0 2.2 2.5  !8.654e+04
assign (resid 61 and name HB2 ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !1.671e+04
assign (resid 61 and name HB2 ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !3.386e+04
assign (resid 61 and name HB2 ) (resid 61 and name HN ) 3.2 1.4 0.8  !2.050e+05
assign (resid 61 and name HB2 ) (resid 62 and name HN ) 4.0 2.2 2.5  !8.870e+04
assign (resid 61 and name HB1 ) (resid 46 and name HD21 ) 4.0 2.2 2.5  !1.780e+04
assign (resid 61 and name HB1 ) (resid 46 and name HD22 ) 4.0 2.2 2.5  !2.123e+04
assign (resid 61 and name HB1 ) (resid 61 and name HN ) 3.2 1.4 0.8  !2.550e+05
assign (resid 61 and name HB1 ) (resid 62 and name HN ) 4.0 2.2 2.5  !8.815e+04
assign (resid 61 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 2.5  !6.809e+03
assign (resid 61 and name HB1 ) (resid 67 and name HN ) 4.0 2.2 2.5  !7.833e+03
assign (resid 61 and name HN ) (resid 60 and name HN ) 4.0 2.2 2.5  !3.651e+04
assign (resid 61 and name HN ) (resid 62 and name HN ) 4.0 2.2 2.5  !2.717e+04
!assign (resid 62 and name HA ) (resid 62 and name HG ) 2.6 0.8 0.4  !4.734e+04
assign (resid 62 and name HA ) (resid 62 and name HG ) 3.2 1.4 0.8
assign (resid 62 and name HA ) (resid 63 and name HN ) 2.6 0.8 0.4  !1.254e+06
assign (resid 62 and name HB1 ) (resid 62 and name HN ) 3.2 1.4 0.8  !1.892e+05
assign (resid 62 and name HB1 ) (resid 64 and name HN ) 3.2 1.4 0.8  !2.318e+05
assign (resid 62 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 2.5  !4.762e+04
assign (resid 62 and name HB1 ) (resid 67 and name HN ) 4.0 2.2 2.5  !7.282e+04
assign (resid 62 and name HB2 ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.695e+05
assign (resid 62 and name HB2 ) (resid 63 and name HN ) 4.0 2.2 2.5  !1.163e+05
assign (resid 62 and name HB2 ) (resid 64 and name HN ) 4.0 2.2 2.5  !1.574e+05
assign (resid 62 and name HB2 ) (resid 66 and name HN ) 4.0 2.2 2.5  !4.365e+04
assign (resid 62 and name HB2 ) (resid 67 and name HN ) 4.0 2.2 2.5  !3.684e+04
assign (resid 62 and name HG ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.321e+05
assign (resid 62 and name HG ) (resid 63 and name HN ) 4.0 2.2 2.5  !1.364e+05
!assign (resid 62 and name HG ) (resid 64 and name HN ) 3.2 1.4 0.8  !1.987e+05
assign (resid 62 and name HG ) (resid 64 and name HN ) 4.0 2.2 2.5
assign (resid 62 and name HG ) (resid 66 and name HN ) 4.0 2.2 2.5  !3.298e+04
assign (resid 62 and name HG ) (resid 67 and name HN ) 4.0 2.2 2.5  !2.579e+04
assign (resid 62 and name HN ) (resid 61 and name HN ) 4.0 2.2 2.5  !2.938e+04
assign (resid 62 and name HN ) (resid 63 and name HN ) 4.0 2.2 2.5  !1.506e+04
assign (resid 62 and name HN ) (resid 64 and name HN ) 4.0 2.2 2.5  !1.112e+04
assign (resid 62 and name HN ) (resid 66 and name HN ) 4.0 2.2 2.5  !3.089e+04
assign (resid 62 and name HN ) (resid 67 and name HN ) 4.0 2.2 2.5  !6.070e+04
assign (resid 63 and name HA ) (resid 64 and name HN ) 4.0 2.2 2.5  !1.304e+05
assign (resid 63 and name HA ) (resid 65 and name HN ) 4.0 2.2 2.5  !2.855e+04
assign (resid 63 and name HB1 ) (resid 63 and name HN ) 3.2 1.4 0.8  !1.800e+05
assign (resid 63 and name HB2 ) (resid 63 and name HN ) 3.2 1.4 0.8  !2.554e+05
assign (resid 63 and name HN ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.865e+04
assign (resid 63 and name HN ) (resid 64 and name HN ) 4.0 2.2 2.5  !1.317e+05
assign (resid 64 and name HA ) (resid 63 and name HA ) 4.0 2.2 2.5  !1.189e+04
assign (resid 64 and name HA ) (resid 65 and name HN ) 2.6 0.8 0.4  !3.551e+05
assign (resid 64 and name HA ) (resid 66 and name HN ) 4.0 2.2 2.5  !3.127e+04
assign (resid 64 and name HB ) (resid 64 and name HN ) 2.6 0.8 0.4  !5.875e+05
assign (resid 64 and name HB ) (resid 65 and name HN ) 4.0 2.2 2.5  !3.956e+04
assign (resid 64 and name HN ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.309e+04
assign (resid 64 and name HN ) (resid 63 and name HN ) 4.0 2.2 2.5  !1.037e+05
assign (resid 64 and name HN ) (resid 65 and name HN ) 4.0 2.2 2.5  !3.196e+04
assign (resid 65 and name HA1 ) (resid 66 and name HN ) 2.6 0.8 0.4  !6.898e+05
assign (resid 65 and name HA2 ) (resid 66 and name HN ) 2.6 0.8 0.4  !3.609e+05
assign (resid 65 and name HN ) (resid 64 and name HN ) 4.0 2.2 2.5  !1.878e+04
assign (resid 65 and name HN ) (resid 66 and name HN ) 4.0 2.2 2.5  !7.544e+04
assign (resid 66 and name HA ) (resid 60 and name HN ) 4.0 2.2 2.5  !2.517e+04
assign (resid 66 and name HA ) (resid 61 and name HN ) 4.0 2.2 2.5  !1.420e+04
assign (resid 66 and name HA ) (resid 62 and name HN ) 3.2 1.4 0.8  !2.938e+05
assign (resid 66 and name HA ) (resid 67 and name HN ) 3.2 1.4 0.8  !2.403e+05
assign (resid 66 and name HB2 ) (resid 47 and name HB1 ) 4.0 2.2 2.5  !7.313e+03
assign (resid 66 and name HB2 ) (resid 47 and name HB2 ) 4.0 2.2 2.5  !5.459e+03
assign (resid 66 and name HB2 ) (resid 47 and name HN ) 4.0 2.2 2.5  !1.871e+04
assign (resid 66 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 2.5  !1.538e+04
assign (resid 66 and name HB2 ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.455e+05
assign (resid 66 and name HB2 ) (resid 66 and name HN ) 4.0 2.2 2.5  !1.280e+05
assign (resid 66 and name HB2 ) (resid 67 and name HN ) 4.0 2.2 2.5  !1.546e+05
assign (resid 66 and name HB1 ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.487e+05
assign (resid 66 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 2.5  !6.903e+04
assign (resid 66 and name HB1 ) (resid 67 and name HN ) 4.0 2.2 2.5  !1.675e+05
assign (resid 66 and name HN ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.302e+04
assign (resid 66 and name HN ) (resid 65 and name HN ) 4.0 2.2 2.5  !4.872e+04
assign (resid 66 and name HN ) (resid 67 and name HN ) 4.0 2.2 2.5  !2.433e+04
assign (resid 67 and name HA ) (resid 67 and name HG1 ) 4.0 2.2 2.5  !9.318e+03
assign (resid 67 and name HA ) (resid 67 and name HG2 ) 4.0 2.2 2.5  !8.556e+03
assign (resid 67 and name HA ) (resid 68 and name HA ) 4.0 2.2 2.5  !1.152e+03
assign (resid 67 and name HA ) (resid 68 and name HN ) 2.6 0.8 0.4  !8.361e+05
assign (resid 67 and name HB1 ) (resid 60 and name HN ) 4.0 2.2 2.5  !1.844e+04
assign (resid 67 and name HB1 ) (resid 60 and name HN ) 4.0 2.2 2.5  !2.188e+04
assign (resid 67 and name HB1 ) (resid 67 and name HN ) 4.0 2.2 2.5  !7.227e+04
assign (resid 67 and name HB1 ) (resid 68 and name HN ) 2.6 0.8 0.4  !3.078e+05
assign (resid 67 and name HB2 ) (resid 60 and name HN ) 4.0 2.2 2.5  !2.677e+04
assign (resid 67 and name HB2 ) (resid 60 and name HN ) 4.0 2.2 2.5  !6.483e+03
assign (resid 67 and name HB2 ) (resid 67 and name HN ) 4.0 2.2 2.5  !8.288e+04
assign (resid 67 and name HB2 ) (resid 68 and name HN ) 3.2 1.4 0.8  !2.638e+05
assign (resid 67 and name HG1 ) (resid 60 and name HD21 ) 4.0 2.2 2.5  !9.227e+04
assign (resid 67 and name HG1 ) (resid 60 and name HD22 ) 4.0 2.2 2.5  !6.777e+04
assign (resid 67 and name HG1 ) (resid 60 and name HN ) 4.0 2.2 2.5  !6.657e+04
assign (resid 67 and name HG1 ) (resid 62 and name HN ) 4.0 2.2 2.5  !1.250e+04
assign (resid 67 and name HG1 ) (resid 67 and name HN ) 3.2 1.4 0.8  !1.732e+05
assign (resid 67 and name HG1 ) (resid 68 and name HN ) 4.0 2.2 2.5  !4.806e+04
assign (resid 67 and name HG2 ) (resid 60 and name HD21 ) 4.0 2.2 2.5  !9.746e+04
assign (resid 67 and name HG2 ) (resid 60 and name HD22 ) 4.0 2.2 2.5  !7.046e+04
assign (resid 67 and name HG2 ) (resid 60 and name HN ) 4.0 2.2 2.5  !6.811e+04
assign (resid 67 and name HG2 ) (resid 62 and name HN ) 4.0 2.2 2.5  !7.066e+03
assign (resid 67 and name HG2 ) (resid 67 and name HN ) 4.0 2.2 2.5  !1.460e+05
assign (resid 67 and name HG2 ) (resid 68 and name HN ) 4.0 2.2 2.5  !9.185e+04
assign (resid 67 and name HN ) (resid 60 and name HD21 ) 4.0 2.2 2.5  !9.340e+03
assign (resid 67 and name HN ) (resid 60 and name HN ) 4.0 2.2 2.5  !9.822e+04
assign (resid 67 and name HN ) (resid 62 and name HN ) 4.0 2.2 2.5  !7.553e+04
assign (resid 67 and name HN ) (resid 66 and name HN ) 4.0 2.2 2.5  !3.988e+04
assign (resid 67 and name HN ) (resid 68 and name HN ) 4.0 2.2 2.5  !8.610e+04
assign (resid 68 and name HA ) (resid 55 and name HB1 ) 4.0 2.2 2.5  !6.283e+03
assign (resid 68 and name HA ) (resid 55 and name HB2 ) 4.0 2.2 2.5  !2.578e+03
assign (resid 68 and name HA ) (resid 58 and name HN ) 4.0 2.2 2.5  !6.682e+03
assign (resid 68 and name HA ) (resid 59 and name HB1 ) 4.0 2.2 2.5  !1.589e+03
assign (resid 68 and name HA ) (resid 59 and name HB2 ) 4.0 2.2 2.5  !1.950e+03
assign (resid 68 and name HA ) (resid 59 and name HN ) 4.0 2.2 2.5  !1.098e+04
assign (resid 68 and name HA ) (resid 60 and name HN ) 4.0 2.2 2.5  !1.175e+05
assign (resid 68 and name HA ) (resid 69 and name HB2 ) 4.0 2.2 2.5  !4.003e+03
assign (resid 68 and name HA ) (resid 69 and name HN ) 2.6 0.8 0.4  !5.364e+05
assign (resid 68 and name HB1 ) (resid 56 and name HN ) 4.0 2.2 2.5  !3.840e+04
assign (resid 68 and name HB1 ) (resid 68 and name HN ) 3.2 1.4 0.8  !2.801e+05
assign (resid 68 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 2.5  !1.354e+05
assign (resid 68 and name HB2 ) (resid 68 and name HN ) 3.2 1.4 0.8  !1.741e+05
assign (resid 68 and name HB2 ) (resid 69 and name HN ) 4.0 2.2 2.5  !1.061e+05
assign (resid 68 and name HN ) (resid 67 and name HN ) 4.0 2.2 2.5  !2.284e+04
assign (resid 69 and name HA ) (resid 68 and name HA ) 4.0 2.2 2.5  !7.280e+02
assign (resid 69 and name HA ) (resid 69 and name HG ) 4.0 2.2 2.5  !9.045e+03
assign (resid 69 and name HA ) (resid 70 and name HN ) 2.6 0.8 0.4  !7.595e+05
assign (resid 69 and name HB1 ) (resid 58 and name HN ) 4.0 2.2 2.5  !4.150e+04
assign (resid 69 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 2.5  !6.368e+03
assign (resid 69 and name HB1 ) (resid 60 and name HD21 ) 4.0 2.2 2.5  !2.148e+04
assign (resid 69 and name HB1 ) (resid 60 and name HD22 ) 4.0 2.2 2.5  !2.104e+04
assign (resid 69 and name HB1 ) (resid 60 and name HN ) 4.0 2.2 2.5  !9.002e+03
assign (resid 69 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 2.5  !1.203e+05
assign (resid 69 and name HB1 ) (resid 70 and name HN ) 2.6 0.8 0.4  !3.016e+05
assign (resid 69 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 2.5  !9.249e+04
assign (resid 69 and name HB2 ) (resid 59 and name HN ) 4.0 2.2 2.5  !1.240e+04
assign (resid 69 and name HB2 ) (resid 60 and name HD21 ) 4.0 2.2 2.5  !1.328e+04
assign (resid 69 and name HB2 ) (resid 60 and name HD22 ) 4.0 2.2 2.5  !1.245e+04
assign (resid 69 and name HB2 ) (resid 60 and name HN ) 4.0 2.2 2.5  !3.936e+04
assign (resid 69 and name HB2 ) (resid 69 and name HN ) 3.2 1.4 0.8  !1.995e+05
assign (resid 69 and name HB2 ) (resid 70 and name HN ) 3.2 1.4 0.8  !2.891e+05
assign (resid 69 and name HG ) (resid 68 and name HN ) 4.0 2.2 2.5  !1.512e+04
assign (resid 69 and name HG ) (resid 69 and name HN ) 4.0 2.2 2.5  !1.335e+05
assign (resid 69 and name HN ) (resid 58 and name HN ) 4.0 2.2 2.5  !4.196e+04
assign (resid 69 and name HN ) (resid 60 and name HN ) 4.0 2.2 2.5  !4.023e+04
assign (resid 69 and name HN ) (resid 70 and name HN ) 4.0 2.2 2.5  !4.268e+04
assign (resid 70 and name HA ) (resid 57 and name HB1 ) 4.0 2.2 2.5  !1.126e+04
assign (resid 70 and name HA ) (resid 57 and name HB2 ) 4.0 2.2 2.5  !6.683e+03
assign (resid 70 and name HA ) (resid 58 and name HN ) 4.0 2.2 2.5  !3.836e+04
assign (resid 70 and name HA ) (resid 71 and name HD1 ) 2.6 0.8 0.4  !4.108e+04
assign (resid 70 and name HA ) (resid 71 and name HD2 ) 3.2 1.4 0.8  !2.915e+04
assign (resid 70 and name HA ) (resid 71 and name HG1 ) 4.0 2.2 2.5  !6.276e+03
assign (resid 70 and name HA ) (resid 71 and name HG2 ) 4.0 2.2 2.5  !5.979e+03
assign (resid 70 and name HA ) (resid 74 and name HB1 ) 4.0 2.2 2.5  !8.149e+03
assign (resid 70 and name HB2 ) (resid 69 and name HN ) 4.0 2.2 2.5  !3.033e+04
assign (resid 70 and name HB2 ) (resid 70 and name HN ) 3.2 1.4 0.8  !2.414e+05
assign (resid 70 and name HB2 ) (resid 74 and name HN ) 4.0 2.2 2.5  !6.208e+04
assign (resid 70 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 2.5  !2.015e+04
assign (resid 70 and name HB1 ) (resid 70 and name HN ) 4.0 2.2 2.5  !6.331e+04
assign (resid 70 and name HN ) (resid 69 and name HN ) 4.0 2.2 2.5  !1.043e+05
assign (resid 71 and name HA ) (resid 71 and name HG1 ) 4.0 2.2 2.5  !9.022e+03
assign (resid 71 and name HA ) (resid 71 and name HG2 ) 4.0 2.2 2.5  !1.068e+04
assign (resid 71 and name HA ) (resid 72 and name HN ) 2.6 0.8 0.4  !6.865e+05
assign (resid 71 and name HB1 ) (resid 72 and name HN ) 3.2 1.4 0.8  !2.368e+05
assign (resid 71 and name HB1 ) (resid 74 and name HN ) 4.0 2.2 2.5  !1.085e+04
assign (resid 71 and name HB2 ) (resid 72 and name HN ) 3.2 1.4 0.8  !2.005e+05
assign (resid 71 and name HB2 ) (resid 74 and name HN ) 4.0 2.2 2.5  !1.994e+04
assign (resid 71 and name HD1 ) (resid 70 and name HB1 ) 4.0 2.2 2.5  !5.083e+03
assign (resid 71 and name HD1 ) (resid 70 and name HN ) 4.0 2.2 2.5  !4.457e+04
assign (resid 71 and name HD2 ) (resid 58 and name HN ) 4.0 2.2 2.5  !2.210e+04
assign (resid 71 and name HD2 ) (resid 70 and name HN ) 4.0 2.2 2.5  !6.194e+04
assign (resid 71 and name HD2 ) (resid 71 and name HB2 ) 4.0 2.2 2.5  !4.180e+03
assign (resid 71 and name HG1 ) (resid 72 and name HN ) 4.0 2.2 2.5  !4.903e+04
assign (resid 71 and name HG2 ) (resid 72 and name HN ) 4.0 2.2 2.5  !3.942e+04
assign (resid 72 and name HA ) (resid 73 and name HA1 ) 4.0 2.2 2.5  !6.590e+02
assign (resid 72 and name HA ) (resid 73 and name HA2 ) 4.0 2.2 2.5  !4.653e+03
assign (resid 72 and name HA ) (resid 73 and name HN ) 2.6 0.8 0.4  !6.531e+05
assign (resid 72 and name HA ) (resid 74 and name HN ) 4.0 2.2 2.5  !1.427e+05
assign (resid 72 and name HN ) (resid 73 and name HN ) 4.0 2.2 2.5  !4.852e+04
assign (resid 72 and name HN ) (resid 74 and name HN ) 4.0 2.2 2.5  !9.194e+03
assign (resid 73 and name HA1 ) (resid 74 and name HN ) 4.0 2.2 2.5  !1.536e+05
assign (resid 73 and name HA2 ) (resid 74 and name HN ) 4.0 2.2 2.5  !1.326e+05
assign (resid 73 and name HN ) (resid 72 and name HN ) 4.0 2.2 2.5  !3.311e+04
assign (resid 73 and name HN ) (resid 74 and name HN ) 3.2 1.4 0.8  !2.196e+05
assign (resid 74 and name HB1 ) (resid 70 and name HN ) 4.0 2.2 2.5  !2.365e+04
assign (resid 74 and name HB1 ) (resid 74 and name HN ) 3.2 1.4 0.8  !2.616e+05
assign (resid 74 and name HB1 ) (resid 75 and name HN ) 4.0 2.2 2.5  !1.102e+05
assign (resid 74 and name HB1 ) (resid 82 and name HB1 ) 4.0 2.2 2.5  !8.979e+03
assign (resid 74 and name HB1 ) (resid 82 and name HB2 ) 4.0 2.2 2.5  !6.041e+03
assign (resid 74 and name HB1 ) (resid 83 and name HN ) 4.0 2.2 2.5  !3.225e+04
assign (resid 74 and name HB2 ) (resid 70 and name HN ) 4.0 2.2 2.5  !6.927e+04
assign (resid 74 and name HB2 ) (resid 74 and name HN ) 2.6 0.8 0.4  !3.256e+05
assign (resid 74 and name HB2 ) (resid 75 and name HN ) 3.2 1.4 0.8  !1.970e+05
assign (resid 74 and name HB2 ) (resid 82 and name HB1 ) 4.0 2.2 2.5  !1.097e+04
assign (resid 74 and name HB2 ) (resid 82 and name HB2 ) 4.0 2.2 2.5  !1.552e+04
assign (resid 74 and name HB2 ) (resid 83 and name HN ) 4.0 2.2 2.5  !7.719e+04
assign (resid 74 and name HN ) (resid 72 and name HN ) 4.0 2.2 2.5  !6.647e+03
assign (resid 74 and name HN ) (resid 73 and name HN ) 3.2 1.4 0.8  !2.038e+05
assign (resid 74 and name HN ) (resid 75 and name HN ) 4.0 2.2 2.5  !3.953e+04
assign (resid 75 and name HA ) (resid 70 and name HB2 ) 4.0 2.2 2.5  !1.539e+04
assign (resid 75 and name HA ) (resid 70 and name HB1 ) 4.0 2.2 2.5  !9.940e+03
assign (resid 75 and name HA ) (resid 74 and name HN ) 4.0 2.2 2.5  !2.697e+04
assign (resid 75 and name HB1 ) (resid 75 and name HN ) 4.0 2.2 2.5  !1.204e+05
assign (resid 75 and name HB1 ) (resid 76 and name HN ) 3.2 1.4 0.8  !2.006e+05
assign (resid 75 and name HB1 ) (resid 83 and name HN ) 4.0 2.2 2.5  !3.419e+04
assign (resid 75 and name HB2 ) (resid 75 and name HN ) 3.2 1.4 0.8  !2.066e+05
assign (resid 75 and name HB2 ) (resid 76 and name HN ) 4.0 2.2 2.5  !1.535e+05
assign (resid 75 and name HB2 ) (resid 83 and name HN ) 4.0 2.2 2.5  !3.971e+04
assign (resid 75 and name HN ) (resid 74 and name HN ) 4.0 2.2 2.5  !7.268e+04
assign (resid 75 and name HN ) (resid 76 and name HN ) 4.0 2.2 2.5  !3.642e+04
assign (resid 76 and name HA ) (resid 70 and name HB2 ) 4.0 2.2 2.5  !1.409e+04
assign (resid 76 and name HA ) (resid 70 and name HB1 ) 4.0 2.2 2.5  !6.653e+03
assign (resid 76 and name HA ) (resid 76 and name HG ) 3.2 1.4 0.8  !2.596e+04
assign (resid 76 and name HA ) (resid 77 and name HN ) 2.6 0.8 0.4  !3.465e+05
assign (resid 76 and name HA ) (resid 81 and name HN ) 4.0 2.2 2.5  !3.738e+04
assign (resid 76 and name HA ) (resid 82 and name HA ) 4.0 2.2 2.5  !2.616e+03
assign (resid 76 and name HA ) (resid 82 and name HB1 ) 4.0 2.2 2.5  !5.054e+03
assign (resid 76 and name HA ) (resid 82 and name HB2 ) 4.0 2.2 2.5  !5.760e+03
assign (resid 76 and name HA ) (resid 83 and name HN ) 4.0 2.2 2.5  !1.439e+05
assign (resid 76 and name HB1 ) (resid 76 and name HN ) 2.6 0.8 0.4  !5.008e+05
assign (resid 76 and name HB1 ) (resid 77 and name HN ) 4.0 2.2 2.5  !3.406e+04
assign (resid 76 and name HB2 ) (resid 76 and name HN ) 2.6 0.8 0.4  !4.461e+05
assign (resid 76 and name HB2 ) (resid 77 and name HN ) 4.0 2.2 2.5  !4.042e+04
assign (resid 76 and name HB2 ) (resid 80 and name HN ) 4.0 2.2 2.5  !9.032e+03
assign (resid 76 and name HB2 ) (resid 81 and name HN ) 4.0 2.2 2.5  !2.189e+04
assign (resid 76 and name HG ) (resid 76 and name HN ) 4.0 2.2 2.5  !1.571e+05
assign (resid 76 and name HG ) (resid 77 and name HN ) 4.0 2.2 2.5  !4.880e+04
assign (resid 76 and name HG ) (resid 79 and name HN ) 4.0 2.2 2.5  !8.390e+04
assign (resid 76 and name HG ) (resid 80 and name HN ) 4.0 2.2 2.5  !5.350e+04
assign (resid 76 and name HG ) (resid 81 and name HN ) 4.0 2.2 2.5  !4.339e+04
assign (resid 76 and name HN ) (resid 75 and name HN ) 4.0 2.2 2.5  !5.242e+04
assign (resid 76 and name HN ) (resid 77 and name HN ) 4.0 2.2 2.5  !4.432e+03
assign (resid 77 and name HA ) (resid 78 and name HN ) 2.6 0.8 0.4  !5.591e+05
assign (resid 77 and name HA ) (resid 79 and name HN ) 4.0 2.2 2.5  !5.787e+04
assign (resid 77 and name HA ) (resid 80 and name HN ) 4.0 2.2 2.5  !7.759e+03
assign (resid 77 and name HA ) (resid 81 and name HN ) 4.0 2.2 2.5  !5.286e+04
assign (resid 77 and name HB ) (resid 77 and name HN ) 4.0 2.2 2.5  !1.512e+05
assign (resid 77 and name HB ) (resid 78 and name HN ) 4.0 2.2 2.5  !5.244e+04
assign (resid 77 and name HB ) (resid 80 and name HN ) 4.0 2.2 2.5  !9.668e+03
assign (resid 77 and name HB ) (resid 81 and name HN ) 4.0 2.2 2.5  !4.835e+04
assign (resid 77 and name HB ) (resid 83 and name HN ) 4.0 2.2 2.5  !1.982e+04
assign (resid 77 and name HN ) (resid 76 and name HN ) 4.0 2.2 2.5  !2.607e+04
assign (resid 77 and name HN ) (resid 80 and name HN ) 4.0 2.2 2.5  !2.713e+04
assign (resid 77 and name HN ) (resid 81 and name HN ) 4.0 2.2 2.5  !5.225e+04
assign (resid 77 and name HN ) (resid 83 and name HN ) 4.0 2.2 2.5  !3.958e+04
assign (resid 78 and name HA ) (resid 79 and name HN ) 3.2 1.4 0.8  !1.762e+05
assign (resid 78 and name HA ) (resid 80 and name HN ) 4.0 2.2 2.5  !2.203e+04
assign (resid 78 and name HA ) (resid 81 and name HN ) 4.0 2.2 2.5  !2.592e+04
assign (resid 78 and name HN ) (resid 77 and name HN ) 4.0 2.2 2.5  !1.805e+04
assign (resid 78 and name HN ) (resid 79 and name HN ) 4.0 2.2 2.5  !1.033e+05
assign (resid 79 and name HA ) (resid 76 and name HG ) 3.2 1.4 0.8  !2.647e+04
assign (resid 79 and name HA ) (resid 78 and name HN ) 4.0 2.2 2.5  !2.470e+04
assign (resid 79 and name HA ) (resid 80 and name HN ) 4.0 2.2 2.5  !1.120e+05
assign (resid 79 and name HA ) (resid 81 and name HN ) 4.0 2.2 2.5  !2.038e+04
assign (resid 79 and name HB1 ) (resid 79 and name HN ) 4.0 2.2 2.5  !7.083e+04
assign (resid 79 and name HB1 ) (resid 80 and name HN ) 4.0 2.2 2.5  !3.590e+04
assign (resid 79 and name HB1 ) (resid 81 and name HN ) 4.0 2.2 2.5  !3.605e+04
assign (resid 79 and name HB2 ) (resid 79 and name HN ) 4.0 2.2 2.5  !1.151e+05
assign (resid 79 and name HN ) (resid 78 and name HN ) 4.0 2.2 2.5  !1.189e+05
assign (resid 79 and name HN ) (resid 80 and name HN ) 4.0 2.2 2.5  !1.324e+05
assign (resid 79 and name HN ) (resid 81 and name HN ) 4.0 2.2 2.5  !3.893e+04
assign (resid 80 and name HA ) (resid 68 and name HB1 ) 4.0 2.2 2.5  !8.268e+03
assign (resid 80 and name HA ) (resid 80 and name HD1 ) 4.0 2.2 2.5  !1.019e+04
assign (resid 80 and name HA ) (resid 80 and name HD2 ) 4.0 2.2 2.5  !1.444e+04
assign (resid 80 and name HA ) (resid 81 and name HN ) 4.0 2.2 2.5  !6.282e+04
assign (resid 80 and name HB1 ) (resid 55 and name HN ) 4.0 2.2 2.5  !8.735e+03
assign (resid 80 and name HB1 ) (resid 56 and name HN ) 4.0 2.2 2.5  !3.905e+04
assign (resid 80 and name HB1 ) (resid 79 and name HN ) 4.0 2.2 2.5  !3.317e+04
!assign (resid 80 and name HB1 ) (resid 80 and name HN ) 2.6 0.8 0.4  !3.695e+05
assign (resid 80 and name HB1 ) (resid 80 and name HN ) 4.0 2.2 2.5
assign (resid 80 and name HB1 ) (resid 81 and name HN ) 3.2 1.4 0.8  !2.102e+05
assign (resid 80 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 2.5  !6.623e+03
assign (resid 80 and name HB2 ) (resid 56 and name HN ) 4.0 2.2 2.5  !3.478e+04
assign (resid 80 and name HB2 ) (resid 80 and name HN ) 4.0 2.2 2.5  !1.497e+05
assign (resid 80 and name HB2 ) (resid 81 and name HN ) 4.0 2.2 2.5  !7.946e+04
assign (resid 80 and name HD1 ) (resid 54 and name HN ) 4.0 2.2 2.5  !4.359e+04
assign (resid 80 and name HD1 ) (resid 55 and name HN ) 4.0 2.2 2.5  !1.870e+04
assign (resid 80 and name HD1 ) (resid 56 and name HN ) 4.0 2.2 2.5  !1.314e+04
assign (resid 80 and name HD1 ) (resid 80 and name HB1 ) 3.2 1.4 0.8  !1.830e+04
assign (resid 80 and name HD1 ) (resid 80 and name HB2 ) 4.0 2.2 2.5  !8.289e+03
assign (resid 80 and name HD1 ) (resid 80 and name HN ) 4.0 2.2 2.5  !1.885e+04
assign (resid 80 and name HD2 ) (resid 54 and name HN ) 4.0 2.2 2.5  !1.349e+04
assign (resid 80 and name HD2 ) (resid 55 and name HN ) 4.0 2.2 2.5  !9.036e+03
assign (resid 80 and name HD2 ) (resid 56 and name HN ) 4.0 2.2 2.5  !6.726e+03
assign (resid 80 and name HD2 ) (resid 80 and name HB1 ) 2.6 0.8 0.4  !3.172e+04
assign (resid 80 and name HD2 ) (resid 80 and name HB2 ) 4.0 2.2 2.5  !1.175e+04
assign (resid 80 and name HD2 ) (resid 80 and name HN ) 4.0 2.2 2.5  !1.164e+04
assign (resid 80 and name HN ) (resid 77 and name HN ) 4.0 2.2 2.5  !8.918e+03
assign (resid 80 and name HN ) (resid 79 and name HN ) 4.0 2.2 2.5  !8.558e+04
assign (resid 80 and name HN ) (resid 81 and name HN ) 2.6 0.8 0.4  !5.179e+05
assign (resid 81 and name HA ) (resid 56 and name HA ) 4.0 2.2 2.5  !2.201e+03
assign (resid 81 and name HA ) (resid 56 and name HN ) 4.0 2.2 2.5  !1.021e+05
assign (resid 81 and name HA ) (resid 57 and name HE1 ) 4.0 2.2 2.5  !1.575e+03
assign (resid 81 and name HA ) (resid 77 and name HA ) 4.0 2.2 2.5  !7.210e+02
assign (resid 81 and name HA ) (resid 80 and name HN ) 4.0 2.2 2.5  !2.310e+04
assign (resid 81 and name HA ) (resid 82 and name HN ) 2.6 0.8 0.4  !4.677e+05
assign (resid 81 and name HN ) (resid 77 and name HN ) 4.0 2.2 2.5  !3.650e+04
assign (resid 81 and name HN ) (resid 79 and name HN ) 4.0 2.2 2.5  !2.426e+04
assign (resid 81 and name HN ) (resid 80 and name HN ) 2.6 0.8 0.4  !6.241e+05
assign (resid 81 and name HN ) (resid 82 and name HN ) 4.0 2.2 2.5  !2.297e+04
assign (resid 82 and name HA ) (resid 57 and name HD2 ) 4.0 2.2 2.5  !1.070e+04
assign (resid 82 and name HA ) (resid 57 and name HE1 ) 4.0 2.2 2.5  !4.673e+03
assign (resid 82 and name HA ) (resid 75 and name HN ) 4.0 2.2 2.5  !5.873e+04
assign (resid 82 and name HA ) (resid 76 and name HN ) 4.0 2.2 2.5  !2.448e+04
assign (resid 82 and name HA ) (resid 77 and name HN ) 4.0 2.2 2.5  !5.393e+04
assign (resid 82 and name HA ) (resid 83 and name HN ) 2.6 0.8 0.4  !6.286e+05
!assign (resid 82 and name HB1 ) (resid 57 and name HD2 ) 3.2 1.4 0.8  !2.144e+04
assign (resid 82 and name HB1 ) (resid 57 and name HD2 ) 4.0 2.2 2.5
assign (resid 82 and name HB1 ) (resid 57 and name HE1 ) 2.6 0.8 0.4  !3.325e+04
assign (resid 82 and name HB1 ) (resid 82 and name HN ) 3.2 1.4 0.8  !1.725e+05
assign (resid 82 and name HB1 ) (resid 83 and name HN ) 4.0 2.2 2.5  !6.482e+04
assign (resid 82 and name HB2 ) (resid 57 and name HD2 ) 4.0 2.2 2.5  !9.530e+03
assign (resid 82 and name HB2 ) (resid 57 and name HE1 ) 3.2 1.4 0.8  !1.770e+04
assign (resid 82 and name HB2 ) (resid 82 and name HN ) 4.0 2.2 2.5  !1.253e+05
assign (resid 82 and name HN ) (resid 56 and name HN ) 4.0 2.2 2.5  !2.317e+04
assign (resid 82 and name HN ) (resid 81 and name HN ) 4.0 2.2 2.5  !1.573e+04
assign (resid 82 and name HN ) (resid 83 and name HN ) 4.0 2.2 2.5  !1.609e+04
assign (resid 83 and name HA ) (resid 75 and name HN ) 4.0 2.2 2.5  !4.504e+04
assign (resid 83 and name HA ) (resid 76 and name HN ) 4.0 2.2 2.5  !5.336e+04
assign (resid 83 and name HA ) (resid 82 and name HA ) 4.0 2.2 2.5  !4.340e+02
assign (resid 83 and name HB1 ) (resid 83 and name HN ) 3.2 1.4 0.8  !1.856e+05
assign (resid 83 and name HB2 ) (resid 83 and name HN ) 3.2 1.4 0.8  !2.249e+05
assign (resid 83 and name HN ) (resid 82 and name HN ) 4.0 2.2 2.5  !3.962e+04
assign (resid 3 and name HA ) (resid 3 and name HG#  ) 2.6 0.8 0.9  !7.057e+04
assign (resid 3 and name HB ) (resid 3 and name HG#  ) 2.6 0.8 0.9  !4.593e+04
assign (resid 3 and name HG#  ) (resid 3 and name HN ) 4.0 2.2 3.0  !7.581e+04
assign (resid 3 and name HG#  ) (resid 4 and name HN ) 4.0 2.2 3.0  !3.158e+04
assign (resid 4 and name HA ) (resid 4 and name HG2# ) 3.2 1.4 1.3  !1.866e+04
assign (resid 4 and name HB ) (resid 4 and name HG2# ) 2.6 0.8 0.9  !3.758e+04
assign (resid 4 and name HG2# ) (resid 4 and name HN ) 4.0 2.2 3.0  !3.382e+04
assign (resid 4 and name HG2# ) (resid 5 and name HN ) 4.0 2.2 3.0  !5.436e+04
assign (resid 5 and name HA ) (resid 5 and name HD1# ) 4.0 2.2 3.0  !7.925e+03
assign (resid 5 and name HA ) (resid 5 and name HD2# ) 2.6 0.8 0.9  !3.375e+04
assign (resid 5 and name HB1 ) (resid 5 and name HD1# ) 2.6 0.8 0.9  !4.580e+04
assign (resid 5 and name HB2 ) (resid 5 and name HD1# ) 2.6 0.8 0.9  !3.741e+04
assign (resid 5 and name HD1# ) (resid 5 and name HN ) 4.0 2.2 3.0  !3.337e+04
assign (resid 5 and name HD1# ) (resid 7 and name HN ) 4.0 2.2 3.0  !6.521e+03
assign (resid 5 and name HD2# ) (resid 5 and name HN ) 4.0 2.2 3.0  !2.331e+04
assign (resid 5 and name HG ) (resid 5 and name HD1# ) 2.6 0.8 0.9  !3.172e+04
assign (resid 6 and name HA ) (resid 7 and name HG# ) 4.0 2.2 3.0  !3.594e+03
assign (resid 6 and name HB# ) (resid 19 and name HN ) 4.0 2.2 3.0  !4.273e+04
assign (resid 6 and name HB# ) (resid 20 and name HN ) 4.0 2.2 3.0  !7.308e+03
assign (resid 7 and name HA ) (resid 7 and name HG# ) 4.0 2.2 3.0  !1.465e+04
assign (resid 7 and name HG# ) (resid 7 and name HN ) 4.0 2.2 3.0  !6.512e+04
assign (resid 7 and name HG# ) (resid 8 and name HN ) 4.0 2.2 3.0  !6.448e+04
assign (resid 8 and name HA1 ) (resid 7 and name HG# ) 4.0 2.2 3.0  !2.533e+03
!assign (resid 10 and name HA ) (resid 22 and name HD# ) 4.0 2.2 3.0  !1.500e+04
assign (resid 10 and name HA ) (resid 22 and name HD# ) 4.0 2.2 3.5
assign (resid 11 and name HA ) (resid 11 and name HD# ) 4.0 2.2 3.0  !3.510e+03
assign (resid 11 and name HA ) (resid 11 and name HE# ) 4.0 2.2 3.0  !9.709e+03
assign (resid 11 and name HA ) (resid 21 and name HG2# ) 3.2 1.4 1.3  !1.981e+04
assign (resid 11 and name HD# ) (resid 10 and name HN ) 4.0 2.2 3.0  !7.263e+03
assign (resid 11 and name HD# ) (resid 11 and name HG1 ) 3.2 1.4 1.3  !2.078e+04
assign (resid 11 and name HD# ) (resid 11 and name HG2 ) 3.2 1.4 1.3  !2.423e+04
assign (resid 11 and name HD# ) (resid 11 and name HN ) 4.0 2.2 3.0  !6.762e+04
assign (resid 11 and name HD# ) (resid 12 and name HN ) 4.0 2.2 3.0  !1.614e+05
assign (resid 11 and name HD# ) (resid 7 and name HN ) 4.0 2.2 3.0  !3.856e+04
assign (resid 11 and name HE# ) (resid 11 and name HN ) 4.0 2.2 3.0  !1.494e+04
assign (resid 11 and name HE# ) (resid 12 and name HN ) 4.0 2.2 3.0  !1.927e+04
!assign (resid 11 and name HE# ) (resid 20 and name HD1# ) 4.0 2.2 3.5  !8.889e+03
!assign (resid 11 and name HE# ) (resid 20 and name HG2# ) 4.0 2.2 3.5  !8.076e+03
assign (resid 11 and name HE# ) (resid 7 and name HN ) 4.0 2.2 3.0  !1.558e+04
assign (resid 12 and name HA ) (resid 12 and name HD# ) 2.6 0.8 0.9  !3.443e+04
assign (resid 12 and name HA ) (resid 12 and name HE# ) 4.0 2.2 3.0  !1.030e+04
assign (resid 12 and name HB1 ) (resid 12 and name HD# ) 2.6 0.8 0.9  !4.050e+04
assign (resid 12 and name HB1 ) (resid 12 and name HE# ) 4.0 2.2 3.0  !6.733e+03
!assign (resid 12 and name HB1 ) (resid 22 and name HD# ) 4.0 2.2 3.0  !9.147e+03
assign (resid 12 and name HB1 ) (resid 22 and name HD# ) 4.0 2.2 3.5
assign (resid 12 and name HB1 ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !4.629e+03
assign (resid 12 and name HB2 ) (resid 12 and name HD# ) 2.6 0.8 0.9  !4.199e+04
assign (resid 12 and name HB2 ) (resid 12 and name HE# ) 4.0 2.2 3.0  !9.350e+03
!assign (resid 12 and name HB2 ) (resid 22 and name HD# ) 4.0 2.2 3.0  !1.484e+04
assign (resid 12 and name HB2 ) (resid 22 and name HD# ) 4.0 2.2 3.5
assign (resid 12 and name HB2 ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !9.118e+03
assign (resid 12 and name HD# ) (resid 12 and name HN ) 4.0 2.2 3.0  !5.789e+04
assign (resid 12 and name HD# ) (resid 13 and name HN ) 4.0 2.2 3.0  !7.910e+04
assign (resid 12 and name HD# ) (resid 14 and name HN ) 4.0 2.2 3.0  !1.857e+04
assign (resid 12 and name HD# ) (resid 20 and name HN ) 4.0 2.2 3.0  !6.277e+04
assign (resid 12 and name HE# ) (resid 12 and name HN ) 4.0 2.2 3.0  !7.624e+03
assign (resid 12 and name HE# ) (resid 13 and name HN ) 4.0 2.2 3.0  !2.347e+04
assign (resid 12 and name HE# ) (resid 14 and name HN ) 4.0 2.2 3.0  !1.129e+04
assign (resid 13 and name HA ) (resid 13 and name HG# ) 4.0 2.2 3.0  !1.243e+04
assign (resid 13 and name HB1 ) (resid 13 and name HG# ) 2.6 0.8 0.9  !6.454e+04
assign (resid 13 and name HB2 ) (resid 13 and name HG# ) 2.6 0.8 0.9  !2.317e+05
assign (resid 13 and name HD# ) (resid 13 and name HB2 ) 2.6 0.8 0.9  !7.520e+04
assign (resid 13 and name HD# ) (resid 13 and name HN ) 4.0 2.2 3.0  !6.023e+04
assign (resid 13 and name HD# ) (resid 14 and name HN ) 4.0 2.2 3.0  !3.545e+04
assign (resid 13 and name HE1 ) (resid 13 and name HG# ) 4.0 2.2 3.0  !4.904e+03
assign (resid 13 and name HG# ) (resid 13 and name HN ) 4.0 2.2 3.0  !1.069e+05
assign (resid 13 and name HG# ) (resid 14 and name HN ) 4.0 2.2 3.0  !6.102e+04
assign (resid 14 and name HA ) (resid 12 and name HD# ) 4.0 2.2 3.0  !2.419e+03
assign (resid 14 and name HA ) (resid 12 and name HE# ) 2.6 0.8 0.9  !3.124e+04
assign (resid 14 and name HB# ) (resid 14 and name HN ) 4.0 2.2 3.0  !1.414e+05
assign (resid 16 and name HB# ) (resid 16 and name HN ) 4.0 2.2 3.0  !7.344e+04
assign (resid 16 and name HB# ) (resid 34 and name HB2 ) 4.0 2.2 3.0  !4.634e+03
assign (resid 16 and name HB# ) (resid 34 and name HB1 ) 4.0 2.2 3.0  !4.268e+03
assign (resid 16 and name HB# ) (resid 34 and name HN ) 4.0 2.2 3.0  !3.693e+04
assign (resid 17 and name HA1 ) (resid 13 and name HG# ) 4.0 2.2 3.0  !4.938e+03
assign (resid 19 and name HA ) (resid 12 and name HD# ) 4.0 2.2 3.0  !2.134e+03
assign (resid 19 and name HA ) (resid 20 and name HG2# ) 4.0 2.2 3.0  !2.791e+03
assign (resid 20 and name HA ) (resid 20 and name HD1# ) 4.0 2.2 3.0  !9.033e+03
assign (resid 20 and name HA ) (resid 20 and name HG2# ) 2.6 0.8 0.9  !4.249e+04
assign (resid 20 and name HA ) (resid 21 and name HG2# ) 4.0 2.2 3.0  !6.222e+03
assign (resid 20 and name HA ) (resid 24 and name HE# ) 4.0 2.2 3.0  !2.126e+03
assign (resid 20 and name HB ) (resid 12 and name HD# ) 4.0 2.2 3.0  !4.415e+03
assign (resid 20 and name HB ) (resid 20 and name HD1# ) 2.6 0.8 0.9  !3.286e+04
assign (resid 20 and name HB ) (resid 20 and name HG2# ) 2.6 0.8 0.9  !3.305e+04
assign (resid 20 and name HD1# ) (resid 12 and name HD# ) 2.6 0.8 1.4  !5.853e+04
assign (resid 20 and name HD1# ) (resid 12 and name HN ) 4.0 2.2 3.0  !3.783e+04
assign (resid 20 and name HD1# ) (resid 13 and name HN ) 4.0 2.2 3.0  !1.904e+04
assign (resid 20 and name HD1# ) (resid 14 and name HN ) 4.0 2.2 3.0  !7.172e+03
assign (resid 20 and name HD1# ) (resid 20 and name HN ) 4.0 2.2 3.0  !1.131e+05
assign (resid 20 and name HD1# ) (resid 21 and name HN ) 4.0 2.2 3.0  !1.257e+05
assign (resid 20 and name HD1# ) (resid 31 and name HN ) 4.0 2.2 3.0  !3.665e+04
assign (resid 20 and name HD1# ) (resid 32 and name HN ) 4.0 2.2 3.0  !5.294e+04
assign (resid 20 and name HG11 ) (resid 12 and name HD# ) 3.2 1.4 1.3  !2.436e+04
assign (resid 20 and name HG11 ) (resid 12 and name HE# ) 4.0 2.2 3.0  !3.569e+03
assign (resid 20 and name HG11 ) (resid 20 and name HD1# ) 2.6 0.8 0.9  !4.065e+04
assign (resid 20 and name HG12 ) (resid 12 and name HD# ) 3.2 1.4 1.3  !2.700e+04
assign (resid 20 and name HG12 ) (resid 12 and name HE# ) 4.0 2.2 3.0  !8.069e+03
assign (resid 20 and name HG12 ) (resid 20 and name HD1# ) 2.6 0.8 0.9  !6.911e+04
assign (resid 20 and name HG2# ) (resid 12 and name HD# ) 3.2 1.4 1.8  !1.706e+04
assign (resid 20 and name HG2# ) (resid 12 and name HN ) 4.0 2.2 3.0  !1.803e+04
assign (resid 20 and name HG2# ) (resid 13 and name HN ) 4.0 2.2 3.0  !1.739e+04
assign (resid 20 and name HG2# ) (resid 14 and name HN ) 4.0 2.2 3.0  !1.588e+04
assign (resid 20 and name HG2# ) (resid 19 and name HN ) 4.0 2.2 3.0  !4.210e+04
assign (resid 20 and name HG2# ) (resid 20 and name HN ) 3.2 1.4 1.3  !1.788e+05
assign (resid 20 and name HG2# ) (resid 21 and name HN ) 3.2 1.4 1.3  !2.016e+05
assign (resid 20 and name HG2# ) (resid 31 and name HN ) 4.0 2.2 3.0  !2.309e+04
assign (resid 20 and name HG2# ) (resid 32 and name HN ) 4.0 2.2 3.0  !5.445e+04
assign (resid 21 and name HA ) (resid 21 and name HG2# ) 2.6 0.8 0.9  !4.315e+04
!assign (resid 21 and name HA ) (resid 22 and name HD# ) 4.0 2.2 3.0  !1.064e+03
assign (resid 21 and name HA ) (resid 22 and name HD# ) 4.0 2.2 3.5
!assign (resid 21 and name HB ) (resid 22 and name HD# ) 4.0 2.2 3.0  !9.650e+02
assign (resid 21 and name HB ) (resid 22 and name HD# ) 4.0 2.2 3.5
assign (resid 21 and name HB ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !3.658e+03
assign (resid 21 and name HG2# ) (resid 10 and name HD21 ) 4.0 2.2 3.0  !6.231e+04
assign (resid 21 and name HG2# ) (resid 10 and name HD22 ) 4.0 2.2 3.0  !6.142e+04
assign (resid 21 and name HG2# ) (resid 20 and name HN ) 4.0 2.2 3.0  !5.791e+04
assign (resid 21 and name HG2# ) (resid 21 and name HN ) 3.2 1.4 1.3  !2.846e+05
assign (resid 21 and name HG2# ) (resid 22 and name HN ) 3.2 1.4 1.3  !1.706e+05
assign (resid 21 and name HG2# ) (resid 23 and name HN ) 4.0 2.2 3.0  !9.246e+04
assign (resid 22 and name HA ) (resid 12 and name HD# ) 4.0 2.2 3.0  !5.400e+03
assign (resid 22 and name HA ) (resid 21 and name HG2# ) 4.0 2.2 3.0  !4.269e+03
!assign (resid 22 and name HA ) (resid 22 and name HD# ) 2.6 0.8 0.9  !5.512e+04
assign (resid 22 and name HA ) (resid 22 and name HD# ) 2.6 0.8 1.4
assign (resid 22 and name HA ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !4.534e+03
assign (resid 22 and name HA ) (resid 25 and name HG2# ) 2.6 0.8 0.9  !3.003e+04
!assign (resid 22 and name HB1 ) (resid 22 and name HD# ) 2.6 0.8 0.9  !5.616e+04
assign (resid 22 and name HB1 ) (resid 22 and name HD# ) 2.6 0.8 1.4
assign (resid 22 and name HB1 ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !2.222e+03
!assign (resid 22 and name HB2 ) (resid 22 and name HD# ) 2.6 0.8 0.9  !4.454e+04
assign (resid 22 and name HB2 ) (resid 22 and name HD# ) 2.6 0.8 1.4
assign (resid 22 and name HB2 ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !6.383e+03
!assign (resid 22 and name HD# ) (resid 10 and name HN ) 4.0 2.2 3.0  !3.345e+04
assign (resid 22 and name HD# ) (resid 10 and name HN ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 11 and name HN ) 4.0 2.2 3.0  !4.675e+04
assign (resid 22 and name HD# ) (resid 11 and name HN ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 12 and name HD# ) 3.2 1.4 1.8  !2.955e+04
assign (resid 22 and name HD# ) (resid 12 and name HD# ) 3.2 1.4 2.3
!assign (resid 22 and name HD# ) (resid 12 and name HE# ) 4.0 2.2 3.5  !6.285e+03
assign (resid 22 and name HD# ) (resid 12 and name HE# ) 4.0 2.2 4.0
!assign (resid 22 and name HD# ) (resid 12 and name HN ) 4.0 2.2 3.0  !4.950e+04
assign (resid 22 and name HD# ) (resid 12 and name HN ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 12 and name HZ ) 4.0 2.2 3.0  !3.868e+03
assign (resid 22 and name HD# ) (resid 12 and name HZ ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 22 and name HN ) 4.0 2.2 3.0  !1.315e+05
assign (resid 22 and name HD# ) (resid 22 and name HN ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 23 and name HN ) 4.0 2.2 3.0  !5.602e+04
assign (resid 22 and name HD# ) (resid 23 and name HN ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 24 and name HN ) 4.0 2.2 3.0  !3.247e+04
assign (resid 22 and name HD# ) (resid 24 and name HN ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 25 and name HG1#  ) 4.0 2.2 3.5  !1.599e+04
assign (resid 22 and name HD# ) (resid 25 and name HG1#  ) 4.0 2.2 4.0
!assign (resid 22 and name HD# ) (resid 25 and name HG2# ) 2.6 0.8 1.4  !3.881e+04
assign (resid 22 and name HD# ) (resid 25 and name HG2# ) 2.6 0.8 1.9
!assign (resid 22 and name HD# ) (resid 25 and name HN ) 4.0 2.2 3.0  !5.540e+04
assign (resid 22 and name HD# ) (resid 25 and name HN ) 4.0 2.2 3.5
!assign (resid 22 and name HD# ) (resid 64 and name HD1# ) 4.0 2.2 3.5  !8.469e+03
assign (resid 22 and name HD# ) (resid 64 and name HD1# ) 4.0 2.2 4.0
!assign (resid 22 and name HD# ) (resid 64 and name HG2# ) 2.6 0.8 1.4  !3.697e+04
assign (resid 22 and name HD# ) (resid 64 and name HG2# ) 2.6 0.8 1.9
!assign (resid 22 and name HD# ) (resid 64 and name HN ) 4.0 2.2 3.0  !2.689e+04
assign (resid 22 and name HD# ) (resid 64 and name HN ) 4.0 2.2 3.5
assign (resid 22 and name HG ) (resid 12 and name HD# ) 4.0 2.2 3.0  !5.548e+03
assign (resid 22 and name HG ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !7.454e+03
assign (resid 23 and name HA ) (resid 21 and name HG2# ) 4.0 2.2 3.0  !2.565e+03
assign (resid 23 and name HB1 ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !7.610e+03
assign (resid 23 and name HB1 ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !8.493e+03
assign (resid 23 and name HB2 ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !1.667e+03
assign (resid 23 and name HB2 ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !5.847e+03
assign (resid 24 and name HA ) (resid 24 and name HE# ) 4.0 2.2 3.0  !6.271e+03
assign (resid 24 and name HB1 ) (resid 20 and name HD1# ) 4.0 2.2 3.0  !1.372e+04
assign (resid 24 and name HB2 ) (resid 20 and name HD1# ) 4.0 2.2 3.0  !1.192e+04
assign (resid 24 and name HE# ) (resid 21 and name HN ) 4.0 2.2 3.0  !4.116e+04
assign (resid 24 and name HE# ) (resid 24 and name HN ) 4.0 2.2 3.0  !3.444e+04
assign (resid 24 and name HE# ) (resid 25 and name HN ) 4.0 2.2 3.0  !2.716e+04
assign (resid 24 and name HE# ) (resid 27 and name HD21 ) 4.0 2.2 3.0  !1.117e+04
assign (resid 24 and name HE# ) (resid 27 and name HD22 ) 4.0 2.2 3.0  !1.266e+04
assign (resid 25 and name HA ) (resid 24 and name HE# ) 4.0 2.2 3.0  !3.480e+03
assign (resid 25 and name HA ) (resid 25 and name HG1#  ) 3.2 1.4 1.3  !2.214e+04
assign (resid 25 and name HA ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !1.674e+04
assign (resid 25 and name HB ) (resid 25 and name HG1#  ) 2.6 0.8 0.9  !4.883e+04
assign (resid 25 and name HB ) (resid 25 and name HG2# ) 2.6 0.8 0.9  !4.003e+04
assign (resid 25 and name HB ) (resid 64 and name HD1# ) 3.2 1.4 1.3  !2.465e+04
assign (resid 25 and name HB ) (resid 64 and name HG2# ) 3.2 1.4 1.3  !2.163e+04
assign (resid 25 and name HG1#  ) (resid 12 and name HD# ) 4.0 2.2 3.5  !9.812e+03
assign (resid 25 and name HG1#  ) (resid 12 and name HE# ) 4.0 2.2 3.5  !1.209e+04
assign (resid 25 and name HG1#  ) (resid 12 and name HZ ) 4.0 2.2 3.0  !4.432e+03
assign (resid 25 and name HG1#  ) (resid 24 and name HN ) 4.0 2.2 3.0  !3.227e+04
assign (resid 25 and name HG1#  ) (resid 25 and name HG2# ) 2.6 0.8 1.4  !6.185e+04
assign (resid 25 and name HG1#  ) (resid 25 and name HN ) 4.0 2.2 3.0  !1.365e+05
assign (resid 25 and name HG1#  ) (resid 26 and name HN ) 3.2 1.4 1.3  !2.666e+05
assign (resid 25 and name HG1#  ) (resid 27 and name HN ) 4.0 2.2 3.0  !1.491e+04
assign (resid 25 and name HG1#  ) (resid 63 and name HN ) 4.0 2.2 3.0  !3.394e+04
assign (resid 25 and name HG1#  ) (resid 64 and name HN ) 4.0 2.2 3.0  !9.716e+04
assign (resid 25 and name HG2# ) (resid 12 and name HD# ) 2.6 0.8 1.4  !3.028e+04
assign (resid 25 and name HG2# ) (resid 12 and name HE# ) 4.0 2.2 3.5  !1.501e+04
assign (resid 25 and name HG2# ) (resid 12 and name HN ) 4.0 2.2 3.0  !1.918e+04
assign (resid 25 and name HG2# ) (resid 12 and name HZ ) 4.0 2.2 3.0  !5.782e+03
assign (resid 25 and name HG2# ) (resid 13 and name HN ) 4.0 2.2 3.0  !1.056e+04
assign (resid 25 and name HG2# ) (resid 21 and name HN ) 4.0 2.2 3.0  !1.347e+04
assign (resid 25 and name HG2# ) (resid 22 and name HN ) 4.0 2.2 3.0  !2.659e+04
assign (resid 25 and name HG2# ) (resid 23 and name HN ) 4.0 2.2 3.0  !1.155e+04
assign (resid 25 and name HG2# ) (resid 24 and name HN ) 4.0 2.2 3.0  !4.656e+04
assign (resid 25 and name HG2# ) (resid 25 and name HN ) 2.6 0.8 0.9  !3.059e+05
assign (resid 25 and name HG2# ) (resid 26 and name HN ) 4.0 2.2 3.0  !1.170e+05
assign (resid 25 and name HG2# ) (resid 64 and name HN ) 4.0 2.2 3.0  !1.536e+04
assign (resid 26 and name HA ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !6.791e+03
assign (resid 26 and name HA ) (resid 64 and name HD1# ) 4.0 2.2 3.0  !5.834e+03
assign (resid 26 and name HB2 ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !8.386e+03
assign (resid 26 and name HB2 ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !3.504e+03
assign (resid 26 and name HB1 ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !5.825e+03
assign (resid 27 and name HB1 ) (resid 29 and name HB# ) 4.0 2.2 3.0  !4.830e+02
assign (resid 27 and name HB2 ) (resid 29 and name HB# ) 4.0 2.2 3.0  !3.028e+03
assign (resid 28 and name HA ) (resid 28 and name HE# ) 4.0 2.2 3.0  !2.171e+03
assign (resid 28 and name HE# ) (resid 28 and name HN ) 4.0 2.2 3.0  !1.750e+04
assign (resid 28 and name HE# ) (resid 29 and name HN ) 4.0 2.2 3.0  !1.031e+04
assign (resid 29 and name HB# ) (resid 27 and name HD21 ) 4.0 2.2 3.0  !1.445e+05
assign (resid 29 and name HB# ) (resid 27 and name HD22 ) 4.0 2.2 3.0  !1.486e+05
assign (resid 29 and name HB# ) (resid 27 and name HN ) 4.0 2.2 3.0  !1.789e+04
assign (resid 29 and name HB# ) (resid 28 and name HN ) 4.0 2.2 3.0  !3.208e+04
assign (resid 29 and name HB# ) (resid 29 and name HN ) 2.6 0.8 0.9  !6.127e+05
assign (resid 29 and name HB# ) (resid 30 and name HN ) 4.0 2.2 3.0  !7.068e+04
assign (resid 29 and name HB# ) (resid 31 and name HN ) 4.0 2.2 3.0  !2.097e+04
assign (resid 30 and name HB# ) (resid 32 and name HN ) 4.0 2.2 3.0  !1.930e+04
assign (resid 30 and name HB# ) (resid 35 and name HD1 ) 4.0 2.2 3.0  !3.180e+03
assign (resid 30 and name HB# ) (resid 35 and name HE1 ) 4.0 2.2 3.0  !1.746e+04
assign (resid 30 and name HB# ) (resid 35 and name HE3 ) 4.0 2.2 3.0  !1.896e+03
assign (resid 30 and name HB# ) (resid 35 and name HH2 ) 4.0 2.2 3.0  !4.069e+03
assign (resid 30 and name HB# ) (resid 35 and name HZ2 ) 4.0 2.2 3.0  !3.592e+03
assign (resid 30 and name HB# ) (resid 35 and name HZ3 ) 4.0 2.2 3.0  !3.143e+03
assign (resid 31 and name HB1 ) (resid 20 and name HD1# ) 3.2 1.4 1.3  !2.192e+04
assign (resid 31 and name HB2 ) (resid 20 and name HD1# ) 3.2 1.4 1.3  !1.748e+04
assign (resid 33 and name HA ) (resid 33 and name HD# ) 4.0 2.2 3.0  !4.326e+03
assign (resid 33 and name HD# ) (resid 33 and name HB1 ) 3.2 1.4 1.3  !2.024e+04
assign (resid 33 and name HD# ) (resid 33 and name HB2 ) 2.6 0.8 0.9  !4.420e+04
assign (resid 33 and name HD# ) (resid 33 and name HG1 ) 2.6 0.8 0.9  !5.579e+04
assign (resid 33 and name HD# ) (resid 33 and name HG2 ) 3.2 1.4 1.3  !2.932e+04
assign (resid 33 and name HG# ) (resid 33 and name HN ) 4.0 2.2 3.0  !4.140e+04
assign (resid 33 and name HG# ) (resid 34 and name HN ) 4.0 2.2 3.0  !4.224e+04
assign (resid 33 and name HG# ) (resid 35 and name HN ) 4.0 2.2 3.0  !1.605e+04
assign (resid 37 and name HA ) (resid 12 and name HD# ) 4.0 2.2 3.0  !3.857e+03
assign (resid 37 and name HA ) (resid 12 and name HE# ) 3.2 1.4 1.3  !2.311e+04
assign (resid 37 and name HA ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !7.616e+03
assign (resid 37 and name HA ) (resid 25 and name HG2# ) 4.0 2.2 3.0  !7.691e+03
assign (resid 37 and name HB1 ) (resid 12 and name HD# ) 4.0 2.2 3.0  !4.486e+03
assign (resid 37 and name HB1 ) (resid 12 and name HE# ) 4.0 2.2 3.0  !4.978e+03
assign (resid 37 and name HB1 ) (resid 20 and name HD1# ) 4.0 2.2 3.0  !1.689e+04
assign (resid 37 and name HB2 ) (resid 12 and name HD# ) 4.0 2.2 3.0  !8.338e+03
assign (resid 37 and name HB2 ) (resid 12 and name HE# ) 4.0 2.2 3.0  !6.224e+03
assign (resid 37 and name HB2 ) (resid 20 and name HD1# ) 3.2 1.4 1.3  !2.439e+04
assign (resid 38 and name HA ) (resid 38 and name HG# ) 4.0 2.2 3.0  !1.560e+04
assign (resid 38 and name HG# ) (resid 26 and name HN ) 4.0 2.2 3.0  !2.044e+04
assign (resid 38 and name HG# ) (resid 27 and name HN ) 4.0 2.2 3.0  !3.146e+04
assign (resid 38 and name HG# ) (resid 31 and name HN ) 4.0 2.2 3.0  !2.068e+04
assign (resid 38 and name HG# ) (resid 32 and name HN ) 4.0 2.2 3.0  !8.566e+03
assign (resid 38 and name HG# ) (resid 35 and name HD1 ) 4.0 2.2 3.0  !2.044e+03
assign (resid 38 and name HG# ) (resid 35 and name HE1 ) 4.0 2.2 3.0  !2.528e+04
assign (resid 38 and name HG# ) (resid 35 and name HE3 ) 3.2 1.4 1.3  !2.446e+04
assign (resid 38 and name HG# ) (resid 35 and name HZ3 ) 4.0 2.2 3.0  !9.894e+03
assign (resid 38 and name HG# ) (resid 38 and name HN ) 3.2 1.4 1.3  !1.961e+05
assign (resid 39 and name HA ) (resid 38 and name HG# ) 4.0 2.2 3.0  !8.450e+03
assign (resid 39 and name HA ) (resid 39 and name HG# ) 4.0 2.2 3.0  !1.294e+04
assign (resid 39 and name HD1 ) (resid 64 and name HD1# ) 4.0 2.2 3.0  !5.835e+03
assign (resid 39 and name HD2 ) (resid 64 and name HD1# ) 4.0 2.2 3.0  !9.230e+03
assign (resid 39 and name HG1 ) (resid 64 and name HD1# ) 4.0 2.2 3.0  !3.413e+03
assign (resid 39 and name HG2 ) (resid 64 and name HD1# ) 4.0 2.2 3.0  !4.789e+03
assign (resid 40 and name HA ) (resid 40 and name HD1# ) 3.2 1.4 1.3  !2.208e+04
assign (resid 40 and name HA ) (resid 40 and name HG2# ) 3.2 1.4 1.3  !2.994e+04
assign (resid 40 and name HB ) (resid 40 and name HD1# ) 2.6 0.8 0.9  !7.540e+04
assign (resid 40 and name HB ) (resid 40 and name HG2# ) 2.6 0.8 0.9  !1.378e+05
assign (resid 40 and name HD1# ) (resid 40 and name HN ) 4.0 2.2 3.0  !1.110e+05
assign (resid 40 and name HD1# ) (resid 41 and name HN ) 4.0 2.2 3.0  !5.283e+04
assign (resid 40 and name HD1# ) (resid 43 and name HN ) 4.0 2.2 3.0  !2.475e+04
assign (resid 40 and name HG11 ) (resid 40 and name HD1# ) 2.6 0.8 0.9  !6.093e+04
assign (resid 40 and name HG11 ) (resid 40 and name HG2# ) 2.6 0.8 0.9  !3.432e+04
assign (resid 40 and name HG12 ) (resid 40 and name HD1# ) 2.6 0.8 0.9  !3.671e+04
assign (resid 40 and name HG12 ) (resid 40 and name HG2# ) 4.0 2.2 3.0  !9.846e+03
assign (resid 40 and name HG2# ) (resid 40 and name HN ) 3.2 1.4 1.3  !2.214e+05
assign (resid 40 and name HG2# ) (resid 41 and name HN ) 3.2 1.4 1.3  !1.822e+05
assign (resid 40 and name HG2# ) (resid 42 and name HN ) 4.0 2.2 3.0  !4.185e+04
assign (resid 40 and name HG2# ) (resid 43 and name HN ) 4.0 2.2 3.0  !4.158e+04
assign (resid 41 and name HA ) (resid 40 and name HG2# ) 3.2 1.4 1.3  !1.793e+04
assign (resid 41 and name HA ) (resid 41 and name HD# ) 4.0 2.2 3.0  !1.345e+04
assign (resid 41 and name HB# ) (resid 41 and name HD# ) 2.6 0.8 1.4  !6.505e+04
assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.6 0.8 0.9  !7.680e+05
assign (resid 41 and name HB# ) (resid 42 and name HN ) 3.2 1.4 1.3  !2.768e+05
assign (resid 41 and name HD# ) (resid 41 and name HG2 ) 2.6 0.8 0.9  !6.163e+04
assign (resid 41 and name HD# ) (resid 41 and name HN ) 4.0 2.2 3.0  !8.892e+04
assign (resid 41 and name HD# ) (resid 42 and name HN ) 4.0 2.2 3.0  !3.332e+04
assign (resid 41 and name HE# ) (resid 41 and name HB# ) 4.0 2.2 3.5  !8.207e+03
assign (resid 42 and name HA ) (resid 45 and name HG2# ) 4.0 2.2 3.0  !6.711e+03
assign (resid 42 and name HB# ) (resid 42 and name HN ) 3.2 1.4 1.3  !1.883e+05
assign (resid 42 and name HB# ) (resid 43 and name HN ) 3.2 1.4 1.3  !1.956e+05
assign (resid 42 and name HB# ) (resid 45 and name HN ) 4.0 2.2 3.0  !1.801e+04
assign (resid 42 and name HB# ) (resid 65 and name HN ) 4.0 2.2 3.0  !9.396e+04
assign (resid 42 and name HG# ) (resid 41 and name HN ) 4.0 2.2 3.0  !3.832e+04
assign (resid 43 and name HA ) (resid 44 and name HA# ) 4.0 2.2 3.0  !2.954e+03
assign (resid 44 and name HA# ) (resid 43 and name HN ) 4.0 2.2 3.0  !1.174e+04
assign (resid 44 and name HA# ) (resid 44 and name HN ) 3.2 1.4 1.3  !2.170e+05
assign (resid 44 and name HA# ) (resid 45 and name HN ) 2.6 0.8 0.9  !3.092e+05
assign (resid 45 and name HA ) (resid 45 and name HG2# ) 2.6 0.8 0.9  !3.440e+04
assign (resid 45 and name HB ) (resid 42 and name HB# ) 4.0 2.2 3.0  !8.275e+03
assign (resid 45 and name HB ) (resid 45 and name HG2# ) 2.6 0.8 0.9  !4.861e+04
assign (resid 45 and name HG2# ) (resid 45 and name HN ) 3.2 1.4 1.3  !1.712e+05
assign (resid 45 and name HG2# ) (resid 46 and name HN ) 4.0 2.2 3.0  !1.696e+05
assign (resid 45 and name HG2# ) (resid 47 and name HN ) 3.2 1.4 1.3  !1.823e+05
assign (resid 45 and name HG2# ) (resid 66 and name HD# ) 3.2 1.4 1.8  !2.132e+04
assign (resid 46 and name HA ) (resid 45 and name HG2# ) 4.0 2.2 3.0  !3.145e+03
assign (resid 46 and name HA ) (resid 47 and name HB# ) 4.0 2.2 3.0  !3.199e+03
assign (resid 46 and name HA ) (resid 49 and name HD1# ) 4.0 2.2 3.0  !1.581e+03
assign (resid 47 and name HA ) (resid 45 and name HG2# ) 3.2 1.4 1.3  !2.521e+04
assign (resid 47 and name HA ) (resid 47 and name HG# ) 4.0 2.2 3.0  !1.582e+04
assign (resid 47 and name HA ) (resid 66 and name HD# ) 4.0 2.2 3.0  !1.131e+04
assign (resid 47 and name HB# ) (resid 45 and name HG2# ) 2.6 0.8 1.4  !3.638e+04
assign (resid 47 and name HB1 ) (resid 45 and name HG2# ) 3.2 1.4 1.3  !2.065e+04
assign (resid 47 and name HB1 ) (resid 66 and name HD# ) 2.6 0.8 0.9  !4.326e+04
assign (resid 47 and name HB1 ) (resid 66 and name HD# ) 3.2 1.4 1.3  !2.873e+04
assign (resid 47 and name HG# ) (resid 45 and name HG2# ) 4.0 2.2 3.5  !8.583e+03
assign (resid 47 and name HG# ) (resid 47 and name HB1 ) 2.6 0.8 0.9  !4.750e+04
assign (resid 47 and name HG# ) (resid 47 and name HB2 ) 2.6 0.8 0.9  !4.077e+04
assign (resid 47 and name HG# ) (resid 47 and name HN ) 4.0 2.2 3.0  !9.735e+04
assign (resid 47 and name HG# ) (resid 48 and name HN ) 4.0 2.2 3.0  !1.070e+05
assign (resid 47 and name HG# ) (resid 66 and name HD# ) 2.6 0.8 1.4  !3.610e+04
assign (resid 49 and name HA ) (resid 49 and name HD1# ) 3.2 1.4 1.3  !2.948e+04
assign (resid 49 and name HA ) (resid 49 and name HD2# ) 2.6 0.8 0.9  !9.294e+04
assign (resid 49 and name HB1 ) (resid 49 and name HD1# ) 2.6 0.8 0.9  !6.407e+04
assign (resid 49 and name HB1 ) (resid 49 and name HD2# ) 3.2 1.4 1.3  !2.589e+04
assign (resid 49 and name HB2 ) (resid 49 and name HD2# ) 2.6 0.8 0.9  !4.321e+04
assign (resid 49 and name HD1# ) (resid 46 and name HD21 ) 4.0 2.2 3.0  !9.660e+04
assign (resid 49 and name HD1# ) (resid 46 and name HD22 ) 4.0 2.2 3.0  !9.947e+04
assign (resid 49 and name HD1# ) (resid 48 and name HN ) 4.0 2.2 3.0  !6.660e+04
assign (resid 49 and name HD1# ) (resid 49 and name HD2# ) 2.6 0.8 1.4  !1.254e+05
assign (resid 49 and name HD1# ) (resid 49 and name HN ) 3.2 1.4 1.3  !2.214e+05
assign (resid 49 and name HD1# ) (resid 50 and name HN ) 4.0 2.2 3.0  !4.117e+04
assign (resid 49 and name HD2# ) (resid 46 and name HD21 ) 4.0 2.2 3.0  !1.126e+05
assign (resid 49 and name HD2# ) (resid 46 and name HD22 ) 4.0 2.2 3.0  !1.070e+05
assign (resid 49 and name HD2# ) (resid 48 and name HN ) 4.0 2.2 3.0  !3.511e+04
assign (resid 49 and name HD2# ) (resid 49 and name HN ) 3.2 1.4 1.3  !2.161e+05
assign (resid 49 and name HD2# ) (resid 50 and name HN ) 4.0 2.2 3.0  !2.796e+04
assign (resid 49 and name HG ) (resid 49 and name HD2# ) 2.6 0.8 0.9  !5.677e+04
assign (resid 57 and name HB1 ) (resid 58 and name HG2# ) 4.0 2.2 3.0  !5.407e+03
assign (resid 57 and name HB2 ) (resid 58 and name HG2# ) 4.0 2.2 3.0  !9.278e+03
assign (resid 58 and name HA ) (resid 58 and name HG1#  ) 2.6 0.8 0.9  !5.492e+04
assign (resid 58 and name HA ) (resid 58 and name HG2# ) 2.6 0.8 0.9  !6.818e+04
!assign (resid 58 and name HG#  ) (resid 52 and name HD21 ) 4.0 2.2 3.0  !7.996e+03
assign (resid 58 and name HG#  ) (resid 52 and name HD21 ) 4.0 2.2 3.5
!assign (resid 58 and name HG#  ) (resid 52 and name HD22 ) 4.0 2.2 3.0  !2.386e+04
assign (resid 58 and name HG#  ) (resid 52 and name HD22 ) 4.0 2.2 3.5
assign (resid 58 and name HG1#  ) (resid 57 and name HD2 ) 4.0 2.2 3.0  !8.836e+03
assign (resid 58 and name HG1#  ) (resid 57 and name HN ) 4.0 2.2 3.0  !2.282e+04
assign (resid 58 and name HG1#  ) (resid 58 and name HN ) 4.0 2.2 3.0  !1.675e+05
assign (resid 58 and name HG1#  ) (resid 59 and name HN ) 2.6 0.8 0.9  !3.167e+05
assign (resid 58 and name HG2# ) (resid 57 and name HD2 ) 4.0 2.2 3.0  !1.307e+04
assign (resid 58 and name HG2# ) (resid 57 and name HN ) 4.0 2.2 3.0  !2.550e+04
assign (resid 58 and name HG2# ) (resid 58 and name HN ) 2.6 0.8 0.9  !3.538e+05
assign (resid 58 and name HG2# ) (resid 59 and name HN ) 3.2 1.4 1.3  !2.173e+05
assign (resid 59 and name HA ) (resid 69 and name HD1# ) 4.0 2.2 3.0  !5.404e+03
assign (resid 60 and name HA ) (resid 69 and name HD1# ) 4.0 2.2 3.0  !6.082e+03
assign (resid 60 and name HB2 ) (resid 69 and name HD1# ) 2.6 0.8 0.9  !3.843e+04
assign (resid 60 and name HB2 ) (resid 69 and name HD2# ) 3.2 1.4 1.3  !2.632e+04
assign (resid 60 and name HB1 ) (resid 69 and name HD1# ) 3.2 1.4 1.3  !2.006e+04
assign (resid 60 and name HB1 ) (resid 69 and name HD2# ) 4.0 2.2 3.0  !9.081e+03
assign (resid 61 and name HA ) (resid 62 and name HD1# ) 4.0 2.2 3.0  !2.622e+03
assign (resid 61 and name HA ) (resid 66 and name HD# ) 3.2 1.4 1.3  !1.750e+04
assign (resid 62 and name HA ) (resid 62 and name HD1# ) 3.2 1.4 1.3  !1.700e+04
assign (resid 62 and name HA ) (resid 62 and name HD2# ) 2.6 0.8 0.9  !5.280e+04
assign (resid 62 and name HB1 ) (resid 62 and name HD1# ) 2.6 0.8 0.9  !4.137e+04
assign (resid 62 and name HB2 ) (resid 62 and name HD1# ) 2.6 0.8 0.9  !3.898e+04
assign (resid 62 and name HD1# ) (resid 60 and name HD21 ) 4.0 2.2 3.0  !8.883e+04
assign (resid 62 and name HD1# ) (resid 60 and name HD22 ) 4.0 2.2 3.0  !5.386e+04
assign (resid 62 and name HD1# ) (resid 62 and name HN ) 4.0 2.2 3.0  !1.537e+05
assign (resid 62 and name HD1# ) (resid 63 and name HN ) 4.0 2.2 3.0  !9.718e+04
assign (resid 62 and name HD1# ) (resid 66 and name HN ) 4.0 2.2 3.0  !1.581e+05
assign (resid 62 and name HD1# ) (resid 67 and name HN ) 4.0 2.2 3.0  !1.301e+05
!assign (resid 62 and name HD2# ) (resid 60 and name HD21 ) 2.6 0.8 0.9  !4.219e+05
!assign (resid 62 and name HD2# ) (resid 60 and name HD22 ) 2.6 0.8 0.9  !4.016e+05
assign (resid 62 and name HD2# ) (resid 60 and name HD21 ) 3.2 1.4 1.3 
assign (resid 62 and name HD2# ) (resid 60 and name HD22 ) 3.2 1.4 1.3
assign (resid 62 and name HD2# ) (resid 60 and name HN ) 4.0 2.2 3.0  !1.344e+05
assign (resid 62 and name HD2# ) (resid 61 and name HN ) 4.0 2.2 3.0  !3.523e+04
assign (resid 62 and name HD2# ) (resid 62 and name HN ) 4.0 2.2 3.0  !1.424e+05
assign (resid 62 and name HD2# ) (resid 63 and name HN ) 4.0 2.2 3.0  !1.623e+05
assign (resid 62 and name HD2# ) (resid 66 and name HN ) 4.0 2.2 3.0  !6.464e+04
assign (resid 62 and name HD2# ) (resid 67 and name HN ) 4.0 2.2 3.0  !1.129e+05
assign (resid 62 and name HG ) (resid 62 and name HD1# ) 2.6 0.8 0.9  !5.633e+04
assign (resid 63 and name HA ) (resid 63 and name HD# ) 4.0 2.2 3.0  !1.040e+04
assign (resid 63 and name HA ) (resid 63 and name HG# ) 3.2 1.4 1.3  !2.203e+04
assign (resid 63 and name HB1 ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !1.256e+04
assign (resid 63 and name HB2 ) (resid 25 and name HG1#  ) 3.2 1.4 1.3  !2.911e+04
assign (resid 63 and name HD# ) (resid 25 and name HG1#  ) 4.0 2.2 3.5  !1.696e+04
assign (resid 63 and name HD# ) (resid 63 and name HN ) 4.0 2.2 3.0  !1.603e+05
assign (resid 63 and name HE# ) (resid 25 and name HG1#  ) 4.0 2.2 3.5  !8.309e+03
assign (resid 63 and name HE# ) (resid 25 and name HG2# ) 4.0 2.2 3.5  !6.147e+03
assign (resid 63 and name HE# ) (resid 63 and name HB1 ) 4.0 2.2 3.0  !1.010e+04
assign (resid 63 and name HE# ) (resid 63 and name HN ) 4.0 2.2 3.0  !8.286e+03
assign (resid 63 and name HG# ) (resid 63 and name HN ) 4.0 2.2 3.0  !9.402e+04
assign (resid 64 and name HA ) (resid 25 and name HG1#  ) 4.0 2.2 3.0  !1.529e+03
assign (resid 64 and name HA ) (resid 64 and name HD1# ) 4.0 2.2 3.0  !1.441e+04
assign (resid 64 and name HA ) (resid 64 and name HG1#  ) 4.0 2.2 3.0  !4.739e+03
assign (resid 64 and name HA ) (resid 64 and name HG2# ) 2.6 0.8 0.9  !3.621e+04
assign (resid 64 and name HB ) (resid 64 and name HD1# ) 3.2 1.4 1.3  !2.262e+04
assign (resid 64 and name HB ) (resid 64 and name HG2# ) 2.6 0.8 0.9  !5.612e+04
assign (resid 64 and name HD1# ) (resid 12 and name HE# ) 2.6 0.8 1.4  !4.860e+04
assign (resid 64 and name HD1# ) (resid 12 and name HZ ) 3.2 1.4 1.3  !2.845e+04
assign (resid 64 and name HD1# ) (resid 25 and name HG2# ) 2.6 0.8 1.4  !3.611e+04
assign (resid 64 and name HD1# ) (resid 25 and name HN ) 4.0 2.2 3.0  !4.621e+04
assign (resid 64 and name HD1# ) (resid 26 and name HN ) 4.0 2.2 3.0  !4.719e+04
assign (resid 64 and name HD1# ) (resid 64 and name HN ) 3.2 1.4 1.3  !2.883e+05
assign (resid 64 and name HD1# ) (resid 65 and name HN ) 4.0 2.2 3.0  !8.272e+04
assign (resid 64 and name HG1#  ) (resid 25 and name HG1#  ) 3.2 1.4 1.8  !2.684e+04
assign (resid 64 and name HG1#  ) (resid 64 and name HG2# ) 2.6 0.8 1.4  !3.234e+04
assign (resid 64 and name HG1#  ) (resid 64 and name HN ) 3.2 1.4 1.3  !2.405e+05
assign (resid 64 and name HG1#  ) (resid 65 and name HN ) 4.0 2.2 3.0  !3.086e+04
assign (resid 64 and name HG2# ) (resid 12 and name HE# ) 4.0 2.2 3.5  !1.094e+04
assign (resid 64 and name HG2# ) (resid 12 and name HZ ) 4.0 2.2 3.0  !6.389e+03
assign (resid 64 and name HG2# ) (resid 25 and name HG1#  ) 4.0 2.2 3.5  !9.093e+03
assign (resid 64 and name HG2# ) (resid 64 and name HN ) 3.2 1.4 1.3  !2.232e+05
assign (resid 64 and name HG2# ) (resid 65 and name HN ) 4.0 2.2 3.0  !1.213e+05
assign (resid 65 and name HA1 ) (resid 66 and name HD# ) 4.0 2.2 3.0  !1.005e+04
assign (resid 65 and name HA2 ) (resid 66 and name HD# ) 3.2 1.4 1.3  !2.278e+04
assign (resid 66 and name HA ) (resid 62 and name HD1# ) 4.0 2.2 3.0  !1.596e+04
assign (resid 66 and name HA ) (resid 62 and name HD2# ) 4.0 2.2 3.0  !7.649e+03
assign (resid 66 and name HA ) (resid 66 and name HD# ) 4.0 2.2 3.0  !1.652e+04
assign (resid 66 and name HB2 ) (resid 66 and name HD# ) 2.6 0.8 0.9  !3.902e+04
assign (resid 66 and name HB1 ) (resid 47 and name HB# ) 4.0 2.2 3.0  !5.218e+03
assign (resid 66 and name HB1 ) (resid 66 and name HD# ) 2.6 0.8 0.9  !3.938e+04
assign (resid 66 and name HD# ) (resid 62 and name HN ) 4.0 2.2 3.0  !5.502e+04
assign (resid 66 and name HD# ) (resid 66 and name HN ) 3.2 1.4 1.3  !2.721e+05
assign (resid 66 and name HD# ) (resid 67 and name HN ) 3.2 1.4 1.3  !1.810e+05
assign (resid 66 and name HD# ) (resid 68 and name HN ) 4.0 2.2 3.0  !1.320e+04
assign (resid 67 and name HA ) (resid 62 and name HD1# ) 4.0 2.2 3.0  !4.149e+03
assign (resid 67 and name HB2 ) (resid 62 and name HD1# ) 4.0 2.2 3.0  !1.357e+04
assign (resid 67 and name HG1 ) (resid 62 and name HD1# ) 4.0 2.2 3.0  !4.588e+03
assign (resid 67 and name HG1 ) (resid 69 and name HD1# ) 4.0 2.2 3.0  !1.552e+04
assign (resid 67 and name HG1 ) (resid 69 and name HD2# ) 4.0 2.2 3.0  !7.738e+03
assign (resid 67 and name HG2 ) (resid 69 and name HD1# ) 4.0 2.2 3.0  !1.019e+04
assign (resid 67 and name HG2 ) (resid 69 and name HD2# ) 2.6 0.8 0.9  !3.426e+04
assign (resid 68 and name HA ) (resid 66 and name HD# ) 4.0 2.2 3.0  !3.004e+03
assign (resid 68 and name HA ) (resid 69 and name HD2# ) 4.0 2.2 3.0  !7.421e+03
assign (resid 68 and name HA ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !2.659e+03
assign (resid 68 and name HB1 ) (resid 76 and name HD1# ) 3.2 1.4 1.3  !2.185e+04
assign (resid 68 and name HB1 ) (resid 76 and name HD2# ) 4.0 2.2 3.0  !8.775e+03
assign (resid 68 and name HB2 ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !8.887e+03
assign (resid 68 and name HB2 ) (resid 76 and name HD2# ) 4.0 2.2 3.0  !1.260e+04
assign (resid 69 and name HA ) (resid 69 and name HD1# ) 3.2 1.4 1.3  !1.983e+04
assign (resid 69 and name HA ) (resid 69 and name HD2# ) 2.6 0.8 0.9  !6.346e+04
assign (resid 69 and name HA ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !4.870e+02
assign (resid 69 and name HA ) (resid 76 and name HD2# ) 4.0 2.2 3.0  !5.152e+03
assign (resid 69 and name HB1 ) (resid 69 and name HD1# ) 2.6 0.8 0.9  !8.162e+04
assign (resid 69 and name HB1 ) (resid 69 and name HD2# ) 2.6 0.8 0.9  !4.197e+04
assign (resid 69 and name HB1 ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !5.423e+03
assign (resid 69 and name HB2 ) (resid 69 and name HD1# ) 2.6 0.8 0.9  !1.024e+05
assign (resid 69 and name HB2 ) (resid 69 and name HD2# ) 2.6 0.8 0.9  !7.540e+04
assign (resid 69 and name HD1# ) (resid 68 and name HN ) 4.0 2.2 3.0  !5.641e+04
assign (resid 69 and name HD1# ) (resid 69 and name HN ) 4.0 2.2 3.0  !1.614e+05
assign (resid 69 and name HD1# ) (resid 70 and name HN ) 3.2 1.4 1.3  !2.098e+05
assign (resid 69 and name HD2# ) (resid 68 and name HN ) 4.0 2.2 3.0  !2.383e+04
assign (resid 69 and name HD2# ) (resid 69 and name HN ) 4.0 2.2 3.0  !1.637e+05
assign (resid 69 and name HD2# ) (resid 70 and name HN ) 3.2 1.4 1.3  !2.445e+05
assign (resid 69 and name HD2# ) (resid 76 and name HD1# ) 4.0 2.2 3.5  !2.191e+03
assign (resid 71 and name HB1 ) (resid 74 and name HD# ) 4.0 2.2 3.0  !8.624e+03
assign (resid 71 and name HB1 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !5.711e+03
assign (resid 71 and name HB2 ) (resid 74 and name HD# ) 4.0 2.2 3.0  !1.348e+04
assign (resid 71 and name HB2 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !1.027e+04
assign (resid 71 and name HG1 ) (resid 74 and name HD# ) 3.2 1.4 1.3  !1.962e+04
assign (resid 71 and name HG1 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !3.926e+03
assign (resid 71 and name HG2 ) (resid 74 and name HD# ) 3.2 1.4 1.3  !2.160e+04
assign (resid 71 and name HG2 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !6.970e+03
assign (resid 72 and name HB# ) (resid 72 and name HN ) 2.6 0.8 0.9  !7.808e+05
assign (resid 72 and name HB# ) (resid 73 and name HN ) 3.2 1.4 1.3  !2.366e+05
assign (resid 72 and name HB# ) (resid 74 and name HN ) 4.0 2.2 3.0  !1.362e+05
assign (resid 74 and name HA ) (resid 74 and name HD# ) 4.0 2.2 3.0  !1.459e+04
assign (resid 74 and name HA ) (resid 74 and name HE# ) 4.0 2.2 3.0  !6.479e+03
assign (resid 74 and name HB1 ) (resid 74 and name HD# ) 4.0 2.2 3.0  !1.338e+04
assign (resid 74 and name HB1 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !2.782e+03
assign (resid 74 and name HB2 ) (resid 74 and name HD# ) 3.2 1.4 1.3  !1.896e+04
assign (resid 74 and name HB2 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !7.072e+03
assign (resid 74 and name HD# ) (resid 70 and name HN ) 4.0 2.2 3.0  !7.998e+03
assign (resid 74 and name HD# ) (resid 72 and name HN ) 4.0 2.2 3.0  !1.069e+04
assign (resid 74 and name HD# ) (resid 73 and name HN ) 4.0 2.2 3.0  !1.561e+04
assign (resid 74 and name HD# ) (resid 74 and name HN ) 4.0 2.2 3.0  !1.675e+05
assign (resid 74 and name HD# ) (resid 75 and name HN ) 4.0 2.2 3.0  !3.353e+04
assign (resid 74 and name HD# ) (resid 83 and name HN ) 4.0 2.2 3.0  !2.684e+04
assign (resid 74 and name HE# ) (resid 74 and name HN ) 4.0 2.2 3.0  !3.840e+04
assign (resid 75 and name HA ) (resid 75 and name HG# ) 4.0 2.2 3.0  !1.250e+04
assign (resid 75 and name HG# ) (resid 75 and name HB1 ) 2.6 0.8 0.9  !1.876e+05
assign (resid 75 and name HG# ) (resid 75 and name HB2 ) 2.6 0.8 0.9  !1.501e+05
assign (resid 75 and name HG# ) (resid 75 and name HE21 ) 4.0 2.2 3.0  !6.974e+04
assign (resid 75 and name HG# ) (resid 75 and name HE22 ) 4.0 2.2 3.0  !3.793e+04
assign (resid 75 and name HG# ) (resid 75 and name HN ) 3.2 1.4 1.3  !2.103e+05
assign (resid 75 and name HG# ) (resid 76 and name HN ) 4.0 2.2 3.0  !9.471e+04
assign (resid 76 and name HA ) (resid 76 and name HD1# ) 2.6 0.8 0.9  !4.708e+04
assign (resid 76 and name HA ) (resid 76 and name HD2# ) 4.0 2.2 3.0  !1.273e+04
!assign (resid 76 and name HA ) (resid 77 and name HG#  ) 4.0 2.2 3.0  !1.681e+04
assign (resid 76 and name HA ) (resid 77 and name HG#  ) 4.0 2.2 3.5
assign (resid 76 and name HB1 ) (resid 76 and name HD1# ) 3.2 1.4 1.3  !2.445e+04
assign (resid 76 and name HB1 ) (resid 76 and name HD1# ) 3.2 1.4 1.3  !2.993e+04
assign (resid 76 and name HB1 ) (resid 76 and name HD2# ) 2.6 0.8 0.9  !4.313e+04
assign (resid 76 and name HB2 ) (resid 76 and name HD2# ) 2.6 0.8 0.9  !3.738e+04
assign (resid 76 and name HD1# ) (resid 56 and name HN ) 4.0 2.2 3.0  !8.112e+03
assign (resid 76 and name HD1# ) (resid 68 and name HN ) 4.0 2.2 3.0  !8.394e+04
assign (resid 76 and name HD1# ) (resid 69 and name HN ) 4.0 2.2 3.0  !3.630e+04
assign (resid 76 and name HD1# ) (resid 70 and name HN ) 4.0 2.2 3.0  !3.819e+04
!assign (resid 76 and name HD1# ) (resid 74 and name HD# ) 4.0 2.2 3.5  !1.125e+03
assign (resid 76 and name HD1# ) (resid 76 and name HN ) 4.0 2.2 3.0  !1.213e+05
assign (resid 76 and name HD1# ) (resid 77 and name HN ) 4.0 2.2 3.0  !1.359e+05
assign (resid 76 and name HD1# ) (resid 78 and name HN ) 4.0 2.2 3.0  !1.271e+04
assign (resid 76 and name HD1# ) (resid 79 and name HN ) 4.0 2.2 3.0  !3.939e+04
assign (resid 76 and name HD1# ) (resid 80 and name HN ) 4.0 2.2 3.0  !1.017e+05
assign (resid 76 and name HD1# ) (resid 81 and name HN ) 4.0 2.2 3.0  !1.265e+05
assign (resid 76 and name HD1# ) (resid 82 and name HN ) 4.0 2.2 3.0  !4.951e+04
assign (resid 76 and name HD1# ) (resid 83 and name HN ) 4.0 2.2 3.0  !3.582e+04
assign (resid 76 and name HD2# ) (resid 68 and name HN ) 4.0 2.2 3.0  !5.931e+04
!assign (resid 76 and name HD2# ) (resid 74 and name HD# ) 4.0 2.2 3.5  !1.867e+03
assign (resid 76 and name HD2# ) (resid 76 and name HD1# ) 2.6 0.8 1.4  !7.874e+04
assign (resid 76 and name HD2# ) (resid 76 and name HN ) 3.2 1.4 1.3  !1.728e+05
assign (resid 76 and name HD2# ) (resid 77 and name HN ) 4.0 2.2 3.0  !5.185e+04
assign (resid 76 and name HD2# ) (resid 78 and name HN ) 4.0 2.2 3.0  !6.250e+04
assign (resid 76 and name HD2# ) (resid 79 and name HN ) 4.0 2.2 3.0  !1.029e+05
assign (resid 76 and name HD2# ) (resid 80 and name HN ) 4.0 2.2 3.0  !5.643e+04
assign (resid 76 and name HD2# ) (resid 81 and name HN ) 4.0 2.2 3.0  !4.767e+04
assign (resid 76 and name HD2# ) (resid 82 and name HN ) 4.0 2.2 3.0  !9.673e+03
assign (resid 76 and name HD2# ) (resid 83 and name HN ) 4.0 2.2 3.0  !1.000e+04
assign (resid 76 and name HG ) (resid 76 and name HD1# ) 2.6 0.8 0.9  !4.766e+04
assign (resid 76 and name HG ) (resid 76 and name HD2# ) 2.6 0.8 0.9  !4.289e+04
!assign (resid 77 and name HA ) (resid 77 and name HG#  ) 2.6 0.8 0.9  !7.438e+04
assign (resid 77 and name HA ) (resid 77 and name HG#  ) 2.6 0.8 1.4
assign (resid 77 and name HB ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !3.626e+03
!assign (resid 77 and name HB ) (resid 77 and name HG#  ) 2.6 0.8 0.9  !1.290e+05
assign (resid 77 and name HB ) (resid 77 and name HG#  ) 2.6 0.8 1.4
!assign (resid 77 and name HG#  ) (resid 75 and name HE21 ) 4.0 2.2 3.0  !1.059e+04
assign (resid 77 and name HG#  ) (resid 75 and name HE21 ) 4.0 2.2 3.5
!assign (resid 77 and name HG#  ) (resid 75 and name HN ) 4.0 2.2 3.0  !1.992e+04
assign (resid 77 and name HG#  ) (resid 75 and name HN ) 4.0 2.2 3.5
!assign (resid 77 and name HG#  ) (resid 76 and name HD1# ) 4.0 2.2 3.5  !3.647e+03
assign (resid 77 and name HG#  ) (resid 76 and name HD1# ) 4.0 2.2 4.0
!assign (resid 77 and name HG#  ) (resid 76 and name HN ) 4.0 2.2 3.0  !5.288e+04
assign (resid 77 and name HG#  ) (resid 76 and name HN ) 4.0 2.2 3.5
!assign (resid 77 and name HG#  ) (resid 77 and name HN ) 3.2 1.4 1.3  !2.379e+05
assign (resid 77 and name HG#  ) (resid 77 and name HN ) 3.2 1.4 1.8
!assign (resid 77 and name HG#  ) (resid 78 and name HN ) 2.6 0.8 0.9  !3.695e+05
assign (resid 77 and name HG#  ) (resid 78 and name HN ) 2.6 0.8 1.4
!assign (resid 77 and name HG#  ) (resid 79 and name HN ) 4.0 2.2 3.0  !4.644e+04
assign (resid 77 and name HG#  ) (resid 79 and name HN ) 4.0 2.2 3.5
!assign (resid 77 and name HG#  ) (resid 80 and name HN ) 4.0 2.2 3.0  !3.215e+04
assign (resid 77 and name HG#  ) (resid 80 and name HN ) 4.0 2.2 3.5
!assign (resid 77 and name HG#  ) (resid 81 and name HN ) 4.0 2.2 3.0  !7.736e+04
assign (resid 77 and name HG#  ) (resid 81 and name HN ) 4.0 2.2 3.5
!assign (resid 77 and name HG#  ) (resid 82 and name HN ) 4.0 2.2 3.0  !3.615e+04
assign (resid 77 and name HG#  ) (resid 82 and name HN ) 4.0 2.2 3.5
assign (resid 78 and name HA ) (resid 79 and name HG# ) 4.0 2.2 3.0  !1.060e+04
assign (resid 78 and name HB# ) (resid 77 and name HN ) 4.0 2.2 3.0  !1.194e+04
assign (resid 78 and name HB# ) (resid 78 and name HN ) 3.2 1.4 1.3  !2.544e+05
assign (resid 78 and name HB# ) (resid 79 and name HN ) 4.0 2.2 3.0  !1.030e+05
assign (resid 78 and name HB# ) (resid 80 and name HN ) 4.0 2.2 3.0  !1.099e+05
assign (resid 78 and name HB# ) (resid 81 and name HN ) 4.0 2.2 3.0  !7.436e+04
assign (resid 79 and name HA ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !9.776e+03
assign (resid 79 and name HA ) (resid 76 and name HD2# ) 3.2 1.4 1.3  !2.890e+04
assign (resid 79 and name HA ) (resid 78 and name HB# ) 4.0 2.2 3.0  !1.933e+03
assign (resid 79 and name HA ) (resid 79 and name HG# ) 2.6 0.8 0.9  !3.830e+04
assign (resid 79 and name HG# ) (resid 78 and name HN ) 4.0 2.2 3.0  !2.471e+04
assign (resid 79 and name HG# ) (resid 79 and name HE21 ) 4.0 2.2 3.0  !4.069e+04
assign (resid 79 and name HG# ) (resid 79 and name HE22 ) 4.0 2.2 3.0  !1.898e+04
assign (resid 79 and name HG# ) (resid 79 and name HN ) 3.2 1.4 1.3  !2.554e+05
assign (resid 79 and name HG# ) (resid 80 and name HN ) 4.0 2.2 3.0  !5.312e+04
assign (resid 79 and name HG# ) (resid 81 and name HN ) 4.0 2.2 3.0  !1.855e+04
assign (resid 80 and name HA ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !8.372e+03
!assign (resid 81 and name HA ) (resid 77 and name HG#  ) 4.0 2.2 3.0  !1.325e+03
assign (resid 81 and name HA ) (resid 77 and name HG#  ) 4.0 2.2 3.5
assign (resid 81 and name HA ) (resid 81 and name HD# ) 4.0 2.2 3.0  !4.270e+03
assign (resid 81 and name HA ) (resid 81 and name HG# ) 4.0 2.2 3.0  !8.601e+03
assign (resid 81 and name HB# ) (resid 56 and name HN ) 4.0 2.2 3.0  !3.071e+04
assign (resid 81 and name HB# ) (resid 77 and name HN ) 4.0 2.2 3.0  !3.050e+04
assign (resid 81 and name HB# ) (resid 80 and name HN ) 4.0 2.2 3.0  !1.043e+05
assign (resid 81 and name HB# ) (resid 81 and name HN ) 3.2 1.4 1.3  !2.522e+05
assign (resid 81 and name HB# ) (resid 82 and name HN ) 4.0 2.2 3.0  !1.442e+05
assign (resid 81 and name HD# ) (resid 56 and name HN ) 4.0 2.2 3.0  !2.275e+04
assign (resid 81 and name HD# ) (resid 81 and name HB# ) 2.6 0.8 1.4  !3.014e+04
assign (resid 81 and name HD# ) (resid 81 and name HN ) 4.0 2.2 3.0  !5.200e+04
assign (resid 81 and name HD# ) (resid 82 and name HN ) 4.0 2.2 3.0  !5.299e+04
assign (resid 81 and name HG# ) (resid 56 and name HN ) 4.0 2.2 3.0  !1.986e+04
assign (resid 81 and name HG# ) (resid 80 and name HN ) 4.0 2.2 3.0  !9.141e+04
assign (resid 81 and name HG# ) (resid 81 and name HN ) 4.0 2.2 3.0  !1.648e+05
assign (resid 81 and name HG# ) (resid 82 and name HN ) 4.0 2.2 3.0  !1.246e+05
assign (resid 82 and name HA ) (resid 76 and name HD1# ) 4.0 2.2 3.0  !7.503e+03
!assign (resid 82 and name HA ) (resid 77 and name HG#  ) 4.0 2.2 3.0  !6.836e+03
assign (resid 82 and name HA ) (resid 77 and name HG#  ) 4.0 2.2 3.5
assign (resid 82 and name HB1 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !6.956e+03
assign (resid 82 and name HB2 ) (resid 74 and name HE# ) 4.0 2.2 3.0  !4.595e+03
assign (resid 83 and name HA ) (resid 74 and name HD# ) 3.2 1.4 1.3  !2.955e+04
assign (resid 83 and name HA ) (resid 74 and name HE# ) 4.0 2.2 3.0  !1.180e+04
assign (resid 83 and name HA ) (resid 83 and name HG# ) 4.0 2.2 3.0  !1.532e+04
!assign (resid 83 and name HB1 ) (resid 77 and name HG#  ) 3.2 1.4 1.3  !2.254e+04
assign (resid 83 and name HB1 ) (resid 77 and name HG#  ) 3.2 1.4 1.8
assign (resid 83 and name HB1 ) (resid 83 and name HG# ) 2.6 0.8 0.9  !3.260e+04
!assign (resid 83 and name HB2 ) (resid 77 and name HG#  ) 2.6 0.8 0.9  !3.580e+04
assign (resid 83 and name HB2 ) (resid 77 and name HG#  ) 2.6 0.8 1.4
assign (resid 83 and name HB2 ) (resid 83 and name HG# ) 2.6 0.8 0.9  !2.020e+05
assign (resid 83 and name HG# ) (resid 83 and name HN ) 3.2 1.4 1.3  !1.832e+05
assign (resid 6 and name SG ) (resid 19 and name SG) 2.02 0.05 0.05
assign (resid 6 and name SG ) (resid 19 and name CB) 2.99  0.05 0.05
assign (resid 6 and name CB ) (resid 19 and name SG) 2.99  0.05 0.05 
!
assign (resid 14 and name SG ) (resid 32 and name SG) 2.02 0.05 0.05
assign (resid 14 and name SG ) (resid 32 and name CB) 2.99  0.05 0.05
assign (resid 14 and name CB ) (resid 32 and name SG) 2.99  0.05 0.05 
!
assign (resid 26 and name SG ) (resid 43 and name SG) 2.02 0.05 0.05
assign (resid 26 and name SG ) (resid 43 and name CB) 2.99  0.05 0.05
assign (resid 26 and name CB ) (resid 43 and name SG) 2.99  0.05 0.05 
!
assign (resid 48 and name SG ) (resid 59 and name SG) 2.02 0.05 0.05
assign (resid 48 and name SG ) (resid 59 and name CB) 2.99  0.05 0.05
assign (resid 48 and name CB ) (resid 59 and name SG) 2.99  0.05 0.05 
!
assign (resid 55 and name SG ) (resid 68 and name SG) 2.02 0.05 0.05
assign (resid 55 and name SG ) (resid 68 and name CB) 2.99  0.05 0.05
assign (resid 55 and name CB ) (resid 68 and name SG) 2.99  0.05 0.05 
!
assign (resid 70 and name SG ) (resid 82 and name SG) 2.02 0.05 0.05
assign (resid 70 and name SG ) (resid 82 and name CB) 2.99  0.05 0.05
assign (resid 70 and name CB ) (resid 82 and name SG) 2.99  0.05 0.05 
!! calcium constraints
! by analogy with lr5
! (K24 -CO; A29-CO;) ( D31-OD; E38-OE); ( N27-OD1; D -OD)
assign (resid  24 and name  O)   (resid  100 and resname  CA2)   2.5  0.8  0.3
!assign (resid  29 and name  O)   (resid  100 and resname  CA2)   2.5  0.8  0.3
assign (resid  31 and name  OD1 or resid 31 and name OD2)   (resid  100 and resname  CA2)   2.5  0.8  0.3
assign (resid  38 and name  OE1 or resid 38 and name OE2)   (resid  100 and resname  CA2)   2.5  0.8  0.3
assign (resid  27 and name  OD1)   (resid  100 and resname  CA2)   2.5  0.8  0.3
assign (resid  37 and name  OD1 or resid 37 and name OD2)   (resid  100 and resname  CA2)   2.5  0.8  0.3
!! calcium constraints
!L62-O; D61-OD#; T45-OG1;E47-OE#
assign (resid  62 and name  O)   (resid  200 and resname  CA2) 2.5  0.8  0.3
assign (resid  61 and name  OD1 or resid 61 and name OD2)   (resid  200 and resname  CA2)   2.5  0.8  0.3
assign (resid  45 and name  OG1)   (resid  200 and resname  CA2)   2.5  0.8  0.3
assign (resid  47 and name  OE1 or resid 47 and name OE2)   (resid  200 and resname  CA2)   2.5  0.8  0.3
assign (resid 12  and name HN) (resid 20 and name O)  1.8 0.3 0.5
assign (resid 12  and name N) (resid 20 and name O)   2.8 0.4 0.5
assign (resid 14  and name HN) (resid 18 and name O)  1.8 0.3 0.5
assign (resid 14  and name N) (resid 18 and name O)  2.8 0.4 0.5
assign (resid 20  and name HN) (resid 12 and name O)  1.8 0.3 0.5
assign (resid 20  and name N) (resid 12 and name O) 2.8 0.4 0.5
assign (resid 60  and name HN) (resid 67 and name O)  1.8 0.3 0.5
assign (resid 60  and name N) (resid 67 and name O)   2.8 0.4 0.5
assign (resid 62  and name HN) (resid 65 and name O)  1.8 0.3 0.5
assign (resid 62  and name N) (resid 65 and name O)   2.8 0.4 0.5
assign (resid 67  and name HN) (resid 60 and name O)  1.8 0.3 0.5
assign (resid 67  and name N) (resid 60 and name O)   2.8 0.4 0.5
assign (resid 69  and name HN) (resid 58 and name O)  1.8 0.3 0.5
assign (resid 69  and name N) (resid 58 and name O)   2.8 0.4 0.5
!assign (resid 83  and name HN) (resid 75 and name O)  1.8 0.3 0.5
!assign (resid 83  and name N) (resid 75 and name O)  2.8 0.4 0.5
!assign (resid 77  and name HN) (resid 81 and name O)  1.8 0.3 0.5
!assign (resid 77  and name N) (resid 81 and name O)  2.8 0.4 0.5

!res2  N
!comment 9  Good
assign (resid 1 and name c ) (resid 2 and name n )
       (resid 2 and name ca ) (resid 2 and name c )     1.0 -90.640  42.255  2
assign (resid 2 and name n ) (resid 2 and name ca )
       (resid 2 and name c ) (resid 3 and name n)     1.0 141.250  12.96  2
!res3  V
!comment 9  Good
assign (resid 2 and name c ) (resid 3 and name n )
       (resid 3 and name ca ) (resid 3 and name c )     1.0 -101.320  22.995  2
assign (resid 3 and name n ) (resid 3 and name ca )
       (resid 3 and name c ) (resid 4 and name n)     1.0 124.040  27.285  2
!res4  T
!comment 9  Good
assign (resid 3 and name c ) (resid 4 and name n )
       (resid 4 and name ca ) (resid 4 and name c )     1.0 -97.340  32.58  2
assign (resid 4 and name n ) (resid 4 and name ca )
       (resid 4 and name c ) (resid 5 and name n)     1.0 123.120  25.5  2
!res7  E
!comment 9  Good
assign (resid 6 and name c ) (resid 7 and name n )
       (resid 7 and name ca ) (resid 7 and name c )     1.0 -103.340  35.16  2
assign (resid 7 and name n ) (resid 7 and name ca )
       (resid 7 and name c ) (resid 8 and name n)     1.0 146.120  34.995  2
!res11  K
!comment 10  Good
assign (resid 10 and name c ) (resid 11 and name n )
       (resid 11 and name ca ) (resid 11 and name c )     1.0 -117.660  40.125  2
assign (resid 11 and name n ) (resid 11 and name ca )
       (resid 11 and name c ) (resid 12 and name n)     1.0 139.730  25.095  2
!res12  F
!comment 10  Good
assign (resid 11 and name c ) (resid 12 and name n )
       (resid 12 and name ca ) (resid 12 and name c )     1.0 -122.610  36.54  2
assign (resid 12 and name n ) (resid 12 and name ca )
       (resid 12 and name c ) (resid 13 and name n)     1.0 117.290  23.25  2
!res13  K
!comment 10  Good
assign (resid 12 and name c ) (resid 13 and name n )
       (resid 13 and name ca ) (resid 13 and name c )     1.0 -104.080  25.17  2
assign (resid 13 and name n ) (resid 13 and name ca )
       (resid 13 and name c ) (resid 14 and name n)     1.0 129.320  28.62  2
!res16  S
!comment 10  Good
assign (resid 15 and name c ) (resid 16 and name n )
       (resid 16 and name ca ) (resid 16 and name c )     1.0 -96.900  21.855  2
assign (resid 16 and name n ) (resid 16 and name ca )
       (resid 16 and name c ) (resid 17 and name n)     1.0 8.690  15.63  2
!res20  I
!comment 10  Good
assign (resid 19 and name c ) (resid 20 and name n )
       (resid 20 and name ca ) (resid 20 and name c )     1.0 -117.420  39.24  2
assign (resid 20 and name n ) (resid 20 and name ca )
       (resid 20 and name c ) (resid 21 and name n)     1.0 149.940  25.515  2
!res21  T
!comment 9  Good
assign (resid 20 and name c ) (resid 21 and name n )
       (resid 21 and name ca ) (resid 21 and name c )     1.0 -96.240  29.82  2
assign (resid 21 and name n ) (resid 21 and name ca )
       (resid 21 and name c ) (resid 22 and name n)     1.0 163.860  20.595  2
!res22  L
!comment 10  Good
assign (resid 21 and name c ) (resid 22 and name n )
       (resid 22 and name ca ) (resid 22 and name c )     1.0 -65.970  10.02  2
assign (resid 22 and name n ) (resid 22 and name ca )
       (resid 22 and name c ) (resid 23 and name n)     1.0 -23.650  13.185  2
!res23  D
!comment 9  New
assign (resid 22 and name c ) (resid 23 and name n )
       (resid 23 and name ca ) (resid 23 and name c )     1.0 -68.090  16.23  2
!assign (resid 23 and name n ) (resid 23 and name ca )
!       (resid 23 and name c ) (resid 24 and name n)     1.0 -27.760  14.85  2
!res25  V
!comment 9  New
assign (resid 24 and name c ) (resid 25 and name n )
       (resid 25 and name ca ) (resid 25 and name c )     1.0 -86.530  26.415  2
assign (resid 25 and name n ) (resid 25 and name ca )
       (resid 25 and name c ) (resid 26 and name n)     1.0 121.670  17.28  2
!res26  C
!comment 9  New
!assign (resid 25 and name c ) (resid 26 and name n )
!       (resid 26 and name ca ) (resid 26 and name c )     1.0 -110.610  23.805  2
!assign (resid 26 and name n ) (resid 26 and name ca )
!       (resid 26 and name c ) (resid 27 and name n)     1.0 139.260  23.55  2
!res27  N
!comment 9  Good
assign (resid 26 and name c ) (resid 27 and name n )
       (resid 27 and name ca ) (resid 27 and name c )     1.0 -92.240  35.49  2
assign (resid 27 and name n ) (resid 27 and name ca )
       (resid 27 and name c ) (resid 28 and name n)     1.0 150.200  31.635  2
!res29  A
!comment 9  New
assign (resid 28 and name c ) (resid 29 and name n )
       (resid 29 and name ca ) (resid 29 and name c )     1.0 -100.440  28.44  2
assign (resid 29 and name n ) (resid 29 and name ca )
       (resid 29 and name c ) (resid 30 and name n)     1.0 138.890  31.14  2
!res30  R
!comment 9  Good
assign (resid 29 and name c ) (resid 30 and name n )
       (resid 30 and name ca ) (resid 30 and name c )     1.0 -70.880  21.435  2
assign (resid 30 and name n ) (resid 30 and name ca )
       (resid 30 and name c ) (resid 31 and name n)     1.0 127.280  13.35  2
!res36  S
!comment 9  Good
assign (resid 35 and name c ) (resid 36 and name n )
       (resid 36 and name ca ) (resid 36 and name c )     1.0 -82.280  35.535  2
assign (resid 36 and name n ) (resid 36 and name ca )
       (resid 36 and name c ) (resid 37 and name n)     1.0 -23.730  32.955  2
!res38  E
!comment 10  Good
assign (resid 37 and name c ) (resid 38 and name n )
       (resid 38 and name ca ) (resid 38 and name c )     1.0 -114.100  25.275  2
!assign (resid 38 and name n ) (resid 38 and name ca )
!       (resid 38 and name c ) (resid 39 and name n)     1.0 132.220  43.185  2
!res40  I
!comment 10  Good
assign (resid 39 and name c ) (resid 40 and name n )
       (resid 40 and name ca ) (resid 40 and name c )     1.0 -68.520  16.41  2
assign (resid 40 and name n ) (resid 40 and name ca )
       (resid 40 and name c ) (resid 41 and name n)     1.0 -23.860  19.335  2
!res41  K
!comment 10  Good
assign (resid 40 and name c ) (resid 41 and name n )
       (resid 41 and name ca ) (resid 41 and name c )     1.0 -66.000  12.9  2
assign (resid 41 and name n ) (resid 41 and name ca )
       (resid 41 and name c ) (resid 42 and name n)     1.0 -36.460  9.15  2
!res42  E
!comment 10  Good
assign (resid 41 and name c ) (resid 42 and name n )
       (resid 42 and name ca ) (resid 42 and name c )     1.0 -73.760  26.37  2
assign (resid 42 and name n ) (resid 42 and name ca )
       (resid 42 and name c ) (resid 43 and name n)     1.0 -25.790  24.87  2
!res45  T
!comment 10  Good
assign (resid 44 and name c ) (resid 45 and name n )
       (resid 45 and name ca ) (resid 45 and name c )     1.0 -98.460  31.11  2
assign (resid 45 and name n ) (resid 45 and name ca )
       (resid 45 and name c ) (resid 46 and name n)     1.0 125.740  23.235  2
!res46  N
!comment 10  Good
assign (resid 45 and name c ) (resid 46 and name n )
       (resid 46 and name ca ) (resid 46 and name c )     1.0 -93.740  37.35  2
!assign (resid 46 and name n ) (resid 46 and name ca )
!       (resid 46 and name c ) (resid 47 and name n)     1.0 127.940  45.015  2
!res52  N
!comment 10  Good
assign (resid 51 and name c ) (resid 52 and name n )
       (resid 52 and name ca ) (resid 52 and name c )     1.0 -81.850  26.355  2
assign (resid 52 and name n ) (resid 52 and name ca )
       (resid 52 and name c ) (resid 53 and name n)     1.0 -15.250  24.735  2
!res59  C
!comment 9  New
assign (resid 58 and name c ) (resid 59 and name n )
       (resid 59 and name ca ) (resid 59 and name c )     1.0 -116.530  42.6  2
assign (resid 59 and name n ) (resid 59 and name ca )
       (resid 59 and name c ) (resid 60 and name n)     1.0 121.190  21.87  2
!res60  N
!comment 10  Good
assign (resid 59 and name c ) (resid 60 and name n )
       (resid 60 and name ca ) (resid 60 and name c )     1.0 -109.190  23.49  2
assign (resid 60 and name n ) (resid 60 and name ca )
       (resid 60 and name c ) (resid 61 and name n)     1.0 132.870  28.29  2
!res61  D
!comment 10  Good
assign (resid 60 and name c ) (resid 61 and name n )
       (resid 61 and name ca ) (resid 61 and name c )     1.0 -78.160  23.955  2
assign (resid 61 and name n ) (resid 61 and name ca )
       (resid 61 and name c ) (resid 62 and name n)     1.0 134.120  23.475  2
!res62  L
!comment 9  New
assign (resid 61 and name c ) (resid 62 and name n )
       (resid 62 and name ca ) (resid 62 and name c )     1.0 -104.580  27.345  2
assign (resid 62 and name n ) (resid 62 and name ca )
       (resid 62 and name c ) (resid 63 and name n)     1.0 155.510  45.585  2
!res64  I
!comment 10  Good
assign (resid 63 and name c ) (resid 64 and name n )
       (resid 64 and name ca ) (resid 64 and name c )     1.0 -100.070  18.975  2
assign (resid 64 and name n ) (resid 64 and name ca )
       (resid 64 and name c ) (resid 65 and name n)     1.0 6.600  21.78  2
!res66  Y
!comment 9  Good
assign (resid 65 and name c ) (resid 66 and name n )
       (resid 66 and name ca ) (resid 66 and name c )     1.0 -111.310  33.405  2
assign (resid 66 and name n ) (resid 66 and name ca )
       (resid 66 and name c ) (resid 67 and name n)     1.0 141.740  30.495  2
!res67  E
!comment 10  Good
assign (resid 66 and name c ) (resid 67 and name n )
       (resid 67 and name ca ) (resid 67 and name c )     1.0 -131.460  35.685  2
assign (resid 67 and name n ) (resid 67 and name ca )
       (resid 67 and name c ) (resid 68 and name n)     1.0 154.190  21.3  2
!res68  C
!comment 10  Good
assign (resid 67 and name c ) (resid 68 and name n )
       (resid 68 and name ca ) (resid 68 and name c )     1.0 -117.620  19.245  2
assign (resid 68 and name n ) (resid 68 and name ca )
       (resid 68 and name c ) (resid 69 and name n)     1.0 142.320  25.455  2
!res69  L
!comment 10  Good
assign (resid 68 and name c ) (resid 69 and name n )
       (resid 69 and name ca ) (resid 69 and name c )     1.0 -130.070  25.125  2
assign (resid 69 and name n ) (resid 69 and name ca )
       (resid 69 and name c ) (resid 70 and name n)     1.0 141.670  43.185  2
!res74  F
!comment 9  Good
assign (resid 73 and name c ) (resid 74 and name n )
       (resid 74 and name ca ) (resid 74 and name c )     1.0 -108.530  39.465  2
assign (resid 74 and name n ) (resid 74 and name ca )
       (resid 74 and name c ) (resid 75 and name n)     1.0 143.970  23.445  2
!res75  Q
!comment 10  Good
assign (resid 74 and name c ) (resid 75 and name n )
       (resid 75 and name ca ) (resid 75 and name c )     1.0 -121.450  26.76  2
assign (resid 75 and name n ) (resid 75 and name ca )
       (resid 75 and name c ) (resid 76 and name n)     1.0 135.950  27.045  2
!res76  L
!comment 10  Good
assign (resid 75 and name c ) (resid 76 and name n )
       (resid 76 and name ca ) (resid 76 and name c )     1.0 -84.710  30.405  2
assign (resid 76 and name n ) (resid 76 and name ca )
       (resid 76 and name c ) (resid 77 and name n)     1.0 120.490  21.78  2
!res77  V
!comment 10  Good
assign (resid 76 and name c ) (resid 77 and name n )
       (resid 77 and name ca ) (resid 77 and name c )     1.0 -108.360  28.71  2
assign (resid 77 and name n ) (resid 77 and name ca )
       (resid 77 and name c ) (resid 78 and name n)     1.0 121.320  18.66  2
!res81  R
!comment 10  Good
assign (resid 80 and name c ) (resid 81 and name n )
       (resid 81 and name ca ) (resid 81 and name c )     1.0 -115.270  31.47  2
assign (resid 81 and name n ) (resid 81 and name ca )
       (resid 81 and name c ) (resid 82 and name n)     1.0 151.540  34.08  2
!!!added at the late step
!res33 R
!comment 8 New
assign (resid 32 and name c ) (resid 33 and name n )
       (resid 33 and name ca ) (resid 33 and name c )     1.0  -74.790  22.155  2
assign (resid 33 and name n ) (resid 33 and name ca )
       (resid 33 and name c ) (resid 34 and name n)     1.0  -25.900  18.885  2
!res18 E
!comment 8 New
assign (resid 17 and name c ) (resid 18 and name n )
       (resid 18 and name ca ) (resid 18 and name c )     1.0 -125.010  37.65  2     
assign (resid 18 and name n ) (resid 18 and name ca )
       (resid 18 and name c ) (resid 19 and name n)     1.0  155.540  34.83  2 
!res 55 C
!comment 8 New
assign (resid 54 and name c ) (resid 55 and name n )
       (resid 55 and name ca ) (resid 55 and name c )     1.0 -111.590 35.415  2 
!res32 C
!!added after aqua=> 2 families, one in disallowed region
assign (resid 31 and name c ) (resid 32 and name n )
       (resid 32 and name ca ) (resid 32 and name c )     1.0 -120.0 60.0  2
!res56 S 
!!added after aqua=> 2 families, one in disallowed region
assign (resid 55 and name c ) (resid 56 and name n )
       (resid 56 and name ca ) (resid 56 and name c )     1.0 -120.0 60.0  2
!phi from hnha
!res19 (J=9.8 Hz)
assign (resid 18 and name c ) (resid 19 and name n )
       (resid 19 and name ca ) (resid 19 and name c )     1.0 -120.0  40.0 2
!res24 (J=7.8 Hz)
assign (resid 23 and name c ) (resid 24 and name n )
       (resid 24 and name ca ) (resid 24 and name c )     1.0 -120.0  60.0 2
!res26 (J=5.4Hz)
assign (resid 25 and name c ) (resid 26 and name n )
       (resid 26 and name ca ) (resid 26 and name c )     1.0  65.0 35.0 2
!res47 (J< 5Hz)
assign (resid 46 and name c ) (resid 47 and name n )
       (resid 47 and name ca ) (resid 47 and name c )     1.0 -55.0 35.0 2
!res48 (J=5.76 Hz)
assign (resid 47 and name c ) (resid 48 and name n )
       (resid 48 and name ca ) (resid 48 and name c )     1.0 -55.0 35.0 2
!res49 (J=5.77 Hz)
assign (resid 48 and name c ) (resid 49 and name n )
       (resid 49 and name ca ) (resid 49 and name c )     1.0 -55.0 35.0 2
!res50 (J=7.12 Hz)
assign (resid 49 and name c ) (resid 50 and name n )
       (resid 50 and name ca ) (resid 50 and name c )     1.0 -120.0  60.0 2
!res57
assign (resid 56 and name c ) (resid 57 and name n )
       (resid 57 and name ca ) (resid 57 and name c )     1.0 -120.0  60.0 2
!res58 (J=8.08 Hz)
assign (resid 57 and name c ) (resid 58 and name n )
       (resid 58 and name ca ) (resid 58 and name c )     1.0 -120.0  50.0 2
!res63 (J< 5Hz)
assign (resid 62 and name c ) (resid 63 and name n )
       (resid 63 and name ca ) (resid 63 and name c )     1.0 -55.0 35.0 2
!res72 (J=4.2 Hz)
assign (resid 71 and name c ) (resid 72 and name n )
       (resid 72 and name ca ) (resid 72 and name c )     1.0 -55.0 35.0 2
!res78 (J< 5Hz)
assign (resid 77 and name c ) (resid 78 and name n )
       (resid 78 and name ca ) (resid 78 and name c )     1.0 60.0 35.0 2
!res80 (J=7.69 Hz)
assign (resid 79 and name c ) (resid 80 and name n )
       (resid 80 and name ca ) (resid 80 and name c )     1.0 -120.0  60.0 2
!res82 (J=7.2 Hz)
assign (resid 81 and name c ) (resid 82 and name n )
       (resid 82 and name ca ) (resid 82 and name c )     1.0 -120.0  60.0 2
!res83 (J=8.7 Hz)
assign (resid 82 and name c ) (resid 83 and name n )
       (resid 83 and name ca ) (resid 83 and name c )     1.0 -120.0  50.0 2
!!chi1
!n10
assign (resid 10 and name n ) (resid 10 and name ca)
       (resid 10 and name cb) (resid 10 and name cg)   1.0   60.0 30.0 2
!k13
assign (resid 13 and name n ) (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name cg)   1.0   60.0 30.0 2
!l22
assign (resid 22 and name n ) (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg)   1.0   60.0 30.0 2
!k24
assign (resid 24 and name n ) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg)   1.0   60.0 30.0 2
!c26
!assign (resid 26 and name n ) (resid 26 and name ca) 
!       (resid 26 and name cb) (resid 26 and name sg)   1.0  -60.0 30.0 2
!n27
assign (resid 27 and name n ) (resid 27 and name ca)
       (resid 27 and name cb) (resid 27 and name cg)   1.0   60.0 30.0 2
!c32
assign (resid 32 and name n ) (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name sg)   1.0  -60.0 30.0 2
!d34
assign (resid 34 and name n ) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name cg)   1.0  -60.0 30.0 2
!e38
assign (resid 38 and name n ) (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name cg)   1.0  -60.0 30.0 2
!c43
assign (resid 43 and name n ) (resid 43 and name ca) 
       (resid 43 and name cb) (resid 43 and name sg)   1.0  -60.0 30.0 2
!e47
assign (resid 47 and name n ) (resid 47 and name ca)
       (resid 47 and name cb) (resid 47 and name cg)   1.0  -60.0 30.0 2
!c48
assign (resid 48 and name n ) (resid 48 and name ca) 
       (resid 48 and name cb) (resid 48 and name sg)   1.0  -60.0 30.0 2
!n51
assign (resid 51 and name n ) (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name cg)   1.0   60.0 30.0 2
!n52
assign (resid 52 and name n ) (resid 52 and name ca)
       (resid 52 and name cb) (resid 52 and name cg)   1.0   60.0 30.0 2
!c55
assign (resid 55 and name n ) (resid 55 and name ca)
       (resid 55 and name cb) (resid 55 and name sg)   1.0  -60.0 30.0 2
!n60
!assign (resid 60 and name n ) (resid 60 and name ca)
!       (resid 60 and name cb) (resid 60 and name cg)   1.0  180.0 30.0 2
!d61
!assign (resid 61 and name n ) (resid 61 and name ca)
!       (resid 61 and name cb) (resid 61 and name cg)   1.0  -60.0 30.0 2
!y66
assign (resid 66 and name n ) (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg)   1.0   60.0 30.0 2
!c68
assign (resid 68 and name n ) (resid 68 and name ca) 
       (resid 68 and name cb) (resid 68 and name sg)   1.0  -60.0 30.0 2
!c70
!assign (resid 70 and name n ) (resid 70 and name ca)
!       (resid 70 and name cb) (resid 70 and name sg)   1.0  -60.0 30.0 2
!l76
assign (resid 76 and name n ) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name cg)   1.0  180.0 30.0 2
!q79
assign (resid 79 and name n ) (resid 79 and name ca) 
       (resid 79 and name cb) (resid 79 and name cg)   1.0  -60.0 30.0 2
!r80
assign (resid 80 and name n ) (resid 80 and name ca) 
       (resid 80 and name cb) (resid 80 and name cg)   1.0  -60.0 30.0 2
!c82
assign (resid 82 and name n ) (resid 82 and name ca) 
       (resid 82 and name cb) (resid 82 and name sg)   1.0  -60.0 30.0 2
!!!
!!chi2
!n10
!assign (resid 10 and name ca ) (resid 10 and name cb)
!       (resid 10 and name cg ) (resid 10 and name od1)   1.0  180.0 60.0 2
!n27
assign (resid 27 and name ca ) (resid 27 and name cb)
       (resid 27 and name cg ) (resid 27 and name od1)   1.0 -60.0 60.0 2
!n46
!assign (resid 46 and name ca ) (resid 46 and name cb)
!       (resid 46 and name cg ) (resid 46 and name od1)   1.0  60.0 60.0 2 
!n51
assign (resid 51 and name ca ) (resid 51 and name cb)
       (resid 51 and name cg ) (resid 51 and name od1)   1.0  -60.0 60.0 2
!n52
assign (resid 52 and name ca ) (resid 52 and name cb)
       (resid 52 and name cg ) (resid 52 and name od1)   1.0 -100.0 50.0 2
!n60
!assign (resid 60 and name ca ) (resid 60 and name cb)
!       (resid 60 and name cg ) (resid 60 and name od1)   1.0 -100.0 50.0 2

 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1 111.213  20.036  20.484
    2   2H    GLY   1           HT2      GLY   1 110.780  19.746  22.094
    3   3H    GLY   1           HT3      GLY   1 110.351  18.637  20.890
    4   1HA   GLY   1          HA1       GLY   1 113.177  19.289  21.459
    5   2HA   GLY   1          HA2       GLY   1 112.323  18.051  22.367
    6    H    ASN   2           HN       ASN   2 111.061  16.484  20.847
    7    HA   ASN   2           HA       ASN   2 112.954  15.061  19.352
    8   1HB   ASN   2          HB2       ASN   2 109.939  14.870  19.167
    9   2HB   ASN   2          HB1       ASN   2 111.094  13.644  18.653
   10   1HD2  ASN   2          HD21      ASN   2 109.589  15.213  21.360
   11   2HD2  ASN   2          HD22      ASN   2 110.073  14.063  22.555
   12    H    VAL   3           HN       VAL   3 113.073  14.638  17.095
   13    HA   VAL   3           HA       VAL   3 111.946  16.775  15.405
   14    HB   VAL   3           HB       VAL   3 114.011  16.558  13.993
   15   1HG1  VAL   3          HG11      VAL   3 114.906  17.409  16.698
   16   2HG1  VAL   3          HG12      VAL   3 113.527  18.234  15.971
   17   3HG1  VAL   3          HG13      VAL   3 115.083  18.218  15.141
   18   1HG2  VAL   3          HG21      VAL   3 115.798  15.279  14.575
   19   2HG2  VAL   3          HG22      VAL   3 114.529  14.304  15.317
   20   3HG2  VAL   3          HG23      VAL   3 115.477  15.419  16.303
   21    H    THR   4           HN       THR   4 111.309  16.215  13.323
   22    HA   THR   4           HA       THR   4 110.516  13.475  12.990
   23    HB   THR   4           HB       THR   4 109.753  14.463  10.684
   24    HG1  THR   4           HG1      THR   4 110.540  16.412  10.497
   25   1HG2  THR   4          HG21      THR   4 108.525  15.466  13.240
   26   2HG2  THR   4          HG22      THR   4 108.188  13.916  12.468
   27   3HG2  THR   4          HG23      THR   4 107.750  15.420  11.657
   28    H    LEU   5           HN       LEU   5 112.242  12.156  12.640
   29    HA   LEU   5           HA       LEU   5 113.406  12.183  10.023
   30   1HB   LEU   5          HB2       LEU   5 114.756  13.728  11.792
   31   2HB   LEU   5          HB1       LEU   5 115.528  12.179  12.078
   32    HG   LEU   5           HG       LEU   5 116.721  13.592  10.425
   33   1HD1  LEU   5          HD11      LEU   5 116.321  10.906  10.392
   34   2HD1  LEU   5          HD12      LEU   5 117.448  11.768   9.344
   35   3HD1  LEU   5          HD13      LEU   5 115.839  11.351   8.754
   36   1HD2  LEU   5          HD21      LEU   5 115.818  14.162   8.352
   37   2HD2  LEU   5          HD22      LEU   5 114.506  14.492   9.483
   38   3HD2  LEU   5          HD23      LEU   5 114.483  13.020   8.512
   39    H    CYS   6           HN       CYS   6 114.373  10.214   9.477
   40    HA   CYS   6           HA       CYS   6 113.399   7.938  10.764
   41   1HB   CYS   6          HB2       CYS   6 115.715   8.236   8.843
   42   2HB   CYS   6          HB1       CYS   6 115.027   6.691   9.328
   43    H    GLU   7           HN       GLU   7 114.152   6.628  12.333
   44    HA   GLU   7           HA       GLU   7 116.864   7.102  13.361
   45   1HB   GLU   7          HB2       GLU   7 114.298   6.994  14.939
   46   2HB   GLU   7          HB1       GLU   7 115.870   6.730  15.682
   47   1HG   GLU   7          HG2       GLU   7 115.674   9.160  14.055
   48   2HG   GLU   7          HG1       GLU   7 114.634   9.130  15.478
   49    H    GLY   8           HN       GLY   8 117.885   5.316  14.303
   50   1HA   GLY   8          HA2       GLY   8 117.554   3.007  15.197
   51   2HA   GLY   8          HA1       GLY   8 116.532   2.738  13.791
   52    HA   PRO   9           HA       PRO   9 121.209   1.969  12.956
   53   1HB   PRO   9          HB2       PRO   9 121.440  -0.670  13.537
   54   2HB   PRO   9          HB1       PRO   9 121.771   0.604  14.715
   55   1HG   PRO   9          HG2       PRO   9 119.314  -1.071  14.376
   56   2HG   PRO   9          HG1       PRO   9 120.150  -0.596  15.866
   57   1HD   PRO   9          HD2       PRO   9 117.906   0.645  14.986
   58   2HD   PRO   9          HD1       PRO   9 119.172   1.489  15.900
   59    H    ASN  10           HN       ASN  10 118.290   0.098  12.440
   60    HA   ASN  10           HA       ASN  10 119.314  -0.879   9.873
   61   1HB   ASN  10          HB2       ASN  10 117.243  -2.291   9.879
   62   2HB   ASN  10          HB1       ASN  10 118.332  -2.605  11.228
   63   1HD2  ASN  10          HD21      ASN  10 115.193  -1.836  10.302
   64   2HD2  ASN  10          HD22      ASN  10 114.547  -1.488  11.866
   65    H    LYS  11           HN       LYS  11 118.653   1.905  10.219
   66    HA   LYS  11           HA       LYS  11 116.122   2.265   8.835
   67   1HB   LYS  11          HB2       LYS  11 116.508   4.651   9.140
   68   2HB   LYS  11          HB1       LYS  11 116.729   3.796  10.660
   69   1HG   LYS  11          HG2       LYS  11 118.605   5.002  10.805
   70   2HG   LYS  11          HG1       LYS  11 119.262   3.797   9.696
   71   1HD   LYS  11          HD2       LYS  11 118.127   5.468   7.927
   72   2HD   LYS  11          HD1       LYS  11 118.504   6.613   9.215
   73   1HE   LYS  11          HE2       LYS  11 120.452   4.732   7.885
   74   2HE   LYS  11          HE1       LYS  11 120.325   6.467   7.594
   75   1HZ   LYS  11          HZ1       LYS  11 120.700   5.648  10.360
   76   2HZ   LYS  11          HZ2       LYS  11 121.364   6.956   9.519
   77   3HZ   LYS  11          HZ3       LYS  11 122.020   5.408   9.330
   78    H    PHE  12           HN       PHE  12 115.958   3.492   6.863
   79    HA   PHE  12           HA       PHE  12 118.295   3.936   5.253
   80   1HB   PHE  12          HB2       PHE  12 117.858   1.458   5.034
   81   2HB   PHE  12          HB1       PHE  12 116.326   1.868   4.270
   82    HD1  PHE  12           HD1      PHE  12 116.515   3.541   2.248
   83    HD2  PHE  12           HD2      PHE  12 119.696   1.113   3.698
   84    HE1  PHE  12           HE1      PHE  12 117.649   3.732   0.073
   85    HE2  PHE  12           HE2      PHE  12 120.835   1.299   1.525
   86    HZ   PHE  12           HZ       PHE  12 119.810   2.611  -0.291
   87    H    LYS  13           HN       LYS  13 117.908   5.353   3.582
   88    HA   LYS  13           HA       LYS  13 115.133   6.309   3.345
   89   1HB   LYS  13          HB2       LYS  13 116.270   8.457   2.524
   90   2HB   LYS  13          HB1       LYS  13 116.365   8.095   4.242
   91   1HG   LYS  13          HG2       LYS  13 118.629   7.159   3.871
   92   2HG   LYS  13          HG1       LYS  13 118.523   7.673   2.185
   93   1HD   LYS  13          HD2       LYS  13 118.095   9.621   4.425
   94   2HD   LYS  13          HD1       LYS  13 119.722   9.211   3.876
   95   1HE   LYS  13          HE2       LYS  13 118.476   9.705   1.515
   96   2HE   LYS  13          HE1       LYS  13 117.637  10.828   2.584
   97   1HZ   LYS  13          HZ1       LYS  13 119.934  11.390   1.372
   98   2HZ   LYS  13          HZ2       LYS  13 120.529  10.770   2.829
   99   3HZ   LYS  13          HZ3       LYS  13 119.467  12.086   2.843
  100    H    CYS  14           HN       CYS  14 114.201   6.424   1.373
  101    HA   CYS  14           HA       CYS  14 115.659   5.225  -0.843
  102   1HB   CYS  14          HB2       CYS  14 112.939   5.244   0.017
  103   2HB   CYS  14          HB1       CYS  14 113.003   5.937  -1.600
  104    H    HIS  15           HN       HIS  15 115.309   6.155  -3.054
  105    HA   HIS  15           HA       HIS  15 116.376   8.726  -3.220
  106   1HB   HIS  15          HB2       HIS  15 116.003   6.693  -4.984
  107   2HB   HIS  15          HB1       HIS  15 114.791   7.839  -5.546
  108    HD1  HIS  15           HD1      HIS  15 116.998  10.169  -4.453
  109    HD2  HIS  15           HD2      HIS  15 117.299   7.357  -7.497
  110    HE1  HIS  15           HE1      HIS  15 118.760  11.054  -6.012
  111    HE2  HIS  15           HE2      HIS  15 118.866   9.378  -7.890
  112    H    SER  16           HN       SER  16 113.106   7.699  -2.847
  113    HA   SER  16           HA       SER  16 112.052  10.295  -3.669
  114   1HB   SER  16          HB2       SER  16 110.843   7.621  -3.084
  115   2HB   SER  16          HB1       SER  16 109.835   9.062  -2.945
  116    HG   SER  16           HG       SER  16 110.947   7.873  -5.194
  117    H    GLY  17           HN       GLY  17 113.716   9.844  -1.209
  118   1HA   GLY  17          HA2       GLY  17 113.780  10.673   0.928
  119   2HA   GLY  17          HA1       GLY  17 112.341  11.591   0.515
  120    H    GLU  18           HN       GLU  18 112.392   8.114   0.314
  121    HA   GLU  18           HA       GLU  18 110.288   7.981   2.311
  122   1HB   GLU  18          HB2       GLU  18 111.241   6.296   0.105
  123   2HB   GLU  18          HB1       GLU  18 110.764   5.389   1.534
  124   1HG   GLU  18          HG2       GLU  18 108.693   7.125   1.294
  125   2HG   GLU  18          HG1       GLU  18 109.134   6.869  -0.394
  126    H    CYS  19           HN       CYS  19 110.491   5.714   3.607
  127    HA   CYS  19           HA       CYS  19 113.174   5.513   4.758
  128   1HB   CYS  19          HB2       CYS  19 111.565   7.127   6.038
  129   2HB   CYS  19          HB1       CYS  19 110.815   5.638   6.606
  130    H    ILE  20           HN       ILE  20 113.710   3.438   4.571
  131    HA   ILE  20           HA       ILE  20 111.793   1.399   5.414
  132    HB   ILE  20           HB       ILE  20 112.701  -0.060   3.522
  133   1HG1  ILE  20          HG12      ILE  20 113.126   1.671   1.491
  134   2HG1  ILE  20          HG11      ILE  20 113.847   2.582   2.813
  135   1HG2  ILE  20          HG21      ILE  20 110.906   0.479   2.161
  136   2HG2  ILE  20          HG22      ILE  20 111.055   2.208   2.478
  137   3HG2  ILE  20          HG23      ILE  20 110.421   1.134   3.725
  138   1HD1  ILE  20          HD11      ILE  20 114.849   0.287   1.390
  139   2HD1  ILE  20          HD12      ILE  20 114.837   0.022   3.132
  140   3HD1  ILE  20          HD13      ILE  20 115.687   1.410   2.459
  141    H    THR  21           HN       THR  21 113.091  -0.827   5.453
  142    HA   THR  21           HA       THR  21 115.256  -0.378   7.269
  143    HB   THR  21           HB       THR  21 114.165  -2.928   6.078
  144    HG1  THR  21           HG1      THR  21 112.647  -1.937   7.370
  145   1HG2  THR  21          HG21      THR  21 115.167  -3.838   8.301
  146   2HG2  THR  21          HG22      THR  21 116.252  -2.457   8.145
  147   3HG2  THR  21          HG23      THR  21 116.182  -3.672   6.869
  148    H    LEU  22           HN       LEU  22 117.417  -0.783   6.995
  149    HA   LEU  22           HA       LEU  22 118.412  -0.598   4.310
  150   1HB   LEU  22          HB2       LEU  22 120.615  -0.505   5.344
  151   2HB   LEU  22          HB1       LEU  22 119.501   0.598   6.130
  152    HG   LEU  22           HG       LEU  22 119.174  -1.296   7.857
  153   1HD1  LEU  22          HD11      LEU  22 121.228  -2.411   6.135
  154   2HD1  LEU  22          HD12      LEU  22 120.267  -3.184   7.397
  155   3HD1  LEU  22          HD13      LEU  22 121.747  -2.321   7.818
  156   1HD2  LEU  22          HD21      LEU  22 120.175   0.650   8.629
  157   2HD2  LEU  22          HD22      LEU  22 121.563   0.484   7.554
  158   3HD2  LEU  22          HD23      LEU  22 121.402  -0.575   8.956
  159    H    ASP  23           HN       ASP  23 118.089  -3.132   6.707
  160    HA   ASP  23           HA       ASP  23 119.871  -5.009   5.879
  161   1HB   ASP  23          HB2       ASP  23 116.998  -5.528   6.611
  162   2HB   ASP  23          HB1       ASP  23 118.283  -6.726   6.605
  163    H    LYS  24           HN       LYS  24 116.463  -4.987   4.699
  164    HA   LYS  24           HA       LYS  24 116.933  -6.854   2.726
  165   1HB   LYS  24          HB2       LYS  24 114.767  -6.000   1.789
  166   2HB   LYS  24          HB1       LYS  24 114.715  -6.460   3.481
  167   1HG   LYS  24          HG2       LYS  24 113.701  -4.491   3.763
  168   2HG   LYS  24          HG1       LYS  24 115.326  -3.812   3.646
  169   1HD   LYS  24          HD2       LYS  24 114.887  -3.787   1.105
  170   2HD   LYS  24          HD1       LYS  24 113.188  -3.963   1.551
  171   1HE   LYS  24          HE2       LYS  24 113.631  -1.960   3.116
  172   2HE   LYS  24          HE1       LYS  24 115.069  -1.704   2.127
  173   1HZ   LYS  24          HZ1       LYS  24 112.535  -2.070   0.727
  174   2HZ   LYS  24          HZ2       LYS  24 113.846  -1.071   0.347
  175   3HZ   LYS  24          HZ3       LYS  24 112.751  -0.608   1.551
  176    H    VAL  25           HN       VAL  25 118.501  -4.059   2.765
  177    HA   VAL  25           HA       VAL  25 118.031  -2.812   0.317
  178    HB   VAL  25           HB       VAL  25 120.354  -2.935   2.185
  179   1HG1  VAL  25          HG11      VAL  25 120.509  -2.109  -0.661
  180   2HG1  VAL  25          HG12      VAL  25 121.697  -2.935   0.349
  181   3HG1  VAL  25          HG13      VAL  25 121.417  -1.206   0.552
  182   1HG2  VAL  25          HG21      VAL  25 118.283  -1.387   2.296
  183   2HG2  VAL  25          HG22      VAL  25 119.102  -0.485   1.021
  184   3HG2  VAL  25          HG23      VAL  25 119.883  -0.705   2.587
  185    H    CYS  26           HN       CYS  26 118.750  -3.143  -1.719
  186    HA   CYS  26           HA       CYS  26 119.584  -4.214  -3.544
  187   1HB   CYS  26          HB2       CYS  26 121.759  -3.914  -2.407
  188   2HB   CYS  26          HB1       CYS  26 121.528  -5.449  -1.580
  189    H    ASN  27           HN       ASN  27 117.364  -5.348  -2.158
  190    HA   ASN  27           HA       ASN  27 117.681  -8.169  -1.921
  191   1HB   ASN  27          HB2       ASN  27 115.166  -8.159  -1.875
  192   2HB   ASN  27          HB1       ASN  27 115.921  -7.118  -0.673
  193   1HD2  ASN  27          HD21      ASN  27 113.286  -6.831  -1.472
  194   2HD2  ASN  27          HD22      ASN  27 113.115  -5.331  -2.312
  195    H    MET  28           HN       MET  28 115.799  -9.444  -3.263
  196    HA   MET  28           HA       MET  28 116.746  -9.336  -5.995
  197   1HB   MET  28          HB2       MET  28 115.535 -11.400  -6.307
  198   2HB   MET  28          HB1       MET  28 116.422 -11.488  -4.792
  199   1HG   MET  28          HG2       MET  28 114.194 -10.680  -3.739
  200   2HG   MET  28          HG1       MET  28 113.486 -11.246  -5.250
  201   1HE   MET  28          HE1       MET  28 112.578 -14.062  -5.204
  202   2HE   MET  28          HE2       MET  28 114.114 -14.904  -5.411
  203   3HE   MET  28          HE3       MET  28 113.829 -13.375  -6.242
  204    H    ALA  29           HN       ALA  29 113.986  -8.344  -4.173
  205    HA   ALA  29           HA       ALA  29 112.436  -7.814  -6.606
  206   1HB   ALA  29          HB1       ALA  29 110.987  -8.813  -5.134
  207   2HB   ALA  29          HB2       ALA  29 110.703  -7.112  -4.763
  208   3HB   ALA  29          HB3       ALA  29 111.745  -8.080  -3.719
  209    H    ARG  30           HN       ARG  30 111.164  -5.688  -6.526
  210    HA   ARG  30           HA       ARG  30 113.076  -3.551  -6.295
  211   1HB   ARG  30          HB2       ARG  30 111.496  -3.666  -8.182
  212   2HB   ARG  30          HB1       ARG  30 110.154  -3.464  -7.064
  213   1HG   ARG  30          HG2       ARG  30 111.084  -1.259  -6.423
  214   2HG   ARG  30          HG1       ARG  30 112.320  -1.464  -7.665
  215   1HD   ARG  30          HD2       ARG  30 110.635  -0.149  -8.654
  216   2HD   ARG  30          HD1       ARG  30 110.420  -1.771  -9.310
  217    HE   ARG  30           HE       ARG  30 108.751  -1.739  -7.182
  218   1HH1  ARG  30          HH11      ARG  30 109.170   0.386  -9.917
  219   2HH1  ARG  30          HH12      ARG  30 107.509   0.872  -9.953
  220   1HH2  ARG  30          HH21      ARG  30 106.566  -1.101  -7.227
  221   2HH2  ARG  30          HH22      ARG  30 106.030   0.029  -8.426
  222    H    ASP  31           HN       ASP  31 113.083  -1.860  -4.879
  223    HA   ASP  31           HA       ASP  31 111.267  -2.100  -2.573
  224   1HB   ASP  31          HB2       ASP  31 114.133  -1.251  -2.816
  225   2HB   ASP  31          HB1       ASP  31 113.158  -0.667  -1.471
  226    H    CYS  32           HN       CYS  32 112.344  -0.037  -5.118
  227    HA   CYS  32           HA       CYS  32 110.361   1.938  -4.389
  228   1HB   CYS  32          HB2       CYS  32 113.286   2.436  -4.166
  229   2HB   CYS  32          HB1       CYS  32 112.300   3.719  -4.860
  230    H    ARG  33           HN       ARG  33 110.443   3.792  -6.099
  231    HA   ARG  33           HA       ARG  33 110.325   2.499  -8.676
  232   1HB   ARG  33          HB2       ARG  33 108.569   4.067  -7.988
  233   2HB   ARG  33          HB1       ARG  33 109.755   5.360  -7.881
  234   1HG   ARG  33          HG2       ARG  33 109.854   5.645 -10.126
  235   2HG   ARG  33          HG1       ARG  33 109.554   3.940 -10.468
  236   1HD   ARG  33          HD2       ARG  33 107.612   5.004 -11.196
  237   2HD   ARG  33          HD1       ARG  33 107.182   4.389  -9.601
  238    HE   ARG  33           HE       ARG  33 108.034   6.899  -9.077
  239   1HH1  ARG  33          HH11      ARG  33 105.708   5.599 -11.331
  240   2HH1  ARG  33          HH12      ARG  33 104.714   7.018 -11.315
  241   1HH2  ARG  33          HH21      ARG  33 106.728   8.764  -9.056
  242   2HH2  ARG  33          HH22      ARG  33 105.293   8.815 -10.024
  243    H    ASP  34           HN       ASP  34 112.425   4.724  -7.004
  244    HA   ASP  34           HA       ASP  34 113.860   5.523  -9.367
  245   1HB   ASP  34          HB2       ASP  34 114.061   6.069  -6.449
  246   2HB   ASP  34          HB1       ASP  34 115.516   6.286  -7.415
  247    H    TRP  35           HN       TRP  35 114.067   2.961  -7.048
  248    HA   TRP  35           HA       TRP  35 115.404   1.135  -6.891
  249   1HB   TRP  35          HB2       TRP  35 116.100   2.040  -9.676
  250   2HB   TRP  35          HB1       TRP  35 116.901   0.657  -8.938
  251    HD1  TRP  35           HD1      TRP  35 113.220   1.776  -9.500
  252    HE1  TRP  35           HE1      TRP  35 111.864  -0.302 -10.186
  253    HE3  TRP  35           HE3      TRP  35 116.925  -1.730  -9.235
  254    HZ2  TRP  35           HZ2      TRP  35 112.308  -3.066 -10.559
  255    HZ3  TRP  35           HZ3      TRP  35 116.379  -4.069  -9.770
  256    HH2  TRP  35           HH2      TRP  35 114.116  -4.722 -10.417
  257    H    SER  36           HN       SER  36 116.285   3.855  -6.034
  258    HA   SER  36           HA       SER  36 119.097   4.036  -6.418
  259   1HB   SER  36          HB2       SER  36 117.680   5.977  -5.794
  260   2HB   SER  36          HB1       SER  36 117.408   5.243  -4.213
  261    HG   SER  36           HG       SER  36 119.141   6.334  -3.711
  262    H    ASP  37           HN       ASP  37 117.049   2.337  -4.187
  263    HA   ASP  37           HA       ASP  37 119.128   1.784  -2.279
  264   1HB   ASP  37          HB2       ASP  37 116.733   1.896  -1.639
  265   2HB   ASP  37          HB1       ASP  37 116.426   0.462  -2.614
  266    H    GLU  38           HN       GLU  38 117.791   0.239  -5.110
  267    HA   GLU  38           HA       GLU  38 119.487  -2.116  -4.642
  268   1HB   GLU  38          HB2       GLU  38 117.101  -1.700  -6.445
  269   2HB   GLU  38          HB1       GLU  38 118.099  -3.147  -6.477
  270   1HG   GLU  38          HG2       GLU  38 116.087  -3.500  -5.174
  271   2HG   GLU  38          HG1       GLU  38 117.523  -3.609  -4.156
  272    HA   PRO  39           HA       PRO  39 121.584   0.245  -8.095
  273   1HB   PRO  39          HB2       PRO  39 124.037   0.384  -7.009
  274   2HB   PRO  39          HB1       PRO  39 122.777   1.555  -6.602
  275   1HG   PRO  39          HG2       PRO  39 123.665  -0.873  -5.081
  276   2HG   PRO  39          HG1       PRO  39 123.343   0.763  -4.478
  277   1HD   PRO  39          HD2       PRO  39 121.539  -1.255  -4.275
  278   2HD   PRO  39          HD1       PRO  39 121.066   0.445  -4.464
  279    H    ILE  40           HN       ILE  40 121.407  -1.581  -9.413
  280    HA   ILE  40           HA       ILE  40 122.496  -4.081  -9.050
  281    HB   ILE  40           HB       ILE  40 122.305  -2.653 -11.704
  282   1HG1  ILE  40          HG12      ILE  40 120.247  -4.281 -10.195
  283   2HG1  ILE  40          HG11      ILE  40 120.173  -2.553 -10.517
  284   1HG2  ILE  40          HG21      ILE  40 122.234  -5.600 -11.065
  285   2HG2  ILE  40          HG22      ILE  40 123.619  -4.736 -11.736
  286   3HG2  ILE  40          HG23      ILE  40 122.126  -4.869 -12.666
  287   1HD1  ILE  40          HD11      ILE  40 118.734  -3.952 -11.983
  288   2HD1  ILE  40          HD12      ILE  40 120.202  -4.652 -12.666
  289   3HD1  ILE  40          HD13      ILE  40 119.879  -2.928 -12.849
  290    H    LYS  41           HN       LYS  41 124.079  -1.237 -10.485
  291    HA   LYS  41           HA       LYS  41 126.480  -2.596 -11.149
  292   1HB   LYS  41          HB2       LYS  41 125.460  -0.209 -11.840
  293   2HB   LYS  41          HB1       LYS  41 126.576   0.315 -10.586
  294   1HG   LYS  41          HG2       LYS  41 128.404  -0.163 -11.820
  295   2HG   LYS  41          HG1       LYS  41 127.655  -1.564 -12.589
  296   1HD   LYS  41          HD2       LYS  41 126.898   1.281 -13.227
  297   2HD   LYS  41          HD1       LYS  41 128.132   0.383 -14.113
  298   1HE   LYS  41          HE2       LYS  41 125.404  -0.784 -13.749
  299   2HE   LYS  41          HE1       LYS  41 125.679   0.438 -14.990
  300   1HZ   LYS  41          HZ1       LYS  41 125.922  -1.934 -15.718
  301   2HZ   LYS  41          HZ2       LYS  41 127.319  -2.019 -14.769
  302   3HZ   LYS  41          HZ3       LYS  41 127.243  -0.936 -16.065
  303    H    GLU  42           HN       GLU  42 125.300  -1.102  -8.239
  304    HA   GLU  42           HA       GLU  42 127.944  -1.281  -6.994
  305   1HB   GLU  42          HB2       GLU  42 125.451  -0.150  -5.738
  306   2HB   GLU  42          HB1       GLU  42 127.122   0.127  -5.268
  307   1HG   GLU  42          HG2       GLU  42 126.651   0.921  -8.005
  308   2HG   GLU  42          HG1       GLU  42 125.549   1.732  -6.894
  309    H    CYS  43           HN       CYS  43 125.389  -3.284  -7.446
  310    HA   CYS  43           HA       CYS  43 125.336  -4.403  -4.762
  311   1HB   CYS  43          HB2       CYS  43 123.709  -4.716  -7.229
  312   2HB   CYS  43          HB1       CYS  43 123.792  -6.097  -6.139
  313    H    GLY  44           HN       GLY  44 126.733  -5.893  -4.143
  314   1HA   GLY  44          HA2       GLY  44 128.146  -7.696  -4.169
  315   2HA   GLY  44          HA1       GLY  44 127.307  -8.225  -5.616
  316    H    THR  45           HN       THR  45 128.642  -5.109  -5.915
  317    HA   THR  45           HA       THR  45 130.466  -5.984  -7.917
  318    HB   THR  45           HB       THR  45 130.891  -3.279  -6.901
  319    HG1  THR  45           HG1      THR  45 128.873  -2.942  -6.463
  320   1HG2  THR  45          HG21      THR  45 131.216  -4.458  -9.295
  321   2HG2  THR  45          HG22      THR  45 131.045  -2.718  -9.063
  322   3HG2  THR  45          HG23      THR  45 129.647  -3.688  -9.525
  323    H    ASN  46           HN       ASN  46 132.157  -7.180  -7.222
  324    HA   ASN  46           HA       ASN  46 133.584  -6.547  -4.806
  325   1HB   ASN  46          HB2       ASN  46 133.378  -8.867  -5.454
  326   2HB   ASN  46          HB1       ASN  46 134.114  -8.539  -7.018
  327   1HD2  ASN  46          HD21      ASN  46 134.870  -7.950  -3.597
  328   2HD2  ASN  46          HD22      ASN  46 136.507  -8.492  -3.690
  329    H    GLU  47           HN       GLU  47 133.839  -4.271  -5.796
  330    HA   GLU  47           HA       GLU  47 135.936  -3.961  -7.741
  331   1HB   GLU  47          HB2       GLU  47 134.739  -1.822  -5.985
  332   2HB   GLU  47          HB1       GLU  47 135.563  -1.608  -7.522
  333   1HG   GLU  47          HG2       GLU  47 133.750  -2.230  -8.744
  334   2HG   GLU  47          HG1       GLU  47 133.131  -3.302  -7.490
  335    H    CYS  48           HN       CYS  48 135.741  -4.136  -4.291
  336    HA   CYS  48           HA       CYS  48 137.987  -2.665  -3.560
  337   1HB   CYS  48          HB2       CYS  48 136.691  -5.076  -2.348
  338   2HB   CYS  48          HB1       CYS  48 138.070  -4.284  -1.603
  339    H    LEU  49           HN       LEU  49 137.900  -6.181  -3.394
  340    HA   LEU  49           HA       LEU  49 140.668  -6.563  -3.510
  341   1HB   LEU  49          HB2       LEU  49 138.407  -8.404  -4.282
  342   2HB   LEU  49          HB1       LEU  49 140.084  -8.912  -4.225
  343    HG   LEU  49           HG       LEU  49 138.662  -7.765  -1.831
  344   1HD1  LEU  49          HD11      LEU  49 138.552 -10.474  -3.000
  345   2HD1  LEU  49          HD12      LEU  49 137.386  -9.624  -1.987
  346   3HD1  LEU  49          HD13      LEU  49 138.806 -10.374  -1.258
  347   1HD2  LEU  49          HD21      LEU  49 140.505  -9.266  -0.764
  348   2HD2  LEU  49          HD22      LEU  49 140.921  -7.669  -1.388
  349   3HD2  LEU  49          HD23      LEU  49 141.279  -9.109  -2.341
  350    H    ASP  50           HN       ASP  50 138.544  -5.561  -5.908
  351    HA   ASP  50           HA       ASP  50 139.479  -6.729  -8.193
  352   1HB   ASP  50          HB2       ASP  50 137.473  -5.163  -7.792
  353   2HB   ASP  50          HB1       ASP  50 138.618  -3.869  -8.138
  354    H    ASN  51           HN       ASN  51 141.276  -4.647  -6.193
  355    HA   ASN  51           HA       ASN  51 143.180  -4.234  -8.381
  356   1HB   ASN  51          HB2       ASN  51 143.632  -1.920  -7.502
  357   2HB   ASN  51          HB1       ASN  51 142.043  -2.122  -8.213
  358   1HD2  ASN  51          HD21      ASN  51 143.491  -0.569  -5.867
  359   2HD2  ASN  51          HD22      ASN  51 142.256  -0.562  -4.659
  360    H    ASN  52           HN       ASN  52 144.262  -2.471  -5.838
  361    HA   ASN  52           HA       ASN  52 146.190  -4.462  -5.033
  362   1HB   ASN  52          HB2       ASN  52 147.077  -2.561  -3.660
  363   2HB   ASN  52          HB1       ASN  52 146.907  -2.154  -5.363
  364   1HD2  ASN  52          HD21      ASN  52 145.226  -1.940  -2.269
  365   2HD2  ASN  52          HD22      ASN  52 144.371  -0.492  -2.636
  366    H    GLY  53           HN       GLY  53 143.448  -2.741  -3.786
  367   1HA   GLY  53          HA2       GLY  53 142.775  -4.660  -1.823
  368   2HA   GLY  53          HA1       GLY  53 143.607  -3.312  -1.077
  369    H    GLY  54           HN       GLY  54 141.676  -2.776  -3.925
  370   1HA   GLY  54          HA2       GLY  54 139.585  -1.887  -4.235
  371   2HA   GLY  54          HA1       GLY  54 139.318  -1.985  -2.506
  372    H    CYS  55           HN       CYS  55 141.558  -0.644  -1.678
  373    HA   CYS  55           HA       CYS  55 141.303   2.049  -2.755
  374   1HB   CYS  55          HB2       CYS  55 140.896   1.158   0.096
  375   2HB   CYS  55          HB1       CYS  55 141.237   2.818  -0.345
  376    H    SER  56           HN       SER  56 142.983  -0.142  -0.508
  377    HA   SER  56           HA       SER  56 145.472   0.538  -1.547
  378   1HB   SER  56          HB2       SER  56 144.669   1.890   0.997
  379   2HB   SER  56          HB1       SER  56 146.358   1.467   0.717
  380    HG   SER  56           HG       SER  56 146.489   3.127  -0.543
  381    H    HIS  57           HN       HIS  57 144.061  -0.477   1.564
  382    HA   HIS  57           HA       HIS  57 145.859  -2.810   1.469
  383   1HB   HIS  57          HB2       HIS  57 144.652  -1.411   3.861
  384   2HB   HIS  57          HB1       HIS  57 145.637  -2.870   3.938
  385    HD1  HIS  57           HD1      HIS  57 146.800  -0.625   5.459
  386    HD2  HIS  57           HD2      HIS  57 147.411  -1.045   1.372
  387    HE1  HIS  57           HE1      HIS  57 148.868   0.714   4.952
  388    HE2  HIS  57           HE2      HIS  57 149.179   0.510   2.460
  389    H    VAL  58           HN       VAL  58 142.820  -2.016   3.150
  390    HA   VAL  58           HA       VAL  58 141.638  -4.402   1.943
  391    HB   VAL  58           HB       VAL  58 140.453  -4.522   4.367
  392   1HG1  VAL  58          HG11      VAL  58 141.532  -6.536   4.625
  393   2HG1  VAL  58          HG12      VAL  58 143.077  -5.904   4.057
  394   3HG1  VAL  58          HG13      VAL  58 141.779  -6.226   2.906
  395   1HG2  VAL  58          HG21      VAL  58 142.307  -2.698   4.973
  396   2HG2  VAL  58          HG22      VAL  58 143.250  -4.159   5.271
  397   3HG2  VAL  58          HG23      VAL  58 141.735  -3.896   6.133
  398    H    CYS  59           HN       CYS  59 140.001  -3.706   0.832
  399    HA   CYS  59           HA       CYS  59 138.388  -1.481   1.871
  400   1HB   CYS  59          HB2       CYS  59 139.189  -0.706  -0.129
  401   2HB   CYS  59          HB1       CYS  59 139.268  -2.289  -0.864
  402    H    ASN  60           HN       ASN  60 136.238  -1.688   2.137
  403    HA   ASN  60           HA       ASN  60 135.124  -4.388   1.806
  404   1HB   ASN  60          HB2       ASN  60 134.982  -2.420   3.897
  405   2HB   ASN  60          HB1       ASN  60 133.357  -2.783   3.325
  406   1HD2  ASN  60          HD21      ASN  60 133.185  -3.613   5.547
  407   2HD2  ASN  60          HD22      ASN  60 133.652  -5.249   5.845
  408    H    ASP  61           HN       ASP  61 133.963  -4.653   0.009
  409    HA   ASP  61           HA       ASP  61 132.581  -2.378  -1.172
  410   1HB   ASP  61          HB2       ASP  61 133.855  -4.697  -2.208
  411   2HB   ASP  61          HB1       ASP  61 132.156  -4.777  -2.662
  412    H    LEU  62           HN       LEU  62 130.622  -1.958  -0.470
  413    HA   LEU  62           HA       LEU  62 128.877  -4.143   0.404
  414   1HB   LEU  62          HB2       LEU  62 128.054  -1.278   0.544
  415   2HB   LEU  62          HB1       LEU  62 127.634  -2.604   1.596
  416    HG   LEU  62           HG       LEU  62 130.282  -1.165   1.528
  417   1HD1  LEU  62          HD11      LEU  62 127.834  -0.917   3.133
  418   2HD1  LEU  62          HD12      LEU  62 129.107   0.259   2.808
  419   3HD1  LEU  62          HD13      LEU  62 129.337  -0.968   4.055
  420   1HD2  LEU  62          HD21      LEU  62 130.432  -3.629   1.978
  421   2HD2  LEU  62          HD22      LEU  62 129.422  -3.362   3.399
  422   3HD2  LEU  62          HD23      LEU  62 131.006  -2.595   3.286
  423    H    LYS  63           HN       LYS  63 126.619  -4.163  -0.284
  424    HA   LYS  63           HA       LYS  63 126.394  -4.096  -3.099
  425   1HB   LYS  63          HB2       LYS  63 124.556  -4.664  -0.826
  426   2HB   LYS  63          HB1       LYS  63 123.837  -4.332  -2.396
  427   1HG   LYS  63          HG2       LYS  63 124.724  -6.229  -3.356
  428   2HG   LYS  63          HG1       LYS  63 126.026  -6.346  -2.172
  429   1HD   LYS  63          HD2       LYS  63 123.844  -6.611  -0.578
  430   2HD   LYS  63          HD1       LYS  63 123.271  -7.369  -2.065
  431   1HE   LYS  63          HE2       LYS  63 125.763  -8.077  -0.520
  432   2HE   LYS  63          HE1       LYS  63 124.284  -9.031  -0.627
  433   1HZ   LYS  63          HZ1       LYS  63 124.850  -8.806  -3.192
  434   2HZ   LYS  63          HZ2       LYS  63 125.474 -10.053  -2.235
  435   3HZ   LYS  63          HZ3       LYS  63 126.423  -8.696  -2.577
  436    H    ILE  64           HN       ILE  64 125.729  -1.752  -0.636
  437    HA   ILE  64           HA       ILE  64 124.459  -0.017  -2.647
  438    HB   ILE  64           HB       ILE  64 123.026  -0.604  -0.697
  439   1HG1  ILE  64          HG12      ILE  64 123.060   2.145  -0.092
  440   2HG1  ILE  64          HG11      ILE  64 123.613   2.012  -1.758
  441   1HG2  ILE  64          HG21      ILE  64 125.281  -0.248   0.799
  442   2HG2  ILE  64          HG22      ILE  64 123.640  -0.339   1.436
  443   3HG2  ILE  64          HG23      ILE  64 124.379   1.231   1.128
  444   1HD1  ILE  64          HD11      ILE  64 121.057   0.879  -0.647
  445   2HD1  ILE  64          HD12      ILE  64 121.613   0.728  -2.314
  446   3HD1  ILE  64          HD13      ILE  64 121.214   2.316  -1.659
  447    H    GLY  65           HN       GLY  65 127.348  -0.395  -2.168
  448   1HA   GLY  65          HA2       GLY  65 128.629   1.743  -2.725
  449   2HA   GLY  65          HA1       GLY  65 128.060   2.281  -1.154
  450    H    TYR  66           HN       TYR  66 130.779   1.621  -2.376
  451    HA   TYR  66           HA       TYR  66 131.659  -0.347  -0.400
  452   1HB   TYR  66          HB2       TYR  66 133.791  -0.378  -1.766
  453   2HB   TYR  66          HB1       TYR  66 132.357  -1.032  -2.539
  454    HD1  TYR  66           HD1      TYR  66 132.471   2.586  -2.402
  455    HD2  TYR  66           HD2      TYR  66 133.706  -0.814  -4.641
  456    HE1  TYR  66           HE1      TYR  66 132.875   4.023  -4.347
  457    HE2  TYR  66           HE2      TYR  66 134.109   0.619  -6.596
  458    HH   TYR  66           HH       TYR  66 132.945   3.256  -7.218
  459    H    GLU  67           HN       GLU  67 133.540  -0.003   0.846
  460    HA   GLU  67           HA       GLU  67 134.441   2.776   1.077
  461   1HB   GLU  67          HB2       GLU  67 134.457   1.871   3.701
  462   2HB   GLU  67          HB1       GLU  67 133.343   3.035   3.008
  463   1HG   GLU  67          HG2       GLU  67 132.753   0.120   2.791
  464   2HG   GLU  67          HG1       GLU  67 132.459   0.963   4.311
  465    H    CYS  68           HN       CYS  68 136.388   2.890   2.593
  466    HA   CYS  68           HA       CYS  68 138.139   0.623   1.942
  467   1HB   CYS  68          HB2       CYS  68 139.125   3.316   2.829
  468   2HB   CYS  68          HB1       CYS  68 139.950   2.103   1.858
  469    H    LEU  69           HN       LEU  69 139.413  -0.336   3.493
  470    HA   LEU  69           HA       LEU  69 138.877   0.454   6.279
  471   1HB   LEU  69          HB2       LEU  69 139.436  -2.382   5.495
  472   2HB   LEU  69          HB1       LEU  69 138.674  -1.773   6.947
  473    HG   LEU  69           HG       LEU  69 137.463  -1.987   4.198
  474   1HD1  LEU  69          HD11      LEU  69 135.753  -3.166   5.898
  475   2HD1  LEU  69          HD12      LEU  69 137.274  -3.461   6.742
  476   3HD1  LEU  69          HD13      LEU  69 137.062  -4.022   5.082
  477   1HD2  LEU  69          HD21      LEU  69 135.685  -1.112   6.326
  478   2HD2  LEU  69          HD22      LEU  69 135.877  -0.492   4.688
  479   3HD2  LEU  69          HD23      LEU  69 136.946   0.067   5.973
  480    H    CYS  70           HN       CYS  70 140.550   0.066   7.791
  481    HA   CYS  70           HA       CYS  70 143.163  -0.738   6.804
  482   1HB   CYS  70          HB2       CYS  70 142.830   1.973   8.096
  483   2HB   CYS  70          HB1       CYS  70 144.297   1.292   7.406
  484    HA   PRO  71           HA       PRO  71 143.754  -2.437  10.822
  485   1HB   PRO  71          HB2       PRO  71 146.292  -1.443  11.433
  486   2HB   PRO  71          HB1       PRO  71 145.954  -2.929  10.541
  487   1HG   PRO  71          HG2       PRO  71 146.656  -0.217   9.514
  488   2HG   PRO  71          HG1       PRO  71 147.138  -1.811   8.905
  489   1HD   PRO  71          HD2       PRO  71 145.252  -0.367   7.674
  490   2HD   PRO  71          HD1       PRO  71 145.119  -2.134   7.800
  491    H    ASP  72           HN       ASP  72 143.901  -1.881  13.076
  492    HA   ASP  72           HA       ASP  72 142.594   0.471  13.775
  493   1HB   ASP  72          HB2       ASP  72 144.098  -1.615  15.290
  494   2HB   ASP  72          HB1       ASP  72 143.662  -0.128  16.126
  495    H    GLY  73           HN       GLY  73 143.259   2.363  14.820
  496   1HA   GLY  73          HA2       GLY  73 144.654   4.108  15.362
  497   2HA   GLY  73          HA1       GLY  73 145.994   2.976  15.319
  498    H    PHE  74           HN       PHE  74 144.370   2.826  12.384
  499    HA   PHE  74           HA       PHE  74 146.312   4.700  11.203
  500   1HB   PHE  74          HB2       PHE  74 145.131   2.144  10.159
  501   2HB   PHE  74          HB1       PHE  74 145.841   3.326   9.074
  502    HD1  PHE  74           HD1      PHE  74 146.906   2.126  12.439
  503    HD2  PHE  74           HD2      PHE  74 147.821   2.468   8.300
  504    HE1  PHE  74           HE1      PHE  74 149.138   1.183  12.861
  505    HE2  PHE  74           HE2      PHE  74 150.056   1.524   8.712
  506    HZ   PHE  74           HZ       PHE  74 150.717   0.880  10.995
  507    H    GLN  75           HN       GLN  75 145.679   6.166   9.696
  508    HA   GLN  75           HA       GLN  75 142.774   6.527   9.377
  509   1HB   GLN  75          HB2       GLN  75 144.960   8.616   9.275
  510   2HB   GLN  75          HB1       GLN  75 143.238   8.921   9.092
  511   1HG   GLN  75          HG2       GLN  75 143.082   7.793  11.439
  512   2HG   GLN  75          HG1       GLN  75 144.790   8.219  11.535
  513   1HE2  GLN  75          HE21      GLN  75 145.251  10.542  10.889
  514   2HE2  GLN  75          HE22      GLN  75 144.174  11.739  11.516
  515    H    LEU  76           HN       LEU  76 142.026   6.137   7.410
  516    HA   LEU  76           HA       LEU  76 143.700   5.658   5.183
  517   1HB   LEU  76          HB2       LEU  76 141.549   4.547   5.472
  518   2HB   LEU  76          HB1       LEU  76 140.718   6.085   5.339
  519    HG   LEU  76           HG       LEU  76 142.126   6.004   2.989
  520   1HD1  LEU  76          HD11      LEU  76 141.512   3.709   2.088
  521   2HD1  LEU  76          HD12      LEU  76 141.369   3.206   3.772
  522   3HD1  LEU  76          HD13      LEU  76 142.912   3.798   3.157
  523   1HD2  LEU  76          HD21      LEU  76 139.331   5.271   3.756
  524   2HD2  LEU  76          HD22      LEU  76 139.855   5.154   2.076
  525   3HD2  LEU  76          HD23      LEU  76 139.921   6.704   2.915
  526    H    VAL  77           HN       VAL  77 144.812   7.260   4.194
  527    HA   VAL  77           HA       VAL  77 143.692   9.919   4.020
  528    HB   VAL  77           HB       VAL  77 146.379   8.956   3.058
  529   1HG1  VAL  77          HG11      VAL  77 145.449  11.116   2.141
  530   2HG1  VAL  77          HG12      VAL  77 147.007  11.237   2.959
  531   3HG1  VAL  77          HG13      VAL  77 145.535  11.752   3.783
  532   1HG2  VAL  77          HG21      VAL  77 145.579   8.922   5.657
  533   2HG2  VAL  77          HG22      VAL  77 146.252  10.547   5.520
  534   3HG2  VAL  77          HG23      VAL  77 147.245   9.144   5.123
  535    H    ALA  78           HN       ALA  78 143.185  10.987   2.166
  536    HA   ALA  78           HA       ALA  78 142.676  11.352  -0.030
  537   1HB   ALA  78          HB1       ALA  78 143.902  10.358  -1.720
  538   2HB   ALA  78          HB2       ALA  78 144.036   8.823  -0.862
  539   3HB   ALA  78          HB3       ALA  78 144.984  10.214  -0.334
  540    H    GLN  79           HN       GLN  79 141.247   9.395   1.859
  541    HA   GLN  79           HA       GLN  79 139.306   8.235   1.833
  542   1HB   GLN  79          HB2       GLN  79 139.266   9.590  -0.809
  543   2HB   GLN  79          HB1       GLN  79 138.138   8.263  -0.572
  544   1HG   GLN  79          HG2       GLN  79 138.367  10.679   1.207
  545   2HG   GLN  79          HG1       GLN  79 137.162  10.455  -0.060
  546   1HE2  GLN  79          HE21      GLN  79 137.629  10.286   3.153
  547   2HE2  GLN  79          HE22      GLN  79 136.423   9.125   3.578
  548    H    ARG  80           HN       ARG  80 141.988   7.105   0.719
  549    HA   ARG  80           HA       ARG  80 140.937   4.482   0.276
  550   1HB   ARG  80          HB2       ARG  80 142.226   5.933  -2.019
  551   2HB   ARG  80          HB1       ARG  80 142.204   4.186  -1.922
  552   1HG   ARG  80          HG2       ARG  80 139.595   4.701  -1.536
  553   2HG   ARG  80          HG1       ARG  80 140.039   6.071  -2.552
  554   1HD   ARG  80          HD2       ARG  80 141.247   3.753  -3.654
  555   2HD   ARG  80          HD1       ARG  80 139.565   3.361  -3.303
  556    HE   ARG  80           HE       ARG  80 139.849   5.869  -4.645
  557   1HH1  ARG  80          HH11      ARG  80 139.715   2.415  -5.121
  558   2HH1  ARG  80          HH12      ARG  80 139.152   2.536  -6.754
  559   1HH2  ARG  80          HH21      ARG  80 139.108   6.030  -6.793
  560   2HH2  ARG  80          HH22      ARG  80 138.809   4.589  -7.704
  561    H    ARG  81           HN       ARG  81 143.687   6.609   0.647
  562    HA   ARG  81           HA       ARG  81 145.585   4.449   0.716
  563   1HB   ARG  81          HB2       ARG  81 145.994   6.881  -0.030
  564   2HB   ARG  81          HB1       ARG  81 146.145   7.219   1.689
  565   1HG   ARG  81          HG2       ARG  81 147.791   5.183   0.205
  566   2HG   ARG  81          HG1       ARG  81 148.307   6.835   0.551
  567   1HD   ARG  81          HD2       ARG  81 147.783   6.243   3.006
  568   2HD   ARG  81          HD1       ARG  81 147.821   4.569   2.453
  569    HE   ARG  81           HE       ARG  81 150.091   4.708   2.445
  570   1HH1  ARG  81          HH11      ARG  81 148.813   7.941   2.133
  571   2HH1  ARG  81          HH12      ARG  81 150.371   8.695   2.175
  572   1HH2  ARG  81          HH21      ARG  81 152.141   5.698   2.500
  573   2HH2  ARG  81          HH22      ARG  81 152.260   7.422   2.383
  574    H    CYS  82           HN       CYS  82 145.855   3.145   2.368
  575    HA   CYS  82           HA       CYS  82 144.804   3.769   4.964
  576   1HB   CYS  82          HB2       CYS  82 146.248   1.428   3.773
  577   2HB   CYS  82          HB1       CYS  82 146.022   1.534   5.515
  578    H    GLU  83           HN       GLU  83 145.847   5.204   6.211
  579    HA   GLU  83           HA       GLU  83 148.434   4.634   7.196
  580   1HB   GLU  83          HB2       GLU  83 149.082   5.551   4.994
  581   2HB   GLU  83          HB1       GLU  83 148.245   7.046   5.387
  582   1HG   GLU  83          HG2       GLU  83 149.869   6.877   7.509
  583   2HG   GLU  83          HG1       GLU  83 150.849   6.026   6.316
  Start of MODEL    2
    1   1H    GLY   1           HT1      GLY   1 106.432  14.809  20.844
    2   2H    GLY   1           HT2      GLY   1 107.219  14.498  22.310
    3   3H    GLY   1           HT3      GLY   1 105.776  15.382  22.295
    4   1HA   GLY   1          HA1       GLY   1 105.704  12.918  22.981
    5   2HA   GLY   1          HA2       GLY   1 104.462  13.554  21.914
    6    H    ASN   2           HN       ASN   2 104.916  13.330  19.542
    7    HA   ASN   2           HA       ASN   2 105.595  10.600  18.992
    8   1HB   ASN   2          HB2       ASN   2 103.764  11.940  17.849
    9   2HB   ASN   2          HB1       ASN   2 105.043  12.762  16.960
   10   1HD2  ASN   2          HD21      ASN   2 106.547  11.339  15.757
   11   2HD2  ASN   2          HD22      ASN   2 105.888   9.940  14.988
   12    H    VAL   3           HN       VAL   3 107.349   9.781  17.935
   13    HA   VAL   3           HA       VAL   3 109.501  11.682  17.260
   14    HB   VAL   3           HB       VAL   3 111.091   9.808  17.910
   15   1HG1  VAL   3          HG11      VAL   3 110.911  11.771  19.271
   16   2HG1  VAL   3          HG12      VAL   3 110.949  10.364  20.335
   17   3HG1  VAL   3          HG13      VAL   3 109.421  11.183  20.008
   18   1HG2  VAL   3          HG21      VAL   3 110.227   8.207  19.586
   19   2HG2  VAL   3          HG22      VAL   3 109.522   7.973  17.986
   20   3HG2  VAL   3          HG23      VAL   3 108.592   8.778  19.250
   21    H    THR   4           HN       THR   4 110.229  11.544  15.244
   22    HA   THR   4           HA       THR   4 109.143   9.736  13.371
   23    HB   THR   4           HB       THR   4 111.713  11.238  12.937
   24    HG1  THR   4           HG1      THR   4 110.633  12.942  13.528
   25   1HG2  THR   4          HG21      THR   4 110.606  11.675  10.712
   26   2HG2  THR   4          HG22      THR   4 109.419  10.453  11.171
   27   3HG2  THR   4          HG23      THR   4 111.122  10.018  11.021
   28    H    LEU   5           HN       LEU   5 110.053   7.985  12.291
   29    HA   LEU   5           HA       LEU   5 112.343   6.747  13.671
   30   1HB   LEU   5          HB2       LEU   5 109.865   5.725  13.493
   31   2HB   LEU   5          HB1       LEU   5 110.540   5.089  12.005
   32    HG   LEU   5           HG       LEU   5 111.936   4.708  14.639
   33   1HD1  LEU   5          HD11      LEU   5 109.425   3.834  14.343
   34   2HD1  LEU   5          HD12      LEU   5 110.660   2.937  15.225
   35   3HD1  LEU   5          HD13      LEU   5 110.286   2.511  13.556
   36   1HD2  LEU   5          HD21      LEU   5 112.760   2.672  13.393
   37   2HD2  LEU   5          HD22      LEU   5 113.328   4.228  12.787
   38   3HD2  LEU   5          HD23      LEU   5 112.036   3.372  11.945
   39    H    CYS   6           HN       CYS   6 112.508   8.646  11.467
   40    HA   CYS   6           HA       CYS   6 113.439   6.948   9.265
   41   1HB   CYS   6          HB2       CYS   6 111.852   8.899   8.865
   42   2HB   CYS   6          HB1       CYS   6 113.207   9.955   9.242
   43    H    GLU   7           HN       GLU   7 114.774   7.814  11.975
   44    HA   GLU   7           HA       GLU   7 117.401   8.259  10.766
   45   1HB   GLU   7          HB2       GLU   7 117.986   9.929  12.438
   46   2HB   GLU   7          HB1       GLU   7 116.582  10.455  11.521
   47   1HG   GLU   7          HG2       GLU   7 115.928   8.972  13.952
   48   2HG   GLU   7          HG1       GLU   7 116.796  10.480  14.233
   49    H    GLY   8           HN       GLY   8 119.070   8.186  12.771
   50   1HA   GLY   8          HA2       GLY   8 119.906   6.994  14.578
   51   2HA   GLY   8          HA1       GLY   8 118.322   6.266  14.791
   52    HA   PRO   9           HA       PRO   9 120.858   2.829  13.227
   53   1HB   PRO   9          HB2       PRO   9 119.499   0.862  14.461
   54   2HB   PRO   9          HB1       PRO   9 120.682   1.865  15.309
   55   1HG   PRO   9          HG2       PRO   9 117.697   2.061  15.291
   56   2HG   PRO   9          HG1       PRO   9 118.824   2.222  16.650
   57   1HD   PRO   9          HD2       PRO   9 117.711   4.352  15.351
   58   2HD   PRO   9          HD1       PRO   9 119.284   4.414  16.170
   59    H    ASN  10           HN       ASN  10 120.338   0.890  11.992
   60    HA   ASN  10           HA       ASN  10 119.466   0.074  10.033
   61   1HB   ASN  10          HB2       ASN  10 117.248  -0.907  10.347
   62   2HB   ASN  10          HB1       ASN  10 118.242  -1.134  11.783
   63   1HD2  ASN  10          HD21      ASN  10 115.677   0.822  10.385
   64   2HD2  ASN  10          HD22      ASN  10 114.954   1.276  11.886
   65    H    LYS  11           HN       LYS  11 119.358   3.041  10.211
   66    HA   LYS  11           HA       LYS  11 116.887   3.708   8.848
   67   1HB   LYS  11          HB2       LYS  11 117.748   6.016   8.871
   68   2HB   LYS  11          HB1       LYS  11 117.739   5.294  10.471
   69   1HG   LYS  11          HG2       LYS  11 119.765   6.423  10.368
   70   2HG   LYS  11          HG1       LYS  11 120.198   4.747  10.037
   71   1HD   LYS  11          HD2       LYS  11 120.943   5.245   7.987
   72   2HD   LYS  11          HD1       LYS  11 119.516   6.216   7.622
   73   1HE   LYS  11          HE2       LYS  11 121.881   7.136   9.252
   74   2HE   LYS  11          HE1       LYS  11 121.602   7.528   7.556
   75   1HZ   LYS  11          HZ1       LYS  11 120.009   9.018   8.069
   76   2HZ   LYS  11          HZ2       LYS  11 120.820   9.083   9.552
   77   3HZ   LYS  11          HZ3       LYS  11 119.429   8.135   9.391
   78    H    PHE  12           HN       PHE  12 116.678   4.326   6.731
   79    HA   PHE  12           HA       PHE  12 118.953   4.569   4.989
   80   1HB   PHE  12          HB2       PHE  12 118.444   2.038   5.316
   81   2HB   PHE  12          HB1       PHE  12 117.056   2.351   4.280
   82    HD1  PHE  12           HD1      PHE  12 117.372   3.038   1.953
   83    HD2  PHE  12           HD2      PHE  12 120.666   2.006   4.442
   84    HE1  PHE  12           HE1      PHE  12 118.800   2.809  -0.038
   85    HE2  PHE  12           HE2      PHE  12 122.100   1.775   2.457
   86    HZ   PHE  12           HZ       PHE  12 121.166   2.178   0.213
   87    H    LYS  13           HN       LYS  13 118.459   5.641   3.100
   88    HA   LYS  13           HA       LYS  13 115.619   6.319   2.710
   89   1HB   LYS  13          HB2       LYS  13 116.766   8.441   1.580
   90   2HB   LYS  13          HB1       LYS  13 116.374   8.393   3.291
   91   1HG   LYS  13          HG2       LYS  13 118.529   9.238   3.247
   92   2HG   LYS  13          HG1       LYS  13 118.776   7.529   3.607
   93   1HD   LYS  13          HD2       LYS  13 120.361   7.965   1.959
   94   2HD   LYS  13          HD1       LYS  13 119.023   7.257   1.054
   95   1HE   LYS  13          HE2       LYS  13 118.925  10.179   1.367
   96   2HE   LYS  13          HE1       LYS  13 120.263   9.573   0.394
   97   1HZ   LYS  13          HZ1       LYS  13 118.672   9.748  -1.196
   98   2HZ   LYS  13          HZ2       LYS  13 117.389   9.472  -0.130
   99   3HZ   LYS  13          HZ3       LYS  13 118.327   8.175  -0.677
  100    H    CYS  14           HN       CYS  14 114.917   6.642   0.548
  101    HA   CYS  14           HA       CYS  14 116.420   5.024  -1.358
  102   1HB   CYS  14          HB2       CYS  14 113.919   4.732  -0.865
  103   2HB   CYS  14          HB1       CYS  14 113.684   6.207  -1.797
  104    H    HIS  15           HN       HIS  15 116.625   5.729  -3.600
  105    HA   HIS  15           HA       HIS  15 117.864   8.219  -3.842
  106   1HB   HIS  15          HB2       HIS  15 118.286   6.332  -5.370
  107   2HB   HIS  15          HB1       HIS  15 116.667   6.515  -6.038
  108    HD1  HIS  15           HD1      HIS  15 118.560   9.625  -5.340
  109    HD2  HIS  15           HD2      HIS  15 117.858   7.085  -8.554
  110    HE1  HIS  15           HE1      HIS  15 119.327  10.888  -7.374
  111    HE2  HIS  15           HE2      HIS  15 118.809   9.366  -9.316
  112    H    SER  16           HN       SER  16 114.544   7.247  -4.338
  113    HA   SER  16           HA       SER  16 113.742   9.671  -5.636
  114   1HB   SER  16          HB2       SER  16 112.538   7.526  -5.951
  115   2HB   SER  16          HB1       SER  16 112.031   7.585  -4.263
  116    HG   SER  16           HG       SER  16 110.798   9.364  -4.697
  117    H    GLY  17           HN       GLY  17 114.595   8.993  -2.479
  118   1HA   GLY  17          HA2       GLY  17 114.654  10.673  -0.807
  119   2HA   GLY  17          HA1       GLY  17 113.259  11.432  -1.557
  120    H    GLU  18           HN       GLU  18 113.305   8.002  -1.014
  121    HA   GLU  18           HA       GLU  18 111.041   8.265   0.784
  122   1HB   GLU  18          HB2       GLU  18 112.325   5.695  -0.129
  123   2HB   GLU  18          HB1       GLU  18 110.683   5.939   0.450
  124   1HG   GLU  18          HG2       GLU  18 111.766   7.101  -2.104
  125   2HG   GLU  18          HG1       GLU  18 110.868   5.588  -1.999
  126    H    CYS  19           HN       CYS  19 111.199   6.148   2.439
  127    HA   CYS  19           HA       CYS  19 113.744   6.275   3.855
  128   1HB   CYS  19          HB2       CYS  19 112.234   8.105   4.732
  129   2HB   CYS  19          HB1       CYS  19 111.152   6.838   5.298
  130    H    ILE  20           HN       ILE  20 114.288   4.206   4.042
  131    HA   ILE  20           HA       ILE  20 112.341   2.336   5.165
  132    HB   ILE  20           HB       ILE  20 113.242   0.567   3.595
  133   1HG1  ILE  20          HG12      ILE  20 114.170   3.009   2.067
  134   2HG1  ILE  20          HG11      ILE  20 115.217   1.811   2.822
  135   1HG2  ILE  20          HG21      ILE  20 111.121   0.998   2.976
  136   2HG2  ILE  20          HG22      ILE  20 111.890   1.772   1.592
  137   3HG2  ILE  20          HG23      ILE  20 111.367   2.743   2.966
  138   1HD1  ILE  20          HD11      ILE  20 115.062   0.444   1.081
  139   2HD1  ILE  20          HD12      ILE  20 114.353   1.808   0.217
  140   3HD1  ILE  20          HD13      ILE  20 113.308   0.618   0.994
  141    H    THR  21           HN       THR  21 113.594   0.165   5.618
  142    HA   THR  21           HA       THR  21 115.749   0.871   7.369
  143    HB   THR  21           HB       THR  21 114.566  -1.815   6.660
  144    HG1  THR  21           HG1      THR  21 114.064   0.034   8.733
  145   1HG2  THR  21          HG21      THR  21 116.374  -2.631   7.696
  146   2HG2  THR  21          HG22      THR  21 115.545  -2.105   9.161
  147   3HG2  THR  21          HG23      THR  21 116.780  -1.079   8.430
  148    H    LEU  22           HN       LEU  22 117.891   0.305   7.211
  149    HA   LEU  22           HA       LEU  22 118.929   0.018   4.561
  150   1HB   LEU  22          HB2       LEU  22 121.107   0.154   5.606
  151   2HB   LEU  22          HB1       LEU  22 120.041   1.374   6.276
  152    HG   LEU  22           HG       LEU  22 119.627  -0.469   8.121
  153   1HD1  LEU  22          HD11      LEU  22 121.975  -1.421   6.634
  154   2HD1  LEU  22          HD12      LEU  22 120.872  -2.291   7.699
  155   3HD1  LEU  22          HD13      LEU  22 122.187  -1.338   8.384
  156   1HD2  LEU  22          HD21      LEU  22 120.432   1.655   8.736
  157   2HD2  LEU  22          HD22      LEU  22 121.952   1.422   7.873
  158   3HD2  LEU  22          HD23      LEU  22 121.629   0.515   9.351
  159    H    ASP  23           HN       ASP  23 118.470  -2.126   7.305
  160    HA   ASP  23           HA       ASP  23 120.136  -4.199   6.758
  161   1HB   ASP  23          HB2       ASP  23 117.241  -4.461   7.549
  162   2HB   ASP  23          HB1       ASP  23 118.468  -5.708   7.729
  163    H    LYS  24           HN       LYS  24 116.724  -4.212   5.611
  164    HA   LYS  24           HA       LYS  24 117.110  -6.340   3.901
  165   1HB   LYS  24          HB2       LYS  24 114.956  -5.606   2.901
  166   2HB   LYS  24          HB1       LYS  24 114.920  -5.737   4.650
  167   1HG   LYS  24          HG2       LYS  24 113.884  -3.741   4.443
  168   2HG   LYS  24          HG1       LYS  24 115.549  -3.157   4.442
  169   1HD   LYS  24          HD2       LYS  24 115.548  -3.160   1.997
  170   2HD   LYS  24          HD1       LYS  24 113.885  -3.749   1.996
  171   1HE   LYS  24          HE2       LYS  24 114.733  -1.169   3.297
  172   2HE   LYS  24          HE1       LYS  24 114.160  -1.273   1.633
  173   1HZ   LYS  24          HZ1       LYS  24 112.209  -2.555   2.898
  174   2HZ   LYS  24          HZ2       LYS  24 112.188  -0.887   2.616
  175   3HZ   LYS  24          HZ3       LYS  24 112.676  -1.482   4.121
  176    H    VAL  25           HN       VAL  25 118.844  -3.721   3.531
  177    HA   VAL  25           HA       VAL  25 118.358  -2.711   0.979
  178    HB   VAL  25           HB       VAL  25 120.714  -2.793   2.792
  179   1HG1  VAL  25          HG11      VAL  25 120.919  -2.130  -0.128
  180   2HG1  VAL  25          HG12      VAL  25 121.841  -3.328   0.783
  181   3HG1  VAL  25          HG13      VAL  25 122.088  -1.608   1.086
  182   1HG2  VAL  25          HG21      VAL  25 120.556  -0.424   2.674
  183   2HG2  VAL  25          HG22      VAL  25 118.915  -1.047   2.843
  184   3HG2  VAL  25          HG23      VAL  25 119.493  -0.505   1.268
  185    H    CYS  26           HN       CYS  26 118.745  -3.430  -1.008
  186    HA   CYS  26           HA       CYS  26 119.320  -4.791  -2.734
  187   1HB   CYS  26          HB2       CYS  26 121.620  -4.261  -1.941
  188   2HB   CYS  26          HB1       CYS  26 121.571  -5.704  -0.934
  189    H    ASN  27           HN       ASN  27 117.368  -5.745  -0.883
  190    HA   ASN  27           HA       ASN  27 117.814  -8.448  -0.180
  191   1HB   ASN  27          HB2       ASN  27 115.265  -8.511  -0.068
  192   2HB   ASN  27          HB1       ASN  27 116.066  -7.333   0.967
  193   1HD2  ASN  27          HD21      ASN  27 113.398  -7.638  -0.613
  194   2HD2  ASN  27          HD22      ASN  27 113.178  -6.059  -1.278
  195    H    MET  28           HN       MET  28 115.920 -10.040  -1.138
  196    HA   MET  28           HA       MET  28 116.795 -10.561  -3.818
  197   1HB   MET  28          HB2       MET  28 114.933 -11.898  -1.891
  198   2HB   MET  28          HB1       MET  28 114.907 -12.367  -3.585
  199   1HG   MET  28          HG2       MET  28 116.893 -13.418  -3.469
  200   2HG   MET  28          HG1       MET  28 117.564 -12.258  -2.323
  201   1HE   MET  28          HE1       MET  28 115.516 -16.009  -2.180
  202   2HE   MET  28          HE2       MET  28 114.721 -14.561  -2.800
  203   3HE   MET  28          HE3       MET  28 114.327 -15.163  -1.190
  204    H    ALA  29           HN       ALA  29 114.303  -8.719  -2.432
  205    HA   ALA  29           HA       ALA  29 112.898  -8.590  -5.020
  206   1HB   ALA  29          HB1       ALA  29 111.396  -9.579  -3.468
  207   2HB   ALA  29          HB2       ALA  29 110.882  -7.906  -3.680
  208   3HB   ALA  29          HB3       ALA  29 111.776  -8.378  -2.235
  209    H    ARG  30           HN       ARG  30 111.663  -6.458  -5.251
  210    HA   ARG  30           HA       ARG  30 113.560  -4.313  -4.767
  211   1HB   ARG  30          HB2       ARG  30 111.928  -2.993  -6.199
  212   2HB   ARG  30          HB1       ARG  30 112.738  -4.344  -6.980
  213   1HG   ARG  30          HG2       ARG  30 110.827  -5.496  -7.271
  214   2HG   ARG  30          HG1       ARG  30 110.147  -4.964  -5.733
  215   1HD   ARG  30          HD2       ARG  30 110.203  -2.637  -7.153
  216   2HD   ARG  30          HD1       ARG  30 109.871  -3.819  -8.418
  217    HE   ARG  30           HE       ARG  30 108.098  -2.978  -6.330
  218   1HH1  ARG  30          HH11      ARG  30 108.896  -5.598  -8.492
  219   2HH1  ARG  30          HH12      ARG  30 107.301  -6.275  -8.463
  220   1HH2  ARG  30          HH21      ARG  30 106.001  -3.865  -6.290
  221   2HH2  ARG  30          HH22      ARG  30 105.658  -5.290  -7.213
  222    H    ASP  31           HN       ASP  31 113.207  -2.515  -3.540
  223    HA   ASP  31           HA       ASP  31 110.784  -2.544  -1.864
  224   1HB   ASP  31          HB2       ASP  31 113.608  -2.335  -1.194
  225   2HB   ASP  31          HB1       ASP  31 112.671  -1.005  -0.519
  226    H    CYS  32           HN       CYS  32 112.367  -0.854  -4.285
  227    HA   CYS  32           HA       CYS  32 110.880   1.595  -3.609
  228   1HB   CYS  32          HB2       CYS  32 113.703   1.281  -4.557
  229   2HB   CYS  32          HB1       CYS  32 112.795   2.721  -5.004
  230    H    ARG  33           HN       ARG  33 110.607   3.017  -5.615
  231    HA   ARG  33           HA       ARG  33 109.364   1.405  -7.652
  232   1HB   ARG  33          HB2       ARG  33 108.496   3.624  -6.692
  233   2HB   ARG  33          HB1       ARG  33 109.687   4.398  -7.729
  234   1HG   ARG  33          HG2       ARG  33 107.866   4.471  -9.091
  235   2HG   ARG  33          HG1       ARG  33 108.546   2.918  -9.582
  236   1HD   ARG  33          HD2       ARG  33 106.914   1.710  -8.502
  237   2HD   ARG  33          HD1       ARG  33 106.585   2.993  -7.339
  238    HE   ARG  33           HE       ARG  33 105.864   3.772  -9.977
  239   1HH1  ARG  33          HH11      ARG  33 104.808   1.847  -7.266
  240   2HH1  ARG  33          HH12      ARG  33 103.129   1.970  -7.672
  241   1HH2  ARG  33          HH21      ARG  33 103.656   3.935 -10.513
  242   2HH2  ARG  33          HH22      ARG  33 102.476   3.155  -9.515
  243    H    ASP  34           HN       ASP  34 112.103   3.642  -7.461
  244    HA   ASP  34           HA       ASP  34 112.794   3.233 -10.238
  245   1HB   ASP  34          HB2       ASP  34 114.443   4.604  -8.109
  246   2HB   ASP  34          HB1       ASP  34 114.577   4.793  -9.855
  247    H    TRP  35           HN       TRP  35 113.256   1.479  -7.431
  248    HA   TRP  35           HA       TRP  35 114.500  -0.344  -6.917
  249   1HB   TRP  35          HB2       TRP  35 115.109  -0.146  -9.857
  250   2HB   TRP  35          HB1       TRP  35 115.868  -1.370  -8.846
  251    HD1  TRP  35           HD1      TRP  35 112.208  -0.168  -9.380
  252    HE1  TRP  35           HE1      TRP  35 110.716  -2.259  -9.569
  253    HE3  TRP  35           HE3      TRP  35 115.782  -3.767  -8.777
  254    HZ2  TRP  35           HZ2      TRP  35 111.018  -5.065  -9.472
  255    HZ3  TRP  35           HZ3      TRP  35 115.101  -6.130  -8.833
  256    HH2  TRP  35           HH2      TRP  35 112.767  -6.765  -9.174
  257    H    SER  36           HN       SER  36 115.579   2.496  -6.878
  258    HA   SER  36           HA       SER  36 118.356   2.417  -7.353
  259   1HB   SER  36          HB2       SER  36 118.456   4.428  -5.930
  260   2HB   SER  36          HB1       SER  36 117.126   4.528  -7.085
  261    HG   SER  36           HG       SER  36 115.821   3.646  -5.271
  262    H    ASP  37           HN       ASP  37 116.379   1.251  -4.760
  263    HA   ASP  37           HA       ASP  37 118.408   1.076  -2.777
  264   1HB   ASP  37          HB2       ASP  37 115.997   1.061  -2.237
  265   2HB   ASP  37          HB1       ASP  37 115.839  -0.503  -3.030
  266    H    GLU  38           HN       GLU  38 117.230  -1.089  -5.293
  267    HA   GLU  38           HA       GLU  38 119.226  -3.088  -4.473
  268   1HB   GLU  38          HB2       GLU  38 117.053  -3.553  -6.498
  269   2HB   GLU  38          HB1       GLU  38 117.943  -4.739  -5.553
  270   1HG   GLU  38          HG2       GLU  38 116.127  -2.746  -4.251
  271   2HG   GLU  38          HG1       GLU  38 115.519  -4.260  -4.917
  272    HA   PRO  39           HA       PRO  39 120.924  -1.230  -8.400
  273   1HB   PRO  39          HB2       PRO  39 123.357  -0.569  -7.492
  274   2HB   PRO  39          HB1       PRO  39 121.960   0.482  -7.225
  275   1HG   PRO  39          HG2       PRO  39 123.231  -1.486  -5.353
  276   2HG   PRO  39          HG1       PRO  39 122.698   0.176  -5.031
  277   1HD   PRO  39          HD2       PRO  39 121.209  -2.008  -4.383
  278   2HD   PRO  39          HD1       PRO  39 120.499  -0.438  -4.807
  279    H    ILE  40           HN       ILE  40 120.968  -3.268  -9.351
  280    HA   ILE  40           HA       ILE  40 122.349  -5.511  -8.575
  281    HB   ILE  40           HB       ILE  40 122.005  -4.639 -11.445
  282   1HG1  ILE  40          HG12      ILE  40 120.111  -6.107  -9.594
  283   2HG1  ILE  40          HG11      ILE  40 119.866  -4.512 -10.297
  284   1HG2  ILE  40          HG21      ILE  40 121.763  -7.473 -10.773
  285   2HG2  ILE  40          HG22      ILE  40 123.365  -6.805 -10.465
  286   3HG2  ILE  40          HG23      ILE  40 122.655  -6.686 -12.074
  287   1HD1  ILE  40          HD11      ILE  40 120.342  -6.422 -12.373
  288   2HD1  ILE  40          HD12      ILE  40 118.933  -5.400 -12.089
  289   3HD1  ILE  40          HD13      ILE  40 119.046  -6.981 -11.315
  290    H    LYS  41           HN       LYS  41 123.588  -2.819 -10.555
  291    HA   LYS  41           HA       LYS  41 126.108  -3.969 -11.069
  292   1HB   LYS  41          HB2       LYS  41 124.925  -1.248 -11.248
  293   2HB   LYS  41          HB1       LYS  41 126.679  -1.361 -11.235
  294   1HG   LYS  41          HG2       LYS  41 126.775  -2.292 -13.290
  295   2HG   LYS  41          HG1       LYS  41 125.263  -3.177 -13.080
  296   1HD   LYS  41          HD2       LYS  41 125.008  -0.246 -13.176
  297   2HD   LYS  41          HD1       LYS  41 125.551  -1.006 -14.673
  298   1HE   LYS  41          HE2       LYS  41 123.107  -1.845 -13.124
  299   2HE   LYS  41          HE1       LYS  41 123.081  -0.748 -14.504
  300   1HZ   LYS  41          HZ1       LYS  41 122.745  -3.366 -14.724
  301   2HZ   LYS  41          HZ2       LYS  41 124.424  -3.295 -14.909
  302   3HZ   LYS  41          HZ3       LYS  41 123.423  -2.421 -15.954
  303    H    GLU  42           HN       GLU  42 124.835  -2.223  -8.332
  304    HA   GLU  42           HA       GLU  42 127.503  -2.047  -7.130
  305   1HB   GLU  42          HB2       GLU  42 124.870  -0.828  -6.292
  306   2HB   GLU  42          HB1       GLU  42 126.379  -0.642  -5.409
  307   1HG   GLU  42          HG2       GLU  42 126.270   1.300  -6.640
  308   2HG   GLU  42          HG1       GLU  42 127.305   0.275  -7.633
  309    H    CYS  43           HN       CYS  43 125.084  -4.264  -7.251
  310    HA   CYS  43           HA       CYS  43 125.282  -5.042  -4.436
  311   1HB   CYS  43          HB2       CYS  43 123.370  -5.636  -6.646
  312   2HB   CYS  43          HB1       CYS  43 123.565  -6.837  -5.373
  313    H    GLY  44           HN       GLY  44 126.513  -6.679  -3.778
  314   1HA   GLY  44          HA2       GLY  44 127.904  -8.502  -3.818
  315   2HA   GLY  44          HA1       GLY  44 127.008  -9.037  -5.231
  316    H    THR  45           HN       THR  45 128.379  -5.949  -5.590
  317    HA   THR  45           HA       THR  45 130.209  -6.933  -7.582
  318    HB   THR  45           HB       THR  45 130.359  -4.091  -6.823
  319    HG1  THR  45           HG1      THR  45 128.278  -3.696  -7.771
  320   1HG2  THR  45          HG21      THR  45 130.726  -5.642  -9.148
  321   2HG2  THR  45          HG22      THR  45 130.969  -3.908  -8.931
  322   3HG2  THR  45          HG23      THR  45 129.401  -4.521  -9.458
  323    H    ASN  46           HN       ASN  46 131.989  -7.907  -6.760
  324    HA   ASN  46           HA       ASN  46 133.343  -6.939  -4.428
  325   1HB   ASN  46          HB2       ASN  46 133.415  -9.304  -4.941
  326   2HB   ASN  46          HB1       ASN  46 134.119  -8.979  -6.521
  327   1HD2  ASN  46          HD21      ASN  46 134.721  -8.388  -3.079
  328   2HD2  ASN  46          HD22      ASN  46 136.431  -8.624  -3.159
  329    H    GLU  47           HN       GLU  47 133.458  -4.713  -5.335
  330    HA   GLU  47           HA       GLU  47 135.365  -4.214  -7.436
  331   1HB   GLU  47          HB2       GLU  47 133.956  -2.289  -5.580
  332   2HB   GLU  47          HB1       GLU  47 134.849  -1.851  -7.027
  333   1HG   GLU  47          HG2       GLU  47 133.160  -2.390  -8.390
  334   2HG   GLU  47          HG1       GLU  47 132.736  -3.828  -7.461
  335    H    CYS  48           HN       CYS  48 135.355  -4.164  -3.934
  336    HA   CYS  48           HA       CYS  48 137.610  -2.596  -3.483
  337   1HB   CYS  48          HB2       CYS  48 136.458  -4.900  -1.957
  338   2HB   CYS  48          HB1       CYS  48 137.835  -3.977  -1.377
  339    H    LEU  49           HN       LEU  49 137.589  -6.085  -2.988
  340    HA   LEU  49           HA       LEU  49 140.351  -6.454  -3.181
  341   1HB   LEU  49          HB2       LEU  49 138.244  -8.474  -3.951
  342   2HB   LEU  49          HB1       LEU  49 139.890  -8.814  -3.456
  343    HG   LEU  49           HG       LEU  49 137.793  -7.577  -1.673
  344   1HD1  LEU  49          HD11      LEU  49 137.258  -9.626  -0.859
  345   2HD1  LEU  49          HD12      LEU  49 138.845 -10.307  -1.214
  346   3HD1  LEU  49          HD13      LEU  49 137.665 -10.097  -2.508
  347   1HD2  LEU  49          HD21      LEU  49 139.352  -7.410  -0.057
  348   2HD2  LEU  49          HD22      LEU  49 140.474  -7.366  -1.417
  349   3HD2  LEU  49          HD23      LEU  49 140.185  -8.880  -0.560
  350    H    ASP  50           HN       ASP  50 138.146  -5.632  -5.567
  351    HA   ASP  50           HA       ASP  50 139.005  -6.948  -7.799
  352   1HB   ASP  50          HB2       ASP  50 137.026  -5.296  -7.380
  353   2HB   ASP  50          HB1       ASP  50 138.168  -4.099  -7.985
  354    H    ASN  51           HN       ASN  51 140.869  -4.745  -6.005
  355    HA   ASN  51           HA       ASN  51 142.683  -4.468  -8.285
  356   1HB   ASN  51          HB2       ASN  51 143.128  -2.088  -7.624
  357   2HB   ASN  51          HB1       ASN  51 141.505  -2.365  -8.229
  358   1HD2  ASN  51          HD21      ASN  51 143.041  -0.597  -6.111
  359   2HD2  ASN  51          HD22      ASN  51 141.876  -0.510  -4.837
  360    H    ASN  52           HN       ASN  52 143.835  -2.498  -5.946
  361    HA   ASN  52           HA       ASN  52 145.827  -4.380  -5.056
  362   1HB   ASN  52          HB2       ASN  52 146.727  -2.359  -3.881
  363   2HB   ASN  52          HB1       ASN  52 146.463  -2.085  -5.600
  364   1HD2  ASN  52          HD21      ASN  52 144.927  -1.685  -2.450
  365   2HD2  ASN  52          HD22      ASN  52 144.008  -0.294  -2.879
  366    H    GLY  53           HN       GLY  53 143.090  -2.632  -3.838
  367   1HA   GLY  53          HA2       GLY  53 142.565  -4.391  -1.687
  368   2HA   GLY  53          HA1       GLY  53 143.384  -2.959  -1.103
  369    H    GLY  54           HN       GLY  54 141.308  -2.716  -3.893
  370   1HA   GLY  54          HA2       GLY  54 139.184  -1.904  -4.172
  371   2HA   GLY  54          HA1       GLY  54 138.995  -1.871  -2.428
  372    H    CYS  55           HN       CYS  55 141.230  -0.441  -1.800
  373    HA   CYS  55           HA       CYS  55 140.924   2.141  -3.093
  374   1HB   CYS  55          HB2       CYS  55 140.583   1.522  -0.162
  375   2HB   CYS  55          HB1       CYS  55 140.879   3.135  -0.775
  376    H    SER  56           HN       SER  56 142.669   0.131  -0.733
  377    HA   SER  56           HA       SER  56 145.127   0.796  -1.863
  378   1HB   SER  56          HB2       SER  56 144.430   2.162   0.720
  379   2HB   SER  56          HB1       SER  56 146.100   1.873   0.238
  380    HG   SER  56           HG       SER  56 145.956   3.443  -1.147
  381    H    HIS  57           HN       HIS  57 144.007   0.032   1.433
  382    HA   HIS  57           HA       HIS  57 145.773  -2.314   1.360
  383   1HB   HIS  57          HB2       HIS  57 144.597  -0.815   3.704
  384   2HB   HIS  57          HB1       HIS  57 145.609  -2.252   3.837
  385    HD1  HIS  57           HD1      HIS  57 147.029  -0.264   5.240
  386    HD2  HIS  57           HD2      HIS  57 147.031  -0.193   1.087
  387    HE1  HIS  57           HE1      HIS  57 149.009   1.152   4.597
  388    HE2  HIS  57           HE2      HIS  57 148.941   1.254   2.080
  389    H    VAL  58           HN       VAL  58 142.752  -1.518   3.077
  390    HA   VAL  58           HA       VAL  58 141.624  -4.007   2.033
  391    HB   VAL  58           HB       VAL  58 140.508  -4.079   4.469
  392   1HG1  VAL  58          HG11      VAL  58 141.936  -5.767   3.106
  393   2HG1  VAL  58          HG12      VAL  58 141.763  -5.976   4.850
  394   3HG1  VAL  58          HG13      VAL  58 143.235  -5.263   4.188
  395   1HG2  VAL  58          HG21      VAL  58 143.296  -3.370   5.252
  396   2HG2  VAL  58          HG22      VAL  58 141.813  -3.339   6.206
  397   3HG2  VAL  58          HG23      VAL  58 142.120  -2.077   5.014
  398    H    CYS  59           HN       CYS  59 139.872  -3.516   0.993
  399    HA   CYS  59           HA       CYS  59 138.169  -1.334   1.992
  400   1HB   CYS  59          HB2       CYS  59 139.000  -0.542  -0.020
  401   2HB   CYS  59          HB1       CYS  59 139.013  -2.114  -0.783
  402    H    ASN  60           HN       ASN  60 136.172  -1.846   2.561
  403    HA   ASN  60           HA       ASN  60 135.236  -4.573   2.110
  404   1HB   ASN  60          HB2       ASN  60 133.494  -4.012   3.780
  405   2HB   ASN  60          HB1       ASN  60 135.122  -3.747   4.392
  406   1HD2  ASN  60          HD21      ASN  60 133.150  -2.565   5.711
  407   2HD2  ASN  60          HD22      ASN  60 133.113  -0.866   5.406
  408    H    ASP  61           HN       ASP  61 133.937  -5.025   0.468
  409    HA   ASP  61           HA       ASP  61 132.496  -2.869  -0.853
  410   1HB   ASP  61          HB2       ASP  61 133.858  -5.051  -1.825
  411   2HB   ASP  61          HB1       ASP  61 132.178  -5.556  -1.966
  412    H    LEU  62           HN       LEU  62 130.533  -2.403  -0.239
  413    HA   LEU  62           HA       LEU  62 128.854  -4.453   1.001
  414   1HB   LEU  62          HB2       LEU  62 128.027  -1.595   0.659
  415   2HB   LEU  62          HB1       LEU  62 127.536  -2.743   1.878
  416    HG   LEU  62           HG       LEU  62 130.171  -1.297   1.705
  417   1HD1  LEU  62          HD11      LEU  62 127.833  -0.470   2.790
  418   2HD1  LEU  62          HD12      LEU  62 129.427   0.019   3.366
  419   3HD1  LEU  62          HD13      LEU  62 128.567  -1.298   4.164
  420   1HD2  LEU  62          HD21      LEU  62 129.415  -3.778   3.125
  421   2HD2  LEU  62          HD22      LEU  62 130.331  -2.582   4.042
  422   3HD2  LEU  62          HD23      LEU  62 130.989  -3.236   2.543
  423    H    LYS  63           HN       LYS  63 126.515  -4.474   0.403
  424    HA   LYS  63           HA       LYS  63 126.259  -4.962  -2.386
  425   1HB   LYS  63          HB2       LYS  63 123.925  -4.702  -0.512
  426   2HB   LYS  63          HB1       LYS  63 124.096  -5.747  -1.913
  427   1HG   LYS  63          HG2       LYS  63 125.405  -6.055   0.775
  428   2HG   LYS  63          HG1       LYS  63 124.211  -7.113   0.023
  429   1HD   LYS  63          HD2       LYS  63 125.969  -8.329  -0.645
  430   2HD   LYS  63          HD1       LYS  63 126.215  -7.061  -1.848
  431   1HE   LYS  63          HE2       LYS  63 128.156  -6.506  -0.921
  432   2HE   LYS  63          HE1       LYS  63 127.376  -6.253   0.641
  433   1HZ   LYS  63          HZ1       LYS  63 129.230  -8.084   0.258
  434   2HZ   LYS  63          HZ2       LYS  63 127.878  -9.013  -0.153
  435   3HZ   LYS  63          HZ3       LYS  63 127.974  -8.292   1.374
  436    H    ILE  64           HN       ILE  64 125.741  -2.205  -0.390
  437    HA   ILE  64           HA       ILE  64 124.418  -0.832  -2.634
  438    HB   ILE  64           HB       ILE  64 123.007  -1.083  -0.590
  439   1HG1  ILE  64          HG12      ILE  64 122.983   1.713  -0.476
  440   2HG1  ILE  64          HG11      ILE  64 123.594   1.329  -2.083
  441   1HG2  ILE  64          HG21      ILE  64 124.147   1.032   0.957
  442   2HG2  ILE  64          HG22      ILE  64 125.351  -0.235   0.720
  443   3HG2  ILE  64          HG23      ILE  64 123.787  -0.627   1.434
  444   1HD1  ILE  64          HD11      ILE  64 121.153  -0.039  -1.056
  445   2HD1  ILE  64          HD12      ILE  64 121.644   0.287  -2.719
  446   3HD1  ILE  64          HD13      ILE  64 121.051   1.600  -1.701
  447    H    GLY  65           HN       GLY  65 127.316  -1.146  -2.110
  448   1HA   GLY  65          HA2       GLY  65 128.607   0.851  -3.023
  449   2HA   GLY  65          HA1       GLY  65 128.032   1.665  -1.578
  450    H    TYR  66           HN       TYR  66 130.747   0.791  -2.664
  451    HA   TYR  66           HA       TYR  66 131.657  -0.801  -0.384
  452   1HB   TYR  66          HB2       TYR  66 133.601  -1.344  -1.660
  453   2HB   TYR  66          HB1       TYR  66 132.215  -1.535  -2.722
  454    HD1  TYR  66           HD1      TYR  66 132.308  -0.616  -4.844
  455    HD2  TYR  66           HD2      TYR  66 134.795   1.012  -1.798
  456    HE1  TYR  66           HE1      TYR  66 133.365   0.858  -6.501
  457    HE2  TYR  66           HE2      TYR  66 135.858   2.490  -3.449
  458    HH   TYR  66           HH       TYR  66 134.593   3.000  -6.546
  459    H    GLU  67           HN       GLU  67 133.243  -0.101   1.009
  460    HA   GLU  67           HA       GLU  67 134.143   2.683   0.685
  461   1HB   GLU  67          HB2       GLU  67 134.167   2.196   3.434
  462   2HB   GLU  67          HB1       GLU  67 133.059   3.236   2.557
  463   1HG   GLU  67          HG2       GLU  67 132.503   0.313   2.829
  464   2HG   GLU  67          HG1       GLU  67 132.132   1.426   4.145
  465    H    CYS  68           HN       CYS  68 136.093   3.159   2.067
  466    HA   CYS  68           HA       CYS  68 137.967   0.933   1.765
  467   1HB   CYS  68          HB2       CYS  68 138.817   3.719   2.458
  468   2HB   CYS  68          HB1       CYS  68 139.667   2.495   1.523
  469    H    LEU  69           HN       LEU  69 139.084   0.056   3.426
  470    HA   LEU  69           HA       LEU  69 138.441   1.050   6.122
  471   1HB   LEU  69          HB2       LEU  69 139.382  -1.735   5.507
  472   2HB   LEU  69          HB1       LEU  69 138.560  -1.154   6.940
  473    HG   LEU  69           HG       LEU  69 137.375  -1.668   4.220
  474   1HD1  LEU  69          HD11      LEU  69 137.137  -3.664   5.218
  475   2HD1  LEU  69          HD12      LEU  69 135.797  -2.879   6.054
  476   3HD1  LEU  69          HD13      LEU  69 137.374  -3.003   6.836
  477   1HD2  LEU  69          HD21      LEU  69 135.356  -0.933   6.047
  478   2HD2  LEU  69          HD22      LEU  69 135.847  -0.094   4.575
  479   3HD2  LEU  69          HD23      LEU  69 136.591   0.325   6.119
  480    H    CYS  70           HN       CYS  70 140.172   0.396   7.775
  481    HA   CYS  70           HA       CYS  70 142.855   0.090   6.898
  482   1HB   CYS  70          HB2       CYS  70 142.149   2.566   6.389
  483   2HB   CYS  70          HB1       CYS  70 142.370   2.782   8.121
  484    HA   PRO  71           HA       PRO  71 143.175  -1.595  10.985
  485   1HB   PRO  71          HB2       PRO  71 145.805  -0.590  11.413
  486   2HB   PRO  71          HB1       PRO  71 145.346  -2.212  10.893
  487   1HG   PRO  71          HG2       PRO  71 146.249   0.105   9.280
  488   2HG   PRO  71          HG1       PRO  71 146.435  -1.629   8.966
  489   1HD   PRO  71          HD2       PRO  71 144.691  -0.137   7.584
  490   2HD   PRO  71          HD1       PRO  71 144.314  -1.812   8.039
  491    H    ASP  72           HN       ASP  72 143.534  -0.896  13.215
  492    HA   ASP  72           HA       ASP  72 142.304   1.544  13.788
  493   1HB   ASP  72          HB2       ASP  72 144.049  -0.146  15.591
  494   2HB   ASP  72          HB1       ASP  72 142.938   1.112  16.126
  495    H    GLY  73           HN       GLY  73 143.092   3.437  14.780
  496   1HA   GLY  73          HA2       GLY  73 144.527   5.204  15.055
  497   2HA   GLY  73          HA1       GLY  73 145.812   4.018  15.203
  498    H    PHE  74           HN       PHE  74 143.978   3.996  12.266
  499    HA   PHE  74           HA       PHE  74 146.203   5.391  10.926
  500   1HB   PHE  74          HB2       PHE  74 144.667   2.957  10.065
  501   2HB   PHE  74          HB1       PHE  74 145.551   3.939   8.912
  502    HD1  PHE  74           HD1      PHE  74 145.781   1.427  11.487
  503    HD2  PHE  74           HD2      PHE  74 148.014   4.175   9.131
  504    HE1  PHE  74           HE1      PHE  74 147.845   0.202  12.026
  505    HE2  PHE  74           HE2      PHE  74 150.084   2.955   9.664
  506    HZ   PHE  74           HZ       PHE  74 150.001   0.965  11.113
  507    H    GLN  75           HN       GLN  75 145.754   6.885   9.436
  508    HA   GLN  75           HA       GLN  75 142.926   7.598   9.065
  509   1HB   GLN  75          HB2       GLN  75 145.011   9.146  10.003
  510   2HB   GLN  75          HB1       GLN  75 144.893   9.629   8.317
  511   1HG   GLN  75          HG2       GLN  75 143.557  11.047   9.803
  512   2HG   GLN  75          HG1       GLN  75 142.576  10.216   8.597
  513   1HE2  GLN  75          HE21      GLN  75 140.718  10.448   9.844
  514   2HE2  GLN  75          HE22      GLN  75 140.441   9.502  11.263
  515    H    LEU  76           HN       LEU  76 142.179   6.906   7.180
  516    HA   LEU  76           HA       LEU  76 143.803   6.267   4.961
  517   1HB   LEU  76          HB2       LEU  76 141.692   5.148   5.316
  518   2HB   LEU  76          HB1       LEU  76 140.824   6.666   5.200
  519    HG   LEU  76           HG       LEU  76 142.122   6.560   2.779
  520   1HD1  LEU  76          HD11      LEU  76 141.745   3.820   3.804
  521   2HD1  LEU  76          HD12      LEU  76 142.875   4.440   2.602
  522   3HD1  LEU  76          HD13      LEU  76 141.200   4.118   2.154
  523   1HD2  LEU  76          HD21      LEU  76 139.917   7.249   2.784
  524   2HD2  LEU  76          HD22      LEU  76 139.370   5.846   3.702
  525   3HD2  LEU  76          HD23      LEU  76 139.807   5.672   2.003
  526    H    VAL  77           HN       VAL  77 144.834   7.726   3.696
  527    HA   VAL  77           HA       VAL  77 143.718  10.386   3.401
  528    HB   VAL  77           HB       VAL  77 146.365   9.400   2.366
  529   1HG1  VAL  77          HG11      VAL  77 146.823  11.531   1.808
  530   2HG1  VAL  77          HG12      VAL  77 145.996  12.189   3.219
  531   3HG1  VAL  77          HG13      VAL  77 145.068  11.706   1.800
  532   1HG2  VAL  77          HG21      VAL  77 146.289   8.994   4.759
  533   2HG2  VAL  77          HG22      VAL  77 145.746  10.648   5.043
  534   3HG2  VAL  77          HG23      VAL  77 147.362  10.348   4.404
  535    H    ALA  78           HN       ALA  78 143.141  11.309   1.496
  536    HA   ALA  78           HA       ALA  78 142.585  11.523  -0.710
  537   1HB   ALA  78          HB1       ALA  78 143.841  10.512  -2.306
  538   2HB   ALA  78          HB2       ALA  78 143.762   8.931  -1.528
  539   3HB   ALA  78          HB3       ALA  78 144.862  10.164  -0.911
  540    H    GLN  79           HN       GLN  79 141.186   9.720   1.366
  541    HA   GLN  79           HA       GLN  79 139.225   8.585   1.469
  542   1HB   GLN  79          HB2       GLN  79 138.940   9.180  -1.477
  543   2HB   GLN  79          HB1       GLN  79 137.655   8.763  -0.351
  544   1HG   GLN  79          HG2       GLN  79 138.730  10.958   0.840
  545   2HG   GLN  79          HG1       GLN  79 138.950  11.333  -0.868
  546   1HE2  GLN  79          HE21      GLN  79 136.804  10.366  -2.082
  547   2HE2  GLN  79          HE22      GLN  79 135.353  11.085  -1.478
  548    H    ARG  80           HN       ARG  80 141.854   7.372   0.306
  549    HA   ARG  80           HA       ARG  80 140.746   4.743   0.005
  550   1HB   ARG  80          HB2       ARG  80 142.064   6.086  -2.341
  551   2HB   ARG  80          HB1       ARG  80 142.019   4.343  -2.178
  552   1HG   ARG  80          HG2       ARG  80 139.418   4.896  -1.825
  553   2HG   ARG  80          HG1       ARG  80 139.876   6.235  -2.876
  554   1HD   ARG  80          HD2       ARG  80 141.064   3.856  -3.895
  555   2HD   ARG  80          HD1       ARG  80 139.363   3.525  -3.574
  556    HE   ARG  80           HE       ARG  80 139.797   5.987  -4.985
  557   1HH1  ARG  80          HH11      ARG  80 139.410   2.535  -5.325
  558   2HH1  ARG  80          HH12      ARG  80 138.851   2.633  -6.961
  559   1HH2  ARG  80          HH21      ARG  80 139.061   6.117  -7.137
  560   2HH2  ARG  80          HH22      ARG  80 138.653   4.666  -7.990
  561    H    ARG  81           HN       ARG  81 143.556   6.846   0.107
  562    HA   ARG  81           HA       ARG  81 145.396   4.657   0.445
  563   1HB   ARG  81          HB2       ARG  81 145.804   7.035  -0.586
  564   2HB   ARG  81          HB1       ARG  81 146.114   7.476   1.088
  565   1HG   ARG  81          HG2       ARG  81 148.220   6.896   0.598
  566   2HG   ARG  81          HG1       ARG  81 147.636   5.253   0.867
  567   1HD   ARG  81          HD2       ARG  81 147.926   4.706  -1.274
  568   2HD   ARG  81          HD1       ARG  81 147.096   6.159  -1.831
  569    HE   ARG  81           HE       ARG  81 149.901   5.733  -1.745
  570   1HH1  ARG  81          HH11      ARG  81 147.467   8.199  -1.324
  571   2HH1  ARG  81          HH12      ARG  81 148.528   9.497  -1.755
  572   1HH2  ARG  81          HH21      ARG  81 151.299   7.440  -2.312
  573   2HH2  ARG  81          HH22      ARG  81 150.704   9.067  -2.316
  574    H    CYS  82           HN       CYS  82 146.679   4.266   2.304
  575    HA   CYS  82           HA       CYS  82 145.268   4.950   4.786
  576   1HB   CYS  82          HB2       CYS  82 146.747   2.549   3.875
  577   2HB   CYS  82          HB1       CYS  82 146.869   2.960   5.581
  578    H    GLU  83           HN       GLU  83 146.384   5.660   6.603
  579    HA   GLU  83           HA       GLU  83 148.641   7.293   6.089
  580   1HB   GLU  83          HB2       GLU  83 146.916   7.782   7.817
  581   2HB   GLU  83          HB1       GLU  83 147.539   6.442   8.769
  582   1HG   GLU  83          HG2       GLU  83 149.795   7.898   8.308
  583   2HG   GLU  83          HG1       GLU  83 148.565   9.154   8.438
  Start of MODEL    3
    1   1H    GLY   1           HT1      GLY   1  98.261  -0.456   5.875
    2   2H    GLY   1           HT2      GLY   1  98.917  -0.059   4.368
    3   3H    GLY   1           HT3      GLY   1  97.324   0.373   4.737
    4   1HA   GLY   1          HA1       GLY   1  99.278   2.102   4.897
    5   2HA   GLY   1          HA2       GLY   1  97.908   2.141   5.997
    6    H    ASN   2           HN       ASN   2 101.277   1.286   5.625
    7    HA   ASN   2           HA       ASN   2 101.488   0.751   8.502
    8   1HB   ASN   2          HB2       ASN   2 103.103   0.011   6.115
    9   2HB   ASN   2          HB1       ASN   2 103.966   0.239   7.632
   10   1HD2  ASN   2          HD21      ASN   2 103.387  -2.167   5.987
   11   2HD2  ASN   2          HD22      ASN   2 102.658  -3.290   7.079
   12    H    VAL   3           HN       VAL   3 102.619   2.038   9.865
   13    HA   VAL   3           HA       VAL   3 103.259   4.695   8.958
   14    HB   VAL   3           HB       VAL   3 103.946   5.036  11.372
   15   1HG1  VAL   3          HG11      VAL   3 101.690   5.192  12.150
   16   2HG1  VAL   3          HG12      VAL   3 101.150   3.982  10.985
   17   3HG1  VAL   3          HG13      VAL   3 101.698   5.562  10.425
   18   1HG2  VAL   3          HG21      VAL   3 104.056   2.305  11.453
   19   2HG2  VAL   3          HG22      VAL   3 102.508   2.638  12.228
   20   3HG2  VAL   3          HG23      VAL   3 103.985   3.363  12.863
   21    H    THR   4           HN       THR   4 105.107   5.029   7.904
   22    HA   THR   4           HA       THR   4 107.480   3.474   8.561
   23    HB   THR   4           HB       THR   4 108.470   4.601   6.583
   24    HG1  THR   4           HG1      THR   4 107.539   6.474   6.244
   25   1HG2  THR   4          HG21      THR   4 107.575   3.135   5.178
   26   2HG2  THR   4          HG22      THR   4 105.953   3.797   5.378
   27   3HG2  THR   4          HG23      THR   4 106.576   2.626   6.539
   28    H    LEU   5           HN       LEU   5 109.194   4.228   9.656
   29    HA   LEU   5           HA       LEU   5 109.237   7.097  10.331
   30   1HB   LEU   5          HB2       LEU   5 108.680   5.236  12.137
   31   2HB   LEU   5          HB1       LEU   5 110.426   5.091  12.183
   32    HG   LEU   5           HG       LEU   5 109.724   6.579  13.933
   33   1HD1  LEU   5          HD11      LEU   5 110.774   8.434  11.836
   34   2HD1  LEU   5          HD12      LEU   5 111.759   7.095  12.425
   35   3HD1  LEU   5          HD13      LEU   5 111.189   8.330  13.547
   36   1HD2  LEU   5          HD21      LEU   5 108.536   8.440  11.903
   37   2HD2  LEU   5          HD22      LEU   5 108.350   8.448  13.656
   38   3HD2  LEU   5          HD23      LEU   5 107.570   7.194  12.692
   39    H    CYS   6           HN       CYS   6 110.665   7.448   8.554
   40    HA   CYS   6           HA       CYS   6 113.317   6.223   8.775
   41   1HB   CYS   6          HB2       CYS   6 113.726   6.998   6.537
   42   2HB   CYS   6          HB1       CYS   6 112.140   6.233   6.564
   43    H    GLU   7           HN       GLU   7 112.408   8.208  10.676
   44    HA   GLU   7           HA       GLU   7 113.651  10.705  10.017
   45   1HB   GLU   7          HB2       GLU   7 112.614   9.622  12.640
   46   2HB   GLU   7          HB1       GLU   7 113.188  11.266  12.399
   47   1HG   GLU   7          HG2       GLU   7 111.138  10.411  10.494
   48   2HG   GLU   7          HG1       GLU   7 110.606  10.458  12.173
   49    H    GLY   8           HN       GLY   8 115.121  11.591  11.919
   50   1HA   GLY   8          HA2       GLY   8 117.370  11.670  12.487
   51   2HA   GLY   8          HA1       GLY   8 116.904  10.253  13.411
   52    HA   PRO   9           HA       PRO   9 120.310   8.993  10.532
   53   1HB   PRO   9          HB2       PRO   9 121.393   7.609  12.860
   54   2HB   PRO   9          HB1       PRO   9 122.138   8.859  11.863
   55   1HG   PRO   9          HG2       PRO   9 121.359   9.298  14.417
   56   2HG   PRO   9          HG1       PRO   9 121.347  10.567  13.179
   57   1HD   PRO   9          HD2       PRO   9 119.072   8.923  14.234
   58   2HD   PRO   9          HD1       PRO   9 119.128  10.659  13.858
   59    H    ASN  10           HN       ASN  10 120.652   6.994   9.619
   60    HA   ASN  10           HA       ASN  10 120.531   4.710   9.321
   61   1HB   ASN  10          HB2       ASN  10 119.693   3.238  10.871
   62   2HB   ASN  10          HB1       ASN  10 119.989   4.624  11.910
   63   1HD2  ASN  10          HD21      ASN  10 118.210   2.525  12.473
   64   2HD2  ASN  10          HD22      ASN  10 116.611   3.175  12.539
   65    H    LYS  11           HN       LYS  11 118.809   6.996   8.362
   66    HA   LYS  11           HA       LYS  11 116.410   5.543   7.551
   67   1HB   LYS  11          HB2       LYS  11 115.667   7.746   6.655
   68   2HB   LYS  11          HB1       LYS  11 116.007   7.762   8.377
   69   1HG   LYS  11          HG2       LYS  11 116.878   9.764   7.486
   70   2HG   LYS  11          HG1       LYS  11 118.257   8.721   7.830
   71   1HD   LYS  11          HD2       LYS  11 118.804   8.507   5.643
   72   2HD   LYS  11          HD1       LYS  11 117.118   8.497   5.118
   73   1HE   LYS  11          HE2       LYS  11 116.977  10.868   5.267
   74   2HE   LYS  11          HE1       LYS  11 118.534  10.971   6.086
   75   1HZ   LYS  11          HZ1       LYS  11 118.934  11.574   3.873
   76   2HZ   LYS  11          HZ2       LYS  11 118.005  10.304   3.252
   77   3HZ   LYS  11          HZ3       LYS  11 119.493   9.981   3.987
   78    H    PHE  12           HN       PHE  12 115.762   5.442   5.336
   79    HA   PHE  12           HA       PHE  12 117.887   5.842   3.359
   80   1HB   PHE  12          HB2       PHE  12 117.903   3.455   4.196
   81   2HB   PHE  12          HB1       PHE  12 116.295   3.279   3.499
   82    HD1  PHE  12           HD1      PHE  12 119.839   3.928   2.708
   83    HD2  PHE  12           HD2      PHE  12 115.992   2.931   1.187
   84    HE1  PHE  12           HE1      PHE  12 120.846   3.378   0.531
   85    HE2  PHE  12           HE2      PHE  12 116.991   2.378  -0.992
   86    HZ   PHE  12           HZ       PHE  12 119.420   2.602  -1.323
   87    H    LYS  13           HN       LYS  13 117.180   6.372   1.324
   88    HA   LYS  13           HA       LYS  13 114.271   6.445   0.896
   89   1HB   LYS  13          HB2       LYS  13 114.680   8.627  -0.344
   90   2HB   LYS  13          HB1       LYS  13 114.791   8.693   1.409
   91   1HG   LYS  13          HG2       LYS  13 117.195   8.687   1.307
   92   2HG   LYS  13          HG1       LYS  13 117.153   8.459  -0.443
   93   1HD   LYS  13          HD2       LYS  13 115.947  10.839   0.960
   94   2HD   LYS  13          HD1       LYS  13 117.591  10.814   0.317
   95   1HE   LYS  13          HE2       LYS  13 116.290   9.976  -1.853
   96   2HE   LYS  13          HE1       LYS  13 114.989  10.901  -1.102
   97   1HZ   LYS  13          HZ1       LYS  13 117.474  11.824  -2.294
   98   2HZ   LYS  13          HZ2       LYS  13 116.992  12.626  -0.886
   99   3HZ   LYS  13          HZ3       LYS  13 115.960  12.576  -2.225
  100    H    CYS  14           HN       CYS  14 113.808   5.184  -0.777
  101    HA   CYS  14           HA       CYS  14 115.706   4.239  -2.631
  102   1HB   CYS  14          HB2       CYS  14 112.719   4.304  -3.065
  103   2HB   CYS  14          HB1       CYS  14 113.880   3.167  -3.740
  104    H    HIS  15           HN       HIS  15 114.692   4.399  -5.123
  105    HA   HIS  15           HA       HIS  15 115.410   7.083  -5.890
  106   1HB   HIS  15          HB2       HIS  15 115.823   4.691  -7.065
  107   2HB   HIS  15          HB1       HIS  15 114.375   5.196  -7.929
  108    HD1  HIS  15           HD1      HIS  15 117.098   7.569  -6.850
  109    HD2  HIS  15           HD2      HIS  15 115.614   5.814 -10.312
  110    HE1  HIS  15           HE1      HIS  15 118.268   8.731  -8.749
  111    HE2  HIS  15           HE2      HIS  15 117.415   7.597 -10.829
  112    H    SER  16           HN       SER  16 112.499   5.166  -5.663
  113    HA   SER  16           HA       SER  16 110.894   7.075  -7.122
  114   1HB   SER  16          HB2       SER  16 110.440   4.432  -5.840
  115   2HB   SER  16          HB1       SER  16 109.045   5.499  -5.992
  116    HG   SER  16           HG       SER  16 108.973   4.944  -8.004
  117    H    GLY  17           HN       GLY  17 112.141   6.973  -4.024
  118   1HA   GLY  17          HA2       GLY  17 111.779   8.781  -2.512
  119   2HA   GLY  17          HA1       GLY  17 110.142   8.930  -3.132
  120    H    GLU  18           HN       GLU  18 111.446   5.803  -2.345
  121    HA   GLU  18           HA       GLU  18 109.414   5.492  -0.293
  122   1HB   GLU  18          HB2       GLU  18 110.949   3.724  -2.037
  123   2HB   GLU  18          HB1       GLU  18 110.850   3.126  -0.386
  124   1HG   GLU  18          HG2       GLU  18 108.292   3.749  -0.728
  125   2HG   GLU  18          HG1       GLU  18 108.725   3.471  -2.414
  126    H    CYS  19           HN       CYS  19 109.806   5.840   1.780
  127    HA   CYS  19           HA       CYS  19 112.560   6.051   2.711
  128   1HB   CYS  19          HB2       CYS  19 110.136   7.389   3.316
  129   2HB   CYS  19          HB1       CYS  19 110.641   6.555   4.781
  130    H    ILE  20           HN       ILE  20 113.518   4.274   3.503
  131    HA   ILE  20           HA       ILE  20 112.044   2.593   5.373
  132    HB   ILE  20           HB       ILE  20 113.180   0.574   4.227
  133   1HG1  ILE  20          HG12      ILE  20 113.225   2.634   2.015
  134   2HG1  ILE  20          HG11      ILE  20 114.579   1.698   2.638
  135   1HG2  ILE  20          HG21      ILE  20 111.228   0.227   2.805
  136   2HG2  ILE  20          HG22      ILE  20 110.835   1.942   2.913
  137   3HG2  ILE  20          HG23      ILE  20 110.766   0.929   4.355
  138   1HD1  ILE  20          HD11      ILE  20 112.781  -0.219   1.787
  139   2HD1  ILE  20          HD12      ILE  20 114.232   0.317   0.939
  140   3HD1  ILE  20          HD13      ILE  20 112.672   1.049   0.568
  141    H    THR  21           HN       THR  21 113.711   0.854   6.244
  142    HA   THR  21           HA       THR  21 115.868   2.364   7.371
  143    HB   THR  21           HB       THR  21 115.153  -0.558   7.627
  144    HG1  THR  21           HG1      THR  21 114.020   0.033   9.367
  145   1HG2  THR  21          HG21      THR  21 117.352   1.002   8.769
  146   2HG2  THR  21          HG22      THR  21 117.171  -0.741   8.571
  147   3HG2  THR  21          HG23      THR  21 116.407   0.075   9.934
  148    H    LEU  22           HN       LEU  22 118.088   1.960   7.179
  149    HA   LEU  22           HA       LEU  22 118.922   1.164   4.554
  150   1HB   LEU  22          HB2       LEU  22 121.165   1.766   5.305
  151   2HB   LEU  22          HB1       LEU  22 120.004   3.023   5.692
  152    HG   LEU  22           HG       LEU  22 119.912   1.988   8.032
  153   1HD1  LEU  22          HD11      LEU  22 121.044   0.094   8.322
  154   2HD1  LEU  22          HD12      LEU  22 122.525   1.040   8.180
  155   3HD1  LEU  22          HD13      LEU  22 121.842   0.251   6.758
  156   1HD2  LEU  22          HD21      LEU  22 120.998   4.129   7.446
  157   2HD2  LEU  22          HD22      LEU  22 122.496   3.254   7.124
  158   3HD2  LEU  22          HD23      LEU  22 121.822   3.279   8.754
  159    H    ASP  23           HN       ASP  23 118.927  -0.306   7.730
  160    HA   ASP  23           HA       ASP  23 120.839  -2.218   7.565
  161   1HB   ASP  23          HB2       ASP  23 118.032  -2.660   8.563
  162   2HB   ASP  23          HB1       ASP  23 119.420  -3.664   8.954
  163    H    LYS  24           HN       LYS  24 117.437  -2.886   6.605
  164    HA   LYS  24           HA       LYS  24 118.054  -5.302   5.421
  165   1HB   LYS  24          HB2       LYS  24 115.802  -5.059   4.364
  166   2HB   LYS  24          HB1       LYS  24 115.819  -4.842   6.103
  167   1HG   LYS  24          HG2       LYS  24 114.425  -3.154   5.325
  168   2HG   LYS  24          HG1       LYS  24 115.965  -2.337   5.591
  169   1HD   LYS  24          HD2       LYS  24 116.451  -2.275   3.292
  170   2HD   LYS  24          HD1       LYS  24 115.207  -3.468   2.914
  171   1HE   LYS  24          HE2       LYS  24 114.886  -0.578   3.652
  172   2HE   LYS  24          HE1       LYS  24 114.291  -1.430   2.227
  173   1HZ   LYS  24          HZ1       LYS  24 112.398  -1.266   3.469
  174   2HZ   LYS  24          HZ2       LYS  24 113.204  -1.382   4.952
  175   3HZ   LYS  24          HZ3       LYS  24 112.963  -2.766   4.010
  176    H    VAL  25           HN       VAL  25 119.538  -2.773   4.409
  177    HA   VAL  25           HA       VAL  25 118.885  -2.321   1.732
  178    HB   VAL  25           HB       VAL  25 121.273  -1.860   3.421
  179   1HG1  VAL  25          HG11      VAL  25 122.499  -1.027   1.331
  180   2HG1  VAL  25          HG12      VAL  25 121.447  -2.133   0.448
  181   3HG1  VAL  25          HG13      VAL  25 122.534  -2.752   1.693
  182   1HG2  VAL  25          HG21      VAL  25 120.200  -0.004   1.349
  183   2HG2  VAL  25          HG22      VAL  25 120.906   0.357   2.924
  184   3HG2  VAL  25          HG23      VAL  25 119.272  -0.299   2.820
  185    H    CYS  26           HN       CYS  26 119.080  -3.516  -0.032
  186    HA   CYS  26           HA       CYS  26 119.502  -5.292  -1.392
  187   1HB   CYS  26          HB2       CYS  26 121.704  -4.262  -1.512
  188   2HB   CYS  26          HB1       CYS  26 122.202  -5.091  -0.042
  189    H    ASN  27           HN       ASN  27 117.939  -6.278   0.351
  190    HA   ASN  27           HA       ASN  27 119.236  -8.696   1.427
  191   1HB   ASN  27          HB2       ASN  27 117.493  -8.746   3.157
  192   2HB   ASN  27          HB1       ASN  27 118.407  -7.242   3.220
  193   1HD2  ASN  27          HD21      ASN  27 115.734  -7.847   4.203
  194   2HD2  ASN  27          HD22      ASN  27 114.673  -6.725   3.429
  195    H    MET  28           HN       MET  28 118.291 -10.655   1.054
  196    HA   MET  28           HA       MET  28 117.242 -11.516  -1.145
  197   1HB   MET  28          HB2       MET  28 117.347 -12.620   1.304
  198   2HB   MET  28          HB1       MET  28 115.603 -12.494   1.118
  199   1HG   MET  28          HG2       MET  28 116.148 -14.626   0.342
  200   2HG   MET  28          HG1       MET  28 115.904 -13.660  -1.112
  201   1HE   MET  28          HE1       MET  28 119.795 -15.129   0.702
  202   2HE   MET  28          HE2       MET  28 118.395 -14.454   1.535
  203   3HE   MET  28          HE3       MET  28 119.617 -13.380   0.854
  204    H    ALA  29           HN       ALA  29 115.014 -10.194   1.314
  205    HA   ALA  29           HA       ALA  29 112.782 -10.254  -0.483
  206   1HB   ALA  29          HB1       ALA  29 112.141 -10.489   1.731
  207   2HB   ALA  29          HB2       ALA  29 111.758  -8.799   1.402
  208   3HB   ALA  29          HB3       ALA  29 113.226  -9.214   2.287
  209    H    ARG  30           HN       ARG  30 112.375  -8.838  -2.031
  210    HA   ARG  30           HA       ARG  30 113.907  -6.496  -2.428
  211   1HB   ARG  30          HB2       ARG  30 112.914  -7.699  -4.296
  212   2HB   ARG  30          HB1       ARG  30 111.299  -7.364  -3.687
  213   1HG   ARG  30          HG2       ARG  30 112.909  -4.965  -4.093
  214   2HG   ARG  30          HG1       ARG  30 112.634  -5.895  -5.565
  215   1HD   ARG  30          HD2       ARG  30 110.178  -5.810  -4.183
  216   2HD   ARG  30          HD1       ARG  30 110.836  -4.175  -4.149
  217    HE   ARG  30           HE       ARG  30 110.488  -4.019  -6.409
  218   1HH1  ARG  30          HH11      ARG  30 110.204  -7.361  -5.442
  219   2HH1  ARG  30          HH12      ARG  30 109.604  -7.884  -6.980
  220   1HH2  ARG  30          HH21      ARG  30 109.699  -4.706  -8.432
  221   2HH2  ARG  30          HH22      ARG  30 109.318  -6.377  -8.677
  222    H    ASP  31           HN       ASP  31 113.471  -4.363  -2.078
  223    HA   ASP  31           HA       ASP  31 111.104  -3.776  -0.424
  224   1HB   ASP  31          HB2       ASP  31 113.889  -3.249   0.016
  225   2HB   ASP  31          HB1       ASP  31 113.033  -1.715  -0.120
  226    H    CYS  32           HN       CYS  32 113.380  -1.607  -2.061
  227    HA   CYS  32           HA       CYS  32 111.353   0.130  -2.967
  228   1HB   CYS  32          HB2       CYS  32 114.090  -0.089  -4.212
  229   2HB   CYS  32          HB1       CYS  32 113.066   1.336  -4.082
  230    H    ARG  33           HN       ARG  33 110.187   0.212  -4.803
  231    HA   ARG  33           HA       ARG  33 109.820  -2.053  -6.384
  232   1HB   ARG  33          HB2       ARG  33 109.005   0.809  -6.604
  233   2HB   ARG  33          HB1       ARG  33 108.785  -0.231  -8.004
  234   1HG   ARG  33          HG2       ARG  33 107.644  -1.814  -6.245
  235   2HG   ARG  33          HG1       ARG  33 107.440  -0.304  -5.355
  236   1HD   ARG  33          HD2       ARG  33 105.515  -0.273  -6.572
  237   2HD   ARG  33          HD1       ARG  33 106.585   0.542  -7.713
  238    HE   ARG  33           HE       ARG  33 106.402  -1.254  -9.119
  239   1HH1  ARG  33          HH11      ARG  33 105.234  -2.169  -5.962
  240   2HH1  ARG  33          HH12      ARG  33 104.614  -3.696  -6.495
  241   1HH2  ARG  33          HH21      ARG  33 105.588  -3.261  -9.824
  242   2HH2  ARG  33          HH22      ARG  33 104.816  -4.316  -8.688
  243    H    ASP  34           HN       ASP  34 111.871   0.763  -6.867
  244    HA   ASP  34           HA       ASP  34 112.648  -0.040  -9.527
  245   1HB   ASP  34          HB2       ASP  34 113.945   2.060  -7.786
  246   2HB   ASP  34          HB1       ASP  34 114.032   1.918  -9.539
  247    H    TRP  35           HN       TRP  35 113.531  -0.993  -6.428
  248    HA   TRP  35           HA       TRP  35 115.135  -2.396  -5.653
  249   1HB   TRP  35          HB2       TRP  35 116.045  -2.554  -8.534
  250   2HB   TRP  35          HB1       TRP  35 116.585  -3.603  -7.229
  251    HD1  TRP  35           HD1      TRP  35 113.253  -2.687  -8.986
  252    HE1  TRP  35           HE1      TRP  35 111.781  -4.799  -9.039
  253    HE3  TRP  35           HE3      TRP  35 116.295  -5.857  -6.378
  254    HZ2  TRP  35           HZ2      TRP  35 111.896  -7.459  -8.094
  255    HZ3  TRP  35           HZ3      TRP  35 115.541  -8.167  -5.991
  256    HH2  TRP  35           HH2      TRP  35 113.386  -8.950  -6.832
  257    H    SER  36           HN       SER  36 115.513   0.582  -6.162
  258    HA   SER  36           HA       SER  36 118.208   1.122  -6.699
  259   1HB   SER  36          HB2       SER  36 115.973   2.630  -6.072
  260   2HB   SER  36          HB1       SER  36 117.030   2.889  -4.685
  261    HG   SER  36           HG       SER  36 117.450   3.514  -7.391
  262    H    ASP  37           HN       ASP  37 116.642  -0.186  -3.915
  263    HA   ASP  37           HA       ASP  37 118.876   0.318  -2.142
  264   1HB   ASP  37          HB2       ASP  37 116.689   0.407  -1.151
  265   2HB   ASP  37          HB1       ASP  37 116.275  -1.180  -1.789
  266    H    GLU  38           HN       GLU  38 117.584  -2.286  -4.096
  267    HA   GLU  38           HA       GLU  38 119.704  -4.066  -3.097
  268   1HB   GLU  38          HB2       GLU  38 117.371  -4.928  -4.790
  269   2HB   GLU  38          HB1       GLU  38 118.399  -5.917  -3.762
  270   1HG   GLU  38          HG2       GLU  38 117.328  -4.146  -1.977
  271   2HG   GLU  38          HG1       GLU  38 116.001  -4.390  -3.112
  272    HA   PRO  39           HA       PRO  39 120.956  -2.797  -7.438
  273   1HB   PRO  39          HB2       PRO  39 123.487  -2.059  -6.827
  274   2HB   PRO  39          HB1       PRO  39 122.120  -0.945  -6.707
  275   1HG   PRO  39          HG2       PRO  39 123.466  -2.527  -4.546
  276   2HG   PRO  39          HG1       PRO  39 122.959  -0.827  -4.534
  277   1HD   PRO  39          HD2       PRO  39 121.495  -2.777  -3.369
  278   2HD   PRO  39          HD1       PRO  39 120.752  -1.357  -4.135
  279    H    ILE  40           HN       ILE  40 120.959  -4.924  -8.136
  280    HA   ILE  40           HA       ILE  40 122.406  -7.057  -7.162
  281    HB   ILE  40           HB       ILE  40 121.780  -6.555 -10.074
  282   1HG1  ILE  40          HG12      ILE  40 120.134  -7.901  -7.919
  283   2HG1  ILE  40          HG11      ILE  40 119.779  -6.348  -8.668
  284   1HG2  ILE  40          HG21      ILE  40 122.969  -8.436 -10.333
  285   2HG2  ILE  40          HG22      ILE  40 121.562  -9.244  -9.641
  286   3HG2  ILE  40          HG23      ILE  40 122.928  -8.812  -8.611
  287   1HD1  ILE  40          HD11      ILE  40 119.468  -7.458 -10.818
  288   2HD1  ILE  40          HD12      ILE  40 118.382  -8.101  -9.584
  289   3HD1  ILE  40          HD13      ILE  40 119.815  -9.013 -10.061
  290    H    LYS  41           HN       LYS  41 123.439  -4.654  -9.568
  291    HA   LYS  41           HA       LYS  41 125.936  -5.872 -10.113
  292   1HB   LYS  41          HB2       LYS  41 124.686  -3.226 -10.658
  293   2HB   LYS  41          HB1       LYS  41 126.434  -3.351 -10.810
  294   1HG   LYS  41          HG2       LYS  41 125.758  -3.813 -12.949
  295   2HG   LYS  41          HG1       LYS  41 125.876  -5.437 -12.269
  296   1HD   LYS  41          HD2       LYS  41 123.822  -5.362 -13.441
  297   2HD   LYS  41          HD1       LYS  41 123.413  -5.250 -11.729
  298   1HE   LYS  41          HE2       LYS  41 123.665  -2.639 -12.317
  299   2HE   LYS  41          HE1       LYS  41 123.141  -3.250 -13.885
  300   1HZ   LYS  41          HZ1       LYS  41 121.725  -3.552 -11.294
  301   2HZ   LYS  41          HZ2       LYS  41 121.250  -4.314 -12.727
  302   3HZ   LYS  41          HZ3       LYS  41 121.231  -2.627 -12.621
  303    H    GLU  42           HN       GLU  42 124.837  -3.700  -7.621
  304    HA   GLU  42           HA       GLU  42 127.590  -3.255  -6.720
  305   1HB   GLU  42          HB2       GLU  42 125.067  -2.011  -5.625
  306   2HB   GLU  42          HB1       GLU  42 126.723  -1.499  -5.329
  307   1HG   GLU  42          HG2       GLU  42 126.583  -1.357  -8.042
  308   2HG   GLU  42          HG1       GLU  42 124.942  -0.916  -7.572
  309    H    CYS  43           HN       CYS  43 125.258  -5.514  -6.236
  310    HA   CYS  43           HA       CYS  43 125.691  -5.785  -3.362
  311   1HB   CYS  43          HB2       CYS  43 123.806  -7.097  -5.307
  312   2HB   CYS  43          HB1       CYS  43 124.049  -7.740  -3.687
  313    H    GLY  44           HN       GLY  44 127.223  -7.066  -2.577
  314   1HA   GLY  44          HA2       GLY  44 128.736  -8.788  -2.389
  315   2HA   GLY  44          HA1       GLY  44 127.821  -9.634  -3.629
  316    H    THR  45           HN       THR  45 128.808  -6.548  -4.607
  317    HA   THR  45           HA       THR  45 130.579  -7.630  -6.576
  318    HB   THR  45           HB       THR  45 130.596  -4.720  -6.192
  319    HG1  THR  45           HG1      THR  45 128.164  -6.075  -6.705
  320   1HG2  THR  45          HG21      THR  45 129.887  -6.508  -8.498
  321   2HG2  THR  45          HG22      THR  45 131.380  -5.599  -8.262
  322   3HG2  THR  45          HG23      THR  45 129.865  -4.746  -8.560
  323    H    ASN  46           HN       ASN  46 132.480  -8.375  -5.821
  324    HA   ASN  46           HA       ASN  46 133.944  -7.043  -3.741
  325   1HB   ASN  46          HB2       ASN  46 134.086  -9.454  -3.930
  326   2HB   ASN  46          HB1       ASN  46 134.673  -9.326  -5.583
  327   1HD2  ASN  46          HD21      ASN  46 135.472  -8.123  -2.342
  328   2HD2  ASN  46          HD22      ASN  46 137.177  -8.348  -2.492
  329    H    GLU  47           HN       GLU  47 133.778  -4.988  -5.101
  330    HA   GLU  47           HA       GLU  47 135.593  -4.744  -7.317
  331   1HB   GLU  47          HB2       GLU  47 134.220  -2.551  -5.759
  332   2HB   GLU  47          HB1       GLU  47 134.921  -2.422  -7.365
  333   1HG   GLU  47          HG2       GLU  47 133.100  -3.241  -8.353
  334   2HG   GLU  47          HG1       GLU  47 132.906  -4.514  -7.149
  335    H    CYS  48           HN       CYS  48 135.720  -4.188  -3.880
  336    HA   CYS  48           HA       CYS  48 137.861  -2.410  -3.761
  337   1HB   CYS  48          HB2       CYS  48 136.972  -4.558  -1.870
  338   2HB   CYS  48          HB1       CYS  48 138.264  -3.428  -1.493
  339    H    LEU  49           HN       LEU  49 138.128  -5.787  -2.781
  340    HA   LEU  49           HA       LEU  49 140.895  -5.992  -3.036
  341   1HB   LEU  49          HB2       LEU  49 138.895  -8.216  -3.465
  342   2HB   LEU  49          HB1       LEU  49 140.589  -8.409  -3.051
  343    HG   LEU  49           HG       LEU  49 138.465  -7.186  -1.288
  344   1HD1  LEU  49          HD11      LEU  49 138.726  -9.787  -1.761
  345   2HD1  LEU  49          HD12      LEU  49 138.335  -9.154  -0.163
  346   3HD1  LEU  49          HD13      LEU  49 139.993  -9.613  -0.547
  347   1HD2  LEU  49          HD21      LEU  49 141.428  -7.341  -1.088
  348   2HD2  LEU  49          HD22      LEU  49 140.472  -7.538   0.381
  349   3HD2  LEU  49          HD23      LEU  49 140.325  -6.064  -0.575
  350    H    ASP  50           HN       ASP  50 138.567  -5.653  -5.433
  351    HA   ASP  50           HA       ASP  50 139.492  -7.158  -7.510
  352   1HB   ASP  50          HB2       ASP  50 137.373  -5.678  -7.253
  353   2HB   ASP  50          HB1       ASP  50 138.384  -4.436  -7.992
  354    H    ASN  51           HN       ASN  51 141.177  -4.579  -6.071
  355    HA   ASN  51           HA       ASN  51 142.897  -4.416  -8.442
  356   1HB   ASN  51          HB2       ASN  51 143.213  -1.964  -7.985
  357   2HB   ASN  51          HB1       ASN  51 141.595  -2.390  -8.505
  358   1HD2  ASN  51          HD21      ASN  51 143.132  -0.412  -6.537
  359   2HD2  ASN  51          HD22      ASN  51 141.980  -0.275  -5.256
  360    H    ASN  52           HN       ASN  52 144.007  -2.195  -6.305
  361    HA   ASN  52           HA       ASN  52 146.149  -3.879  -5.367
  362   1HB   ASN  52          HB2       ASN  52 146.928  -1.723  -4.330
  363   2HB   ASN  52          HB1       ASN  52 146.645  -1.604  -6.061
  364   1HD2  ASN  52          HD21      ASN  52 145.095  -1.044  -2.948
  365   2HD2  ASN  52          HD22      ASN  52 144.110   0.267  -3.478
  366    H    GLY  53           HN       GLY  53 143.326  -2.264  -4.185
  367   1HA   GLY  53          HA2       GLY  53 142.946  -3.926  -1.939
  368   2HA   GLY  53          HA1       GLY  53 143.702  -2.428  -1.433
  369    H    GLY  54           HN       GLY  54 141.570  -2.391  -4.187
  370   1HA   GLY  54          HA2       GLY  54 139.406  -1.698  -4.463
  371   2HA   GLY  54          HA1       GLY  54 139.233  -1.628  -2.719
  372    H    CYS  55           HN       CYS  55 141.412  -0.067  -2.170
  373    HA   CYS  55           HA       CYS  55 140.890   2.470  -3.494
  374   1HB   CYS  55          HB2       CYS  55 140.792   1.865  -0.543
  375   2HB   CYS  55          HB1       CYS  55 140.985   3.486  -1.173
  376    H    SER  56           HN       SER  56 142.905   0.685  -1.158
  377    HA   SER  56           HA       SER  56 145.251   1.411  -2.504
  378   1HB   SER  56          HB2       SER  56 144.704   2.817   0.105
  379   2HB   SER  56          HB1       SER  56 146.308   2.691  -0.616
  380    HG   SER  56           HG       SER  56 145.789   4.170  -2.020
  381    H    HIS  57           HN       HIS  57 144.155   0.592   0.789
  382    HA   HIS  57           HA       HIS  57 146.135  -1.589   0.773
  383   1HB   HIS  57          HB2       HIS  57 144.966  -0.023   3.077
  384   2HB   HIS  57          HB1       HIS  57 145.965  -1.461   3.278
  385    HD1  HIS  57           HD1      HIS  57 147.419   0.550   4.581
  386    HD2  HIS  57           HD2      HIS  57 147.390   0.480   0.431
  387    HE1  HIS  57           HE1      HIS  57 149.407   1.923   3.874
  388    HE2  HIS  57           HE2      HIS  57 149.433   1.774   1.358
  389    H    VAL  58           HN       VAL  58 143.092  -0.884   2.497
  390    HA   VAL  58           HA       VAL  58 142.046  -3.439   1.561
  391    HB   VAL  58           HB       VAL  58 141.092  -3.490   4.109
  392   1HG1  VAL  58          HG11      VAL  58 143.714  -4.803   3.592
  393   2HG1  VAL  58          HG12      VAL  58 142.337  -5.203   2.565
  394   3HG1  VAL  58          HG13      VAL  58 142.242  -5.461   4.308
  395   1HG2  VAL  58          HG21      VAL  58 143.013  -3.173   5.626
  396   2HG2  VAL  58          HG22      VAL  58 142.486  -1.665   4.878
  397   3HG2  VAL  58          HG23      VAL  58 143.932  -2.484   4.288
  398    H    CYS  59           HN       CYS  59 140.311  -2.851   0.522
  399    HA   CYS  59           HA       CYS  59 138.596  -0.750   1.648
  400   1HB   CYS  59          HB2       CYS  59 139.234   0.013  -0.428
  401   2HB   CYS  59          HB1       CYS  59 139.285  -1.580  -1.142
  402    H    ASN  60           HN       ASN  60 136.541  -1.151   2.170
  403    HA   ASN  60           HA       ASN  60 135.617  -3.922   2.000
  404   1HB   ASN  60          HB2       ASN  60 135.492  -1.937   4.001
  405   2HB   ASN  60          HB1       ASN  60 133.836  -2.190   3.462
  406   1HD2  ASN  60          HD21      ASN  60 134.113  -2.843   5.909
  407   2HD2  ASN  60          HD22      ASN  60 134.277  -4.543   6.160
  408    H    ASP  61           HN       ASP  61 134.364  -4.440   0.318
  409    HA   ASP  61           HA       ASP  61 132.778  -2.365  -0.972
  410   1HB   ASP  61          HB2       ASP  61 132.602  -3.786  -2.842
  411   2HB   ASP  61          HB1       ASP  61 134.238  -4.037  -2.248
  412    H    LEU  62           HN       LEU  62 130.852  -1.984  -0.177
  413    HA   LEU  62           HA       LEU  62 129.331  -4.136   1.081
  414   1HB   LEU  62          HB2       LEU  62 128.945  -1.157   0.975
  415   2HB   LEU  62          HB1       LEU  62 127.695  -2.222   1.570
  416    HG   LEU  62           HG       LEU  62 130.428  -1.761   2.751
  417   1HD1  LEU  62          HD11      LEU  62 128.833  -1.363   4.773
  418   2HD1  LEU  62          HD12      LEU  62 127.621  -1.104   3.519
  419   3HD1  LEU  62          HD13      LEU  62 129.068  -0.097   3.569
  420   1HD2  LEU  62          HD21      LEU  62 130.079  -4.106   2.931
  421   2HD2  LEU  62          HD22      LEU  62 128.393  -3.884   3.399
  422   3HD2  LEU  62          HD23      LEU  62 129.685  -3.401   4.499
  423    H    LYS  63           HN       LYS  63 126.768  -3.664   0.631
  424    HA   LYS  63           HA       LYS  63 126.450  -4.504  -2.096
  425   1HB   LYS  63          HB2       LYS  63 124.486  -4.078   0.153
  426   2HB   LYS  63          HB1       LYS  63 124.012  -4.629  -1.448
  427   1HG   LYS  63          HG2       LYS  63 124.753  -6.713  -1.091
  428   2HG   LYS  63          HG1       LYS  63 126.190  -6.164  -0.226
  429   1HD   LYS  63          HD2       LYS  63 123.645  -5.730   1.182
  430   2HD   LYS  63          HD1       LYS  63 124.084  -7.421   0.936
  431   1HE   LYS  63          HE2       LYS  63 125.991  -5.394   2.075
  432   2HE   LYS  63          HE1       LYS  63 124.894  -6.337   3.082
  433   1HZ   LYS  63          HZ1       LYS  63 127.316  -7.155   2.570
  434   2HZ   LYS  63          HZ2       LYS  63 126.589  -7.770   1.172
  435   3HZ   LYS  63          HZ3       LYS  63 126.034  -8.252   2.696
  436    H    ILE  64           HN       ILE  64 125.672  -1.622  -0.218
  437    HA   ILE  64           HA       ILE  64 124.622  -0.372  -2.661
  438    HB   ILE  64           HB       ILE  64 123.110  -0.465  -0.685
  439   1HG1  ILE  64          HG12      ILE  64 123.659   2.428  -1.092
  440   2HG1  ILE  64          HG11      ILE  64 123.342   1.460  -2.528
  441   1HG2  ILE  64          HG21      ILE  64 124.821  -0.181   1.049
  442   2HG2  ILE  64          HG22      ILE  64 123.515   0.993   1.212
  443   3HG2  ILE  64          HG23      ILE  64 125.064   1.486   0.527
  444   1HD1  ILE  64          HD11      ILE  64 121.408   2.659  -1.225
  445   2HD1  ILE  64          HD12      ILE  64 121.491   1.209  -0.224
  446   3HD1  ILE  64          HD13      ILE  64 121.174   1.069  -1.953
  447    H    GLY  65           HN       GLY  65 127.513  -0.623  -1.996
  448   1HA   GLY  65          HA2       GLY  65 128.690   1.479  -3.000
  449   2HA   GLY  65          HA1       GLY  65 128.222   2.171  -1.455
  450    H    TYR  66           HN       TYR  66 130.873   1.509  -2.746
  451    HA   TYR  66           HA       TYR  66 131.941  -0.364  -0.766
  452   1HB   TYR  66          HB2       TYR  66 134.100   0.089  -2.240
  453   2HB   TYR  66          HB1       TYR  66 132.864  -1.055  -2.745
  454    HD1  TYR  66           HD1      TYR  66 132.664  -1.017  -5.037
  455    HD2  TYR  66           HD2      TYR  66 133.125   2.677  -2.981
  456    HE1  TYR  66           HE1      TYR  66 132.404   0.193  -7.162
  457    HE2  TYR  66           HE2      TYR  66 132.866   3.896  -5.097
  458    HH   TYR  66           HH       TYR  66 133.127   3.501  -7.493
  459    H    GLU  67           HN       GLU  67 133.627   0.152   0.624
  460    HA   GLU  67           HA       GLU  67 134.326   3.003   0.816
  461   1HB   GLU  67          HB2       GLU  67 134.424   1.955   3.430
  462   2HB   GLU  67          HB1       GLU  67 133.332   3.175   2.800
  463   1HG   GLU  67          HG2       GLU  67 132.810   0.217   2.638
  464   2HG   GLU  67          HG1       GLU  67 132.240   1.244   3.953
  465    H    CYS  68           HN       CYS  68 136.324   3.415   1.999
  466    HA   CYS  68           HA       CYS  68 138.251   1.266   1.494
  467   1HB   CYS  68          HB2       CYS  68 139.005   4.088   2.191
  468   2HB   CYS  68          HB1       CYS  68 139.908   2.901   1.257
  469    H    LEU  69           HN       LEU  69 139.616   0.484   3.047
  470    HA   LEU  69           HA       LEU  69 139.130   1.405   5.804
  471   1HB   LEU  69          HB2       LEU  69 139.911  -1.420   5.223
  472   2HB   LEU  69          HB1       LEU  69 139.054  -0.768   6.602
  473    HG   LEU  69           HG       LEU  69 137.923  -1.199   3.838
  474   1HD1  LEU  69          HD11      LEU  69 136.393  -2.568   5.666
  475   2HD1  LEU  69          HD12      LEU  69 138.035  -2.804   6.265
  476   3HD1  LEU  69          HD13      LEU  69 137.623  -3.268   4.613
  477   1HD2  LEU  69          HD21      LEU  69 136.172  -0.495   6.110
  478   2HD2  LEU  69          HD22      LEU  69 136.044  -0.073   4.403
  479   3HD2  LEU  69          HD23      LEU  69 137.159   0.807   5.448
  480    H    CYS  70           HN       CYS  70 140.908   0.965   7.310
  481    HA   CYS  70           HA       CYS  70 143.525   0.478   6.167
  482   1HB   CYS  70          HB2       CYS  70 142.875   2.995   5.958
  483   2HB   CYS  70          HB1       CYS  70 143.177   3.042   7.691
  484    HA   PRO  71           HA       PRO  71 144.192  -1.672   9.982
  485   1HB   PRO  71          HB2       PRO  71 146.833  -0.625  10.316
  486   2HB   PRO  71          HB1       PRO  71 146.365  -2.209   9.699
  487   1HG   PRO  71          HG2       PRO  71 147.107   0.245   8.223
  488   2HG   PRO  71          HG1       PRO  71 147.254  -1.451   7.735
  489   1HD   PRO  71          HD2       PRO  71 145.401   0.163   6.661
  490   2HD   PRO  71          HD1       PRO  71 145.060  -1.551   6.982
  491    H    ASP  72           HN       ASP  72 144.541  -1.271  12.233
  492    HA   ASP  72           HA       ASP  72 143.372   1.043  13.212
  493   1HB   ASP  72          HB2       ASP  72 144.946  -1.179  14.414
  494   2HB   ASP  72          HB1       ASP  72 144.695   0.263  15.393
  495    H    GLY  73           HN       GLY  73 144.151   2.855  14.290
  496   1HA   GLY  73          HA2       GLY  73 145.580   4.599  14.737
  497   2HA   GLY  73          HA1       GLY  73 146.897   3.442  14.649
  498    H    PHE  74           HN       PHE  74 144.844   3.726  11.883
  499    HA   PHE  74           HA       PHE  74 146.786   5.508  10.584
  500   1HB   PHE  74          HB2       PHE  74 145.809   2.843   9.567
  501   2HB   PHE  74          HB1       PHE  74 146.515   4.055   8.509
  502    HD1  PHE  74           HD1      PHE  74 147.158   1.407  10.830
  503    HD2  PHE  74           HD2      PHE  74 148.873   4.820   8.955
  504    HE1  PHE  74           HE1      PHE  74 149.407   0.573  11.379
  505    HE2  PHE  74           HE2      PHE  74 151.125   3.993   9.500
  506    HZ   PHE  74           HZ       PHE  74 151.394   1.867  10.714
  507    H    GLN  75           HN       GLN  75 145.990   6.793   8.929
  508    HA   GLN  75           HA       GLN  75 143.053   6.918   8.772
  509   1HB   GLN  75          HB2       GLN  75 145.183   9.012   8.776
  510   2HB   GLN  75          HB1       GLN  75 143.703   9.326   7.879
  511   1HG   GLN  75          HG2       GLN  75 142.384   9.027   9.878
  512   2HG   GLN  75          HG1       GLN  75 143.825   8.589  10.794
  513   1HE2  GLN  75          HE21      GLN  75 142.147  11.182   9.160
  514   2HE2  GLN  75          HE22      GLN  75 142.979  12.478   9.945
  515    H    LEU  76           HN       LEU  76 142.186   7.718   6.671
  516    HA   LEU  76           HA       LEU  76 143.771   6.596   4.463
  517   1HB   LEU  76          HB2       LEU  76 141.688   5.415   4.868
  518   2HB   LEU  76          HB1       LEU  76 140.787   6.916   4.754
  519    HG   LEU  76           HG       LEU  76 142.051   6.860   2.331
  520   1HD1  LEU  76          HD11      LEU  76 141.596   4.047   3.246
  521   2HD1  LEU  76          HD12      LEU  76 142.981   4.734   2.400
  522   3HD1  LEU  76          HD13      LEU  76 141.462   4.479   1.542
  523   1HD2  LEU  76          HD21      LEU  76 139.773   7.420   2.490
  524   2HD2  LEU  76          HD22      LEU  76 139.354   5.863   3.201
  525   3HD2  LEU  76          HD23      LEU  76 139.821   5.960   1.503
  526    H    VAL  77           HN       VAL  77 144.756   8.156   3.286
  527    HA   VAL  77           HA       VAL  77 143.480  10.748   3.034
  528    HB   VAL  77           HB       VAL  77 145.843  10.684   3.722
  529   1HG1  VAL  77          HG11      VAL  77 147.579  10.018   2.191
  530   2HG1  VAL  77          HG12      VAL  77 146.387   9.635   0.949
  531   3HG1  VAL  77          HG13      VAL  77 146.465   8.671   2.424
  532   1HG2  VAL  77          HG21      VAL  77 144.668  12.439   2.073
  533   2HG2  VAL  77          HG22      VAL  77 145.997  11.913   1.039
  534   3HG2  VAL  77          HG23      VAL  77 146.334  12.603   2.626
  535    H    ALA  78           HN       ALA  78 142.920  11.692   1.135
  536    HA   ALA  78           HA       ALA  78 142.433  11.929  -1.088
  537   1HB   ALA  78          HB1       ALA  78 143.647   9.384  -1.958
  538   2HB   ALA  78          HB2       ALA  78 144.739  10.564  -1.233
  539   3HB   ALA  78          HB3       ALA  78 143.779  11.003  -2.645
  540    H    GLN  79           HN       GLN  79 141.023  10.098   0.937
  541    HA   GLN  79           HA       GLN  79 139.080   8.926   0.999
  542   1HB   GLN  79          HB2       GLN  79 138.822   9.475  -1.956
  543   2HB   GLN  79          HB1       GLN  79 137.533   9.117  -0.814
  544   1HG   GLN  79          HG2       GLN  79 138.555  11.317   0.333
  545   2HG   GLN  79          HG1       GLN  79 138.941  11.646  -1.356
  546   1HE2  GLN  79          HE21      GLN  79 137.106  13.070   0.322
  547   2HE2  GLN  79          HE22      GLN  79 135.545  12.938  -0.407
  548    H    ARG  80           HN       ARG  80 141.759   7.768  -0.149
  549    HA   ARG  80           HA       ARG  80 140.725   5.113  -0.420
  550   1HB   ARG  80          HB2       ARG  80 141.913   6.485  -2.816
  551   2HB   ARG  80          HB1       ARG  80 141.967   4.743  -2.637
  552   1HG   ARG  80          HG2       ARG  80 139.347   5.181  -2.203
  553   2HG   ARG  80          HG1       ARG  80 139.714   6.508  -3.305
  554   1HD   ARG  80          HD2       ARG  80 140.979   4.168  -4.305
  555   2HD   ARG  80          HD1       ARG  80 139.316   3.748  -3.899
  556    HE   ARG  80           HE       ARG  80 138.617   5.000  -5.674
  557   1HH1  ARG  80          HH11      ARG  80 141.874   5.955  -4.865
  558   2HH1  ARG  80          HH12      ARG  80 142.043   6.997  -6.239
  559   1HH2  ARG  80          HH21      ARG  80 138.837   6.370  -7.481
  560   2HH2  ARG  80          HH22      ARG  80 140.319   7.233  -7.723
  561    H    ARG  81           HN       ARG  81 143.473   7.303  -0.438
  562    HA   ARG  81           HA       ARG  81 145.377   5.168  -0.116
  563   1HB   ARG  81          HB2       ARG  81 145.497   7.900  -0.845
  564   2HB   ARG  81          HB1       ARG  81 146.507   7.688   0.577
  565   1HG   ARG  81          HG2       ARG  81 146.728   5.928  -1.844
  566   2HG   ARG  81          HG1       ARG  81 147.643   7.426  -1.657
  567   1HD   ARG  81          HD2       ARG  81 148.224   6.308   0.687
  568   2HD   ARG  81          HD1       ARG  81 147.907   4.836  -0.230
  569    HE   ARG  81           HE       ARG  81 149.852   5.176  -1.392
  570   1HH1  ARG  81          HH11      ARG  81 149.020   8.106   0.311
  571   2HH1  ARG  81          HH12      ARG  81 150.523   8.888  -0.046
  572   1HH2  ARG  81          HH21      ARG  81 151.829   6.203  -1.863
  573   2HH2  ARG  81          HH22      ARG  81 152.118   7.809  -1.280
  574    H    CYS  82           HN       CYS  82 146.849   5.015   1.689
  575    HA   CYS  82           HA       CYS  82 145.430   5.495   4.209
  576   1HB   CYS  82          HB2       CYS  82 147.301   3.401   3.256
  577   2HB   CYS  82          HB1       CYS  82 147.384   3.832   4.960
  578    H    GLU  83           HN       GLU  83 146.024   7.455   4.958
  579    HA   GLU  83           HA       GLU  83 148.653   7.797   5.992
  580   1HB   GLU  83          HB2       GLU  83 148.528   8.489   3.372
  581   2HB   GLU  83          HB1       GLU  83 148.080  10.014   4.123
  582   1HG   GLU  83          HG2       GLU  83 150.602   8.439   4.582
  583   2HG   GLU  83          HG1       GLU  83 150.444   9.981   3.740
  Start of MODEL    4
    1   1H    GLY   1           HT1      GLY   1 115.756   3.395  25.832
    2   2H    GLY   1           HT2      GLY   1 114.531   2.696  26.764
    3   3H    GLY   1           HT3      GLY   1 114.430   4.325  26.321
    4   1HA   GLY   1          HA1       GLY   1 114.639   2.356  24.173
    5   2HA   GLY   1          HA2       GLY   1 113.112   2.452  25.038
    6    H    ASN   2           HN       ASN   2 114.460   3.401  22.309
    7    HA   ASN   2           HA       ASN   2 112.947   5.924  22.250
    8   1HB   ASN   2          HB2       ASN   2 115.640   5.916  22.180
    9   2HB   ASN   2          HB1       ASN   2 115.305   5.703  20.465
   10   1HD2  ASN   2          HD21      ASN   2 116.562   7.949  21.583
   11   2HD2  ASN   2          HD22      ASN   2 115.543   9.320  21.329
   12    H    VAL   3           HN       VAL   3 111.743   6.309  20.433
   13    HA   VAL   3           HA       VAL   3 111.503   4.049  18.574
   14    HB   VAL   3           HB       VAL   3 109.313   5.039  17.962
   15   1HG1  VAL   3          HG11      VAL   3 109.171   4.826  20.909
   16   2HG1  VAL   3          HG12      VAL   3 109.885   3.465  20.045
   17   3HG1  VAL   3          HG13      VAL   3 108.245   3.989  19.663
   18   1HG2  VAL   3          HG21      VAL   3 109.860   7.374  18.512
   19   2HG2  VAL   3          HG22      VAL   3 109.861   6.956  20.225
   20   3HG2  VAL   3          HG23      VAL   3 108.371   6.839  19.289
   21    H    THR   4           HN       THR   4 111.861   4.257  16.433
   22    HA   THR   4           HA       THR   4 112.479   6.949  15.405
   23    HB   THR   4           HB       THR   4 113.871   4.359  14.694
   24    HG1  THR   4           HG1      THR   4 114.760   4.944  16.559
   25   1HG2  THR   4          HG21      THR   4 113.669   6.182  12.892
   26   2HG2  THR   4          HG22      THR   4 115.260   5.507  13.247
   27   3HG2  THR   4          HG23      THR   4 114.805   7.082  13.898
   28    H    LEU   5           HN       LEU   5 111.707   7.477  13.406
   29    HA   LEU   5           HA       LEU   5 109.931   5.495  12.144
   30   1HB   LEU   5          HB2       LEU   5 109.190   7.876  13.124
   31   2HB   LEU   5          HB1       LEU   5 109.660   8.381  11.513
   32    HG   LEU   5           HG       LEU   5 107.761   6.091  11.881
   33   1HD1  LEU   5          HD11      LEU   5 106.743   8.867  11.509
   34   2HD1  LEU   5          HD12      LEU   5 107.103   8.285  13.134
   35   3HD1  LEU   5          HD13      LEU   5 105.920   7.440  12.137
   36   1HD2  LEU   5          HD21      LEU   5 108.652   6.416   9.667
   37   2HD2  LEU   5          HD22      LEU   5 108.225   8.126   9.706
   38   3HD2  LEU   5          HD23      LEU   5 106.956   6.900   9.686
   39    H    CYS   6           HN       CYS   6 112.481   7.831  11.602
   40    HA   CYS   6           HA       CYS   6 113.012   6.606   9.012
   41   1HB   CYS   6          HB2       CYS   6 112.336   9.504   9.426
   42   2HB   CYS   6          HB1       CYS   6 113.395   9.012   8.109
   43    H    GLU   7           HN       GLU   7 114.121   9.504  10.767
   44    HA   GLU   7           HA       GLU   7 116.876   8.779  10.286
   45   1HB   GLU   7          HB2       GLU   7 115.819  11.160  10.308
   46   2HB   GLU   7          HB1       GLU   7 116.008  11.045  12.052
   47   1HG   GLU   7          HG2       GLU   7 118.469  10.360  11.373
   48   2HG   GLU   7          HG1       GLU   7 118.061  11.282   9.928
   49    H    GLY   8           HN       GLY   8 117.796   7.283  11.518
   50   1HA   GLY   8          HA2       GLY   8 118.130   7.611  14.298
   51   2HA   GLY   8          HA1       GLY   8 116.885   6.406  14.008
   52    HA   PRO   9           HA       PRO   9 120.791   4.044  13.939
   53   1HB   PRO   9          HB2       PRO   9 119.882   1.866  15.211
   54   2HB   PRO   9          HB1       PRO   9 120.319   3.339  16.084
   55   1HG   PRO   9          HG2       PRO   9 117.615   2.328  15.306
   56   2HG   PRO   9          HG1       PRO   9 118.137   3.088  16.819
   57   1HD   PRO   9          HD2       PRO   9 116.816   4.409  14.801
   58   2HD   PRO   9          HD1       PRO   9 117.869   5.200  15.989
   59    H    ASN  10           HN       ASN  10 121.436   2.727  12.358
   60    HA   ASN  10           HA       ASN  10 121.333   1.599  10.373
   61   1HB   ASN  10          HB2       ASN  10 120.257  -0.631  10.591
   62   2HB   ASN  10          HB1       ASN  10 121.307  -0.232  11.947
   63   1HD2  ASN  10          HD21      ASN  10 118.050  -0.746  10.893
   64   2HD2  ASN  10          HD22      ASN  10 117.332  -0.806  12.464
   65    H    LYS  11           HN       LYS  11 119.656   3.742  10.131
   66    HA   LYS  11           HA       LYS  11 117.140   2.721   9.053
   67   1HB   LYS  11          HB2       LYS  11 116.319   4.908   9.110
   68   2HB   LYS  11          HB1       LYS  11 117.342   4.822  10.535
   69   1HG   LYS  11          HG2       LYS  11 117.952   6.850   9.664
   70   2HG   LYS  11          HG1       LYS  11 119.161   5.795   8.936
   71   1HD   LYS  11          HD2       LYS  11 118.285   6.007   6.848
   72   2HD   LYS  11          HD1       LYS  11 116.631   6.165   7.443
   73   1HE   LYS  11          HE2       LYS  11 117.027   8.296   6.680
   74   2HE   LYS  11          HE1       LYS  11 117.503   8.451   8.370
   75   1HZ   LYS  11          HZ1       LYS  11 119.818   8.041   7.655
   76   2HZ   LYS  11          HZ2       LYS  11 119.163   9.458   7.005
   77   3HZ   LYS  11          HZ3       LYS  11 119.305   8.074   6.043
   78    H    PHE  12           HN       PHE  12 116.427   3.343   6.911
   79    HA   PHE  12           HA       PHE  12 118.547   4.077   5.035
   80   1HB   PHE  12          HB2       PHE  12 118.377   1.556   5.195
   81   2HB   PHE  12          HB1       PHE  12 116.753   1.700   4.532
   82    HD1  PHE  12           HD1      PHE  12 116.433   2.573   2.237
   83    HD2  PHE  12           HD2      PHE  12 120.291   1.718   3.816
   84    HE1  PHE  12           HE1      PHE  12 117.359   2.564  -0.042
   85    HE2  PHE  12           HE2      PHE  12 121.224   1.707   1.539
   86    HZ   PHE  12           HZ       PHE  12 119.757   2.130  -0.394
   87    H    LYS  13           HN       LYS  13 117.853   5.207   3.261
   88    HA   LYS  13           HA       LYS  13 114.964   5.778   3.146
   89   1HB   LYS  13          HB2       LYS  13 115.747   7.965   2.054
   90   2HB   LYS  13          HB1       LYS  13 115.967   7.796   3.790
   91   1HG   LYS  13          HG2       LYS  13 118.309   7.242   3.460
   92   2HG   LYS  13          HG1       LYS  13 118.100   7.343   1.711
   93   1HD   LYS  13          HD2       LYS  13 117.362   9.680   3.420
   94   2HD   LYS  13          HD1       LYS  13 119.060   9.377   3.048
   95   1HE   LYS  13          HE2       LYS  13 116.957   9.486   0.907
   96   2HE   LYS  13          HE1       LYS  13 117.764  10.940   1.493
   97   1HZ   LYS  13          HZ1       LYS  13 119.485   8.718   0.732
   98   2HZ   LYS  13          HZ2       LYS  13 119.694  10.380   0.497
   99   3HZ   LYS  13          HZ3       LYS  13 118.676   9.504  -0.529
  100    H    CYS  14           HN       CYS  14 113.931   5.729   1.193
  101    HA   CYS  14           HA       CYS  14 115.330   4.362  -0.950
  102   1HB   CYS  14          HB2       CYS  14 112.743   4.245   0.011
  103   2HB   CYS  14          HB1       CYS  14 112.566   5.153  -1.486
  104    H    HIS  15           HN       HIS  15 114.190   5.200  -3.227
  105    HA   HIS  15           HA       HIS  15 115.532   7.689  -3.707
  106   1HB   HIS  15          HB2       HIS  15 115.288   5.652  -5.294
  107   2HB   HIS  15          HB1       HIS  15 113.715   6.338  -5.684
  108    HD1  HIS  15           HD1      HIS  15 115.959   9.064  -5.072
  109    HD2  HIS  15           HD2      HIS  15 115.208   6.526  -8.275
  110    HE1  HIS  15           HE1      HIS  15 116.913  10.226  -7.088
  111    HE2  HIS  15           HE2      HIS  15 116.371   8.712  -9.026
  112    H    SER  16           HN       SER  16 112.188   6.627  -3.438
  113    HA   SER  16           HA       SER  16 111.068   9.118  -4.290
  114   1HB   SER  16          HB2       SER  16 108.935   8.143  -3.366
  115   2HB   SER  16          HB1       SER  16 109.737   7.144  -4.578
  116    HG   SER  16           HG       SER  16 108.966   6.252  -2.369
  117    H    GLY  17           HN       GLY  17 112.657   8.237  -1.487
  118   1HA   GLY  17          HA2       GLY  17 113.079   9.795   0.251
  119   2HA   GLY  17          HA1       GLY  17 111.533  10.556  -0.091
  120    H    GLU  18           HN       GLU  18 111.781   7.098   0.166
  121    HA   GLU  18           HA       GLU  18 109.990   7.150   2.449
  122   1HB   GLU  18          HB2       GLU  18 111.092   4.728   1.022
  123   2HB   GLU  18          HB1       GLU  18 109.672   4.806   2.056
  124   1HG   GLU  18          HG2       GLU  18 109.730   6.513  -0.371
  125   2HG   GLU  18          HG1       GLU  18 109.484   4.778  -0.571
  126    H    CYS  19           HN       CYS  19 110.527   5.046   3.949
  127    HA   CYS  19           HA       CYS  19 113.346   5.153   4.725
  128   1HB   CYS  19          HB2       CYS  19 111.145   5.481   6.764
  129   2HB   CYS  19          HB1       CYS  19 112.879   5.649   7.013
  130    H    ILE  20           HN       ILE  20 114.078   3.136   4.909
  131    HA   ILE  20           HA       ILE  20 112.383   1.092   6.121
  132    HB   ILE  20           HB       ILE  20 113.432  -0.493   4.313
  133   1HG1  ILE  20          HG12      ILE  20 113.405   2.182   2.897
  134   2HG1  ILE  20          HG11      ILE  20 114.815   1.173   3.203
  135   1HG2  ILE  20          HG21      ILE  20 111.064   1.309   3.879
  136   2HG2  ILE  20          HG22      ILE  20 111.082  -0.311   4.574
  137   3HG2  ILE  20          HG23      ILE  20 111.423  -0.085   2.859
  138   1HD1  ILE  20          HD11      ILE  20 113.481  -0.591   1.817
  139   2HD1  ILE  20          HD12      ILE  20 114.380   0.693   1.010
  140   3HD1  ILE  20          HD13      ILE  20 112.632   0.831   1.212
  141    H    THR  21           HN       THR  21 113.846  -1.005   6.340
  142    HA   THR  21           HA       THR  21 116.099  -0.194   7.903
  143    HB   THR  21           HB       THR  21 115.160  -2.951   7.101
  144    HG1  THR  21           HG1      THR  21 113.729  -1.572   8.406
  145   1HG2  THR  21          HG21      THR  21 116.353  -3.254   9.509
  146   2HG2  THR  21          HG22      THR  21 117.404  -2.055   8.753
  147   3HG2  THR  21          HG23      THR  21 117.118  -3.604   7.959
  148    H    LEU  22           HN       LEU  22 118.261  -0.507   7.503
  149    HA   LEU  22           HA       LEU  22 119.075  -0.449   4.777
  150   1HB   LEU  22          HB2       LEU  22 121.319  -0.264   5.633
  151   2HB   LEU  22          HB1       LEU  22 120.250   0.754   6.582
  152    HG   LEU  22           HG       LEU  22 120.157  -1.286   8.199
  153   1HD1  LEU  22          HD11      LEU  22 122.732  -2.151   7.992
  154   2HD1  LEU  22          HD12      LEU  22 122.260  -2.041   6.296
  155   3HD1  LEU  22          HD13      LEU  22 121.322  -3.036   7.410
  156   1HD2  LEU  22          HD21      LEU  22 122.737   0.254   8.059
  157   2HD2  LEU  22          HD22      LEU  22 121.877  -0.317   9.489
  158   3HD2  LEU  22          HD23      LEU  22 121.209   1.001   8.526
  159    H    ASP  23           HN       ASP  23 118.836  -2.957   7.190
  160    HA   ASP  23           HA       ASP  23 120.603  -4.847   6.368
  161   1HB   ASP  23          HB2       ASP  23 117.730  -5.357   7.117
  162   2HB   ASP  23          HB1       ASP  23 119.016  -6.555   7.130
  163    H    LYS  24           HN       LYS  24 117.194  -4.838   5.212
  164    HA   LYS  24           HA       LYS  24 117.662  -6.712   3.240
  165   1HB   LYS  24          HB2       LYS  24 115.469  -5.918   2.342
  166   2HB   LYS  24          HB1       LYS  24 115.449  -6.330   4.046
  167   1HG   LYS  24          HG2       LYS  24 114.258  -4.370   4.022
  168   2HG   LYS  24          HG1       LYS  24 115.883  -3.783   4.378
  169   1HD   LYS  24          HD2       LYS  24 115.264  -3.999   1.520
  170   2HD   LYS  24          HD1       LYS  24 114.280  -2.824   2.396
  171   1HE   LYS  24          HE2       LYS  24 117.076  -2.656   3.138
  172   2HE   LYS  24          HE1       LYS  24 116.849  -2.445   1.402
  173   1HZ   LYS  24          HZ1       LYS  24 115.833  -0.485   1.691
  174   2HZ   LYS  24          HZ2       LYS  24 116.597  -0.485   3.200
  175   3HZ   LYS  24          HZ3       LYS  24 114.987  -0.985   3.068
  176    H    VAL  25           HN       VAL  25 119.344  -4.085   3.207
  177    HA   VAL  25           HA       VAL  25 118.789  -2.666   0.875
  178    HB   VAL  25           HB       VAL  25 121.164  -3.025   2.608
  179   1HG1  VAL  25          HG11      VAL  25 122.402  -3.296   0.672
  180   2HG1  VAL  25          HG12      VAL  25 122.479  -1.559   0.967
  181   3HG1  VAL  25          HG13      VAL  25 121.379  -2.198  -0.255
  182   1HG2  VAL  25          HG21      VAL  25 119.448  -1.255   2.910
  183   2HG2  VAL  25          HG22      VAL  25 119.947  -0.566   1.365
  184   3HG2  VAL  25          HG23      VAL  25 121.084  -0.629   2.711
  185    H    CYS  26           HN       CYS  26 119.145  -3.015  -1.226
  186    HA   CYS  26           HA       CYS  26 119.615  -4.088  -3.169
  187   1HB   CYS  26          HB2       CYS  26 121.947  -3.686  -2.419
  188   2HB   CYS  26          HB1       CYS  26 121.938  -5.259  -1.627
  189    H    ASN  27           HN       ASN  27 117.657  -5.307  -1.630
  190    HA   ASN  27           HA       ASN  27 118.106  -8.076  -1.242
  191   1HB   ASN  27          HB2       ASN  27 115.604  -8.191  -1.129
  192   2HB   ASN  27          HB1       ASN  27 116.318  -6.998  -0.046
  193   1HD2  ASN  27          HD21      ASN  27 113.809  -6.582  -0.404
  194   2HD2  ASN  27          HD22      ASN  27 113.478  -5.318  -1.535
  195    H    MET  28           HN       MET  28 116.262  -9.535  -2.445
  196    HA   MET  28           HA       MET  28 117.106  -9.507  -5.228
  197   1HB   MET  28          HB2       MET  28 117.064 -11.591  -3.745
  198   2HB   MET  28          HB1       MET  28 115.314 -11.541  -3.910
  199   1HG   MET  28          HG2       MET  28 115.354 -12.246  -6.052
  200   2HG   MET  28          HG1       MET  28 116.868 -11.418  -6.412
  201   1HE   MET  28          HE1       MET  28 119.215 -12.613  -4.632
  202   2HE   MET  28          HE2       MET  28 119.034 -12.265  -6.352
  203   3HE   MET  28          HE3       MET  28 119.589 -13.854  -5.827
  204    H    ALA  29           HN       ALA  29 114.308  -8.872  -3.278
  205    HA   ALA  29           HA       ALA  29 112.603  -8.637  -5.654
  206   1HB   ALA  29          HB1       ALA  29 110.739  -8.466  -4.050
  207   2HB   ALA  29          HB2       ALA  29 111.892  -8.613  -2.723
  208   3HB   ALA  29          HB3       ALA  29 111.668  -9.951  -3.849
  209    H    ARG  30           HN       ARG  30 111.006  -6.749  -5.538
  210    HA   ARG  30           HA       ARG  30 112.481  -4.339  -5.609
  211   1HB   ARG  30          HB2       ARG  30 110.067  -5.189  -6.621
  212   2HB   ARG  30          HB1       ARG  30 109.577  -4.021  -5.401
  213   1HG   ARG  30          HG2       ARG  30 110.024  -2.381  -6.814
  214   2HG   ARG  30          HG1       ARG  30 111.717  -2.870  -6.825
  215   1HD   ARG  30          HD2       ARG  30 111.423  -4.235  -8.714
  216   2HD   ARG  30          HD1       ARG  30 109.668  -4.212  -8.554
  217    HE   ARG  30           HE       ARG  30 110.372  -1.599  -8.961
  218   1HH1  ARG  30          HH11      ARG  30 110.836  -4.592 -10.695
  219   2HH1  ARG  30          HH12      ARG  30 110.852  -3.833 -12.251
  220   1HH2  ARG  30          HH21      ARG  30 110.393  -0.600 -11.007
  221   2HH2  ARG  30          HH22      ARG  30 110.601  -1.567 -12.429
  222    H    ASP  31           HN       ASP  31 112.582  -2.618  -4.231
  223    HA   ASP  31           HA       ASP  31 111.655  -3.123  -1.496
  224   1HB   ASP  31          HB2       ASP  31 114.105  -2.239  -2.520
  225   2HB   ASP  31          HB1       ASP  31 113.380  -0.811  -1.789
  226    H    CYS  32           HN       CYS  32 111.435  -0.830  -4.134
  227    HA   CYS  32           HA       CYS  32 109.214   0.481  -2.754
  228   1HB   CYS  32          HB2       CYS  32 111.570   1.939  -3.968
  229   2HB   CYS  32          HB1       CYS  32 110.069   2.717  -3.478
  230    H    ARG  33           HN       ARG  33 108.238   2.188  -4.398
  231    HA   ARG  33           HA       ARG  33 107.173   0.757  -6.541
  232   1HB   ARG  33          HB2       ARG  33 107.353   3.738  -6.077
  233   2HB   ARG  33          HB1       ARG  33 106.412   3.010  -7.373
  234   1HG   ARG  33          HG2       ARG  33 105.871   1.954  -4.683
  235   2HG   ARG  33          HG1       ARG  33 105.425   3.641  -4.945
  236   1HD   ARG  33          HD2       ARG  33 104.072   3.028  -6.850
  237   2HD   ARG  33          HD1       ARG  33 104.597   1.350  -6.723
  238    HE   ARG  33           HE       ARG  33 103.483   1.822  -4.308
  239   1HH1  ARG  33          HH11      ARG  33 102.360   2.301  -7.577
  240   2HH1  ARG  33          HH12      ARG  33 100.693   2.061  -7.172
  241   1HH2  ARG  33          HH21      ARG  33 101.293   1.505  -3.774
  242   2HH2  ARG  33          HH22      ARG  33 100.087   1.610  -5.014
  243    H    ASP  34           HN       ASP  34 109.797   3.132  -6.462
  244    HA   ASP  34           HA       ASP  34 110.423   2.522  -9.260
  245   1HB   ASP  34          HB2       ASP  34 110.968   4.834  -7.458
  246   2HB   ASP  34          HB1       ASP  34 112.130   4.495  -8.737
  247    H    TRP  35           HN       TRP  35 111.313   1.643  -6.157
  248    HA   TRP  35           HA       TRP  35 113.305   0.975  -5.186
  249   1HB   TRP  35          HB2       TRP  35 113.604  -1.280  -5.711
  250   2HB   TRP  35          HB1       TRP  35 111.939  -0.946  -6.162
  251    HD1  TRP  35           HD1      TRP  35 112.112   0.035  -9.059
  252    HE1  TRP  35           HE1      TRP  35 113.014  -1.455 -10.947
  253    HE3  TRP  35           HE3      TRP  35 114.846  -3.248  -6.258
  254    HZ2  TRP  35           HZ2      TRP  35 114.659  -3.727 -11.216
  255    HZ3  TRP  35           HZ3      TRP  35 116.054  -5.056  -7.410
  256    HH2  TRP  35           HH2      TRP  35 115.961  -5.290  -9.838
  257    H    SER  36           HN       SER  36 114.938   2.392  -5.358
  258    HA   SER  36           HA       SER  36 116.723   2.113  -7.684
  259   1HB   SER  36          HB2       SER  36 116.788   4.469  -5.816
  260   2HB   SER  36          HB1       SER  36 117.340   4.365  -7.488
  261    HG   SER  36           HG       SER  36 115.288   4.511  -8.192
  262    H    ASP  37           HN       ASP  37 116.379   1.426  -4.413
  263    HA   ASP  37           HA       ASP  37 119.087   1.755  -3.577
  264   1HB   ASP  37          HB2       ASP  37 118.347   0.278  -1.652
  265   2HB   ASP  37          HB1       ASP  37 117.443   1.774  -1.863
  266    H    GLU  38           HN       GLU  38 117.683  -0.411  -5.692
  267    HA   GLU  38           HA       GLU  38 119.588  -2.550  -5.040
  268   1HB   GLU  38          HB2       GLU  38 117.030  -2.503  -6.622
  269   2HB   GLU  38          HB1       GLU  38 118.174  -3.829  -6.771
  270   1HG   GLU  38          HG2       GLU  38 116.531  -4.500  -5.217
  271   2HG   GLU  38          HG1       GLU  38 117.991  -4.145  -4.296
  272    HA   PRO  39           HA       PRO  39 121.310  -0.503  -8.872
  273   1HB   PRO  39          HB2       PRO  39 123.792  -0.043  -7.977
  274   2HB   PRO  39          HB1       PRO  39 122.463   1.063  -7.614
  275   1HG   PRO  39          HG2       PRO  39 123.648  -1.095  -5.901
  276   2HG   PRO  39          HG1       PRO  39 123.224   0.570  -5.461
  277   1HD   PRO  39          HD2       PRO  39 121.614  -1.550  -4.917
  278   2HD   PRO  39          HD1       PRO  39 120.990   0.078  -5.248
  279    H    ILE  40           HN       ILE  40 121.233  -2.456  -9.979
  280    HA   ILE  40           HA       ILE  40 122.516  -4.820  -9.407
  281    HB   ILE  40           HB       ILE  40 122.103  -3.697 -12.180
  282   1HG1  ILE  40          HG12      ILE  40 120.258  -5.354 -10.443
  283   2HG1  ILE  40          HG11      ILE  40 120.030  -3.658 -10.860
  284   1HG2  ILE  40          HG21      ILE  40 121.728  -6.381 -12.360
  285   2HG2  ILE  40          HG22      ILE  40 123.006  -6.290 -11.148
  286   3HG2  ILE  40          HG23      ILE  40 123.239  -5.553 -12.733
  287   1HD1  ILE  40          HD11      ILE  40 118.701  -4.514 -12.448
  288   2HD1  ILE  40          HD12      ILE  40 119.507  -6.082 -12.431
  289   3HD1  ILE  40          HD13      ILE  40 120.218  -4.734 -13.319
  290    H    LYS  41           HN       LYS  41 123.860  -1.983 -11.062
  291    HA   LYS  41           HA       LYS  41 126.338  -3.306 -11.666
  292   1HB   LYS  41          HB2       LYS  41 127.068  -1.141 -12.492
  293   2HB   LYS  41          HB1       LYS  41 125.453  -1.498 -13.085
  294   1HG   LYS  41          HG2       LYS  41 125.100   0.641 -12.456
  295   2HG   LYS  41          HG1       LYS  41 124.791  -0.127 -10.896
  296   1HD   LYS  41          HD2       LYS  41 126.282   1.445 -10.207
  297   2HD   LYS  41          HD1       LYS  41 127.428   0.190 -10.677
  298   1HE   LYS  41          HE2       LYS  41 128.158   1.344 -12.482
  299   2HE   LYS  41          HE1       LYS  41 126.570   2.032 -12.817
  300   1HZ   LYS  41          HZ1       LYS  41 128.557   3.478 -11.897
  301   2HZ   LYS  41          HZ2       LYS  41 127.949   2.948 -10.411
  302   3HZ   LYS  41          HZ3       LYS  41 126.951   3.802 -11.476
  303    H    GLU  42           HN       GLU  42 125.097  -1.343  -9.068
  304    HA   GLU  42           HA       GLU  42 127.755  -1.022  -7.910
  305   1HB   GLU  42          HB2       GLU  42 125.574   0.630  -7.960
  306   2HB   GLU  42          HB1       GLU  42 125.462  -0.067  -6.350
  307   1HG   GLU  42          HG2       GLU  42 128.146   0.829  -7.088
  308   2HG   GLU  42          HG1       GLU  42 126.938   2.113  -7.030
  309    H    CYS  43           HN       CYS  43 125.506  -3.407  -7.908
  310    HA   CYS  43           HA       CYS  43 125.924  -4.119  -5.092
  311   1HB   CYS  43          HB2       CYS  43 123.809  -4.749  -7.095
  312   2HB   CYS  43          HB1       CYS  43 124.154  -5.951  -5.856
  313    H    GLY  44           HN       GLY  44 127.179  -5.793  -4.538
  314   1HA   GLY  44          HA2       GLY  44 128.506  -7.662  -4.713
  315   2HA   GLY  44          HA1       GLY  44 127.623  -8.070  -6.176
  316    H    THR  45           HN       THR  45 128.914  -4.966  -6.362
  317    HA   THR  45           HA       THR  45 130.771  -5.748  -8.391
  318    HB   THR  45           HB       THR  45 130.928  -3.003  -7.325
  319    HG1  THR  45           HG1      THR  45 128.850  -2.537  -8.324
  320   1HG2  THR  45          HG21      THR  45 131.086  -4.341  -9.889
  321   2HG2  THR  45          HG22      THR  45 131.749  -2.791  -9.372
  322   3HG2  THR  45          HG23      THR  45 130.081  -2.893  -9.935
  323    H    ASN  46           HN       ASN  46 132.543  -6.811  -7.689
  324    HA   ASN  46           HA       ASN  46 133.902  -6.143  -5.262
  325   1HB   ASN  46          HB2       ASN  46 133.981  -8.421  -6.050
  326   2HB   ASN  46          HB1       ASN  46 134.650  -7.912  -7.596
  327   1HD2  ASN  46          HD21      ASN  46 135.322  -7.843  -4.124
  328   2HD2  ASN  46          HD22      ASN  46 137.033  -8.029  -4.271
  329    H    GLU  47           HN       GLU  47 134.000  -3.808  -5.923
  330    HA   GLU  47           HA       GLU  47 135.945  -3.066  -7.912
  331   1HB   GLU  47          HB2       GLU  47 134.519  -1.379  -5.850
  332   2HB   GLU  47          HB1       GLU  47 135.447  -0.765  -7.209
  333   1HG   GLU  47          HG2       GLU  47 133.770  -1.074  -8.649
  334   2HG   GLU  47          HG1       GLU  47 133.347  -2.645  -7.970
  335    H    CYS  48           HN       CYS  48 135.891  -3.496  -4.448
  336    HA   CYS  48           HA       CYS  48 138.118  -2.000  -3.726
  337   1HB   CYS  48          HB2       CYS  48 136.974  -4.527  -2.599
  338   2HB   CYS  48          HB1       CYS  48 138.330  -3.693  -1.857
  339    H    LEU  49           HN       LEU  49 138.129  -5.520  -3.793
  340    HA   LEU  49           HA       LEU  49 140.903  -5.822  -3.996
  341   1HB   LEU  49          HB2       LEU  49 138.824  -7.732  -5.064
  342   2HB   LEU  49          HB1       LEU  49 140.473  -8.123  -4.620
  343    HG   LEU  49           HG       LEU  49 138.289  -7.261  -2.723
  344   1HD1  LEU  49          HD11      LEU  49 139.054  -9.693  -1.892
  345   2HD1  LEU  49          HD12      LEU  49 139.322  -9.873  -3.626
  346   3HD1  LEU  49          HD13      LEU  49 137.726  -9.427  -3.020
  347   1HD2  LEU  49          HD21      LEU  49 140.032  -7.988  -1.012
  348   2HD2  LEU  49          HD22      LEU  49 140.284  -6.434  -1.807
  349   3HD2  LEU  49          HD23      LEU  49 141.206  -7.847  -2.321
  350    H    ASP  50           HN       ASP  50 138.701  -4.695  -6.260
  351    HA   ASP  50           HA       ASP  50 139.594  -5.670  -8.646
  352   1HB   ASP  50          HB2       ASP  50 137.589  -4.129  -8.033
  353   2HB   ASP  50          HB1       ASP  50 138.718  -2.832  -8.417
  354    H    ASN  51           HN       ASN  51 141.398  -3.694  -6.542
  355    HA   ASN  51           HA       ASN  51 143.245  -3.100  -8.736
  356   1HB   ASN  51          HB2       ASN  51 143.657  -0.830  -7.731
  357   2HB   ASN  51          HB1       ASN  51 142.056  -1.033  -8.419
  358   1HD2  ASN  51          HD21      ASN  51 143.497   0.442  -6.033
  359   2HD2  ASN  51          HD22      ASN  51 142.299   0.333  -4.793
  360    H    ASN  52           HN       ASN  52 144.335  -1.459  -6.118
  361    HA   ASN  52           HA       ASN  52 146.325  -3.446  -5.465
  362   1HB   ASN  52          HB2       ASN  52 147.211  -1.595  -4.025
  363   2HB   ASN  52          HB1       ASN  52 146.980  -1.108  -5.700
  364   1HD2  ASN  52          HD21      ASN  52 145.389  -1.088  -2.554
  365   2HD2  ASN  52          HD22      ASN  52 144.491   0.357  -2.823
  366    H    GLY  53           HN       GLY  53 143.578  -1.853  -4.065
  367   1HA   GLY  53          HA2       GLY  53 143.019  -3.878  -2.170
  368   2HA   GLY  53          HA1       GLY  53 143.825  -2.533  -1.392
  369    H    GLY  54           HN       GLY  54 141.796  -1.967  -4.166
  370   1HA   GLY  54          HA2       GLY  54 139.679  -1.112  -4.391
  371   2HA   GLY  54          HA1       GLY  54 139.448  -1.314  -2.664
  372    H    CYS  55           HN       CYS  55 141.663   0.036  -1.806
  373    HA   CYS  55           HA       CYS  55 141.341   2.780  -2.713
  374   1HB   CYS  55          HB2       CYS  55 140.936   1.694   0.070
  375   2HB   CYS  55          HB1       CYS  55 141.260   3.383  -0.250
  376    H    SER  56           HN       SER  56 143.076   0.446  -0.664
  377    HA   SER  56           HA       SER  56 145.546   1.289  -1.631
  378   1HB   SER  56          HB2       SER  56 144.612   2.596   0.810
  379   2HB   SER  56          HB1       SER  56 146.196   1.843   0.977
  380    HG   SER  56           HG       SER  56 146.949   3.072  -0.712
  381    H    HIS  57           HN       HIS  57 144.428   0.071   1.520
  382    HA   HIS  57           HA       HIS  57 146.200  -2.236   1.138
  383   1HB   HIS  57          HB2       HIS  57 144.921  -1.172   3.660
  384   2HB   HIS  57          HB1       HIS  57 146.069  -2.505   3.569
  385    HD1  HIS  57           HD1      HIS  57 147.151  -0.464   5.304
  386    HD2  HIS  57           HD2      HIS  57 147.406  -0.068   1.177
  387    HE1  HIS  57           HE1      HIS  57 148.996   1.200   4.901
  388    HE2  HIS  57           HE2      HIS  57 149.088   1.476   2.401
  389    H    VAL  58           HN       VAL  58 143.163  -1.754   2.931
  390    HA   VAL  58           HA       VAL  58 142.056  -4.042   1.485
  391    HB   VAL  58           HB       VAL  58 140.932  -4.505   3.885
  392   1HG1  VAL  58          HG11      VAL  58 143.641  -5.662   3.403
  393   2HG1  VAL  58          HG12      VAL  58 142.341  -5.954   2.248
  394   3HG1  VAL  58          HG13      VAL  58 142.156  -6.455   3.930
  395   1HG2  VAL  58          HG21      VAL  58 143.723  -3.554   4.536
  396   2HG2  VAL  58          HG22      VAL  58 142.619  -4.365   5.647
  397   3HG2  VAL  58          HG23      VAL  58 142.223  -2.764   5.023
  398    H    CYS  59           HN       CYS  59 140.334  -3.353   0.514
  399    HA   CYS  59           HA       CYS  59 138.660  -1.313   1.805
  400   1HB   CYS  59          HB2       CYS  59 139.391  -0.322  -0.134
  401   2HB   CYS  59          HB1       CYS  59 139.458  -1.819  -1.034
  402    H    ASN  60           HN       ASN  60 136.607  -1.750   2.273
  403    HA   ASN  60           HA       ASN  60 135.617  -4.439   1.730
  404   1HB   ASN  60          HB2       ASN  60 135.395  -2.627   3.904
  405   2HB   ASN  60          HB1       ASN  60 133.771  -2.873   3.270
  406   1HD2  ASN  60          HD21      ASN  60 133.859  -3.752   5.622
  407   2HD2  ASN  60          HD22      ASN  60 134.102  -5.457   5.746
  408    H    ASP  61           HN       ASP  61 134.473  -4.745  -0.067
  409    HA   ASP  61           HA       ASP  61 132.974  -2.524  -1.216
  410   1HB   ASP  61          HB2       ASP  61 134.513  -4.462  -2.378
  411   2HB   ASP  61          HB1       ASP  61 132.891  -5.104  -2.614
  412    H    LEU  62           HN       LEU  62 130.997  -2.244  -0.515
  413    HA   LEU  62           HA       LEU  62 129.377  -4.563   0.254
  414   1HB   LEU  62          HB2       LEU  62 129.009  -1.613   0.720
  415   2HB   LEU  62          HB1       LEU  62 127.762  -2.786   1.077
  416    HG   LEU  62           HG       LEU  62 130.480  -2.573   2.366
  417   1HD1  LEU  62          HD11      LEU  62 127.812  -1.640   3.026
  418   2HD1  LEU  62          HD12      LEU  62 129.371  -1.205   3.726
  419   3HD1  LEU  62          HD13      LEU  62 128.515  -2.636   4.301
  420   1HD2  LEU  62          HD21      LEU  62 129.694  -4.474   3.780
  421   2HD2  LEU  62          HD22      LEU  62 130.037  -4.907   2.106
  422   3HD2  LEU  62          HD23      LEU  62 128.369  -4.706   2.639
  423    H    LYS  63           HN       LYS  63 126.994  -4.404  -0.327
  424    HA   LYS  63           HA       LYS  63 126.783  -4.410  -3.158
  425   1HB   LYS  63          HB2       LYS  63 124.659  -4.607  -1.019
  426   2HB   LYS  63          HB1       LYS  63 124.379  -4.893  -2.730
  427   1HG   LYS  63          HG2       LYS  63 126.575  -6.451  -1.569
  428   2HG   LYS  63          HG1       LYS  63 124.975  -6.815  -0.919
  429   1HD   LYS  63          HD2       LYS  63 125.068  -6.560  -3.839
  430   2HD   LYS  63          HD1       LYS  63 126.026  -7.895  -3.196
  431   1HE   LYS  63          HE2       LYS  63 123.148  -7.397  -2.461
  432   2HE   LYS  63          HE1       LYS  63 123.648  -8.462  -3.773
  433   1HZ   LYS  63          HZ1       LYS  63 125.121  -9.451  -1.830
  434   2HZ   LYS  63          HZ2       LYS  63 123.537  -9.971  -2.111
  435   3HZ   LYS  63          HZ3       LYS  63 123.852  -8.844  -0.890
  436    H    ILE  64           HN       ILE  64 126.235  -1.993  -0.752
  437    HA   ILE  64           HA       ILE  64 124.943  -0.288  -2.773
  438    HB   ILE  64           HB       ILE  64 123.534  -0.790  -0.795
  439   1HG1  ILE  64          HG12      ILE  64 123.946   2.060  -0.354
  440   2HG1  ILE  64          HG11      ILE  64 123.960   1.644  -2.066
  441   1HG2  ILE  64          HG21      ILE  64 124.999   1.016   0.981
  442   2HG2  ILE  64          HG22      ILE  64 125.817  -0.513   0.660
  443   3HG2  ILE  64          HG23      ILE  64 124.185  -0.511   1.328
  444   1HD1  ILE  64          HD11      ILE  64 121.759   1.516  -2.068
  445   2HD1  ILE  64          HD12      ILE  64 121.744   1.985  -0.368
  446   3HD1  ILE  64          HD13      ILE  64 121.806   0.278  -0.812
  447    H    GLY  65           HN       GLY  65 127.845  -0.699  -2.351
  448   1HA   GLY  65          HA2       GLY  65 129.158   1.374  -2.992
  449   2HA   GLY  65          HA1       GLY  65 128.590   2.012  -1.459
  450    H    TYR  66           HN       TYR  66 131.305   1.258  -2.630
  451    HA   TYR  66           HA       TYR  66 132.181  -0.666  -0.612
  452   1HB   TYR  66          HB2       TYR  66 134.204  -0.895  -1.901
  453   2HB   TYR  66          HB1       TYR  66 132.832  -1.005  -2.994
  454    HD1  TYR  66           HD1      TYR  66 135.253   1.521  -1.676
  455    HD2  TYR  66           HD2      TYR  66 132.874   0.217  -4.955
  456    HE1  TYR  66           HE1      TYR  66 136.231   3.286  -3.081
  457    HE2  TYR  66           HE2      TYR  66 133.844   1.981  -6.366
  458    HH   TYR  66           HH       TYR  66 134.947   4.149  -6.109
  459    H    GLU  67           HN       GLU  67 133.727  -0.209   0.922
  460    HA   GLU  67           HA       GLU  67 134.546   2.611   1.150
  461   1HB   GLU  67          HB2       GLU  67 134.560   1.517   3.747
  462   2HB   GLU  67          HB1       GLU  67 133.502   2.766   3.114
  463   1HG   GLU  67          HG2       GLU  67 132.850  -0.117   2.689
  464   2HG   GLU  67          HG1       GLU  67 132.496   0.661   4.230
  465    H    CYS  68           HN       CYS  68 136.504   2.911   2.513
  466    HA   CYS  68           HA       CYS  68 138.428   0.804   1.872
  467   1HB   CYS  68          HB2       CYS  68 139.222   3.478   2.957
  468   2HB   CYS  68          HB1       CYS  68 140.077   2.434   1.828
  469    H    LEU  69           HN       LEU  69 139.636  -0.235   3.375
  470    HA   LEU  69           HA       LEU  69 139.078   0.388   6.201
  471   1HB   LEU  69          HB2       LEU  69 139.814  -2.369   5.314
  472   2HB   LEU  69          HB1       LEU  69 138.916  -1.863   6.728
  473    HG   LEU  69           HG       LEU  69 137.898  -1.951   3.890
  474   1HD1  LEU  69          HD11      LEU  69 137.423  -4.056   4.420
  475   2HD1  LEU  69          HD12      LEU  69 136.249  -3.417   5.569
  476   3HD1  LEU  69          HD13      LEU  69 137.881  -3.812   6.105
  477   1HD2  LEU  69          HD21      LEU  69 137.123  -0.071   5.624
  478   2HD2  LEU  69          HD22      LEU  69 136.081  -1.388   6.158
  479   3HD2  LEU  69          HD23      LEU  69 136.014  -0.834   4.484
  480    H    CYS  70           HN       CYS  70 140.785  -0.269   7.718
  481    HA   CYS  70           HA       CYS  70 143.425  -0.759   6.665
  482   1HB   CYS  70          HB2       CYS  70 142.805   1.827   6.650
  483   2HB   CYS  70          HB1       CYS  70 143.228   1.696   8.353
  484    HA   PRO  71           HA       PRO  71 143.831  -3.098  10.406
  485   1HB   PRO  71          HB2       PRO  71 146.529  -1.800  10.464
  486   2HB   PRO  71          HB1       PRO  71 146.095  -3.496  10.708
  487   1HG   PRO  71          HG2       PRO  71 147.108  -2.681   8.387
  488   2HG   PRO  71          HG1       PRO  71 145.810  -3.888   8.439
  489   1HD   PRO  71          HD2       PRO  71 145.703  -1.030   7.646
  490   2HD   PRO  71          HD1       PRO  71 144.708  -2.392   7.098
  491    H    ASP  72           HN       ASP  72 144.116  -2.807  12.703
  492    HA   ASP  72           HA       ASP  72 142.930  -0.548  13.757
  493   1HB   ASP  72          HB2       ASP  72 143.321  -2.834  14.851
  494   2HB   ASP  72          HB1       ASP  72 144.899  -2.210  15.318
  495    H    GLY  73           HN       GLY  73 143.646   1.289  14.802
  496   1HA   GLY  73          HA2       GLY  73 145.157   2.906  15.520
  497   2HA   GLY  73          HA1       GLY  73 146.474   1.855  15.028
  498    H    PHE  74           HN       PHE  74 145.930   1.485  12.343
  499    HA   PHE  74           HA       PHE  74 146.934   3.900  11.253
  500   1HB   PHE  74          HB2       PHE  74 146.005   1.309  10.050
  501   2HB   PHE  74          HB1       PHE  74 146.472   2.662   9.033
  502    HD1  PHE  74           HD1      PHE  74 148.757   3.777  10.451
  503    HD2  PHE  74           HD2      PHE  74 147.658  -0.284   9.817
  504    HE1  PHE  74           HE1      PHE  74 151.118   3.112  10.649
  505    HE2  PHE  74           HE2      PHE  74 150.017  -0.958  10.016
  506    HZ   PHE  74           HZ       PHE  74 151.750   0.742  10.432
  507    H    GLN  75           HN       GLN  75 146.020   5.333   9.807
  508    HA   GLN  75           HA       GLN  75 143.076   5.392   9.790
  509   1HB   GLN  75          HB2       GLN  75 144.060   7.247  11.050
  510   2HB   GLN  75          HB1       GLN  75 145.037   7.691   9.658
  511   1HG   GLN  75          HG2       GLN  75 143.175   8.436   8.447
  512   2HG   GLN  75          HG1       GLN  75 142.043   7.638   9.537
  513   1HE2  GLN  75          HE21      GLN  75 141.557  10.189   8.979
  514   2HE2  GLN  75          HE22      GLN  75 141.941  11.212  10.317
  515    H    LEU  76           HN       LEU  76 142.128   6.489   7.858
  516    HA   LEU  76           HA       LEU  76 143.628   5.696   5.465
  517   1HB   LEU  76          HB2       LEU  76 141.491   4.565   5.772
  518   2HB   LEU  76          HB1       LEU  76 140.667   6.110   5.864
  519    HG   LEU  76           HG       LEU  76 141.866   6.336   3.440
  520   1HD1  LEU  76          HD11      LEU  76 141.275   3.419   3.880
  521   2HD1  LEU  76          HD12      LEU  76 142.793   4.152   3.364
  522   3HD1  LEU  76          HD13      LEU  76 141.399   4.158   2.284
  523   1HD2  LEU  76          HD21      LEU  76 139.608   5.512   2.552
  524   2HD2  LEU  76          HD22      LEU  76 139.604   6.879   3.666
  525   3HD2  LEU  76          HD23      LEU  76 139.181   5.268   4.246
  526    H    VAL  77           HN       VAL  77 144.663   7.365   4.517
  527    HA   VAL  77           HA       VAL  77 143.487  10.018   4.654
  528    HB   VAL  77           HB       VAL  77 145.702  10.748   3.680
  529   1HG1  VAL  77          HG11      VAL  77 146.851   9.913   5.995
  530   2HG1  VAL  77          HG12      VAL  77 145.140   9.712   6.365
  531   3HG1  VAL  77          HG13      VAL  77 145.752  11.285   5.859
  532   1HG2  VAL  77          HG21      VAL  77 146.539   7.952   4.434
  533   2HG2  VAL  77          HG22      VAL  77 147.561   9.231   3.781
  534   3HG2  VAL  77          HG23      VAL  77 146.300   8.515   2.780
  535    H    ALA  78           HN       ALA  78 142.978  11.252   2.915
  536    HA   ALA  78           HA       ALA  78 142.476  11.819   0.759
  537   1HB   ALA  78          HB1       ALA  78 143.682  10.957  -1.031
  538   2HB   ALA  78          HB2       ALA  78 143.873   9.377  -0.270
  539   3HB   ALA  78          HB3       ALA  78 144.784  10.762   0.333
  540    H    GLN  79           HN       GLN  79 141.050   9.703   2.458
  541    HA   GLN  79           HA       GLN  79 139.114   8.538   2.325
  542   1HB   GLN  79          HB2       GLN  79 139.073  10.123  -0.187
  543   2HB   GLN  79          HB1       GLN  79 137.950   8.774  -0.070
  544   1HG   GLN  79          HG2       GLN  79 136.817   9.716   1.730
  545   2HG   GLN  79          HG1       GLN  79 138.141  10.814   2.110
  546   1HE2  GLN  79          HE21      GLN  79 135.642  10.105  -0.267
  547   2HE2  GLN  79          HE22      GLN  79 135.462  11.727  -0.832
  548    H    ARG  80           HN       ARG  80 141.820   7.576   1.015
  549    HA   ARG  80           HA       ARG  80 140.771   4.985   0.371
  550   1HB   ARG  80          HB2       ARG  80 142.040   6.660  -1.769
  551   2HB   ARG  80          HB1       ARG  80 142.087   4.912  -1.830
  552   1HG   ARG  80          HG2       ARG  80 139.446   5.346  -1.398
  553   2HG   ARG  80          HG1       ARG  80 139.878   6.757  -2.365
  554   1HD   ARG  80          HD2       ARG  80 141.133   4.516  -3.549
  555   2HD   ARG  80          HD1       ARG  80 139.467   4.054  -3.205
  556    HE   ARG  80           HE       ARG  80 138.812   5.409  -4.909
  557   1HH1  ARG  80          HH11      ARG  80 141.949   6.482  -3.820
  558   2HH1  ARG  80          HH12      ARG  80 142.103   7.688  -5.052
  559   1HH2  ARG  80          HH21      ARG  80 139.013   6.995  -6.531
  560   2HH2  ARG  80          HH22      ARG  80 140.436   7.980  -6.592
  561    H    ARG  81           HN       ARG  81 143.568   7.101   0.715
  562    HA   ARG  81           HA       ARG  81 145.383   4.867   0.818
  563   1HB   ARG  81          HB2       ARG  81 145.633   7.783   0.764
  564   2HB   ARG  81          HB1       ARG  81 146.831   6.974   1.764
  565   1HG   ARG  81          HG2       ARG  81 147.884   7.059  -0.275
  566   2HG   ARG  81          HG1       ARG  81 147.155   5.452  -0.312
  567   1HD   ARG  81          HD2       ARG  81 145.143   6.874  -1.366
  568   2HD   ARG  81          HD1       ARG  81 146.501   7.877  -1.874
  569    HE   ARG  81           HE       ARG  81 147.032   5.169  -2.460
  570   1HH1  ARG  81          HH11      ARG  81 145.053   7.840  -3.521
  571   2HH1  ARG  81          HH12      ARG  81 144.948   7.275  -5.156
  572   1HH2  ARG  81          HH21      ARG  81 146.897   4.425  -4.608
  573   2HH2  ARG  81          HH22      ARG  81 145.994   5.337  -5.773
  574    H    CYS  82           HN       CYS  82 146.875   4.570   2.641
  575    HA   CYS  82           HA       CYS  82 145.380   4.744   5.163
  576   1HB   CYS  82          HB2       CYS  82 147.141   2.687   3.960
  577   2HB   CYS  82          HB1       CYS  82 147.213   2.873   5.709
  578    H    GLU  83           HN       GLU  83 146.077   6.554   6.165
  579    HA   GLU  83           HA       GLU  83 148.645   6.575   7.342
  580   1HB   GLU  83          HB2       GLU  83 148.564   7.689   4.762
  581   2HB   GLU  83          HB1       GLU  83 148.614   9.056   5.867
  582   1HG   GLU  83          HG2       GLU  83 150.519   7.426   6.923
  583   2HG   GLU  83          HG1       GLU  83 150.674   7.094   5.198
  Start of MODEL    5
    1   1H    GLY   1           HT1      GLY   1 115.157   0.593  26.689
    2   2H    GLY   1           HT2      GLY   1 114.149  -0.129  25.538
    3   3H    GLY   1           HT3      GLY   1 114.145  -0.689  27.134
    4   1HA   GLY   1          HA1       GLY   1 112.217   0.588  26.988
    5   2HA   GLY   1          HA2       GLY   1 113.390   1.609  27.807
    6    H    ASN   2           HN       ASN   2 114.940   2.268  25.501
    7    HA   ASN   2           HA       ASN   2 113.324   4.411  24.489
    8   1HB   ASN   2          HB2       ASN   2 116.174   3.555  24.176
    9   2HB   ASN   2          HB1       ASN   2 115.498   4.700  23.020
   10   1HD2  ASN   2          HD21      ASN   2 115.637   4.143  26.521
   11   2HD2  ASN   2          HD22      ASN   2 115.872   5.802  26.947
   12    H    VAL   3           HN       VAL   3 112.504   4.700  22.457
   13    HA   VAL   3           HA       VAL   3 112.660   2.380  20.642
   14    HB   VAL   3           HB       VAL   3 110.390   3.150  19.813
   15   1HG1  VAL   3          HG11      VAL   3 109.196   2.130  21.799
   16   2HG1  VAL   3          HG12      VAL   3 110.772   2.047  22.585
   17   3HG1  VAL   3          HG13      VAL   3 110.486   1.163  21.086
   18   1HG2  VAL   3          HG21      VAL   3 110.194   4.558  22.459
   19   2HG2  VAL   3          HG22      VAL   3 109.071   4.605  21.100
   20   3HG2  VAL   3          HG23      VAL   3 110.637   5.405  20.977
   21    H    THR   4           HN       THR   4 112.658   2.797  18.396
   22    HA   THR   4           HA       THR   4 113.373   5.564  17.673
   23    HB   THR   4           HB       THR   4 114.765   4.461  15.840
   24    HG1  THR   4           HG1      THR   4 114.413   2.218  17.538
   25   1HG2  THR   4          HG21      THR   4 116.517   4.898  17.108
   26   2HG2  THR   4          HG22      THR   4 116.190   3.490  18.119
   27   3HG2  THR   4          HG23      THR   4 115.436   5.039  18.493
   28    H    LEU   5           HN       LEU   5 112.405   6.449  15.922
   29    HA   LEU   5           HA       LEU   5 110.117   5.074  14.835
   30   1HB   LEU   5          HB2       LEU   5 111.266   7.817  14.333
   31   2HB   LEU   5          HB1       LEU   5 109.811   7.219  13.559
   32    HG   LEU   5           HG       LEU   5 110.207   7.690  16.513
   33   1HD1  LEU   5          HD11      LEU   5 108.600   9.087  14.389
   34   2HD1  LEU   5          HD12      LEU   5 109.880   9.757  15.401
   35   3HD1  LEU   5          HD13      LEU   5 108.331   9.315  16.117
   36   1HD2  LEU   5          HD21      LEU   5 108.822   5.771  16.307
   37   2HD2  LEU   5          HD22      LEU   5 107.903   6.495  14.988
   38   3HD2  LEU   5          HD23      LEU   5 107.758   7.141  16.622
   39    H    CYS   6           HN       CYS   6 112.557   6.973  13.082
   40    HA   CYS   6           HA       CYS   6 112.746   4.774  11.132
   41   1HB   CYS   6          HB2       CYS   6 111.683   7.332  10.683
   42   2HB   CYS   6          HB1       CYS   6 113.279   7.357   9.941
   43    H    GLU   7           HN       GLU   7 114.351   7.578  12.573
   44    HA   GLU   7           HA       GLU   7 116.877   7.123  11.370
   45   1HB   GLU   7          HB2       GLU   7 116.359   8.537  13.987
   46   2HB   GLU   7          HB1       GLU   7 117.728   8.761  12.906
   47   1HG   GLU   7          HG2       GLU   7 116.591  10.516  12.143
   48   2HG   GLU   7          HG1       GLU   7 115.630   9.328  11.265
   49    H    GLY   8           HN       GLY   8 118.785   6.261  12.293
   50   1HA   GLY   8          HA2       GLY   8 119.422   5.243  14.652
   51   2HA   GLY   8          HA1       GLY   8 118.249   4.048  14.119
   52    HA   PRO   9           HA       PRO   9 122.518   2.917  12.543
   53   1HB   PRO   9          HB2       PRO   9 122.627   0.443  13.639
   54   2HB   PRO   9          HB1       PRO   9 123.158   1.894  14.495
   55   1HG   PRO   9          HG2       PRO   9 120.574   0.401  14.718
   56   2HG   PRO   9          HG1       PRO   9 121.584   1.090  16.002
   57   1HD   PRO   9          HD2       PRO   9 119.350   2.317  15.070
   58   2HD   PRO   9          HD1       PRO   9 120.751   3.213  15.693
   59    H    ASN  10           HN       ASN  10 119.324   1.774  12.300
   60    HA   ASN  10           HA       ASN  10 120.074   0.056  10.025
   61   1HB   ASN  10          HB2       ASN  10 118.034  -1.248  10.453
   62   2HB   ASN  10          HB1       ASN  10 119.113  -1.266  11.844
   63   1HD2  ASN  10          HD21      ASN  10 116.221   0.234  10.518
   64   2HD2  ASN  10          HD22      ASN  10 115.500   0.618  12.040
   65    H    LYS  11           HN       LYS  11 119.397   2.992  10.210
   66    HA   LYS  11           HA       LYS  11 116.864   3.167   8.806
   67   1HB   LYS  11          HB2       LYS  11 117.579   4.863  10.507
   68   2HB   LYS  11          HB1       LYS  11 118.848   5.369   9.399
   69   1HG   LYS  11          HG2       LYS  11 116.124   5.321   8.283
   70   2HG   LYS  11          HG1       LYS  11 116.424   6.522   9.540
   71   1HD   LYS  11          HD2       LYS  11 118.629   6.867   8.043
   72   2HD   LYS  11          HD1       LYS  11 117.503   6.330   6.796
   73   1HE   LYS  11          HE2       LYS  11 116.227   8.199   6.951
   74   2HE   LYS  11          HE1       LYS  11 116.512   8.380   8.681
   75   1HZ   LYS  11          HZ1       LYS  11 118.867   9.024   7.987
   76   2HZ   LYS  11          HZ2       LYS  11 117.636  10.155   7.729
   77   3HZ   LYS  11          HZ3       LYS  11 118.225   9.238   6.436
   78    H    PHE  12           HN       PHE  12 116.656   4.203   6.729
   79    HA   PHE  12           HA       PHE  12 118.970   4.524   5.056
   80   1HB   PHE  12          HB2       PHE  12 118.392   1.990   5.159
   81   2HB   PHE  12          HB1       PHE  12 117.031   2.426   4.130
   82    HD1  PHE  12           HD1      PHE  12 120.527   1.692   4.264
   83    HD2  PHE  12           HD2      PHE  12 117.510   3.580   1.933
   84    HE1  PHE  12           HE1      PHE  12 121.996   1.593   2.292
   85    HE2  PHE  12           HE2      PHE  12 118.971   3.485  -0.044
   86    HZ   PHE  12           HZ       PHE  12 121.217   2.490   0.135
   87    H    LYS  13           HN       LYS  13 118.549   5.770   3.263
   88    HA   LYS  13           HA       LYS  13 115.743   6.597   2.904
   89   1HB   LYS  13          HB2       LYS  13 116.595   8.800   2.207
   90   2HB   LYS  13          HB1       LYS  13 117.073   8.405   3.853
   91   1HG   LYS  13          HG2       LYS  13 119.093   9.088   3.174
   92   2HG   LYS  13          HG1       LYS  13 119.205   7.470   2.477
   93   1HD   LYS  13          HD2       LYS  13 119.826   8.937   0.743
   94   2HD   LYS  13          HD1       LYS  13 118.162   8.473   0.382
   95   1HE   LYS  13          HE2       LYS  13 118.231  10.792   0.039
   96   2HE   LYS  13          HE1       LYS  13 117.476  10.590   1.619
   97   1HZ   LYS  13          HZ1       LYS  13 119.219  12.351   1.492
   98   2HZ   LYS  13          HZ2       LYS  13 120.368  11.132   1.260
   99   3HZ   LYS  13          HZ3       LYS  13 119.479  11.191   2.697
  100    H    CYS  14           HN       CYS  14 114.980   6.892   0.808
  101    HA   CYS  14           HA       CYS  14 116.646   5.653  -1.273
  102   1HB   CYS  14          HB2       CYS  14 114.084   5.027  -0.472
  103   2HB   CYS  14          HB1       CYS  14 113.808   6.019  -1.900
  104    H    HIS  15           HN       HIS  15 116.030   6.441  -3.554
  105    HA   HIS  15           HA       HIS  15 116.814   9.100  -3.832
  106   1HB   HIS  15          HB2       HIS  15 116.145   6.923  -5.559
  107   2HB   HIS  15          HB1       HIS  15 115.334   8.369  -6.148
  108    HD1  HIS  15           HD1      HIS  15 118.660   8.658  -4.472
  109    HD2  HIS  15           HD2      HIS  15 117.092   8.586  -8.319
  110    HE1  HIS  15           HE1      HIS  15 120.535   9.396  -5.977
  111    HE2  HIS  15           HE2      HIS  15 119.590   9.256  -8.307
  112    H    SER  16           HN       SER  16 113.651   7.704  -3.437
  113    HA   SER  16           HA       SER  16 112.341  10.231  -4.090
  114   1HB   SER  16          HB2       SER  16 111.554   7.741  -4.667
  115   2HB   SER  16          HB1       SER  16 110.784   7.899  -3.089
  116    HG   SER  16           HG       SER  16 110.484   9.722  -5.245
  117    H    GLY  17           HN       GLY  17 114.057   9.790  -1.664
  118   1HA   GLY  17          HA2       GLY  17 114.051  10.448   0.532
  119   2HA   GLY  17          HA1       GLY  17 112.556  11.295   0.167
  120    H    GLU  18           HN       GLU  18 112.817   7.854  -0.281
  121    HA   GLU  18           HA       GLU  18 110.748   7.458   1.723
  122   1HB   GLU  18          HB2       GLU  18 111.849   5.871  -0.547
  123   2HB   GLU  18          HB1       GLU  18 111.102   4.992   0.781
  124   1HG   GLU  18          HG2       GLU  18 109.165   6.725   0.411
  125   2HG   GLU  18          HG1       GLU  18 109.881   6.843  -1.196
  126    H    CYS  19           HN       CYS  19 111.197   6.901   3.736
  127    HA   CYS  19           HA       CYS  19 113.864   6.062   4.472
  128   1HB   CYS  19          HB2       CYS  19 112.705   7.678   5.878
  129   2HB   CYS  19          HB1       CYS  19 111.385   6.543   6.138
  130    H    ILE  20           HN       ILE  20 114.496   4.000   4.553
  131    HA   ILE  20           HA       ILE  20 112.601   1.941   5.366
  132    HB   ILE  20           HB       ILE  20 113.660   0.446   3.575
  133   1HG1  ILE  20          HG12      ILE  20 114.058   2.932   1.976
  134   2HG1  ILE  20          HG11      ILE  20 115.332   2.458   3.095
  135   1HG2  ILE  20          HG21      ILE  20 111.484   0.742   3.074
  136   2HG2  ILE  20          HG22      ILE  20 112.136   1.741   1.775
  137   3HG2  ILE  20          HG23      ILE  20 111.567   2.493   3.264
  138   1HD1  ILE  20          HD11      ILE  20 115.545   1.667   0.703
  139   2HD1  ILE  20          HD12      ILE  20 114.211   0.569   1.055
  140   3HD1  ILE  20          HD13      ILE  20 115.719   0.443   1.961
  141    H    THR  21           HN       THR  21 113.988  -0.223   5.557
  142    HA   THR  21           HA       THR  21 116.263   0.552   7.202
  143    HB   THR  21           HB       THR  21 115.816  -1.206   8.500
  144    HG1  THR  21           HG1      THR  21 115.193  -2.747   6.205
  145   1HG2  THR  21          HG21      THR  21 113.570  -1.978   8.584
  146   2HG2  THR  21          HG22      THR  21 113.299  -1.526   6.901
  147   3HG2  THR  21          HG23      THR  21 113.555  -0.277   8.120
  148    H    LEU  22           HN       LEU  22 118.317  -0.191   6.952
  149    HA   LEU  22           HA       LEU  22 119.217  -0.650   4.322
  150   1HB   LEU  22          HB2       LEU  22 121.406  -0.826   5.279
  151   2HB   LEU  22          HB1       LEU  22 120.521   0.445   6.096
  152    HG   LEU  22           HG       LEU  22 119.976  -1.469   7.821
  153   1HD1  LEU  22          HD11      LEU  22 122.213  -2.538   6.201
  154   2HD1  LEU  22          HD12      LEU  22 120.926  -3.385   7.061
  155   3HD1  LEU  22          HD13      LEU  22 122.307  -2.741   7.950
  156   1HD2  LEU  22          HD21      LEU  22 122.674  -0.127   7.702
  157   2HD2  LEU  22          HD22      LEU  22 121.875  -0.751   9.145
  158   3HD2  LEU  22          HD23      LEU  22 121.187   0.623   8.280
  159    H    ASP  23           HN       ASP  23 118.277  -2.808   6.862
  160    HA   ASP  23           HA       ASP  23 119.675  -5.082   6.362
  161   1HB   ASP  23          HB2       ASP  23 116.694  -4.973   6.835
  162   2HB   ASP  23          HB1       ASP  23 117.723  -6.376   7.078
  163    H    LYS  24           HN       LYS  24 116.413  -4.634   4.940
  164    HA   LYS  24           HA       LYS  24 116.898  -6.614   3.041
  165   1HB   LYS  24          HB2       LYS  24 114.732  -5.693   2.048
  166   2HB   LYS  24          HB1       LYS  24 114.671  -6.356   3.669
  167   1HG   LYS  24          HG2       LYS  24 113.370  -4.318   3.499
  168   2HG   LYS  24          HG1       LYS  24 114.738  -4.089   4.587
  169   1HD   LYS  24          HD2       LYS  24 115.878  -2.747   3.070
  170   2HD   LYS  24          HD1       LYS  24 114.969  -3.368   1.690
  171   1HE   LYS  24          HE2       LYS  24 114.000  -1.491   3.835
  172   2HE   LYS  24          HE1       LYS  24 114.223  -1.140   2.122
  173   1HZ   LYS  24          HZ1       LYS  24 112.058  -2.561   3.461
  174   2HZ   LYS  24          HZ2       LYS  24 112.518  -3.139   1.941
  175   3HZ   LYS  24          HZ3       LYS  24 112.011  -1.536   2.116
  176    H    VAL  25           HN       VAL  25 118.383  -3.737   3.006
  177    HA   VAL  25           HA       VAL  25 117.834  -2.650   0.481
  178    HB   VAL  25           HB       VAL  25 119.826  -2.228   2.518
  179   1HG1  VAL  25          HG11      VAL  25 120.851  -2.146  -0.311
  180   2HG1  VAL  25          HG12      VAL  25 121.458  -3.147   1.008
  181   3HG1  VAL  25          HG13      VAL  25 121.648  -1.395   1.072
  182   1HG2  VAL  25          HG21      VAL  25 118.022  -0.705   1.499
  183   2HG2  VAL  25          HG22      VAL  25 119.228  -0.371   0.256
  184   3HG2  VAL  25          HG23      VAL  25 119.575   0.002   1.945
  185    H    CYS  26           HN       CYS  26 118.515  -3.087  -1.544
  186    HA   CYS  26           HA       CYS  26 119.425  -4.192  -3.309
  187   1HB   CYS  26          HB2       CYS  26 121.591  -3.761  -2.177
  188   2HB   CYS  26          HB1       CYS  26 121.418  -5.282  -1.309
  189    H    ASN  27           HN       ASN  27 117.295  -5.343  -1.703
  190    HA   ASN  27           HA       ASN  27 117.678  -8.123  -1.364
  191   1HB   ASN  27          HB2       ASN  27 115.189  -8.208  -1.275
  192   2HB   ASN  27          HB1       ASN  27 115.879  -6.988  -0.207
  193   1HD2  ASN  27          HD21      ASN  27 113.237  -6.936  -1.005
  194   2HD2  ASN  27          HD22      ASN  27 112.981  -5.565  -2.024
  195    H    MET  28           HN       MET  28 115.841  -9.535  -2.628
  196    HA   MET  28           HA       MET  28 116.778  -9.538  -5.373
  197   1HB   MET  28          HB2       MET  28 115.659 -11.685  -5.556
  198   2HB   MET  28          HB1       MET  28 116.628 -11.646  -4.089
  199   1HG   MET  28          HG2       MET  28 114.556 -11.095  -2.821
  200   2HG   MET  28          HG1       MET  28 113.643 -11.351  -4.307
  201   1HE   MET  28          HE1       MET  28 112.139 -13.822  -3.696
  202   2HE   MET  28          HE2       MET  28 113.124 -14.878  -4.707
  203   3HE   MET  28          HE3       MET  28 112.874 -13.195  -5.171
  204    H    ALA  29           HN       ALA  29 113.943  -8.722  -3.554
  205    HA   ALA  29           HA       ALA  29 112.357  -8.363  -5.993
  206   1HB   ALA  29          HB1       ALA  29 111.510  -8.151  -3.105
  207   2HB   ALA  29          HB2       ALA  29 111.305  -9.569  -4.135
  208   3HB   ALA  29          HB3       ALA  29 110.448  -8.074  -4.511
  209    H    ARG  30           HN       ARG  30 110.924  -6.342  -5.964
  210    HA   ARG  30           HA       ARG  30 112.646  -4.064  -5.889
  211   1HB   ARG  30          HB2       ARG  30 110.712  -4.550  -7.520
  212   2HB   ARG  30          HB1       ARG  30 109.663  -3.947  -6.245
  213   1HG   ARG  30          HG2       ARG  30 110.808  -1.808  -6.280
  214   2HG   ARG  30          HG1       ARG  30 111.920  -2.408  -7.511
  215   1HD   ARG  30          HD2       ARG  30 110.175  -1.053  -8.522
  216   2HD   ARG  30          HD1       ARG  30 110.038  -2.731  -9.045
  217    HE   ARG  30           HE       ARG  30 108.008  -2.866  -7.987
  218   1HH1  ARG  30          HH11      ARG  30 109.659   0.021  -6.926
  219   2HH1  ARG  30          HH12      ARG  30 108.283   0.649  -6.084
  220   1HH2  ARG  30          HH21      ARG  30 106.198  -2.041  -6.879
  221   2HH2  ARG  30          HH22      ARG  30 106.318  -0.521  -6.056
  222    H    ASP  31           HN       ASP  31 112.866  -2.539  -4.375
  223    HA   ASP  31           HA       ASP  31 111.073  -2.658  -2.041
  224   1HB   ASP  31          HB2       ASP  31 114.007  -2.415  -2.291
  225   2HB   ASP  31          HB1       ASP  31 113.262  -1.372  -1.084
  226    H    CYS  32           HN       CYS  32 112.523  -0.630  -4.462
  227    HA   CYS  32           HA       CYS  32 110.960   1.639  -3.431
  228   1HB   CYS  32          HB2       CYS  32 113.835   1.527  -4.188
  229   2HB   CYS  32          HB1       CYS  32 112.937   2.968  -4.649
  230    H    ARG  33           HN       ARG  33 110.625   3.336  -5.165
  231    HA   ARG  33           HA       ARG  33 109.622   2.010  -7.530
  232   1HB   ARG  33          HB2       ARG  33 109.545   4.962  -6.902
  233   2HB   ARG  33          HB1       ARG  33 108.523   4.081  -8.029
  234   1HG   ARG  33          HG2       ARG  33 107.030   3.980  -6.389
  235   2HG   ARG  33          HG1       ARG  33 108.090   2.787  -5.635
  236   1HD   ARG  33          HD2       ARG  33 107.541   4.507  -4.032
  237   2HD   ARG  33          HD1       ARG  33 109.249   4.615  -4.450
  238    HE   ARG  33           HE       ARG  33 108.860   6.711  -5.251
  239   1HH1  ARG  33          HH11      ARG  33 105.823   4.997  -5.150
  240   2HH1  ARG  33          HH12      ARG  33 104.886   6.378  -5.618
  241   1HH2  ARG  33          HH21      ARG  33 107.631   8.527  -5.866
  242   2HH2  ARG  33          HH22      ARG  33 105.912   8.381  -6.024
  243    H    ASP  34           HN       ASP  34 112.172   4.269  -6.682
  244    HA   ASP  34           HA       ASP  34 112.943   4.656  -9.450
  245   1HB   ASP  34          HB2       ASP  34 113.742   5.808  -6.827
  246   2HB   ASP  34          HB1       ASP  34 114.942   5.828  -8.115
  247    H    TRP  35           HN       TRP  35 113.466   2.286  -7.162
  248    HA   TRP  35           HA       TRP  35 114.875   0.514  -7.026
  249   1HB   TRP  35          HB2       TRP  35 115.380   1.429  -9.839
  250   2HB   TRP  35          HB1       TRP  35 116.334   0.122  -9.148
  251    HD1  TRP  35           HD1      TRP  35 112.557   0.946  -9.536
  252    HE1  TRP  35           HE1      TRP  35 111.328  -1.244 -10.100
  253    HE3  TRP  35           HE3      TRP  35 116.517  -2.276  -9.351
  254    HZ2  TRP  35           HZ2      TRP  35 111.955  -3.978 -10.415
  255    HZ3  TRP  35           HZ3      TRP  35 116.119  -4.663  -9.793
  256    HH2  TRP  35           HH2      TRP  35 113.883  -5.495 -10.313
  257    H    SER  36           HN       SER  36 115.743   3.371  -6.368
  258    HA   SER  36           HA       SER  36 118.542   3.519  -6.797
  259   1HB   SER  36          HB2       SER  36 117.422   5.559  -6.297
  260   2HB   SER  36          HB1       SER  36 116.692   4.886  -4.840
  261    HG   SER  36           HG       SER  36 118.363   5.662  -3.848
  262    H    ASP  37           HN       ASP  37 116.534   2.009  -4.385
  263    HA   ASP  37           HA       ASP  37 118.616   1.555  -2.481
  264   1HB   ASP  37          HB2       ASP  37 116.022   1.558  -2.156
  265   2HB   ASP  37          HB1       ASP  37 116.138  -0.130  -2.644
  266    H    GLU  38           HN       GLU  38 117.297  -0.200  -5.209
  267    HA   GLU  38           HA       GLU  38 119.108  -2.446  -4.654
  268   1HB   GLU  38          HB2       GLU  38 116.653  -2.214  -6.389
  269   2HB   GLU  38          HB1       GLU  38 117.727  -3.604  -6.443
  270   1HG   GLU  38          HG2       GLU  38 115.750  -3.980  -5.044
  271   2HG   GLU  38          HG1       GLU  38 117.258  -4.119  -4.141
  272    HA   PRO  39           HA       PRO  39 121.042  -0.248  -8.292
  273   1HB   PRO  39          HB2       PRO  39 123.482   0.145  -7.276
  274   2HB   PRO  39          HB1       PRO  39 122.148   1.238  -6.894
  275   1HG   PRO  39          HG2       PRO  39 123.259  -1.027  -5.272
  276   2HG   PRO  39          HG1       PRO  39 122.828   0.614  -4.748
  277   1HD   PRO  39          HD2       PRO  39 121.189  -1.536  -4.401
  278   2HD   PRO  39          HD1       PRO  39 120.591   0.121  -4.622
  279    H    ILE  40           HN       ILE  40 120.947  -2.202  -9.445
  280    HA   ILE  40           HA       ILE  40 122.225  -4.580  -8.903
  281    HB   ILE  40           HB       ILE  40 121.877  -3.421 -11.669
  282   1HG1  ILE  40          HG12      ILE  40 119.939  -4.969  -9.934
  283   2HG1  ILE  40          HG11      ILE  40 119.766  -3.299 -10.462
  284   1HG2  ILE  40          HG21      ILE  40 122.399  -5.433 -12.503
  285   2HG2  ILE  40          HG22      ILE  40 121.506  -6.291 -11.247
  286   3HG2  ILE  40          HG23      ILE  40 123.146  -5.726 -10.932
  287   1HD1  ILE  40          HD11      ILE  40 118.867  -5.649 -11.735
  288   2HD1  ILE  40          HD12      ILE  40 120.105  -4.924 -12.761
  289   3HD1  ILE  40          HD13      ILE  40 118.701  -3.977 -12.269
  290    H    LYS  41           HN       LYS  41 123.545  -1.765 -10.635
  291    HA   LYS  41           HA       LYS  41 125.999  -2.965 -11.330
  292   1HB   LYS  41          HB2       LYS  41 124.792  -0.646 -11.989
  293   2HB   LYS  41          HB1       LYS  41 125.968  -0.047 -10.827
  294   1HG   LYS  41          HG2       LYS  41 127.721  -0.452 -12.186
  295   2HG   LYS  41          HG1       LYS  41 126.998  -1.910 -12.868
  296   1HD   LYS  41          HD2       LYS  41 125.698  -0.689 -14.390
  297   2HD   LYS  41          HD1       LYS  41 125.923   0.821 -13.503
  298   1HE   LYS  41          HE2       LYS  41 128.387  -0.460 -14.481
  299   2HE   LYS  41          HE1       LYS  41 127.299   0.144 -15.731
  300   1HZ   LYS  41          HZ1       LYS  41 127.628   2.285 -15.115
  301   2HZ   LYS  41          HZ2       LYS  41 129.114   1.665 -14.598
  302   3HZ   LYS  41          HZ3       LYS  41 127.868   1.917 -13.481
  303    H    GLU  42           HN       GLU  42 124.981  -1.125  -8.492
  304    HA   GLU  42           HA       GLU  42 127.654  -1.281  -7.349
  305   1HB   GLU  42          HB2       GLU  42 125.125  -0.050  -6.246
  306   2HB   GLU  42          HB1       GLU  42 126.720   0.071  -5.518
  307   1HG   GLU  42          HG2       GLU  42 126.758   2.026  -6.623
  308   2HG   GLU  42          HG1       GLU  42 127.286   1.007  -7.960
  309    H    CYS  43           HN       CYS  43 125.138  -3.376  -7.543
  310    HA   CYS  43           HA       CYS  43 125.387  -4.376  -4.808
  311   1HB   CYS  43          HB2       CYS  43 123.406  -4.725  -7.003
  312   2HB   CYS  43          HB1       CYS  43 123.605  -6.053  -5.864
  313    H    GLY  44           HN       GLY  44 126.695  -6.005  -4.326
  314   1HA   GLY  44          HA2       GLY  44 127.949  -7.922  -4.528
  315   2HA   GLY  44          HA1       GLY  44 127.075  -8.265  -6.013
  316    H    THR  45           HN       THR  45 128.464  -5.201  -6.129
  317    HA   THR  45           HA       THR  45 130.297  -5.980  -8.162
  318    HB   THR  45           HB       THR  45 130.693  -3.323  -6.999
  319    HG1  THR  45           HG1      THR  45 128.695  -2.850  -6.727
  320   1HG2  THR  45          HG21      THR  45 130.899  -2.650  -9.125
  321   2HG2  THR  45          HG22      THR  45 129.530  -3.615  -9.677
  322   3HG2  THR  45          HG23      THR  45 131.102  -4.374  -9.436
  323    H    ASN  46           HN       ASN  46 132.002  -7.190  -7.526
  324    HA   ASN  46           HA       ASN  46 133.414  -6.708  -5.077
  325   1HB   ASN  46          HB2       ASN  46 133.328  -8.964  -5.908
  326   2HB   ASN  46          HB1       ASN  46 133.990  -8.472  -7.462
  327   1HD2  ASN  46          HD21      ASN  46 134.827  -8.208  -4.020
  328   2HD2  ASN  46          HD22      ASN  46 136.489  -8.634  -4.217
  329    H    GLU  47           HN       GLU  47 133.622  -4.358  -5.757
  330    HA   GLU  47           HA       GLU  47 135.644  -3.734  -7.709
  331   1HB   GLU  47          HB2       GLU  47 134.365  -1.902  -5.679
  332   2HB   GLU  47          HB1       GLU  47 135.202  -1.430  -7.150
  333   1HG   GLU  47          HG2       GLU  47 133.428  -1.875  -8.469
  334   2HG   GLU  47          HG1       GLU  47 132.899  -3.239  -7.485
  335    H    CYS  48           HN       CYS  48 135.523  -4.189  -4.257
  336    HA   CYS  48           HA       CYS  48 137.776  -2.763  -3.477
  337   1HB   CYS  48          HB2       CYS  48 136.520  -5.259  -2.412
  338   2HB   CYS  48          HB1       CYS  48 137.921  -4.526  -1.647
  339    H    LEU  49           HN       LEU  49 137.705  -6.276  -3.580
  340    HA   LEU  49           HA       LEU  49 140.473  -6.647  -3.759
  341   1HB   LEU  49          HB2       LEU  49 138.369  -8.504  -4.867
  342   2HB   LEU  49          HB1       LEU  49 139.996  -8.931  -4.379
  343    HG   LEU  49           HG       LEU  49 137.821  -7.974  -2.518
  344   1HD1  LEU  49          HD11      LEU  49 138.987 -10.713  -2.461
  345   2HD1  LEU  49          HD12      LEU  49 137.739 -10.338  -3.650
  346   3HD1  LEU  49          HD13      LEU  49 137.403 -10.148  -1.929
  347   1HD2  LEU  49          HD21      LEU  49 140.464  -9.193  -1.774
  348   2HD2  LEU  49          HD22      LEU  49 139.310  -8.349  -0.741
  349   3HD2  LEU  49          HD23      LEU  49 140.243  -7.450  -1.938
  350    H    ASP  50           HN       ASP  50 138.320  -5.462  -6.040
  351    HA   ASP  50           HA       ASP  50 139.208  -6.446  -8.425
  352   1HB   ASP  50          HB2       ASP  50 137.228  -4.885  -7.835
  353   2HB   ASP  50          HB1       ASP  50 138.382  -3.594  -8.159
  354    H    ASN  51           HN       ASN  51 141.034  -4.488  -6.307
  355    HA   ASN  51           HA       ASN  51 142.908  -3.944  -8.494
  356   1HB   ASN  51          HB2       ASN  51 143.330  -1.662  -7.522
  357   2HB   ASN  51          HB1       ASN  51 141.736  -1.864  -8.226
  358   1HD2  ASN  51          HD21      ASN  51 143.125  -0.322  -5.876
  359   2HD2  ASN  51          HD22      ASN  51 141.926  -0.419  -4.637
  360    H    ASN  52           HN       ASN  52 143.976  -2.261  -5.890
  361    HA   ASN  52           HA       ASN  52 145.970  -4.233  -5.198
  362   1HB   ASN  52          HB2       ASN  52 146.885  -2.362  -3.833
  363   2HB   ASN  52          HB1       ASN  52 146.586  -1.874  -5.497
  364   1HD2  ASN  52          HD21      ASN  52 145.135  -1.862  -2.282
  365   2HD2  ASN  52          HD22      ASN  52 144.203  -0.433  -2.516
  366    H    GLY  53           HN       GLY  53 143.251  -2.570  -3.813
  367   1HA   GLY  53          HA2       GLY  53 142.703  -4.557  -1.859
  368   2HA   GLY  53          HA1       GLY  53 143.487  -3.169  -1.137
  369    H    GLY  54           HN       GLY  54 141.452  -2.777  -3.941
  370   1HA   GLY  54          HA2       GLY  54 139.335  -1.943  -4.214
  371   2HA   GLY  54          HA1       GLY  54 139.091  -2.094  -2.486
  372    H    CYS  55           HN       CYS  55 141.265  -0.663  -1.651
  373    HA   CYS  55           HA       CYS  55 140.849   2.049  -2.634
  374   1HB   CYS  55          HB2       CYS  55 140.386   0.926   0.105
  375   2HB   CYS  55          HB1       CYS  55 140.931   2.583  -0.063
  376    H    SER  56           HN       SER  56 142.639  -0.029  -0.359
  377    HA   SER  56           HA       SER  56 145.098   0.734  -1.480
  378   1HB   SER  56          HB2       SER  56 144.208   2.070   1.007
  379   2HB   SER  56          HB1       SER  56 145.878   1.510   0.967
  380    HG   SER  56           HG       SER  56 146.236   3.273  -0.107
  381    H    HIS  57           HN       HIS  57 143.924  -0.352   1.698
  382    HA   HIS  57           HA       HIS  57 145.744  -2.651   1.463
  383   1HB   HIS  57          HB2       HIS  57 144.479  -1.489   3.952
  384   2HB   HIS  57          HB1       HIS  57 145.702  -2.755   3.890
  385    HD1  HIS  57           HD1      HIS  57 146.530  -0.409   5.498
  386    HD2  HIS  57           HD2      HIS  57 147.001  -0.521   1.373
  387    HE1  HIS  57           HE1      HIS  57 148.303   1.302   4.981
  388    HE2  HIS  57           HE2      HIS  57 148.657   1.133   2.490
  389    H    VAL  58           HN       VAL  58 142.766  -2.067   3.305
  390    HA   VAL  58           HA       VAL  58 141.631  -4.459   2.044
  391    HB   VAL  58           HB       VAL  58 140.430  -4.604   4.448
  392   1HG1  VAL  58          HG11      VAL  58 141.624  -6.550   4.780
  393   2HG1  VAL  58          HG12      VAL  58 143.130  -5.853   4.179
  394   3HG1  VAL  58          HG13      VAL  58 141.840  -6.275   3.051
  395   1HG2  VAL  58          HG21      VAL  58 141.695  -2.774   5.431
  396   2HG2  VAL  58          HG22      VAL  58 143.211  -3.589   5.040
  397   3HG2  VAL  58          HG23      VAL  58 142.107  -4.297   6.219
  398    H    CYS  59           HN       CYS  59 139.918  -3.883   0.958
  399    HA   CYS  59           HA       CYS  59 138.289  -1.647   1.944
  400   1HB   CYS  59          HB2       CYS  59 139.061  -0.939  -0.102
  401   2HB   CYS  59          HB1       CYS  59 139.100  -2.542  -0.794
  402    H    ASN  60           HN       ASN  60 136.230  -1.967   2.451
  403    HA   ASN  60           HA       ASN  60 135.156  -4.674   2.208
  404   1HB   ASN  60          HB2       ASN  60 134.939  -2.546   4.144
  405   2HB   ASN  60          HB1       ASN  60 133.334  -3.044   3.616
  406   1HD2  ASN  60          HD21      ASN  60 133.294  -3.656   5.945
  407   2HD2  ASN  60          HD22      ASN  60 133.823  -5.249   6.354
  408    H    ASP  61           HN       ASP  61 134.082  -5.060   0.371
  409    HA   ASP  61           HA       ASP  61 132.639  -2.914  -0.947
  410   1HB   ASP  61          HB2       ASP  61 134.075  -5.033  -1.913
  411   2HB   ASP  61          HB1       ASP  61 132.420  -5.600  -2.104
  412    H    LEU  62           HN       LEU  62 130.692  -2.464  -0.280
  413    HA   LEU  62           HA       LEU  62 128.937  -4.623   0.652
  414   1HB   LEU  62          HB2       LEU  62 128.725  -1.632   0.955
  415   2HB   LEU  62          HB1       LEU  62 127.472  -2.742   1.452
  416    HG   LEU  62           HG       LEU  62 130.247  -2.479   2.595
  417   1HD1  LEU  62          HD11      LEU  62 128.865  -0.885   3.585
  418   2HD1  LEU  62          HD12      LEU  62 128.813  -2.245   4.706
  419   3HD1  LEU  62          HD13      LEU  62 127.470  -1.964   3.599
  420   1HD2  LEU  62          HD21      LEU  62 128.177  -4.608   3.114
  421   2HD2  LEU  62          HD22      LEU  62 129.597  -4.323   4.119
  422   3HD2  LEU  62          HD23      LEU  62 129.792  -4.837   2.444
  423    H    LYS  63           HN       LYS  63 126.724  -4.699  -0.050
  424    HA   LYS  63           HA       LYS  63 126.440  -4.703  -2.820
  425   1HB   LYS  63          HB2       LYS  63 124.676  -5.113  -0.494
  426   2HB   LYS  63          HB1       LYS  63 123.857  -4.638  -1.975
  427   1HG   LYS  63          HG2       LYS  63 124.470  -6.563  -3.090
  428   2HG   LYS  63          HG1       LYS  63 125.846  -6.862  -2.026
  429   1HD   LYS  63          HD2       LYS  63 124.587  -7.930  -0.482
  430   2HD   LYS  63          HD1       LYS  63 123.198  -6.870  -0.729
  431   1HE   LYS  63          HE2       LYS  63 122.915  -8.070  -2.969
  432   2HE   LYS  63          HE1       LYS  63 124.034  -9.272  -2.327
  433   1HZ   LYS  63          HZ1       LYS  63 121.737  -9.910  -1.952
  434   2HZ   LYS  63          HZ2       LYS  63 121.450  -8.482  -1.093
  435   3HZ   LYS  63          HZ3       LYS  63 122.522  -9.637  -0.479
  436    H    ILE  64           HN       ILE  64 126.062  -2.106  -0.585
  437    HA   ILE  64           HA       ILE  64 124.834  -0.483  -2.712
  438    HB   ILE  64           HB       ILE  64 123.395  -0.832  -0.701
  439   1HG1  ILE  64          HG12      ILE  64 123.492   1.943  -0.367
  440   2HG1  ILE  64          HG11      ILE  64 124.109   1.664  -1.994
  441   1HG2  ILE  64          HG21      ILE  64 123.945  -0.129   1.402
  442   2HG2  ILE  64          HG22      ILE  64 125.085   1.084   0.820
  443   3HG2  ILE  64          HG23      ILE  64 125.532  -0.621   0.812
  444   1HD1  ILE  64          HD11      ILE  64 121.633   2.045  -1.792
  445   2HD1  ILE  64          HD12      ILE  64 121.540   0.471  -1.000
  446   3HD1  ILE  64          HD13      ILE  64 122.120   0.590  -2.662
  447    H    GLY  65           HN       GLY  65 127.715  -0.965  -2.228
  448   1HA   GLY  65          HA2       GLY  65 129.121   1.001  -2.965
  449   2HA   GLY  65          HA1       GLY  65 128.536   1.777  -1.505
  450    H    TYR  66           HN       TYR  66 131.245   0.798  -2.557
  451    HA   TYR  66           HA       TYR  66 131.997  -0.992  -0.379
  452   1HB   TYR  66          HB2       TYR  66 134.031  -1.397  -1.574
  453   2HB   TYR  66          HB1       TYR  66 132.715  -1.467  -2.739
  454    HD1  TYR  66           HD1      TYR  66 135.259   0.908  -1.381
  455    HD2  TYR  66           HD2      TYR  66 132.892  -0.265  -4.716
  456    HE1  TYR  66           HE1      TYR  66 136.421   2.562  -2.780
  457    HE2  TYR  66           HE2      TYR  66 134.046   1.387  -6.124
  458    HH   TYR  66           HH       TYR  66 135.304   3.532  -5.792
  459    H    GLU  67           HN       GLU  67 133.461  -0.479   1.202
  460    HA   GLU  67           HA       GLU  67 134.327   2.336   1.307
  461   1HB   GLU  67          HB2       GLU  67 134.334   1.314   3.936
  462   2HB   GLU  67          HB1       GLU  67 133.289   2.553   3.265
  463   1HG   GLU  67          HG2       GLU  67 132.711  -0.400   3.172
  464   2HG   GLU  67          HG1       GLU  67 132.087   0.705   4.396
  465    H    CYS  68           HN       CYS  68 136.295   2.707   2.597
  466    HA   CYS  68           HA       CYS  68 138.211   0.558   2.078
  467   1HB   CYS  68          HB2       CYS  68 139.043   3.279   2.993
  468   2HB   CYS  68          HB1       CYS  68 139.866   2.166   1.907
  469    H    LEU  69           HN       LEU  69 139.416  -0.393   3.629
  470    HA   LEU  69           HA       LEU  69 138.901   0.420   6.412
  471   1HB   LEU  69          HB2       LEU  69 139.609  -2.377   5.573
  472   2HB   LEU  69          HB1       LEU  69 138.952  -1.839   7.101
  473    HG   LEU  69           HG       LEU  69 137.510  -2.104   4.472
  474   1HD1  LEU  69          HD11      LEU  69 137.599  -3.553   7.043
  475   2HD1  LEU  69          HD12      LEU  69 137.329  -4.155   5.407
  476   3HD1  LEU  69          HD13      LEU  69 136.015  -3.373   6.287
  477   1HD2  LEU  69          HD21      LEU  69 137.000   0.012   5.956
  478   2HD2  LEU  69          HD22      LEU  69 136.128  -1.162   6.939
  479   3HD2  LEU  69          HD23      LEU  69 135.693  -0.933   5.245
  480    H    CYS  70           HN       CYS  70 140.630   0.254   7.883
  481    HA   CYS  70           HA       CYS  70 143.268  -0.419   6.869
  482   1HB   CYS  70          HB2       CYS  70 142.992   2.270   8.166
  483   2HB   CYS  70          HB1       CYS  70 144.275   1.669   7.126
  484    HA   PRO  71           HA       PRO  71 144.144  -1.867  10.931
  485   1HB   PRO  71          HB2       PRO  71 146.519  -0.066  10.972
  486   2HB   PRO  71          HB1       PRO  71 146.420  -1.804  11.274
  487   1HG   PRO  71          HG2       PRO  71 147.398  -0.879   8.976
  488   2HG   PRO  71          HG1       PRO  71 146.377  -2.329   9.014
  489   1HD   PRO  71          HD2       PRO  71 145.701   0.447   8.152
  490   2HD   PRO  71          HD1       PRO  71 145.137  -1.107   7.504
  491    H    ASP  72           HN       ASP  72 144.212  -1.219  13.171
  492    HA   ASP  72           HA       ASP  72 142.615   1.004  13.759
  493   1HB   ASP  72          HB2       ASP  72 143.148  -1.150  15.150
  494   2HB   ASP  72          HB1       ASP  72 144.453  -0.172  15.815
  495    H    GLY  73           HN       GLY  73 143.089   2.958  14.848
  496   1HA   GLY  73          HA2       GLY  73 144.262   4.881  15.239
  497   2HA   GLY  73          HA1       GLY  73 145.652   3.852  15.527
  498    H    PHE  74           HN       PHE  74 144.301   3.503  12.393
  499    HA   PHE  74           HA       PHE  74 146.545   5.068  11.319
  500   1HB   PHE  74          HB2       PHE  74 144.982   2.759  10.215
  501   2HB   PHE  74          HB1       PHE  74 145.913   3.797   9.156
  502    HD1  PHE  74           HD1      PHE  74 146.995   2.933  12.569
  503    HD2  PHE  74           HD2      PHE  74 147.415   2.112   8.415
  504    HE1  PHE  74           HE1      PHE  74 149.017   1.618  13.038
  505    HE2  PHE  74           HE2      PHE  74 149.440   0.795   8.877
  506    HZ   PHE  74           HZ       PHE  74 150.243   0.546  11.192
  507    H    GLN  75           HN       GLN  75 146.270   6.661   9.878
  508    HA   GLN  75           HA       GLN  75 143.550   7.680   9.548
  509   1HB   GLN  75          HB2       GLN  75 146.264   8.898   9.552
  510   2HB   GLN  75          HB1       GLN  75 145.032   9.672   8.565
  511   1HG   GLN  75          HG2       GLN  75 145.196  10.664  10.791
  512   2HG   GLN  75          HG1       GLN  75 143.609   9.955  10.495
  513   1HE2  GLN  75          HE21      GLN  75 142.820   8.847  12.121
  514   2HE2  GLN  75          HE22      GLN  75 143.728   8.013  13.330
  515    H    LEU  76           HN       LEU  76 142.523   7.148   7.756
  516    HA   LEU  76           HA       LEU  76 143.907   6.254   5.398
  517   1HB   LEU  76          HB2       LEU  76 141.908   5.107   5.965
  518   2HB   LEU  76          HB1       LEU  76 141.013   6.599   6.144
  519    HG   LEU  76           HG       LEU  76 141.720   6.719   3.502
  520   1HD1  LEU  76          HD11      LEU  76 140.924   3.862   3.916
  521   2HD1  LEU  76          HD12      LEU  76 142.621   4.336   3.857
  522   3HD1  LEU  76          HD13      LEU  76 141.572   4.639   2.472
  523   1HD2  LEU  76          HD21      LEU  76 139.252   5.225   4.188
  524   2HD2  LEU  76          HD22      LEU  76 139.479   6.614   3.127
  525   3HD2  LEU  76          HD23      LEU  76 139.456   6.836   4.877
  526    H    VAL  77           HN       VAL  77 144.849   7.763   4.095
  527    HA   VAL  77           HA       VAL  77 143.757  10.406   3.872
  528    HB   VAL  77           HB       VAL  77 145.928   9.217   2.157
  529   1HG1  VAL  77          HG11      VAL  77 145.935  12.048   2.998
  530   2HG1  VAL  77          HG12      VAL  77 144.683  11.569   1.853
  531   3HG1  VAL  77          HG13      VAL  77 146.383  11.319   1.456
  532   1HG2  VAL  77          HG21      VAL  77 146.270  10.629   4.800
  533   2HG2  VAL  77          HG22      VAL  77 147.552  10.006   3.762
  534   3HG2  VAL  77          HG23      VAL  77 146.439   8.890   4.555
  535    H    ALA  78           HN       ALA  78 142.427  11.183   2.312
  536    HA   ALA  78           HA       ALA  78 141.022  11.190   0.514
  537   1HB   ALA  78          HB1       ALA  78 142.580   9.012  -0.816
  538   2HB   ALA  78          HB2       ALA  78 143.316  10.602  -0.616
  539   3HB   ALA  78          HB3       ALA  78 141.813  10.434  -1.522
  540    H    GLN  79           HN       GLN  79 139.643   9.459  -0.879
  541    HA   GLN  79           HA       GLN  79 138.567   7.687   1.142
  542   1HB   GLN  79          HB2       GLN  79 137.635   8.687  -1.519
  543   2HB   GLN  79          HB1       GLN  79 136.899   7.242  -0.842
  544   1HG   GLN  79          HG2       GLN  79 136.226   8.467   1.131
  545   2HG   GLN  79          HG1       GLN  79 137.042   9.913   0.538
  546   1HE2  GLN  79          HE21      GLN  79 136.319  10.415  -1.838
  547   2HE2  GLN  79          HE22      GLN  79 134.607  10.454  -2.068
  548    H    ARG  80           HN       ARG  80 141.111   6.862   0.260
  549    HA   ARG  80           HA       ARG  80 140.513   4.179  -0.448
  550   1HB   ARG  80          HB2       ARG  80 141.859   5.896  -2.510
  551   2HB   ARG  80          HB1       ARG  80 142.019   4.155  -2.492
  552   1HG   ARG  80          HG2       ARG  80 139.386   4.257  -2.457
  553   2HG   ARG  80          HG1       ARG  80 139.679   5.836  -3.187
  554   1HD   ARG  80          HD2       ARG  80 141.302   3.714  -4.353
  555   2HD   ARG  80          HD1       ARG  80 139.571   3.426  -4.517
  556    HE   ARG  80           HE       ARG  80 139.855   6.005  -5.297
  557   1HH1  ARG  80          HH11      ARG  80 141.409   3.027  -6.245
  558   2HH1  ARG  80          HH12      ARG  80 141.701   3.551  -7.870
  559   1HH2  ARG  80          HH21      ARG  80 140.237   6.695  -7.434
  560   2HH2  ARG  80          HH22      ARG  80 141.036   5.633  -8.545
  561    H    ARG  81           HN       ARG  81 142.908   6.667   0.158
  562    HA   ARG  81           HA       ARG  81 145.044   4.770   0.492
  563   1HB   ARG  81          HB2       ARG  81 145.021   7.359  -0.196
  564   2HB   ARG  81          HB1       ARG  81 145.393   7.497   1.517
  565   1HG   ARG  81          HG2       ARG  81 147.513   7.255   0.849
  566   2HG   ARG  81          HG1       ARG  81 147.111   5.539   0.767
  567   1HD   ARG  81          HD2       ARG  81 148.035   5.901  -1.313
  568   2HD   ARG  81          HD1       ARG  81 146.316   6.121  -1.643
  569    HE   ARG  81           HE       ARG  81 147.685   8.556  -0.968
  570   1HH1  ARG  81          HH11      ARG  81 146.853   6.366  -3.553
  571   2HH1  ARG  81          HH12      ARG  81 147.001   7.569  -4.789
  572   1HH2  ARG  81          HH21      ARG  81 147.880  10.141  -2.591
  573   2HH2  ARG  81          HH22      ARG  81 147.585   9.713  -4.244
  574    H    CYS  82           HN       CYS  82 145.757   3.820   2.243
  575    HA   CYS  82           HA       CYS  82 144.491   4.483   4.809
  576   1HB   CYS  82          HB2       CYS  82 145.794   1.972   3.774
  577   2HB   CYS  82          HB1       CYS  82 145.474   2.210   5.486
  578    H    GLU  83           HN       GLU  83 145.690   5.730   6.111
  579    HA   GLU  83           HA       GLU  83 148.585   5.247   6.210
  580   1HB   GLU  83          HB2       GLU  83 147.703   7.380   4.899
  581   2HB   GLU  83          HB1       GLU  83 147.612   8.047   6.523
  582   1HG   GLU  83          HG2       GLU  83 149.711   8.683   5.765
  583   2HG   GLU  83          HG1       GLU  83 150.033   7.280   6.782
  Start of MODEL    6
    1   1H    GLY   1           HT1      GLY   1  99.487  10.185   9.328
    2   2H    GLY   1           HT2      GLY   1  98.556   9.736   7.988
    3   3H    GLY   1           HT3      GLY   1  98.767  11.373   8.360
    4   1HA   GLY   1          HA1       GLY   1 100.742   9.468   7.266
    5   2HA   GLY   1          HA2       GLY   1 100.206  10.991   6.573
    6    H    ASN   2           HN       ASN   2 101.452  10.008   9.767
    7    HA   ASN   2           HA       ASN   2 102.888  12.424  10.137
    8   1HB   ASN   2          HB2       ASN   2 103.129   9.751  11.533
    9   2HB   ASN   2          HB1       ASN   2 103.928  11.228  12.064
   10   1HD2  ASN   2          HD21      ASN   2 102.931  11.711  13.904
   11   2HD2  ASN   2          HD22      ASN   2 101.227  11.922  14.090
   12    H    VAL   3           HN       VAL   3 104.855  13.013   9.487
   13    HA   VAL   3           HA       VAL   3 106.644  10.935   8.405
   14    HB   VAL   3           HB       VAL   3 105.717  12.312   6.599
   15   1HG1  VAL   3          HG11      VAL   3 105.509  14.353   8.164
   16   2HG1  VAL   3          HG12      VAL   3 105.899  14.622   6.464
   17   3HG1  VAL   3          HG13      VAL   3 107.172  14.692   7.684
   18   1HG2  VAL   3          HG21      VAL   3 107.700  11.715   5.751
   19   2HG2  VAL   3          HG22      VAL   3 108.565  12.127   7.231
   20   3HG2  VAL   3          HG23      VAL   3 108.175  13.385   6.057
   21    H    THR   4           HN       THR   4 108.210  10.676   9.866
   22    HA   THR   4           HA       THR   4 109.326  13.052  11.187
   23    HB   THR   4           HB       THR   4 110.353  11.374  12.757
   24    HG1  THR   4           HG1      THR   4 109.592   9.272  12.670
   25   1HG2  THR   4          HG21      THR   4 108.443  11.015  14.061
   26   2HG2  THR   4          HG22      THR   4 107.380  11.010  12.653
   27   3HG2  THR   4          HG23      THR   4 108.135  12.513  13.184
   28    H    LEU   5           HN       LEU   5 111.548  13.426  11.221
   29    HA   LEU   5           HA       LEU   5 112.953  12.557   8.881
   30   1HB   LEU   5          HB2       LEU   5 113.494  14.431  11.132
   31   2HB   LEU   5          HB1       LEU   5 114.858  13.855  10.193
   32    HG   LEU   5           HG       LEU   5 113.981  16.043   9.424
   33   1HD1  LEU   5          HD11      LEU   5 113.859  15.439   7.026
   34   2HD1  LEU   5          HD12      LEU   5 113.766  13.741   7.491
   35   3HD1  LEU   5          HD13      LEU   5 115.209  14.682   7.870
   36   1HD2  LEU   5          HD21      LEU   5 111.663  15.891   9.828
   37   2HD2  LEU   5          HD22      LEU   5 111.518  14.400   8.897
   38   3HD2  LEU   5          HD23      LEU   5 111.839  15.925   8.073
   39    H    CYS   6           HN       CYS   6 113.653  10.505   8.839
   40    HA   CYS   6           HA       CYS   6 114.388   8.961  11.056
   41   1HB   CYS   6          HB2       CYS   6 115.425   8.570   8.247
   42   2HB   CYS   6          HB1       CYS   6 115.202   7.344   9.490
   43    H    GLU   7           HN       GLU   7 116.054   9.220  12.375
   44    HA   GLU   7           HA       GLU   7 118.601  10.188  11.250
   45   1HB   GLU   7          HB2       GLU   7 117.147  11.700  12.890
   46   2HB   GLU   7          HB1       GLU   7 117.954  10.722  14.109
   47   1HG   GLU   7          HG2       GLU   7 119.960  11.680  13.748
   48   2HG   GLU   7          HG1       GLU   7 119.683  11.867  12.017
   49    H    GLY   8           HN       GLY   8 120.496   9.284  12.058
   50   1HA   GLY   8          HA2       GLY   8 121.753   7.875  13.487
   51   2HA   GLY   8          HA1       GLY   8 120.254   7.152  14.051
   52    HA   PRO   9           HA       PRO   9 122.417   4.639  10.579
   53   1HB   PRO   9          HB2       PRO   9 123.463   2.646  12.118
   54   2HB   PRO   9          HB1       PRO   9 124.367   4.092  11.652
   55   1HG   PRO   9          HG2       PRO   9 122.950   3.487  14.218
   56   2HG   PRO   9          HG1       PRO   9 124.536   4.240  13.964
   57   1HD   PRO   9          HD2       PRO   9 122.331   5.688  14.538
   58   2HD   PRO   9          HD1       PRO   9 123.618   6.304  13.481
   59    H    ASN  10           HN       ASN  10 121.518   2.803   9.729
   60    HA   ASN  10           HA       ASN  10 120.347   0.755   9.797
   61   1HB   ASN  10          HB2       ASN  10 118.992   0.054  11.517
   62   2HB   ASN  10          HB1       ASN  10 120.064   1.132  12.399
   63   1HD2  ASN  10          HD21      ASN  10 116.948   1.034  10.726
   64   2HD2  ASN  10          HD22      ASN  10 116.156   2.170  11.759
   65    H    LYS  11           HN       LYS  11 119.421   3.992   9.594
   66    HA   LYS  11           HA       LYS  11 116.815   3.471   8.434
   67   1HB   LYS  11          HB2       LYS  11 116.634   5.876   8.213
   68   2HB   LYS  11          HB1       LYS  11 117.213   5.483   9.824
   69   1HG   LYS  11          HG2       LYS  11 119.497   6.024   9.134
   70   2HG   LYS  11          HG1       LYS  11 118.907   6.431   7.522
   71   1HD   LYS  11          HD2       LYS  11 117.288   7.985   8.990
   72   2HD   LYS  11          HD1       LYS  11 118.687   7.929  10.064
   73   1HE   LYS  11          HE2       LYS  11 119.853   8.374   7.635
   74   2HE   LYS  11          HE1       LYS  11 118.341   9.267   7.480
   75   1HZ   LYS  11          HZ1       LYS  11 120.303  10.513   8.427
   76   2HZ   LYS  11          HZ2       LYS  11 120.120   9.579   9.825
   77   3HZ   LYS  11          HZ3       LYS  11 118.868  10.598   9.319
   78    H    PHE  12           HN       PHE  12 116.295   4.444   6.282
   79    HA   PHE  12           HA       PHE  12 118.438   4.758   4.393
   80   1HB   PHE  12          HB2       PHE  12 118.196   2.256   4.656
   81   2HB   PHE  12          HB1       PHE  12 116.574   2.414   3.989
   82    HD1  PHE  12           HD1      PHE  12 120.098   2.249   3.267
   83    HD2  PHE  12           HD2      PHE  12 116.286   3.246   1.658
   84    HE1  PHE  12           HE1      PHE  12 121.027   2.112   0.992
   85    HE2  PHE  12           HE2      PHE  12 117.208   3.110  -0.620
   86    HZ   PHE  12           HZ       PHE  12 119.580   2.544  -0.954
   87    H    LYS  13           HN       LYS  13 117.793   5.835   2.567
   88    HA   LYS  13           HA       LYS  13 114.912   6.419   2.347
   89   1HB   LYS  13          HB2       LYS  13 115.711   8.632   1.336
   90   2HB   LYS  13          HB1       LYS  13 115.870   8.437   3.077
   91   1HG   LYS  13          HG2       LYS  13 118.237   7.871   2.788
   92   2HG   LYS  13          HG1       LYS  13 118.069   8.104   1.046
   93   1HD   LYS  13          HD2       LYS  13 117.557  10.220   3.136
   94   2HD   LYS  13          HD1       LYS  13 119.038  10.070   2.190
   95   1HE   LYS  13          HE2       LYS  13 117.588  10.255   0.129
   96   2HE   LYS  13          HE1       LYS  13 116.266  10.706   1.205
   97   1HZ   LYS  13          HZ1       LYS  13 118.624  12.223   0.421
   98   2HZ   LYS  13          HZ2       LYS  13 118.123  12.398   2.027
   99   3HZ   LYS  13          HZ3       LYS  13 117.056  12.758   0.765
  100    H    CYS  14           HN       CYS  14 114.077   5.564   0.570
  101    HA   CYS  14           HA       CYS  14 115.710   4.698  -1.618
  102   1HB   CYS  14          HB2       CYS  14 113.011   4.278  -0.697
  103   2HB   CYS  14          HB1       CYS  14 113.007   4.653  -2.417
  104    H    HIS  15           HN       HIS  15 115.028   5.263  -3.915
  105    HA   HIS  15           HA       HIS  15 115.517   7.976  -4.388
  106   1HB   HIS  15          HB2       HIS  15 115.157   5.606  -5.949
  107   2HB   HIS  15          HB1       HIS  15 114.194   6.896  -6.661
  108    HD1  HIS  15           HD1      HIS  15 116.336   9.151  -5.780
  109    HD2  HIS  15           HD2      HIS  15 117.056   5.710  -7.995
  110    HE1  HIS  15           HE1      HIS  15 118.423   9.627  -7.100
  111    HE2  HIS  15           HE2      HIS  15 118.887   7.499  -8.368
  112    H    SER  16           HN       SER  16 112.541   6.211  -3.971
  113    HA   SER  16           HA       SER  16 110.839   8.267  -5.009
  114   1HB   SER  16          HB2       SER  16 109.055   6.885  -3.742
  115   2HB   SER  16          HB1       SER  16 109.888   6.126  -5.099
  116    HG   SER  16           HG       SER  16 109.972   5.525  -2.413
  117    H    GLY  17           HN       GLY  17 112.648   8.071  -2.207
  118   1HA   GLY  17          HA2       GLY  17 112.754   9.672  -0.517
  119   2HA   GLY  17          HA1       GLY  17 111.204  10.304  -1.051
  120    H    GLU  18           HN       GLU  18 111.643   6.908  -0.412
  121    HA   GLU  18           HA       GLU  18 109.830   7.169   1.884
  122   1HB   GLU  18          HB2       GLU  18 110.456   4.826   0.083
  123   2HB   GLU  18          HB1       GLU  18 109.458   4.703   1.526
  124   1HG   GLU  18          HG2       GLU  18 107.922   6.378   0.551
  125   2HG   GLU  18          HG1       GLU  18 108.889   6.355  -0.923
  126    H    CYS  19           HN       CYS  19 110.454   6.617   3.885
  127    HA   CYS  19           HA       CYS  19 113.224   5.916   4.314
  128   1HB   CYS  19          HB2       CYS  19 111.188   7.258   5.794
  129   2HB   CYS  19          HB1       CYS  19 111.761   5.902   6.761
  130    H    ILE  20           HN       ILE  20 114.005   3.941   4.728
  131    HA   ILE  20           HA       ILE  20 112.301   1.879   5.850
  132    HB   ILE  20           HB       ILE  20 113.236   0.255   4.107
  133   1HG1  ILE  20          HG12      ILE  20 113.657   2.861   2.624
  134   2HG1  ILE  20          HG11      ILE  20 114.916   1.740   3.133
  135   1HG2  ILE  20          HG21      ILE  20 110.885   0.904   4.212
  136   2HG2  ILE  20          HG22      ILE  20 111.415   0.696   2.542
  137   3HG2  ILE  20          HG23      ILE  20 111.225   2.317   3.212
  138   1HD1  ILE  20          HD11      ILE  20 114.721   0.654   1.222
  139   2HD1  ILE  20          HD12      ILE  20 113.464   1.781   0.712
  140   3HD1  ILE  20          HD13      ILE  20 113.029   0.306   1.575
  141    H    THR  21           HN       THR  21 113.843  -0.183   6.096
  142    HA   THR  21           HA       THR  21 116.149   0.864   7.495
  143    HB   THR  21           HB       THR  21 116.096  -0.982   8.763
  144    HG1  THR  21           HG1      THR  21 116.569  -2.761   7.787
  145   1HG2  THR  21          HG21      THR  21 113.962  -1.890   9.162
  146   2HG2  THR  21          HG22      THR  21 113.434  -1.549   7.512
  147   3HG2  THR  21          HG23      THR  21 113.715  -0.223   8.641
  148    H    LEU  22           HN       LEU  22 118.269   0.403   7.086
  149    HA   LEU  22           HA       LEU  22 118.968  -0.012   4.365
  150   1HB   LEU  22          HB2       LEU  22 121.264   0.193   5.119
  151   2HB   LEU  22          HB1       LEU  22 120.258   1.430   5.846
  152    HG   LEU  22           HG       LEU  22 120.122  -0.202   7.864
  153   1HD1  LEU  22          HD11      LEU  22 122.162  -1.445   6.144
  154   2HD1  LEU  22          HD12      LEU  22 121.138  -2.155   7.391
  155   3HD1  LEU  22          HD13      LEU  22 122.597  -1.274   7.844
  156   1HD2  LEU  22          HD21      LEU  22 122.122   0.801   8.821
  157   2HD2  LEU  22          HD22      LEU  22 121.218   1.989   7.882
  158   3HD2  LEU  22          HD23      LEU  22 122.678   1.262   7.212
  159    H    ASP  23           HN       ASP  23 118.682  -2.129   7.101
  160    HA   ASP  23           HA       ASP  23 120.399  -4.163   6.564
  161   1HB   ASP  23          HB2       ASP  23 117.503  -4.498   7.325
  162   2HB   ASP  23          HB1       ASP  23 118.758  -5.715   7.515
  163    H    LYS  24           HN       LYS  24 116.997  -4.252   5.386
  164    HA   LYS  24           HA       LYS  24 117.463  -6.355   3.663
  165   1HB   LYS  24          HB2       LYS  24 115.292  -5.510   2.582
  166   2HB   LYS  24          HB1       LYS  24 115.239  -6.006   4.264
  167   1HG   LYS  24          HG2       LYS  24 113.965  -3.972   3.891
  168   2HG   LYS  24          HG1       LYS  24 115.335  -3.670   4.958
  169   1HD   LYS  24          HD2       LYS  24 116.520  -2.523   3.304
  170   2HD   LYS  24          HD1       LYS  24 115.545  -3.208   2.003
  171   1HE   LYS  24          HE2       LYS  24 114.439  -1.340   4.088
  172   2HE   LYS  24          HE1       LYS  24 115.101  -0.786   2.551
  173   1HZ   LYS  24          HZ1       LYS  24 113.365  -1.660   1.381
  174   2HZ   LYS  24          HZ2       LYS  24 112.564  -1.272   2.819
  175   3HZ   LYS  24          HZ3       LYS  24 113.036  -2.868   2.520
  176    H    VAL  25           HN       VAL  25 119.164  -3.766   3.314
  177    HA   VAL  25           HA       VAL  25 118.652  -2.671   0.799
  178    HB   VAL  25           HB       VAL  25 121.022  -2.825   2.584
  179   1HG1  VAL  25          HG11      VAL  25 122.277  -1.496   0.754
  180   2HG1  VAL  25          HG12      VAL  25 121.213  -2.366  -0.352
  181   3HG1  VAL  25          HG13      VAL  25 122.287  -3.258   0.726
  182   1HG2  VAL  25          HG21      VAL  25 120.662  -0.615   2.856
  183   2HG2  VAL  25          HG22      VAL  25 119.059  -1.016   2.238
  184   3HG2  VAL  25          HG23      VAL  25 120.285  -0.359   1.153
  185    H    CYS  26           HN       CYS  26 118.822  -3.463  -1.185
  186    HA   CYS  26           HA       CYS  26 119.188  -4.908  -2.904
  187   1HB   CYS  26          HB2       CYS  26 121.461  -4.013  -2.683
  188   2HB   CYS  26          HB1       CYS  26 121.842  -5.251  -1.491
  189    H    ASN  27           HN       ASN  27 117.516  -6.139  -1.405
  190    HA   ASN  27           HA       ASN  27 118.625  -8.818  -0.874
  191   1HB   ASN  27          HB2       ASN  27 116.837  -9.146   0.750
  192   2HB   ASN  27          HB1       ASN  27 117.749  -7.692   1.145
  193   1HD2  ASN  27          HD21      ASN  27 115.213  -8.169   2.127
  194   2HD2  ASN  27          HD22      ASN  27 114.118  -7.016   1.451
  195    H    MET  28           HN       MET  28 117.646 -10.581  -1.744
  196    HA   MET  28           HA       MET  28 116.625 -10.791  -4.138
  197   1HB   MET  28          HB2       MET  28 116.013 -12.325  -1.678
  198   2HB   MET  28          HB1       MET  28 114.980 -12.624  -3.069
  199   1HG   MET  28          HG2       MET  28 116.731 -14.220  -3.116
  200   2HG   MET  28          HG1       MET  28 117.035 -13.060  -4.409
  201   1HE   MET  28          HE1       MET  28 118.911 -12.636  -5.021
  202   2HE   MET  28          HE2       MET  28 120.338 -13.358  -4.280
  203   3HE   MET  28          HE3       MET  28 120.046 -11.626  -4.127
  204    H    ALA  29           HN       ALA  29 114.411 -10.207  -1.389
  205    HA   ALA  29           HA       ALA  29 112.138  -9.855  -3.070
  206   1HB   ALA  29          HB1       ALA  29 112.068 -10.581  -0.675
  207   2HB   ALA  29          HB2       ALA  29 110.952  -9.276  -1.083
  208   3HB   ALA  29          HB3       ALA  29 112.451  -8.919  -0.224
  209    H    ARG  30           HN       ARG  30 111.193  -8.020  -3.838
  210    HA   ARG  30           HA       ARG  30 112.794  -5.773  -4.347
  211   1HB   ARG  30          HB2       ARG  30 110.906  -6.421  -5.772
  212   2HB   ARG  30          HB1       ARG  30 109.784  -6.027  -4.476
  213   1HG   ARG  30          HG2       ARG  30 110.304  -3.709  -4.626
  214   2HG   ARG  30          HG1       ARG  30 111.647  -4.024  -5.726
  215   1HD   ARG  30          HD2       ARG  30 109.830  -3.229  -7.039
  216   2HD   ARG  30          HD1       ARG  30 109.981  -4.959  -7.346
  217    HE   ARG  30           HE       ARG  30 108.139  -4.650  -5.291
  218   1HH1  ARG  30          HH11      ARG  30 108.432  -3.782  -8.659
  219   2HH1  ARG  30          HH12      ARG  30 106.724  -3.821  -8.947
  220   1HH2  ARG  30          HH21      ARG  30 105.893  -4.702  -5.669
  221   2HH2  ARG  30          HH22      ARG  30 105.283  -4.343  -7.249
  222    H    ASP  31           HN       ASP  31 112.934  -3.767  -3.440
  223    HA   ASP  31           HA       ASP  31 111.615  -3.434  -0.828
  224   1HB   ASP  31          HB2       ASP  31 114.337  -2.719  -1.827
  225   2HB   ASP  31          HB1       ASP  31 113.601  -1.698  -0.595
  226    H    CYS  32           HN       CYS  32 112.330  -1.947  -3.908
  227    HA   CYS  32           HA       CYS  32 110.272   0.046  -3.405
  228   1HB   CYS  32          HB2       CYS  32 113.133   0.745  -4.076
  229   2HB   CYS  32          HB1       CYS  32 111.792   1.860  -4.316
  230    H    ARG  33           HN       ARG  33 109.621   1.183  -5.380
  231    HA   ARG  33           HA       ARG  33 109.376  -0.608  -7.564
  232   1HB   ARG  33          HB2       ARG  33 108.508   2.180  -6.981
  233   2HB   ARG  33          HB1       ARG  33 108.509   1.659  -8.660
  234   1HG   ARG  33          HG2       ARG  33 106.338   1.254  -7.865
  235   2HG   ARG  33          HG1       ARG  33 107.130  -0.323  -7.909
  236   1HD   ARG  33          HD2       ARG  33 106.295  -0.488  -5.818
  237   2HD   ARG  33          HD1       ARG  33 107.742   0.430  -5.403
  238    HE   ARG  33           HE       ARG  33 105.784   2.286  -6.007
  239   1HH1  ARG  33          HH11      ARG  33 106.260  -0.253  -3.660
  240   2HH1  ARG  33          HH12      ARG  33 105.308   0.524  -2.441
  241   1HH2  ARG  33          HH21      ARG  33 104.532   3.310  -4.404
  242   2HH2  ARG  33          HH22      ARG  33 104.327   2.547  -2.862
  243    H    ASP  34           HN       ASP  34 111.504   2.070  -6.857
  244    HA   ASP  34           HA       ASP  34 112.574   2.135  -9.554
  245   1HB   ASP  34          HB2       ASP  34 113.592   3.603  -7.118
  246   2HB   ASP  34          HB1       ASP  34 113.916   3.981  -8.807
  247    H    TRP  35           HN       TRP  35 113.252   0.602  -6.545
  248    HA   TRP  35           HA       TRP  35 114.842  -0.881  -5.892
  249   1HB   TRP  35          HB2       TRP  35 115.385  -0.941  -8.862
  250   2HB   TRP  35          HB1       TRP  35 116.196  -1.995  -7.708
  251    HD1  TRP  35           HD1      TRP  35 112.503  -1.139  -8.578
  252    HE1  TRP  35           HE1      TRP  35 111.155  -3.331  -8.513
  253    HE3  TRP  35           HE3      TRP  35 116.236  -4.346  -7.203
  254    HZ2  TRP  35           HZ2      TRP  35 111.614  -6.059  -7.949
  255    HZ3  TRP  35           HZ3      TRP  35 115.700  -6.730  -6.920
  256    HH2  TRP  35           HH2      TRP  35 113.436  -7.568  -7.286
  257    H    SER  36           HN       SER  36 115.397   2.046  -6.138
  258    HA   SER  36           HA       SER  36 118.064   2.482  -6.901
  259   1HB   SER  36          HB2       SER  36 116.595   4.366  -6.591
  260   2HB   SER  36          HB1       SER  36 116.312   3.930  -4.905
  261    HG   SER  36           HG       SER  36 117.860   5.389  -4.692
  262    H    ASP  37           HN       ASP  37 116.665   1.088  -4.053
  263    HA   ASP  37           HA       ASP  37 119.036   1.353  -2.443
  264   1HB   ASP  37          HB2       ASP  37 117.820  -0.007  -0.805
  265   2HB   ASP  37          HB1       ASP  37 116.813   1.309  -1.399
  266    H    GLU  38           HN       GLU  38 117.719  -0.971  -4.664
  267    HA   GLU  38           HA       GLU  38 119.810  -2.898  -3.905
  268   1HB   GLU  38          HB2       GLU  38 117.457  -3.467  -5.699
  269   2HB   GLU  38          HB1       GLU  38 118.491  -4.620  -4.866
  270   1HG   GLU  38          HG2       GLU  38 117.567  -3.435  -2.724
  271   2HG   GLU  38          HG1       GLU  38 116.259  -2.963  -3.808
  272    HA   PRO  39           HA       PRO  39 121.111  -1.017  -8.005
  273   1HB   PRO  39          HB2       PRO  39 123.666  -0.481  -7.276
  274   2HB   PRO  39          HB1       PRO  39 122.338   0.654  -7.002
  275   1HG   PRO  39          HG2       PRO  39 123.598  -1.283  -5.092
  276   2HG   PRO  39          HG1       PRO  39 123.150   0.413  -4.829
  277   1HD   PRO  39          HD2       PRO  39 121.603  -1.625  -3.976
  278   2HD   PRO  39          HD1       PRO  39 120.916  -0.089  -4.544
  279    H    ILE  40           HN       ILE  40 121.064  -2.980  -9.060
  280    HA   ILE  40           HA       ILE  40 122.414  -5.302  -8.449
  281    HB   ILE  40           HB       ILE  40 121.867  -4.285 -11.241
  282   1HG1  ILE  40          HG12      ILE  40 120.131  -5.924  -9.379
  283   2HG1  ILE  40          HG11      ILE  40 119.847  -4.249  -9.842
  284   1HG2  ILE  40          HG21      ILE  40 123.017  -6.133 -11.783
  285   2HG2  ILE  40          HG22      ILE  40 121.549  -6.986 -11.307
  286   3HG2  ILE  40          HG23      ILE  40 122.880  -6.815 -10.163
  287   1HD1  ILE  40          HD11      ILE  40 120.112  -6.062 -12.110
  288   2HD1  ILE  40          HD12      ILE  40 118.896  -4.830 -11.771
  289   3HD1  ILE  40          HD13      ILE  40 118.754  -6.432 -11.046
  290    H    LYS  41           HN       LYS  41 123.577  -2.561 -10.390
  291    HA   LYS  41           HA       LYS  41 126.024  -3.726 -11.154
  292   1HB   LYS  41          HB2       LYS  41 124.761  -1.504 -11.902
  293   2HB   LYS  41          HB1       LYS  41 125.861  -0.783 -10.736
  294   1HG   LYS  41          HG2       LYS  41 127.753  -1.830 -11.953
  295   2HG   LYS  41          HG1       LYS  41 126.603  -2.388 -13.170
  296   1HD   LYS  41          HD2       LYS  41 127.030   0.498 -12.402
  297   2HD   LYS  41          HD1       LYS  41 127.764  -0.289 -13.802
  298   1HE   LYS  41          HE2       LYS  41 125.947   0.534 -14.860
  299   2HE   LYS  41          HE1       LYS  41 125.188  -0.923 -14.220
  300   1HZ   LYS  41          HZ1       LYS  41 124.067   1.363 -13.867
  301   2HZ   LYS  41          HZ2       LYS  41 125.191   1.544 -12.617
  302   3HZ   LYS  41          HZ3       LYS  41 124.099   0.254 -12.590
  303    H    GLU  42           HN       GLU  42 125.003  -2.104  -8.241
  304    HA   GLU  42           HA       GLU  42 127.755  -2.070  -7.231
  305   1HB   GLU  42          HB2       GLU  42 125.234  -0.839  -6.111
  306   2HB   GLU  42          HB1       GLU  42 126.825  -0.714  -5.376
  307   1HG   GLU  42          HG2       GLU  42 126.620   0.130  -8.192
  308   2HG   GLU  42          HG1       GLU  42 125.793   1.138  -7.007
  309    H    CYS  43           HN       CYS  43 125.263  -4.201  -7.299
  310    HA   CYS  43           HA       CYS  43 125.501  -5.118  -4.549
  311   1HB   CYS  43          HB2       CYS  43 123.784  -5.940  -6.882
  312   2HB   CYS  43          HB1       CYS  43 123.881  -6.921  -5.423
  313    H    GLY  44           HN       GLY  44 126.981  -6.544  -3.944
  314   1HA   GLY  44          HA2       GLY  44 128.489  -8.275  -4.005
  315   2HA   GLY  44          HA1       GLY  44 127.612  -8.883  -5.401
  316    H    THR  45           HN       THR  45 128.713  -5.685  -5.773
  317    HA   THR  45           HA       THR  45 130.531  -6.468  -7.845
  318    HB   THR  45           HB       THR  45 130.581  -3.668  -6.917
  319    HG1  THR  45           HG1      THR  45 128.195  -4.824  -7.918
  320   1HG2  THR  45          HG21      THR  45 130.137  -5.021  -9.556
  321   2HG2  THR  45          HG22      THR  45 131.525  -4.066  -9.033
  322   3HG2  THR  45          HG23      THR  45 129.974  -3.280  -9.326
  323    H    ASN  46           HN       ASN  46 132.378  -7.404  -7.161
  324    HA   ASN  46           HA       ASN  46 133.776  -6.525  -4.814
  325   1HB   ASN  46          HB2       ASN  46 133.883  -8.859  -5.424
  326   2HB   ASN  46          HB1       ASN  46 134.517  -8.459  -7.016
  327   1HD2  ASN  46          HD21      ASN  46 135.245  -8.028  -3.577
  328   2HD2  ASN  46          HD22      ASN  46 136.955  -8.214  -3.737
  329    H    GLU  47           HN       GLU  47 133.785  -4.245  -5.692
  330    HA   GLU  47           HA       GLU  47 135.698  -3.656  -7.766
  331   1HB   GLU  47          HB2       GLU  47 134.290  -1.760  -5.884
  332   2HB   GLU  47          HB1       GLU  47 135.112  -1.335  -7.379
  333   1HG   GLU  47          HG2       GLU  47 133.345  -1.855  -8.631
  334   2HG   GLU  47          HG1       GLU  47 133.044  -3.350  -7.746
  335    H    CYS  48           HN       CYS  48 135.673  -3.777  -4.283
  336    HA   CYS  48           HA       CYS  48 137.841  -2.132  -3.709
  337   1HB   CYS  48          HB2       CYS  48 136.819  -4.604  -2.359
  338   2HB   CYS  48          HB1       CYS  48 138.132  -3.641  -1.702
  339    H    LEU  49           HN       LEU  49 138.000  -5.642  -3.467
  340    HA   LEU  49           HA       LEU  49 140.780  -5.852  -3.674
  341   1HB   LEU  49          HB2       LEU  49 138.749  -7.911  -4.547
  342   2HB   LEU  49          HB1       LEU  49 140.428  -8.217  -4.143
  343    HG   LEU  49           HG       LEU  49 138.364  -7.200  -2.189
  344   1HD1  LEU  49          HD11      LEU  49 138.328  -9.670  -3.226
  345   2HD1  LEU  49          HD12      LEU  49 137.894  -9.316  -1.553
  346   3HD1  LEU  49          HD13      LEU  49 139.510  -9.909  -1.938
  347   1HD2  LEU  49          HD21      LEU  49 140.292  -6.551  -1.190
  348   2HD2  LEU  49          HD22      LEU  49 141.273  -7.727  -2.065
  349   3HD2  LEU  49          HD23      LEU  49 140.306  -8.240  -0.682
  350    H    ASP  50           HN       ASP  50 138.526  -4.998  -6.005
  351    HA   ASP  50           HA       ASP  50 139.459  -6.121  -8.313
  352   1HB   ASP  50          HB2       ASP  50 137.378  -4.648  -7.822
  353   2HB   ASP  50          HB1       ASP  50 138.438  -3.323  -8.296
  354    H    ASN  51           HN       ASN  51 141.193  -3.936  -6.379
  355    HA   ASN  51           HA       ASN  51 142.985  -3.401  -8.634
  356   1HB   ASN  51          HB2       ASN  51 143.324  -1.061  -7.759
  357   2HB   ASN  51          HB1       ASN  51 141.732  -1.362  -8.429
  358   1HD2  ASN  51          HD21      ASN  51 143.166   0.248  -6.094
  359   2HD2  ASN  51          HD22      ASN  51 141.954   0.190  -4.864
  360    H    ASN  52           HN       ASN  52 144.038  -1.572  -6.119
  361    HA   ASN  52           HA       ASN  52 146.107  -3.448  -5.385
  362   1HB   ASN  52          HB2       ASN  52 146.937  -1.499  -4.044
  363   2HB   ASN  52          HB1       ASN  52 146.687  -1.109  -5.741
  364   1HD2  ASN  52          HD21      ASN  52 145.099  -0.973  -2.595
  365   2HD2  ASN  52          HD22      ASN  52 144.168   0.435  -2.933
  366    H    GLY  53           HN       GLY  53 143.294  -1.912  -4.059
  367   1HA   GLY  53          HA2       GLY  53 142.803  -3.858  -2.080
  368   2HA   GLY  53          HA1       GLY  53 143.586  -2.471  -1.352
  369    H    GLY  54           HN       GLY  54 141.518  -2.066  -4.134
  370   1HA   GLY  54          HA2       GLY  54 139.392  -1.258  -4.381
  371   2HA   GLY  54          HA1       GLY  54 139.169  -1.401  -2.648
  372    H    CYS  55           HN       CYS  55 141.379   0.032  -1.866
  373    HA   CYS  55           HA       CYS  55 140.994   2.726  -2.886
  374   1HB   CYS  55          HB2       CYS  55 140.634   1.802  -0.036
  375   2HB   CYS  55          HB1       CYS  55 140.845   3.477  -0.493
  376    H    SER  56           HN       SER  56 142.777   0.506  -0.763
  377    HA   SER  56           HA       SER  56 145.228   1.421  -1.723
  378   1HB   SER  56          HB2       SER  56 144.230   2.667   0.749
  379   2HB   SER  56          HB1       SER  56 145.887   2.069   0.828
  380    HG   SER  56           HG       SER  56 146.435   3.382  -0.869
  381    H    HIS  57           HN       HIS  57 144.085   0.186   1.414
  382    HA   HIS  57           HA       HIS  57 145.953  -2.058   1.091
  383   1HB   HIS  57          HB2       HIS  57 144.624  -1.005   3.594
  384   2HB   HIS  57          HB1       HIS  57 145.830  -2.289   3.522
  385    HD1  HIS  57           HD1      HIS  57 146.659  -0.022   5.230
  386    HD2  HIS  57           HD2      HIS  57 147.221   0.013   1.113
  387    HE1  HIS  57           HE1      HIS  57 148.474   1.671   4.818
  388    HE2  HIS  57           HE2      HIS  57 148.745   1.735   2.313
  389    H    VAL  58           HN       VAL  58 142.906  -1.633   2.871
  390    HA   VAL  58           HA       VAL  58 141.829  -3.938   1.439
  391    HB   VAL  58           HB       VAL  58 140.764  -4.392   3.901
  392   1HG1  VAL  58          HG11      VAL  58 143.386  -5.663   3.278
  393   2HG1  VAL  58          HG12      VAL  58 142.045  -5.856   2.148
  394   3HG1  VAL  58          HG13      VAL  58 141.874  -6.395   3.819
  395   1HG2  VAL  58          HG21      VAL  58 142.214  -4.042   5.646
  396   2HG2  VAL  58          HG22      VAL  58 142.535  -2.606   4.674
  397   3HG2  VAL  58          HG23      VAL  58 143.633  -3.984   4.600
  398    H    CYS  59           HN       CYS  59 140.134  -3.160   0.456
  399    HA   CYS  59           HA       CYS  59 138.486  -1.146   1.798
  400   1HB   CYS  59          HB2       CYS  59 139.092  -0.212  -0.200
  401   2HB   CYS  59          HB1       CYS  59 139.180  -1.740  -1.041
  402    H    ASN  60           HN       ASN  60 136.455  -1.554   2.384
  403    HA   ASN  60           HA       ASN  60 135.451  -4.263   2.048
  404   1HB   ASN  60          HB2       ASN  60 135.453  -2.703   4.218
  405   2HB   ASN  60          HB1       ASN  60 133.903  -2.205   3.545
  406   1HD2  ASN  60          HD21      ASN  60 134.010  -3.427   5.968
  407   2HD2  ASN  60          HD22      ASN  60 133.335  -5.013   5.861
  408    H    ASP  61           HN       ASP  61 134.332  -4.674   0.254
  409    HA   ASP  61           HA       ASP  61 132.801  -2.568  -1.031
  410   1HB   ASP  61          HB2       ASP  61 134.276  -4.644  -2.026
  411   2HB   ASP  61          HB1       ASP  61 132.635  -5.267  -2.174
  412    H    LEU  62           HN       LEU  62 130.841  -2.176  -0.319
  413    HA   LEU  62           HA       LEU  62 129.207  -4.344   0.767
  414   1HB   LEU  62          HB2       LEU  62 128.909  -1.353   0.797
  415   2HB   LEU  62          HB1       LEU  62 127.607  -2.413   1.283
  416    HG   LEU  62           HG       LEU  62 130.303  -2.113   2.595
  417   1HD1  LEU  62          HD11      LEU  62 128.677  -1.689   4.567
  418   2HD1  LEU  62          HD12      LEU  62 127.497  -1.366   3.296
  419   3HD1  LEU  62          HD13      LEU  62 128.972  -0.405   3.394
  420   1HD2  LEU  62          HD21      LEU  62 129.393  -3.779   4.243
  421   2HD2  LEU  62          HD22      LEU  62 129.834  -4.440   2.668
  422   3HD2  LEU  62          HD23      LEU  62 128.139  -4.153   3.060
  423    H    LYS  63           HN       LYS  63 126.845  -4.323   0.180
  424    HA   LYS  63           HA       LYS  63 126.595  -4.719  -2.616
  425   1HB   LYS  63          HB2       LYS  63 124.208  -5.174  -2.100
  426   2HB   LYS  63          HB1       LYS  63 125.324  -6.084  -1.090
  427   1HG   LYS  63          HG2       LYS  63 124.443  -3.503   0.009
  428   2HG   LYS  63          HG1       LYS  63 123.192  -4.737  -0.157
  429   1HD   LYS  63          HD2       LYS  63 124.033  -5.977   1.512
  430   2HD   LYS  63          HD1       LYS  63 125.696  -5.745   0.968
  431   1HE   LYS  63          HE2       LYS  63 125.878  -4.537   2.860
  432   2HE   LYS  63          HE1       LYS  63 125.132  -3.270   1.887
  433   1HZ   LYS  63          HZ1       LYS  63 124.010  -4.842   4.063
  434   2HZ   LYS  63          HZ2       LYS  63 122.968  -4.502   2.775
  435   3HZ   LYS  63          HZ3       LYS  63 123.710  -3.237   3.618
  436    H    ILE  64           HN       ILE  64 126.122  -1.966  -0.609
  437    HA   ILE  64           HA       ILE  64 124.741  -0.594  -2.819
  438    HB   ILE  64           HB       ILE  64 123.395  -0.815  -0.736
  439   1HG1  ILE  64          HG12      ILE  64 123.607   2.044  -0.696
  440   2HG1  ILE  64          HG11      ILE  64 123.842   1.475  -2.346
  441   1HG2  ILE  64          HG21      ILE  64 123.960   0.354   1.251
  442   2HG2  ILE  64          HG22      ILE  64 125.343   1.129   0.478
  443   3HG2  ILE  64          HG23      ILE  64 125.370  -0.606   0.799
  444   1HD1  ILE  64          HD11      ILE  64 121.649   0.075  -1.196
  445   2HD1  ILE  64          HD12      ILE  64 121.669   1.178  -2.572
  446   3HD1  ILE  64          HD13      ILE  64 121.430   1.806  -0.941
  447    H    GLY  65           HN       GLY  65 127.658  -0.910  -2.413
  448   1HA   GLY  65          HA2       GLY  65 128.922   1.073  -3.372
  449   2HA   GLY  65          HA1       GLY  65 128.394   1.901  -1.917
  450    H    TYR  66           HN       TYR  66 131.082   1.004  -3.062
  451    HA   TYR  66           HA       TYR  66 132.032  -0.760  -0.964
  452   1HB   TYR  66          HB2       TYR  66 134.149  -0.753  -2.180
  453   2HB   TYR  66          HB1       TYR  66 132.813  -1.099  -3.271
  454    HD1  TYR  66           HD1      TYR  66 132.653   0.068  -5.267
  455    HD2  TYR  66           HD2      TYR  66 134.897   1.756  -2.070
  456    HE1  TYR  66           HE1      TYR  66 133.382   1.890  -6.748
  457    HE2  TYR  66           HE2      TYR  66 135.633   3.582  -3.543
  458    HH   TYR  66           HH       TYR  66 134.327   4.587  -6.020
  459    H    GLU  67           HN       GLU  67 133.433  -0.217   0.650
  460    HA   GLU  67           HA       GLU  67 134.106   2.638   0.922
  461   1HB   GLU  67          HB2       GLU  67 133.978   1.379   3.497
  462   2HB   GLU  67          HB1       GLU  67 133.073   2.759   2.899
  463   1HG   GLU  67          HG2       GLU  67 132.291  -0.112   2.452
  464   2HG   GLU  67          HG1       GLU  67 131.666   0.906   3.748
  465    H    CYS  68           HN       CYS  68 136.027   3.057   2.247
  466    HA   CYS  68           HA       CYS  68 138.024   0.972   1.793
  467   1HB   CYS  68          HB2       CYS  68 138.684   3.745   2.716
  468   2HB   CYS  68          HB1       CYS  68 139.638   2.648   1.724
  469    H    LEU  69           HN       LEU  69 139.106  -0.023   3.384
  470    HA   LEU  69           HA       LEU  69 138.591   0.843   6.153
  471   1HB   LEU  69          HB2       LEU  69 138.579  -1.912   4.951
  472   2HB   LEU  69          HB1       LEU  69 138.856  -1.672   6.662
  473    HG   LEU  69           HG       LEU  69 136.496  -2.262   5.993
  474   1HD1  LEU  69          HD11      LEU  69 136.650   0.384   7.396
  475   2HD1  LEU  69          HD12      LEU  69 137.235  -1.108   8.132
  476   3HD1  LEU  69          HD13      LEU  69 135.537  -0.955   7.680
  477   1HD2  LEU  69          HD21      LEU  69 135.135  -0.819   4.845
  478   2HD2  LEU  69          HD22      LEU  69 136.670  -0.547   4.020
  479   3HD2  LEU  69          HD23      LEU  69 136.112   0.593   5.244
  480    H    CYS  70           HN       CYS  70 140.283   0.531   7.648
  481    HA   CYS  70           HA       CYS  70 142.854  -0.387   6.604
  482   1HB   CYS  70          HB2       CYS  70 142.689   2.222   8.103
  483   2HB   CYS  70          HB1       CYS  70 144.048   1.569   7.195
  484    HA   PRO  71           HA       PRO  71 143.379  -2.399  10.484
  485   1HB   PRO  71          HB2       PRO  71 146.088  -1.165  10.575
  486   2HB   PRO  71          HB1       PRO  71 145.619  -2.860  10.730
  487   1HG   PRO  71          HG2       PRO  71 146.722  -1.954   8.480
  488   2HG   PRO  71          HG1       PRO  71 145.416  -3.153   8.440
  489   1HD   PRO  71          HD2       PRO  71 145.329  -0.232   7.839
  490   2HD   PRO  71          HD1       PRO  71 144.429  -1.566   7.093
  491    H    ASP  72           HN       ASP  72 144.016  -1.959  12.795
  492    HA   ASP  72           HA       ASP  72 142.710   0.304  13.759
  493   1HB   ASP  72          HB2       ASP  72 143.279  -1.886  14.975
  494   2HB   ASP  72          HB1       ASP  72 144.843  -1.149  15.313
  495    H    GLY  73           HN       GLY  73 143.374   2.252  14.570
  496   1HA   GLY  73          HA2       GLY  73 144.710   4.091  14.909
  497   2HA   GLY  73          HA1       GLY  73 146.094   3.012  14.873
  498    H    PHE  74           HN       PHE  74 143.863   3.243  12.177
  499    HA   PHE  74           HA       PHE  74 146.005   4.566  10.645
  500   1HB   PHE  74          HB2       PHE  74 144.155   2.347   9.973
  501   2HB   PHE  74          HB1       PHE  74 144.491   3.504   8.691
  502    HD1  PHE  74           HD1      PHE  74 146.795   3.821   7.882
  503    HD2  PHE  74           HD2      PHE  74 145.798   0.791  10.697
  504    HE1  PHE  74           HE1      PHE  74 148.918   2.678   7.396
  505    HE2  PHE  74           HE2      PHE  74 147.921  -0.358  10.218
  506    HZ   PHE  74           HZ       PHE  74 149.485   0.586   8.565
  507    H    GLN  75           HN       GLN  75 145.181   5.785   8.706
  508    HA   GLN  75           HA       GLN  75 142.583   7.051   9.134
  509   1HB   GLN  75          HB2       GLN  75 145.246   8.419   9.228
  510   2HB   GLN  75          HB1       GLN  75 143.855   9.283   8.588
  511   1HG   GLN  75          HG2       GLN  75 144.144   8.109  11.342
  512   2HG   GLN  75          HG1       GLN  75 144.131   9.817  10.909
  513   1HE2  GLN  75          HE21      GLN  75 142.222  10.848  10.620
  514   2HE2  GLN  75          HE22      GLN  75 140.679  10.110  10.864
  515    H    LEU  76           HN       LEU  76 141.572   6.719   7.261
  516    HA   LEU  76           HA       LEU  76 142.944   6.283   4.812
  517   1HB   LEU  76          HB2       LEU  76 140.764   5.259   5.409
  518   2HB   LEU  76          HB1       LEU  76 140.017   6.838   5.266
  519    HG   LEU  76           HG       LEU  76 141.155   6.668   2.832
  520   1HD1  LEU  76          HD11      LEU  76 140.742   4.365   1.993
  521   2HD1  LEU  76          HD12      LEU  76 140.540   3.840   3.664
  522   3HD1  LEU  76          HD13      LEU  76 142.091   4.483   3.122
  523   1HD2  LEU  76          HD21      LEU  76 138.907   5.779   2.075
  524   2HD2  LEU  76          HD22      LEU  76 138.878   7.228   3.080
  525   3HD2  LEU  76          HD23      LEU  76 138.489   5.658   3.784
  526    H    VAL  77           HN       VAL  77 144.057   7.987   3.931
  527    HA   VAL  77           HA       VAL  77 142.860  10.619   3.918
  528    HB   VAL  77           HB       VAL  77 145.549   9.781   2.846
  529   1HG1  VAL  77          HG11      VAL  77 144.568  11.938   2.033
  530   2HG1  VAL  77          HG12      VAL  77 146.107  12.100   2.880
  531   3HG1  VAL  77          HG13      VAL  77 144.601  12.510   3.700
  532   1HG2  VAL  77          HG21      VAL  77 144.826   9.603   5.461
  533   2HG2  VAL  77          HG22      VAL  77 145.441  11.254   5.382
  534   3HG2  VAL  77          HG23      VAL  77 146.468   9.907   4.893
  535    H    ALA  78           HN       ALA  78 142.264  11.733   2.117
  536    HA   ALA  78           HA       ALA  78 141.657  12.145  -0.044
  537   1HB   ALA  78          HB1       ALA  78 143.064   9.740  -1.087
  538   2HB   ALA  78          HB2       ALA  78 144.024  11.058  -0.416
  539   3HB   ALA  78          HB3       ALA  78 142.936  11.361  -1.771
  540    H    GLN  79           HN       GLN  79 140.486   9.933   1.816
  541    HA   GLN  79           HA       GLN  79 138.561   8.733   1.807
  542   1HB   GLN  79          HB2       GLN  79 138.234   9.376  -1.118
  543   2HB   GLN  79          HB1       GLN  79 136.985   8.951   0.044
  544   1HG   GLN  79          HG2       GLN  79 137.334  11.058   1.210
  545   2HG   GLN  79          HG1       GLN  79 138.610  11.485   0.070
  546   1HE2  GLN  79          HE21      GLN  79 135.377  10.082  -0.333
  547   2HE2  GLN  79          HE22      GLN  79 134.807  11.282  -1.440
  548    H    ARG  80           HN       ARG  80 141.298   7.765   0.641
  549    HA   ARG  80           HA       ARG  80 140.371   5.092   0.188
  550   1HB   ARG  80          HB2       ARG  80 141.577   6.635  -2.087
  551   2HB   ARG  80          HB1       ARG  80 141.656   4.887  -2.013
  552   1HG   ARG  80          HG2       ARG  80 139.024   5.245  -1.617
  553   2HG   ARG  80          HG1       ARG  80 139.384   6.654  -2.614
  554   1HD   ARG  80          HD2       ARG  80 140.724   4.423  -3.746
  555   2HD   ARG  80          HD1       ARG  80 139.064   3.936  -3.409
  556    HE   ARG  80           HE       ARG  80 138.387   5.262  -5.132
  557   1HH1  ARG  80          HH11      ARG  80 141.538   6.347  -4.092
  558   2HH1  ARG  80          HH12      ARG  80 141.691   7.516  -5.361
  559   1HH2  ARG  80          HH21      ARG  80 138.589   6.798  -6.800
  560   2HH2  ARG  80          HH22      ARG  80 140.018   7.772  -6.898
  561    H    ARG  81           HN       ARG  81 143.027   7.335   0.578
  562    HA   ARG  81           HA       ARG  81 145.007   5.251   0.601
  563   1HB   ARG  81          HB2       ARG  81 145.433   7.596  -0.179
  564   2HB   ARG  81          HB1       ARG  81 145.348   8.095   1.504
  565   1HG   ARG  81          HG2       ARG  81 147.513   7.671   1.677
  566   2HG   ARG  81          HG1       ARG  81 147.148   5.959   1.453
  567   1HD   ARG  81          HD2       ARG  81 147.387   6.198  -0.951
  568   2HD   ARG  81          HD1       ARG  81 147.671   7.929  -0.771
  569    HE   ARG  81           HE       ARG  81 149.841   7.475  -0.224
  570   1HH1  ARG  81          HH11      ARG  81 147.970   4.549   0.121
  571   2HH1  ARG  81          HH12      ARG  81 149.354   3.550   0.414
  572   1HH2  ARG  81          HH21      ARG  81 151.661   6.163   0.162
  573   2HH2  ARG  81          HH22      ARG  81 151.450   4.466   0.439
  574    H    CYS  82           HN       CYS  82 145.339   3.927   2.240
  575    HA   CYS  82           HA       CYS  82 144.328   4.510   4.867
  576   1HB   CYS  82          HB2       CYS  82 145.826   2.202   3.662
  577   2HB   CYS  82          HB1       CYS  82 145.582   2.306   5.399
  578    H    GLU  83           HN       GLU  83 145.365   5.950   6.100
  579    HA   GLU  83           HA       GLU  83 148.005   5.473   6.991
  580   1HB   GLU  83          HB2       GLU  83 148.199   6.603   4.623
  581   2HB   GLU  83          HB1       GLU  83 147.850   8.072   5.524
  582   1HG   GLU  83          HG2       GLU  83 150.025   6.235   6.425
  583   2HG   GLU  83          HG1       GLU  83 150.304   7.375   5.110
  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1 126.792   9.999  -0.574
    2   2H    GLY   1           HT2      GLY   1 128.065   8.923  -0.286
    3   3H    GLY   1           HT3      GLY   1 128.166  10.520   0.264
    4   1HA   GLY   1          HA1       GLY   1 126.092   8.618   1.190
    5   2HA   GLY   1          HA2       GLY   1 127.631   8.826   2.012
    6    H    ASN   2           HN       ASN   2 124.538  10.242   1.296
    7    HA   ASN   2           HA       ASN   2 125.017  12.217   3.420
    8   1HB   ASN   2          HB2       ASN   2 124.924  12.986   0.835
    9   2HB   ASN   2          HB1       ASN   2 123.206  13.037   1.221
   10   1HD2  ASN   2          HD21      ASN   2 122.722  14.159   3.352
   11   2HD2  ASN   2          HD22      ASN   2 123.568  15.638   3.641
   12    H    VAL   3           HN       VAL   3 123.324  12.589   4.796
   13    HA   VAL   3           HA       VAL   3 120.964  10.868   4.417
   14    HB   VAL   3           HB       VAL   3 120.699  11.100   6.925
   15   1HG1  VAL   3          HG11      VAL   3 123.307   9.775   6.353
   16   2HG1  VAL   3          HG12      VAL   3 121.852   9.196   5.542
   17   3HG1  VAL   3          HG13      VAL   3 121.935   9.203   7.304
   18   1HG2  VAL   3          HG21      VAL   3 122.132  13.063   7.217
   19   2HG2  VAL   3          HG22      VAL   3 123.534  12.115   6.721
   20   3HG2  VAL   3          HG23      VAL   3 122.680  11.714   8.211
   21    H    THR   4           HN       THR   4 119.086  11.846   4.068
   22    HA   THR   4           HA       THR   4 118.690  14.569   5.107
   23    HB   THR   4           HB       THR   4 117.196  14.713   2.896
   24    HG1  THR   4           HG1      THR   4 117.794  12.656   2.148
   25   1HG2  THR   4          HG21      THR   4 120.029  15.402   3.376
   26   2HG2  THR   4          HG22      THR   4 118.656  16.435   2.980
   27   3HG2  THR   4          HG23      THR   4 119.439  15.486   1.717
   28    H    LEU   5           HN       LEU   5 116.738  14.970   6.024
   29    HA   LEU   5           HA       LEU   5 114.646  14.637   6.848
   30   1HB   LEU   5          HB2       LEU   5 114.242  12.417   4.865
   31   2HB   LEU   5          HB1       LEU   5 113.038  13.468   5.585
   32    HG   LEU   5           HG       LEU   5 115.064  14.857   3.962
   33   1HD1  LEU   5          HD11      LEU   5 114.358  12.535   2.861
   34   2HD1  LEU   5          HD12      LEU   5 114.606  14.003   1.916
   35   3HD1  LEU   5          HD13      LEU   5 112.973  13.508   2.363
   36   1HD2  LEU   5          HD21      LEU   5 112.825  15.783   3.039
   37   2HD2  LEU   5          HD22      LEU   5 113.328  16.209   4.674
   38   3HD2  LEU   5          HD23      LEU   5 112.111  14.957   4.424
   39    H    CYS   6           HN       CYS   6 115.595  11.355   5.810
   40    HA   CYS   6           HA       CYS   6 115.143  10.459   8.572
   41   1HB   CYS   6          HB2       CYS   6 114.023   9.468   6.325
   42   2HB   CYS   6          HB1       CYS   6 115.461   8.456   6.411
   43    H    GLU   7           HN       GLU   7 116.900  10.153   9.750
   44    HA   GLU   7           HA       GLU   7 119.261   8.943   8.505
   45   1HB   GLU   7          HB2       GLU   7 120.759  10.505   9.612
   46   2HB   GLU   7          HB1       GLU   7 119.637  11.381   8.579
   47   1HG   GLU   7          HG2       GLU   7 118.305  11.413  10.940
   48   2HG   GLU   7          HG1       GLU   7 119.981  11.455  11.487
   49    H    GLY   8           HN       GLY   8 119.972   7.261   9.648
   50   1HA   GLY   8          HA2       GLY   8 119.793   7.269  12.550
   51   2HA   GLY   8          HA1       GLY   8 118.830   6.047  11.734
   52    HA   PRO   9           HA       PRO   9 123.365   4.710  12.359
   53   1HB   PRO   9          HB2       PRO   9 122.987   2.900  14.348
   54   2HB   PRO   9          HB1       PRO   9 123.372   4.599  14.649
   55   1HG   PRO   9          HG2       PRO   9 120.721   3.214  14.728
   56   2HG   PRO   9          HG1       PRO   9 121.389   4.418  15.844
   57   1HD   PRO   9          HD2       PRO   9 119.594   5.054  13.920
   58   2HD   PRO   9          HD1       PRO   9 120.852   6.183  14.464
   59    H    ASN  10           HN       ASN  10 120.275   3.279  11.881
   60    HA   ASN  10           HA       ASN  10 121.488   1.192  10.259
   61   1HB   ASN  10          HB2       ASN  10 119.906  -0.516  11.282
   62   2HB   ASN  10          HB1       ASN  10 121.273  -0.032  12.279
   63   1HD2  ASN  10          HD21      ASN  10 117.837   0.421  11.741
   64   2HD2  ASN  10          HD22      ASN  10 117.463   0.939  13.346
   65    H    LYS  11           HN       LYS  11 119.761   3.667   9.980
   66    HA   LYS  11           HA       LYS  11 117.357   2.483   8.789
   67   1HB   LYS  11          HB2       LYS  11 118.076   5.366   9.358
   68   2HB   LYS  11          HB1       LYS  11 116.572   4.838   8.617
   69   1HG   LYS  11          HG2       LYS  11 115.842   3.790  10.590
   70   2HG   LYS  11          HG1       LYS  11 117.448   3.867  11.317
   71   1HD   LYS  11          HD2       LYS  11 117.012   6.485  10.881
   72   2HD   LYS  11          HD1       LYS  11 115.351   5.937  11.114
   73   1HE   LYS  11          HE2       LYS  11 115.766   5.211  13.286
   74   2HE   LYS  11          HE1       LYS  11 117.509   5.140  13.030
   75   1HZ   LYS  11          HZ1       LYS  11 117.476   7.598  12.858
   76   2HZ   LYS  11          HZ2       LYS  11 117.016   7.023  14.381
   77   3HZ   LYS  11          HZ3       LYS  11 115.841   7.581  13.299
   78    H    PHE  12           HN       PHE  12 116.654   3.279   6.674
   79    HA   PHE  12           HA       PHE  12 118.809   4.213   4.926
   80   1HB   PHE  12          HB2       PHE  12 118.597   1.653   4.923
   81   2HB   PHE  12          HB1       PHE  12 117.062   1.902   4.099
   82    HD1  PHE  12           HD1      PHE  12 116.991   2.778   1.837
   83    HD2  PHE  12           HD2      PHE  12 120.691   2.082   3.821
   84    HE1  PHE  12           HE1      PHE  12 118.171   2.940  -0.316
   85    HE2  PHE  12           HE2      PHE  12 121.877   2.242   1.672
   86    HZ   PHE  12           HZ       PHE  12 120.617   2.673  -0.400
   87    H    LYS  13           HN       LYS  13 118.138   5.472   3.223
   88    HA   LYS  13           HA       LYS  13 115.242   6.003   3.085
   89   1HB   LYS  13          HB2       LYS  13 115.798   8.299   2.438
   90   2HB   LYS  13          HB1       LYS  13 116.484   7.898   4.005
   91   1HG   LYS  13          HG2       LYS  13 118.359   8.783   3.180
   92   2HG   LYS  13          HG1       LYS  13 118.530   7.241   2.339
   93   1HD   LYS  13          HD2       LYS  13 118.790   8.783   0.626
   94   2HD   LYS  13          HD1       LYS  13 117.081   8.362   0.506
   95   1HE   LYS  13          HE2       LYS  13 116.386  10.403   1.227
   96   2HE   LYS  13          HE1       LYS  13 117.787  10.629   2.273
   97   1HZ   LYS  13          HZ1       LYS  13 117.619  12.097   0.234
   98   2HZ   LYS  13          HZ2       LYS  13 118.009  10.724  -0.675
   99   3HZ   LYS  13          HZ3       LYS  13 119.098  11.312   0.480
  100    H    CYS  14           HN       CYS  14 114.352   5.303   1.265
  101    HA   CYS  14           HA       CYS  14 115.836   4.453  -0.984
  102   1HB   CYS  14          HB2       CYS  14 112.885   5.102  -0.811
  103   2HB   CYS  14          HB1       CYS  14 113.661   4.148  -2.070
  104    H    HIS  15           HN       HIS  15 114.732   5.340  -3.243
  105    HA   HIS  15           HA       HIS  15 115.885   7.950  -3.531
  106   1HB   HIS  15          HB2       HIS  15 116.100   6.244  -5.293
  107   2HB   HIS  15          HB1       HIS  15 114.356   6.267  -5.529
  108    HD1  HIS  15           HD1      HIS  15 115.697   9.612  -4.980
  109    HD2  HIS  15           HD2      HIS  15 115.143   7.076  -8.225
  110    HE1  HIS  15           HE1      HIS  15 115.874  11.077  -7.016
  111    HE2  HIS  15           HE2      HIS  15 115.452   9.535  -8.963
  112    H    SER  16           HN       SER  16 112.668   6.637  -3.229
  113    HA   SER  16           HA       SER  16 111.469   9.235  -3.841
  114   1HB   SER  16          HB2       SER  16 110.639   6.785  -4.575
  115   2HB   SER  16          HB1       SER  16 109.762   6.935  -3.052
  116    HG   SER  16           HG       SER  16 108.412   7.898  -4.409
  117    H    GLY  17           HN       GLY  17 113.039   8.595  -1.364
  118   1HA   GLY  17          HA2       GLY  17 112.943   9.174   0.854
  119   2HA   GLY  17          HA1       GLY  17 111.455  10.027   0.474
  120    H    GLU  18           HN       GLU  18 112.860   7.207   1.845
  121    HA   GLU  18           HA       GLU  18 110.396   6.515   3.131
  122   1HB   GLU  18          HB2       GLU  18 111.382   4.931   0.813
  123   2HB   GLU  18          HB1       GLU  18 110.756   4.041   2.194
  124   1HG   GLU  18          HG2       GLU  18 108.829   5.932   1.827
  125   2HG   GLU  18          HG1       GLU  18 109.353   5.614   0.174
  126    H    CYS  19           HN       CYS  19 110.946   5.944   5.122
  127    HA   CYS  19           HA       CYS  19 113.669   5.251   5.753
  128   1HB   CYS  19          HB2       CYS  19 111.271   5.307   7.594
  129   2HB   CYS  19          HB1       CYS  19 112.966   5.345   8.065
  130    H    ILE  20           HN       ILE  20 114.470   3.250   5.745
  131    HA   ILE  20           HA       ILE  20 112.810   1.011   6.569
  132    HB   ILE  20           HB       ILE  20 113.944  -0.289   4.617
  133   1HG1  ILE  20          HG12      ILE  20 113.663   2.200   3.036
  134   2HG1  ILE  20          HG11      ILE  20 115.089   2.096   4.063
  135   1HG2  ILE  20          HG21      ILE  20 111.490   0.240   4.980
  136   2HG2  ILE  20          HG22      ILE  20 111.992  -0.087   3.321
  137   3HG2  ILE  20          HG23      ILE  20 111.718   1.574   3.848
  138   1HD1  ILE  20          HD11      ILE  20 115.002   1.193   1.550
  139   2HD1  ILE  20          HD12      ILE  20 114.508  -0.268   2.405
  140   3HD1  ILE  20          HD13      ILE  20 116.045   0.504   2.794
  141    H    THR  21           HN       THR  21 114.406  -1.032   6.561
  142    HA   THR  21           HA       THR  21 116.687  -0.106   8.103
  143    HB   THR  21           HB       THR  21 116.610  -2.046   9.227
  144    HG1  THR  21           HG1      THR  21 116.340  -4.040   8.303
  145   1HG2  THR  21          HG21      THR  21 114.472  -2.864   9.622
  146   2HG2  THR  21          HG22      THR  21 113.947  -2.545   7.968
  147   3HG2  THR  21          HG23      THR  21 114.220  -1.204   9.081
  148    H    LEU  22           HN       LEU  22 118.809  -0.911   7.797
  149    HA   LEU  22           HA       LEU  22 119.578  -0.950   5.042
  150   1HB   LEU  22          HB2       LEU  22 121.837  -0.967   5.865
  151   2HB   LEU  22          HB1       LEU  22 120.880   0.178   6.783
  152    HG   LEU  22           HG       LEU  22 120.613  -1.796   8.471
  153   1HD1  LEU  22          HD11      LEU  22 121.599  -3.651   7.637
  154   2HD1  LEU  22          HD12      LEU  22 123.042  -2.928   8.350
  155   3HD1  LEU  22          HD13      LEU  22 122.718  -2.736   6.627
  156   1HD2  LEU  22          HD21      LEU  22 123.372  -0.725   8.508
  157   2HD2  LEU  22          HD22      LEU  22 122.141  -0.739   9.772
  158   3HD2  LEU  22          HD23      LEU  22 122.057   0.450   8.472
  159    H    ASP  23           HN       ASP  23 119.056  -3.360   7.481
  160    HA   ASP  23           HA       ASP  23 120.659  -5.426   6.759
  161   1HB   ASP  23          HB2       ASP  23 117.722  -5.678   7.384
  162   2HB   ASP  23          HB1       ASP  23 118.909  -6.969   7.491
  163    H    LYS  24           HN       LYS  24 117.297  -5.239   5.509
  164    HA   LYS  24           HA       LYS  24 117.793  -7.109   3.525
  165   1HB   LYS  24          HB2       LYS  24 115.601  -6.100   2.567
  166   2HB   LYS  24          HB1       LYS  24 115.562  -6.948   4.101
  167   1HG   LYS  24          HG2       LYS  24 114.243  -4.855   4.056
  168   2HG   LYS  24          HG1       LYS  24 115.490  -4.877   5.302
  169   1HD   LYS  24          HD2       LYS  24 116.818  -3.349   4.176
  170   2HD   LYS  24          HD1       LYS  24 116.072  -3.697   2.616
  171   1HE   LYS  24          HE2       LYS  24 114.597  -2.387   4.888
  172   2HE   LYS  24          HE1       LYS  24 115.476  -1.476   3.661
  173   1HZ   LYS  24          HZ1       LYS  24 113.425  -3.458   2.900
  174   2HZ   LYS  24          HZ2       LYS  24 114.019  -2.151   2.005
  175   3HZ   LYS  24          HZ3       LYS  24 112.990  -1.878   3.319
  176    H    VAL  25           HN       VAL  25 119.575  -4.687   3.492
  177    HA   VAL  25           HA       VAL  25 119.059  -3.065   1.281
  178    HB   VAL  25           HB       VAL  25 121.407  -3.714   2.933
  179   1HG1  VAL  25          HG11      VAL  25 121.781  -2.715   0.123
  180   2HG1  VAL  25          HG12      VAL  25 122.452  -4.181   0.840
  181   3HG1  VAL  25          HG13      VAL  25 122.995  -2.599   1.396
  182   1HG2  VAL  25          HG21      VAL  25 120.632  -1.097   1.680
  183   2HG2  VAL  25          HG22      VAL  25 121.574  -1.374   3.145
  184   3HG2  VAL  25          HG23      VAL  25 119.847  -1.729   3.128
  185    H    CYS  26           HN       CYS  26 119.016  -3.472  -0.825
  186    HA   CYS  26           HA       CYS  26 119.176  -4.552  -2.819
  187   1HB   CYS  26          HB2       CYS  26 121.517  -3.856  -2.576
  188   2HB   CYS  26          HB1       CYS  26 121.875  -5.342  -1.703
  189    H    ASN  27           HN       ASN  27 117.516  -5.975  -1.442
  190    HA   ASN  27           HA       ASN  27 118.481  -8.754  -1.466
  191   1HB   ASN  27          HB2       ASN  27 116.495  -9.236  -0.040
  192   2HB   ASN  27          HB1       ASN  27 117.622  -8.102   0.699
  193   1HD2  ASN  27          HD21      ASN  27 114.870  -8.449   1.350
  194   2HD2  ASN  27          HD22      ASN  27 114.072  -6.951   1.030
  195    H    MET  28           HN       MET  28 117.535 -10.248  -2.742
  196    HA   MET  28           HA       MET  28 116.545  -9.936  -5.135
  197   1HB   MET  28          HB2       MET  28 116.804 -12.113  -3.858
  198   2HB   MET  28          HB1       MET  28 115.145 -11.891  -3.323
  199   1HG   MET  28          HG2       MET  28 115.235 -13.384  -5.219
  200   2HG   MET  28          HG1       MET  28 114.395 -11.895  -5.647
  201   1HE   MET  28          HE1       MET  28 116.312 -14.429  -7.153
  202   2HE   MET  28          HE2       MET  28 116.780 -13.566  -8.617
  203   3HE   MET  28          HE3       MET  28 115.104 -13.532  -8.072
  204    H    ALA  29           HN       ALA  29 114.370  -9.769  -2.311
  205    HA   ALA  29           HA       ALA  29 112.080  -9.147  -3.915
  206   1HB   ALA  29          HB1       ALA  29 112.654  -9.450  -1.030
  207   2HB   ALA  29          HB2       ALA  29 111.345 -10.118  -2.006
  208   3HB   ALA  29          HB3       ALA  29 111.276  -8.440  -1.467
  209    H    ARG  30           HN       ARG  30 111.128  -7.197  -4.307
  210    HA   ARG  30           HA       ARG  30 112.712  -4.902  -4.453
  211   1HB   ARG  30          HB2       ARG  30 110.675  -5.339  -5.818
  212   2HB   ARG  30          HB1       ARG  30 109.692  -5.019  -4.395
  213   1HG   ARG  30          HG2       ARG  30 110.592  -2.736  -4.306
  214   2HG   ARG  30          HG1       ARG  30 111.524  -3.064  -5.768
  215   1HD   ARG  30          HD2       ARG  30 109.604  -1.952  -6.520
  216   2HD   ARG  30          HD1       ARG  30 109.298  -3.655  -6.857
  217    HE   ARG  30           HE       ARG  30 107.949  -1.982  -4.902
  218   1HH1  ARG  30          HH11      ARG  30 108.499  -5.212  -6.120
  219   2HH1  ARG  30          HH12      ARG  30 107.062  -5.857  -5.404
  220   1HH2  ARG  30          HH21      ARG  30 106.062  -2.837  -3.963
  221   2HH2  ARG  30          HH22      ARG  30 105.680  -4.512  -4.180
  222    H    ASP  31           HN       ASP  31 112.937  -3.099  -3.195
  223    HA   ASP  31           HA       ASP  31 111.696  -3.211  -0.524
  224   1HB   ASP  31          HB2       ASP  31 114.477  -2.523  -1.386
  225   2HB   ASP  31          HB1       ASP  31 113.816  -1.771   0.062
  226    H    CYS  32           HN       CYS  32 112.685  -1.153  -3.199
  227    HA   CYS  32           HA       CYS  32 110.928   0.948  -2.130
  228   1HB   CYS  32          HB2       CYS  32 113.454   1.579  -3.646
  229   2HB   CYS  32          HB1       CYS  32 112.448   2.671  -2.699
  230    H    ARG  33           HN       ARG  33 109.953   2.319  -3.719
  231    HA   ARG  33           HA       ARG  33 108.966   0.959  -5.954
  232   1HB   ARG  33          HB2       ARG  33 108.927   3.821  -5.072
  233   2HB   ARG  33          HB1       ARG  33 108.329   3.399  -6.671
  234   1HG   ARG  33          HG2       ARG  33 106.752   1.814  -5.626
  235   2HG   ARG  33          HG1       ARG  33 107.313   2.347  -4.039
  236   1HD   ARG  33          HD2       ARG  33 106.494   4.499  -5.870
  237   2HD   ARG  33          HD1       ARG  33 105.200   3.415  -5.363
  238    HE   ARG  33           HE       ARG  33 106.548   4.089  -3.062
  239   1HH1  ARG  33          HH11      ARG  33 104.837   5.806  -5.573
  240   2HH1  ARG  33          HH12      ARG  33 104.336   7.091  -4.525
  241   1HH2  ARG  33          HH21      ARG  33 105.890   5.779  -1.684
  242   2HH2  ARG  33          HH22      ARG  33 104.934   7.076  -2.318
  243    H    ASP  34           HN       ASP  34 111.596   3.290  -5.640
  244    HA   ASP  34           HA       ASP  34 112.110   3.287  -8.489
  245   1HB   ASP  34          HB2       ASP  34 113.705   4.529  -6.239
  246   2HB   ASP  34          HB1       ASP  34 113.921   4.839  -7.959
  247    H    TRP  35           HN       TRP  35 112.794   1.166  -6.040
  248    HA   TRP  35           HA       TRP  35 114.206  -0.598  -5.824
  249   1HB   TRP  35          HB2       TRP  35 114.530   0.036  -8.743
  250   2HB   TRP  35          HB1       TRP  35 115.494  -1.229  -7.988
  251    HD1  TRP  35           HD1      TRP  35 111.701  -0.356  -7.973
  252    HE1  TRP  35           HE1      TRP  35 110.393  -2.543  -8.333
  253    HE3  TRP  35           HE3      TRP  35 115.633  -3.602  -8.319
  254    HZ2  TRP  35           HZ2      TRP  35 110.955  -5.284  -8.712
  255    HZ3  TRP  35           HZ3      TRP  35 115.163  -5.990  -8.680
  256    HH2  TRP  35           HH2      TRP  35 112.872  -6.812  -8.871
  257    H    SER  36           HN       SER  36 115.109   2.177  -5.297
  258    HA   SER  36           HA       SER  36 117.815   2.473  -6.046
  259   1HB   SER  36          HB2       SER  36 117.713   3.893  -3.756
  260   2HB   SER  36          HB1       SER  36 117.049   4.483  -5.279
  261    HG   SER  36           HG       SER  36 115.642   3.184  -3.186
  262    H    ASP  37           HN       ASP  37 116.235   0.688  -3.513
  263    HA   ASP  37           HA       ASP  37 118.522   0.300  -1.868
  264   1HB   ASP  37          HB2       ASP  37 115.751  -0.470  -1.852
  265   2HB   ASP  37          HB1       ASP  37 116.753  -1.875  -1.506
  266    H    GLU  38           HN       GLU  38 117.245  -1.298  -4.690
  267    HA   GLU  38           HA       GLU  38 119.293  -3.393  -4.438
  268   1HB   GLU  38          HB2       GLU  38 116.721  -3.281  -6.005
  269   2HB   GLU  38          HB1       GLU  38 117.934  -4.527  -6.262
  270   1HG   GLU  38          HG2       GLU  38 116.157  -5.309  -4.806
  271   2HG   GLU  38          HG1       GLU  38 117.701  -5.254  -3.955
  272    HA   PRO  39           HA       PRO  39 120.720  -0.553  -7.897
  273   1HB   PRO  39          HB2       PRO  39 123.223  -0.135  -6.966
  274   2HB   PRO  39          HB1       PRO  39 121.851   0.860  -6.464
  275   1HG   PRO  39          HG2       PRO  39 123.128  -1.452  -5.046
  276   2HG   PRO  39          HG1       PRO  39 122.619   0.116  -4.391
  277   1HD   PRO  39          HD2       PRO  39 121.120  -2.119  -4.124
  278   2HD   PRO  39          HD1       PRO  39 120.402  -0.504  -4.290
  279    H    ILE  40           HN       ILE  40 120.731  -2.278  -9.336
  280    HA   ILE  40           HA       ILE  40 122.147  -4.632  -9.187
  281    HB   ILE  40           HB       ILE  40 121.616  -3.082 -11.724
  282   1HG1  ILE  40          HG12      ILE  40 119.894  -5.101 -10.266
  283   2HG1  ILE  40          HG11      ILE  40 119.572  -3.375 -10.396
  284   1HG2  ILE  40          HG21      ILE  40 122.823  -4.756 -12.606
  285   2HG2  ILE  40          HG22      ILE  40 121.373  -5.723 -12.338
  286   3HG2  ILE  40          HG23      ILE  40 122.682  -5.753 -11.158
  287   1HD1  ILE  40          HD11      ILE  40 118.198  -4.649 -11.934
  288   2HD1  ILE  40          HD12      ILE  40 119.644  -5.331 -12.679
  289   3HD1  ILE  40          HD13      ILE  40 119.317  -3.602 -12.808
  290    H    LYS  41           HN       LYS  41 123.271  -1.524 -10.521
  291    HA   LYS  41           HA       LYS  41 125.791  -2.535 -11.353
  292   1HB   LYS  41          HB2       LYS  41 124.743  -0.510 -12.309
  293   2HB   LYS  41          HB1       LYS  41 124.977   0.317 -10.775
  294   1HG   LYS  41          HG2       LYS  41 127.498  -0.548 -11.309
  295   2HG   LYS  41          HG1       LYS  41 126.878  -0.233 -12.931
  296   1HD   LYS  41          HD2       LYS  41 126.829   1.715 -10.627
  297   2HD   LYS  41          HD1       LYS  41 127.981   1.740 -11.965
  298   1HE   LYS  41          HE2       LYS  41 126.474   2.588 -13.423
  299   2HE   LYS  41          HE1       LYS  41 125.126   1.704 -12.709
  300   1HZ   LYS  41          HZ1       LYS  41 126.348   3.908 -11.201
  301   2HZ   LYS  41          HZ2       LYS  41 124.758   3.333 -11.163
  302   3HZ   LYS  41          HZ3       LYS  41 125.286   4.272 -12.467
  303    H    GLU  42           HN       GLU  42 124.572  -1.301  -8.338
  304    HA   GLU  42           HA       GLU  42 127.280  -1.106  -7.245
  305   1HB   GLU  42          HB2       GLU  42 124.752  -0.448  -5.758
  306   2HB   GLU  42          HB1       GLU  42 126.383   0.132  -5.454
  307   1HG   GLU  42          HG2       GLU  42 124.853   0.806  -7.948
  308   2HG   GLU  42          HG1       GLU  42 124.781   1.781  -6.480
  309    H    CYS  43           HN       CYS  43 125.054  -3.490  -7.622
  310    HA   CYS  43           HA       CYS  43 125.597  -4.716  -5.012
  311   1HB   CYS  43          HB2       CYS  43 123.507  -5.287  -7.113
  312   2HB   CYS  43          HB1       CYS  43 123.802  -6.359  -5.748
  313    H    GLY  44           HN       GLY  44 126.997  -6.339  -4.840
  314   1HA   GLY  44          HA2       GLY  44 128.338  -8.126  -5.398
  315   2HA   GLY  44          HA1       GLY  44 127.383  -8.310  -6.861
  316    H    THR  45           HN       THR  45 128.581  -5.176  -6.592
  317    HA   THR  45           HA       THR  45 130.399  -5.601  -8.779
  318    HB   THR  45           HB       THR  45 130.433  -2.974  -7.466
  319    HG1  THR  45           HG1      THR  45 128.345  -3.248  -7.017
  320   1HG2  THR  45          HG21      THR  45 130.643  -4.025 -10.101
  321   2HG2  THR  45          HG22      THR  45 130.964  -2.390  -9.520
  322   3HG2  THR  45          HG23      THR  45 129.341  -2.837 -10.048
  323    H    ASN  46           HN       ASN  46 132.264  -6.599  -8.227
  324    HA   ASN  46           HA       ASN  46 133.640  -6.047  -5.772
  325   1HB   ASN  46          HB2       ASN  46 133.827  -8.251  -6.754
  326   2HB   ASN  46          HB1       ASN  46 134.451  -7.574  -8.254
  327   1HD2  ASN  46          HD21      ASN  46 135.150  -7.675  -4.783
  328   2HD2  ASN  46          HD22      ASN  46 136.866  -7.774  -4.954
  329    H    GLU  47           HN       GLU  47 133.574  -3.672  -6.244
  330    HA   GLU  47           HA       GLU  47 135.391  -2.652  -8.231
  331   1HB   GLU  47          HB2       GLU  47 133.939  -1.215  -6.003
  332   2HB   GLU  47          HB1       GLU  47 134.751  -0.454  -7.361
  333   1HG   GLU  47          HG2       GLU  47 133.063  -0.874  -8.783
  334   2HG   GLU  47          HG1       GLU  47 132.706  -2.443  -8.067
  335    H    CYS  48           HN       CYS  48 135.476  -3.294  -4.794
  336    HA   CYS  48           HA       CYS  48 137.640  -1.712  -4.060
  337   1HB   CYS  48          HB2       CYS  48 136.676  -4.353  -3.030
  338   2HB   CYS  48          HB1       CYS  48 137.997  -3.470  -2.283
  339    H    LEU  49           HN       LEU  49 137.836  -5.219  -4.312
  340    HA   LEU  49           HA       LEU  49 140.614  -5.361  -4.597
  341   1HB   LEU  49          HB2       LEU  49 138.627  -7.320  -5.747
  342   2HB   LEU  49          HB1       LEU  49 140.297  -7.641  -5.324
  343    HG   LEU  49           HG       LEU  49 138.049  -7.040  -3.404
  344   1HD1  LEU  49          HD11      LEU  49 137.715  -9.239  -3.828
  345   2HD1  LEU  49          HD12      LEU  49 139.009  -9.408  -2.641
  346   3HD1  LEU  49          HD13      LEU  49 139.374  -9.503  -4.364
  347   1HD2  LEU  49          HD21      LEU  49 139.618  -7.274  -1.627
  348   2HD2  LEU  49          HD22      LEU  49 140.263  -6.073  -2.745
  349   3HD2  LEU  49          HD23      LEU  49 140.909  -7.713  -2.745
  350    H    ASP  50           HN       ASP  50 138.301  -4.222  -6.738
  351    HA   ASP  50           HA       ASP  50 139.184  -5.001  -9.200
  352   1HB   ASP  50          HB2       ASP  50 137.116  -3.605  -8.435
  353   2HB   ASP  50          HB1       ASP  50 138.165  -2.235  -8.791
  354    H    ASN  51           HN       ASN  51 140.936  -3.069  -7.019
  355    HA   ASN  51           HA       ASN  51 142.683  -2.226  -9.213
  356   1HB   ASN  51          HB2       ASN  51 142.997  -0.007  -8.066
  357   2HB   ASN  51          HB1       ASN  51 141.394  -0.254  -8.734
  358   1HD2  ASN  51          HD21      ASN  51 142.825   1.120  -6.270
  359   2HD2  ASN  51          HD22      ASN  51 141.656   0.870  -5.023
  360    H    ASN  52           HN       ASN  52 143.746  -0.701  -6.516
  361    HA   ASN  52           HA       ASN  52 145.867  -2.603  -6.045
  362   1HB   ASN  52          HB2       ASN  52 146.697  -0.796  -4.525
  363   2HB   ASN  52          HB1       ASN  52 146.376  -0.217  -6.156
  364   1HD2  ASN  52          HD21      ASN  52 144.903  -0.496  -2.964
  365   2HD2  ASN  52          HD22      ASN  52 143.912   0.904  -3.107
  366    H    GLY  53           HN       GLY  53 143.071  -1.265  -4.480
  367   1HA   GLY  53          HA2       GLY  53 142.685  -3.425  -2.697
  368   2HA   GLY  53          HA1       GLY  53 143.444  -2.087  -1.861
  369    H    GLY  54           HN       GLY  54 141.293  -1.500  -4.541
  370   1HA   GLY  54          HA2       GLY  54 139.142  -0.724  -4.666
  371   2HA   GLY  54          HA1       GLY  54 138.958  -1.058  -2.955
  372    H    CYS  55           HN       CYS  55 141.127   0.353  -2.054
  373    HA   CYS  55           HA       CYS  55 140.615   3.134  -2.751
  374   1HB   CYS  55          HB2       CYS  55 140.297   1.794  -0.080
  375   2HB   CYS  55          HB1       CYS  55 140.667   3.501  -0.196
  376    H    SER  56           HN       SER  56 142.542   0.797  -0.883
  377    HA   SER  56           HA       SER  56 144.930   1.846  -1.884
  378   1HB   SER  56          HB2       SER  56 144.011   2.867   0.705
  379   2HB   SER  56          HB1       SER  56 145.655   2.236   0.722
  380    HG   SER  56           HG       SER  56 146.132   4.117  -0.084
  381    H    HIS  57           HN       HIS  57 143.994   0.320   1.190
  382    HA   HIS  57           HA       HIS  57 145.887  -1.837   0.584
  383   1HB   HIS  57          HB2       HIS  57 144.581  -1.121   3.214
  384   2HB   HIS  57          HB1       HIS  57 145.868  -2.298   2.972
  385    HD1  HIS  57           HD1      HIS  57 146.752  -0.315   4.883
  386    HD2  HIS  57           HD2      HIS  57 146.863   0.488   0.809
  387    HE1  HIS  57           HE1      HIS  57 148.387   1.581   4.614
  388    HE2  HIS  57           HE2      HIS  57 148.385   2.099   2.152
  389    H    VAL  58           HN       VAL  58 142.885  -1.731   2.490
  390    HA   VAL  58           HA       VAL  58 141.882  -3.951   0.865
  391    HB   VAL  58           HB       VAL  58 140.844  -4.681   3.231
  392   1HG1  VAL  58          HG11      VAL  58 142.316  -5.898   1.475
  393   2HG1  VAL  58          HG12      VAL  58 142.221  -6.531   3.119
  394   3HG1  VAL  58          HG13      VAL  58 143.624  -5.587   2.617
  395   1HG2  VAL  58          HG21      VAL  58 142.414  -2.764   4.183
  396   2HG2  VAL  58          HG22      VAL  58 143.603  -4.065   4.145
  397   3HG2  VAL  58          HG23      VAL  58 142.117  -4.255   5.075
  398    H    CYS  59           HN       CYS  59 140.066  -3.337   0.000
  399    HA   CYS  59           HA       CYS  59 138.294  -1.542   1.513
  400   1HB   CYS  59          HB2       CYS  59 138.961  -0.292  -0.310
  401   2HB   CYS  59          HB1       CYS  59 139.058  -1.667  -1.384
  402    H    ASN  60           HN       ASN  60 136.320  -2.222   1.989
  403    HA   ASN  60           HA       ASN  60 135.492  -4.862   1.052
  404   1HB   ASN  60          HB2       ASN  60 133.785  -4.708   2.849
  405   2HB   ASN  60          HB1       ASN  60 135.427  -4.509   3.453
  406   1HD2  ASN  60          HD21      ASN  60 133.440  -3.682   5.022
  407   2HD2  ASN  60          HD22      ASN  60 133.354  -1.957   5.065
  408    H    ASP  61           HN       ASP  61 134.178  -5.033  -0.630
  409    HA   ASP  61           HA       ASP  61 132.591  -2.742  -1.464
  410   1HB   ASP  61          HB2       ASP  61 134.009  -4.665  -2.856
  411   2HB   ASP  61          HB1       ASP  61 132.332  -5.153  -3.085
  412    H    LEU  62           HN       LEU  62 130.641  -2.506  -0.666
  413    HA   LEU  62           HA       LEU  62 129.086  -4.850   0.136
  414   1HB   LEU  62          HB2       LEU  62 128.348  -1.949   0.480
  415   2HB   LEU  62          HB1       LEU  62 127.597  -3.323   1.249
  416    HG   LEU  62           HG       LEU  62 130.365  -2.254   1.775
  417   1HD1  LEU  62          HD11      LEU  62 129.574  -1.535   3.822
  418   2HD1  LEU  62          HD12      LEU  62 128.187  -2.623   3.787
  419   3HD1  LEU  62          HD13      LEU  62 128.211  -1.192   2.756
  420   1HD2  LEU  62          HD21      LEU  62 129.064  -4.834   2.529
  421   2HD2  LEU  62          HD22      LEU  62 130.202  -4.067   3.636
  422   3HD2  LEU  62          HD23      LEU  62 130.721  -4.520   2.013
  423    H    LYS  63           HN       LYS  63 126.701  -4.795  -0.371
  424    HA   LYS  63           HA       LYS  63 126.374  -4.737  -3.192
  425   1HB   LYS  63          HB2       LYS  63 124.289  -5.044  -1.026
  426   2HB   LYS  63          HB1       LYS  63 124.058  -5.407  -2.731
  427   1HG   LYS  63          HG2       LYS  63 126.311  -6.771  -1.403
  428   2HG   LYS  63          HG1       LYS  63 124.690  -7.250  -0.895
  429   1HD   LYS  63          HD2       LYS  63 124.295  -7.295  -3.521
  430   2HD   LYS  63          HD1       LYS  63 126.037  -7.576  -3.523
  431   1HE   LYS  63          HE2       LYS  63 125.780  -9.512  -2.121
  432   2HE   LYS  63          HE1       LYS  63 124.061  -9.183  -1.913
  433   1HZ   LYS  63          HZ1       LYS  63 124.989  -9.476  -4.653
  434   2HZ   LYS  63          HZ2       LYS  63 123.564 -10.026  -3.927
  435   3HZ   LYS  63          HZ3       LYS  63 125.007 -10.881  -3.710
  436    H    ILE  64           HN       ILE  64 125.851  -2.416  -0.696
  437    HA   ILE  64           HA       ILE  64 124.438  -0.693  -2.620
  438    HB   ILE  64           HB       ILE  64 123.155  -1.420  -0.538
  439   1HG1  ILE  64          HG12      ILE  64 123.082   1.471  -0.318
  440   2HG1  ILE  64          HG11      ILE  64 123.176   0.960  -2.000
  441   1HG2  ILE  64          HG21      ILE  64 123.775  -0.815   1.535
  442   2HG2  ILE  64          HG22      ILE  64 124.401   0.745   1.006
  443   3HG2  ILE  64          HG23      ILE  64 125.382  -0.709   0.817
  444   1HD1  ILE  64          HD11      ILE  64 121.260  -0.631  -1.416
  445   2HD1  ILE  64          HD12      ILE  64 120.901   1.088  -1.571
  446   3HD1  ILE  64          HD13      ILE  64 121.064   0.361   0.027
  447    H    GLY  65           HN       GLY  65 127.356  -1.002  -2.223
  448   1HA   GLY  65          HA2       GLY  65 128.563   1.174  -2.767
  449   2HA   GLY  65          HA1       GLY  65 128.001   1.682  -1.183
  450    H    TYR  66           HN       TYR  66 130.720   1.149  -2.432
  451    HA   TYR  66           HA       TYR  66 131.717  -0.862  -0.554
  452   1HB   TYR  66          HB2       TYR  66 133.719  -0.942  -1.905
  453   2HB   TYR  66          HB1       TYR  66 132.314  -1.101  -2.949
  454    HD1  TYR  66           HD1      TYR  66 132.249   0.147  -4.892
  455    HD2  TYR  66           HD2      TYR  66 134.619   1.544  -1.643
  456    HE1  TYR  66           HE1      TYR  66 133.072   1.993  -6.290
  457    HE2  TYR  66           HE2      TYR  66 135.446   3.394  -3.035
  458    HH   TYR  66           HH       TYR  66 135.717   3.940  -5.400
  459    H    GLU  67           HN       GLU  67 133.330  -0.437   0.927
  460    HA   GLU  67           HA       GLU  67 134.061   2.394   1.276
  461   1HB   GLU  67          HB2       GLU  67 134.213   1.166   3.810
  462   2HB   GLU  67          HB1       GLU  67 133.097   2.416   3.287
  463   1HG   GLU  67          HG2       GLU  67 132.606  -0.533   2.952
  464   2HG   GLU  67          HG1       GLU  67 132.025   0.424   4.314
  465    H    CYS  68           HN       CYS  68 136.058   2.671   2.612
  466    HA   CYS  68           HA       CYS  68 138.026   0.682   1.753
  467   1HB   CYS  68          HB2       CYS  68 138.827   3.265   3.014
  468   2HB   CYS  68          HB1       CYS  68 139.599   2.365   1.713
  469    H    LEU  69           HN       LEU  69 139.342  -0.406   3.138
  470    HA   LEU  69           HA       LEU  69 138.800  -0.052   6.014
  471   1HB   LEU  69          HB2       LEU  69 139.819  -2.624   4.879
  472   2HB   LEU  69          HB1       LEU  69 138.917  -2.346   6.354
  473    HG   LEU  69           HG       LEU  69 137.842  -2.344   3.537
  474   1HD1  LEU  69          HD11      LEU  69 138.012  -4.300   5.668
  475   2HD1  LEU  69          HD12      LEU  69 137.572  -4.508   3.973
  476   3HD1  LEU  69          HD13      LEU  69 136.349  -4.027   5.149
  477   1HD2  LEU  69          HD21      LEU  69 135.743  -2.184   5.407
  478   2HD2  LEU  69          HD22      LEU  69 136.214  -0.988   4.200
  479   3HD2  LEU  69          HD23      LEU  69 136.890  -0.911   5.827
  480    H    CYS  70           HN       CYS  70 140.607  -0.776   7.441
  481    HA   CYS  70           HA       CYS  70 143.260  -0.875   6.373
  482   1HB   CYS  70          HB2       CYS  70 142.371   1.643   6.466
  483   2HB   CYS  70          HB1       CYS  70 142.883   1.491   8.142
  484    HA   PRO  71           HA       PRO  71 143.912  -3.282  10.032
  485   1HB   PRO  71          HB2       PRO  71 146.496  -2.194  10.540
  486   2HB   PRO  71          HB1       PRO  71 146.109  -3.716   9.739
  487   1HG   PRO  71          HG2       PRO  71 146.782  -1.080   8.565
  488   2HG   PRO  71          HG1       PRO  71 147.050  -2.707   7.913
  489   1HD   PRO  71          HD2       PRO  71 145.148  -1.102   6.922
  490   2HD   PRO  71          HD1       PRO  71 144.892  -2.854   7.065
  491    H    ASP  72           HN       ASP  72 144.303  -3.028  12.331
  492    HA   ASP  72           HA       ASP  72 142.970  -0.859  13.453
  493   1HB   ASP  72          HB2       ASP  72 143.578  -3.225  14.418
  494   2HB   ASP  72          HB1       ASP  72 144.989  -2.383  15.056
  495    H    GLY  73           HN       GLY  73 143.655   0.895  14.698
  496   1HA   GLY  73          HA2       GLY  73 145.001   2.658  15.304
  497   2HA   GLY  73          HA1       GLY  73 146.377   1.591  15.086
  498    H    PHE  74           HN       PHE  74 144.307   1.956  12.361
  499    HA   PHE  74           HA       PHE  74 146.156   3.938  11.210
  500   1HB   PHE  74          HB2       PHE  74 145.079   1.438   9.905
  501   2HB   PHE  74          HB1       PHE  74 145.850   2.742   9.012
  502    HD1  PHE  74           HD1      PHE  74 146.353  -0.176  11.058
  503    HD2  PHE  74           HD2      PHE  74 148.239   3.287   9.461
  504    HE1  PHE  74           HE1      PHE  74 148.556  -1.182  11.491
  505    HE2  PHE  74           HE2      PHE  74 150.446   2.288   9.889
  506    HZ   PHE  74           HZ       PHE  74 150.607   0.050  10.906
  507    H    GLN  75           HN       GLN  75 145.298   5.467   9.874
  508    HA   GLN  75           HA       GLN  75 142.359   5.566   9.757
  509   1HB   GLN  75          HB2       GLN  75 144.458   7.683  10.041
  510   2HB   GLN  75          HB1       GLN  75 142.924   8.092   9.286
  511   1HG   GLN  75          HG2       GLN  75 141.864   7.041  11.386
  512   2HG   GLN  75          HG1       GLN  75 143.469   7.225  12.094
  513   1HE2  GLN  75          HE21      GLN  75 144.254   9.606  10.951
  514   2HE2  GLN  75          HE22      GLN  75 143.254  10.882  11.545
  515    H    LEU  76           HN       LEU  76 141.462   6.696   7.822
  516    HA   LEU  76           HA       LEU  76 143.038   5.981   5.447
  517   1HB   LEU  76          HB2       LEU  76 141.003   4.684   5.666
  518   2HB   LEU  76          HB1       LEU  76 140.052   6.148   5.830
  519    HG   LEU  76           HG       LEU  76 141.276   6.542   3.407
  520   1HD1  LEU  76          HD11      LEU  76 140.780   3.604   3.785
  521   2HD1  LEU  76          HD12      LEU  76 142.232   4.405   3.186
  522   3HD1  LEU  76          HD13      LEU  76 140.772   4.370   2.197
  523   1HD2  LEU  76          HD21      LEU  76 138.607   5.496   4.246
  524   2HD2  LEU  76          HD22      LEU  76 139.002   5.628   2.532
  525   3HD2  LEU  76          HD23      LEU  76 139.034   7.062   3.558
  526    H    VAL  77           HN       VAL  77 143.930   7.715   4.458
  527    HA   VAL  77           HA       VAL  77 142.636  10.302   4.696
  528    HB   VAL  77           HB       VAL  77 145.320   9.698   3.475
  529   1HG1  VAL  77          HG11      VAL  77 143.786  12.148   4.090
  530   2HG1  VAL  77          HG12      VAL  77 144.952  11.829   2.807
  531   3HG1  VAL  77          HG13      VAL  77 145.514  12.188   4.440
  532   1HG2  VAL  77          HG21      VAL  77 144.717  10.526   6.312
  533   2HG2  VAL  77          HG22      VAL  77 146.314  10.285   5.607
  534   3HG2  VAL  77          HG23      VAL  77 145.224   8.914   5.806
  535    H    ALA  78           HN       ALA  78 141.958  11.526   3.010
  536    HA   ALA  78           HA       ALA  78 141.321  12.116   0.899
  537   1HB   ALA  78          HB1       ALA  78 143.690  10.990   0.421
  538   2HB   ALA  78          HB2       ALA  78 142.624  11.556  -0.866
  539   3HB   ALA  78          HB3       ALA  78 142.661   9.845  -0.440
  540    H    GLN  79           HN       GLN  79 140.163   9.751   2.574
  541    HA   GLN  79           HA       GLN  79 138.249   8.532   2.461
  542   1HB   GLN  79          HB2       GLN  79 137.883   9.483  -0.375
  543   2HB   GLN  79          HB1       GLN  79 136.650   8.929   0.749
  544   1HG   GLN  79          HG2       GLN  79 138.099  11.185   1.813
  545   2HG   GLN  79          HG1       GLN  79 137.401  11.551   0.236
  546   1HE2  GLN  79          HE21      GLN  79 136.835  11.827   3.388
  547   2HE2  GLN  79          HE22      GLN  79 135.110  11.740   3.418
  548    H    ARG  80           HN       ARG  80 140.978   7.818   0.975
  549    HA   ARG  80           HA       ARG  80 140.092   5.153   0.321
  550   1HB   ARG  80          HB2       ARG  80 141.264   6.950  -1.787
  551   2HB   ARG  80          HB1       ARG  80 141.317   5.203  -1.907
  552   1HG   ARG  80          HG2       ARG  80 138.681   5.624  -1.399
  553   2HG   ARG  80          HG1       ARG  80 139.095   7.054  -2.346
  554   1HD   ARG  80          HD2       ARG  80 140.330   4.887  -3.635
  555   2HD   ARG  80          HD1       ARG  80 138.710   4.335  -3.211
  556    HE   ARG  80           HE       ARG  80 138.387   6.836  -4.320
  557   1HH1  ARG  80          HH11      ARG  80 139.696   3.767  -5.344
  558   2HH1  ARG  80          HH12      ARG  80 139.300   4.013  -7.011
  559   1HH2  ARG  80          HH21      ARG  80 137.864   7.160  -6.512
  560   2HH2  ARG  80          HH22      ARG  80 138.260   5.940  -7.675
  561    H    ARG  81           HN       ARG  81 142.707   7.448   0.757
  562    HA   ARG  81           HA       ARG  81 144.738   5.407   0.718
  563   1HB   ARG  81          HB2       ARG  81 144.873   7.990   0.134
  564   2HB   ARG  81          HB1       ARG  81 145.265   8.104   1.844
  565   1HG   ARG  81          HG2       ARG  81 147.369   7.757   1.202
  566   2HG   ARG  81          HG1       ARG  81 146.891   6.069   1.012
  567   1HD   ARG  81          HD2       ARG  81 146.076   7.125  -1.355
  568   2HD   ARG  81          HD1       ARG  81 147.502   8.105  -1.015
  569    HE   ARG  81           HE       ARG  81 148.378   5.586  -0.583
  570   1HH1  ARG  81          HH11      ARG  81 146.707   7.097  -3.250
  571   2HH1  ARG  81          HH12      ARG  81 147.409   6.056  -4.442
  572   1HH2  ARG  81          HH21      ARG  81 149.303   4.218  -2.150
  573   2HH2  ARG  81          HH22      ARG  81 148.883   4.421  -3.818
  574    H    CYS  82           HN       CYS  82 146.181   5.006   2.515
  575    HA   CYS  82           HA       CYS  82 144.710   5.010   5.057
  576   1HB   CYS  82          HB2       CYS  82 146.549   3.078   3.765
  577   2HB   CYS  82          HB1       CYS  82 146.624   3.202   5.518
  578    H    GLU  83           HN       GLU  83 145.339   6.766   6.182
  579    HA   GLU  83           HA       GLU  83 147.957   6.867   7.266
  580   1HB   GLU  83          HB2       GLU  83 147.313   8.629   4.961
  581   2HB   GLU  83          HB1       GLU  83 148.189   9.353   6.301
  582   1HG   GLU  83          HG2       GLU  83 149.590   7.057   5.928
  583   2HG   GLU  83          HG1       GLU  83 149.077   7.426   4.283
  Start of MODEL    8
    1   1H    GLY   1           HT1      GLY   1 112.630  13.685  25.325
    2   2H    GLY   1           HT2      GLY   1 111.208  14.019  24.472
    3   3H    GLY   1           HT3      GLY   1 111.800  15.135  25.597
    4   1HA   GLY   1          HA1       GLY   1 112.243  15.812  23.291
    5   2HA   GLY   1          HA2       GLY   1 113.698  15.617  24.256
    6    H    ASN   2           HN       ASN   2 111.905  14.516  21.536
    7    HA   ASN   2           HA       ASN   2 114.142  12.751  20.819
    8   1HB   ASN   2          HB2       ASN   2 111.207  12.126  20.779
    9   2HB   ASN   2          HB1       ASN   2 112.293  11.343  19.635
   10   1HD2  ASN   2          HD21      ASN   2 113.887   9.942  20.406
   11   2HD2  ASN   2          HD22      ASN   2 113.796   9.244  21.984
   12    H    VAL   3           HN       VAL   3 114.544  12.541  18.575
   13    HA   VAL   3           HA       VAL   3 113.702  14.876  17.052
   14    HB   VAL   3           HB       VAL   3 115.403  14.051  15.383
   15   1HG1  VAL   3          HG11      VAL   3 117.104  15.134  16.464
   16   2HG1  VAL   3          HG12      VAL   3 116.782  14.336  18.005
   17   3HG1  VAL   3          HG13      VAL   3 115.737  15.645  17.454
   18   1HG2  VAL   3          HG21      VAL   3 116.253  12.184  17.585
   19   2HG2  VAL   3          HG22      VAL   3 116.906  12.308  15.952
   20   3HG2  VAL   3          HG23      VAL   3 115.281  11.669  16.207
   21    H    THR   4           HN       THR   4 112.528  14.824  15.188
   22    HA   THR   4           HA       THR   4 111.535  12.193  14.308
   23    HB   THR   4           HB       THR   4 109.408  13.439  13.689
   24    HG1  THR   4           HG1      THR   4 109.539  15.510  13.932
   25   1HG2  THR   4          HG21      THR   4 108.492  12.670  15.549
   26   2HG2  THR   4          HG22      THR   4 109.388  13.815  16.547
   27   3HG2  THR   4          HG23      THR   4 110.121  12.277  16.096
   28    H    LEU   5           HN       LEU   5 111.503  11.793  12.164
   29    HA   LEU   5           HA       LEU   5 111.256  13.403  10.017
   30   1HB   LEU   5          HB2       LEU   5 113.884  13.805  11.255
   31   2HB   LEU   5          HB1       LEU   5 113.968  13.420   9.547
   32    HG   LEU   5           HG       LEU   5 112.059  15.543  10.381
   33   1HD1  LEU   5          HD11      LEU   5 114.347  15.829  11.568
   34   2HD1  LEU   5          HD12      LEU   5 113.636  17.196  10.711
   35   3HD1  LEU   5          HD13      LEU   5 114.928  16.259   9.960
   36   1HD2  LEU   5          HD21      LEU   5 112.354  16.322   8.234
   37   2HD2  LEU   5          HD22      LEU   5 112.564  14.585   8.009
   38   3HD2  LEU   5          HD23      LEU   5 113.975  15.641   8.094
   39    H    CYS   6           HN       CYS   6 114.282  11.616  10.252
   40    HA   CYS   6           HA       CYS   6 113.474   9.047   9.681
   41   1HB   CYS   6          HB2       CYS   6 112.397   9.889   7.660
   42   2HB   CYS   6          HB1       CYS   6 113.892  10.670   7.156
   43    H    GLU   7           HN       GLU   7 115.419   9.540  11.187
   44    HA   GLU   7           HA       GLU   7 117.842   8.964   9.643
   45   1HB   GLU   7          HB2       GLU   7 117.639  11.430  10.401
   46   2HB   GLU   7          HB1       GLU   7 117.961  10.806  12.013
   47   1HG   GLU   7          HG2       GLU   7 120.097   9.993  11.360
   48   2HG   GLU   7          HG1       GLU   7 119.763  10.318   9.659
   49    H    GLY   8           HN       GLY   8 118.931   7.272  10.412
   50   1HA   GLY   8          HA2       GLY   8 118.997   6.666  13.236
   51   2HA   GLY   8          HA1       GLY   8 118.074   5.515  12.284
   52    HA   PRO   9           HA       PRO   9 122.812   4.691  12.301
   53   1HB   PRO   9          HB2       PRO   9 122.688   2.370  13.771
   54   2HB   PRO   9          HB1       PRO   9 123.074   3.955  14.446
   55   1HG   PRO   9          HG2       PRO   9 120.475   2.478  14.444
   56   2HG   PRO   9          HG1       PRO   9 121.221   3.435  15.737
   57   1HD   PRO   9          HD2       PRO   9 119.221   4.409  14.228
   58   2HD   PRO   9          HD1       PRO   9 120.537   5.445  14.818
   59    H    ASN  10           HN       ASN  10 120.298   2.161  12.493
   60    HA   ASN  10           HA       ASN  10 121.457   0.910  10.106
   61   1HB   ASN  10          HB2       ASN  10 119.930  -1.015  10.756
   62   2HB   ASN  10          HB1       ASN  10 121.241  -0.662  11.877
   63   1HD2  ASN  10          HD21      ASN  10 117.876  -0.907  11.445
   64   2HD2  ASN  10          HD22      ASN  10 117.401  -0.448  13.041
   65    H    LYS  11           HN       LYS  11 119.879   3.320   9.937
   66    HA   LYS  11           HA       LYS  11 117.366   2.398   8.749
   67   1HB   LYS  11          HB2       LYS  11 117.647   4.418  10.394
   68   2HB   LYS  11          HB1       LYS  11 118.156   5.281   8.950
   69   1HG   LYS  11          HG2       LYS  11 115.800   3.946   8.242
   70   2HG   LYS  11          HG1       LYS  11 115.512   4.619   9.847
   71   1HD   LYS  11          HD2       LYS  11 114.859   6.220   8.149
   72   2HD   LYS  11          HD1       LYS  11 116.264   6.820   9.033
   73   1HE   LYS  11          HE2       LYS  11 117.570   5.621   7.082
   74   2HE   LYS  11          HE1       LYS  11 116.049   5.854   6.224
   75   1HZ   LYS  11          HZ1       LYS  11 116.877   8.218   7.595
   76   2HZ   LYS  11          HZ2       LYS  11 116.481   8.004   5.965
   77   3HZ   LYS  11          HZ3       LYS  11 118.054   7.691   6.499
   78    H    PHE  12           HN       PHE  12 116.713   3.243   6.664
   79    HA   PHE  12           HA       PHE  12 118.876   4.105   4.899
   80   1HB   PHE  12          HB2       PHE  12 118.764   1.614   4.794
   81   2HB   PHE  12          HB1       PHE  12 117.096   1.749   4.249
   82    HD1  PHE  12           HD1      PHE  12 120.501   1.634   3.262
   83    HD2  PHE  12           HD2      PHE  12 116.676   3.094   2.101
   84    HE1  PHE  12           HE1      PHE  12 121.286   1.831   0.939
   85    HE2  PHE  12           HE2      PHE  12 117.453   3.291  -0.225
   86    HZ   PHE  12           HZ       PHE  12 119.760   2.658  -0.808
   87    H    LYS  13           HN       LYS  13 118.216   5.378   3.200
   88    HA   LYS  13           HA       LYS  13 115.349   6.041   3.153
   89   1HB   LYS  13          HB2       LYS  13 116.238   8.201   2.040
   90   2HB   LYS  13          HB1       LYS  13 116.432   8.009   3.777
   91   1HG   LYS  13          HG2       LYS  13 118.741   7.375   3.495
   92   2HG   LYS  13          HG1       LYS  13 118.567   7.416   1.739
   93   1HD   LYS  13          HD2       LYS  13 118.214   9.779   3.582
   94   2HD   LYS  13          HD1       LYS  13 119.658   9.440   2.626
   95   1HE   LYS  13          HE2       LYS  13 118.154   9.475   0.591
   96   2HE   LYS  13          HE1       LYS  13 116.898  10.129   1.643
   97   1HZ   LYS  13          HZ1       LYS  13 118.855  11.793   2.220
   98   2HZ   LYS  13          HZ2       LYS  13 117.801  12.058   0.923
   99   3HZ   LYS  13          HZ3       LYS  13 119.331  11.391   0.647
  100    H    CYS  14           HN       CYS  14 114.247   5.512   1.384
  101    HA   CYS  14           HA       CYS  14 115.441   4.231  -0.824
  102   1HB   CYS  14          HB2       CYS  14 112.702   5.501  -0.795
  103   2HB   CYS  14          HB1       CYS  14 113.248   4.145  -1.777
  104    H    HIS  15           HN       HIS  15 114.455   5.138  -3.120
  105    HA   HIS  15           HA       HIS  15 116.066   7.468  -3.631
  106   1HB   HIS  15          HB2       HIS  15 115.838   5.468  -5.179
  107   2HB   HIS  15          HB1       HIS  15 114.230   6.068  -5.577
  108    HD1  HIS  15           HD1      HIS  15 117.466   8.035  -5.247
  109    HD2  HIS  15           HD2      HIS  15 114.572   7.080  -8.072
  110    HE1  HIS  15           HE1      HIS  15 118.063   9.365  -7.297
  111    HE2  HIS  15           HE2      HIS  15 116.250   8.835  -8.964
  112    H    SER  16           HN       SER  16 112.638   6.696  -3.485
  113    HA   SER  16           HA       SER  16 111.774   9.248  -4.455
  114   1HB   SER  16          HB2       SER  16 110.493   6.992  -4.475
  115   2HB   SER  16          HB1       SER  16 110.058   7.401  -2.816
  116    HG   SER  16           HG       SER  16 108.699   8.128  -4.774
  117    H    GLY  17           HN       GLY  17 113.143   8.307  -1.556
  118   1HA   GLY  17          HA2       GLY  17 113.611   9.913   0.142
  119   2HA   GLY  17          HA1       GLY  17 112.106  10.725  -0.254
  120    H    GLU  18           HN       GLU  18 112.206   7.266   0.083
  121    HA   GLU  18           HA       GLU  18 110.395   7.457   2.352
  122   1HB   GLU  18          HB2       GLU  18 110.976   5.486   0.262
  123   2HB   GLU  18          HB1       GLU  18 110.737   4.771   1.850
  124   1HG   GLU  18          HG2       GLU  18 108.800   6.714   0.635
  125   2HG   GLU  18          HG1       GLU  18 108.696   4.972   0.389
  126    H    CYS  19           HN       CYS  19 110.827   5.220   3.784
  127    HA   CYS  19           HA       CYS  19 113.635   5.261   4.623
  128   1HB   CYS  19          HB2       CYS  19 111.382   5.461   6.620
  129   2HB   CYS  19          HB1       CYS  19 113.109   5.616   6.922
  130    H    ILE  20           HN       ILE  20 114.390   3.250   4.811
  131    HA   ILE  20           HA       ILE  20 112.653   1.128   5.791
  132    HB   ILE  20           HB       ILE  20 113.578  -0.408   4.028
  133   1HG1  ILE  20          HG12      ILE  20 114.069   1.314   1.913
  134   2HG1  ILE  20          HG11      ILE  20 114.904   2.082   3.259
  135   1HG2  ILE  20          HG21      ILE  20 111.305   0.354   3.872
  136   2HG2  ILE  20          HG22      ILE  20 112.017   0.363   2.259
  137   3HG2  ILE  20          HG23      ILE  20 111.821   1.876   3.143
  138   1HD1  ILE  20          HD11      ILE  20 116.584   0.739   2.637
  139   2HD1  ILE  20          HD12      ILE  20 115.513  -0.400   1.820
  140   3HD1  ILE  20          HD13      ILE  20 115.708  -0.473   3.572
  141    H    THR  21           HN       THR  21 114.170  -0.946   5.998
  142    HA   THR  21           HA       THR  21 116.471   0.022   7.492
  143    HB   THR  21           HB       THR  21 116.211  -1.726   8.854
  144    HG1  THR  21           HG1      THR  21 115.709  -3.306   6.561
  145   1HG2  THR  21          HG21      THR  21 113.645  -2.272   7.399
  146   2HG2  THR  21          HG22      THR  21 113.872  -0.960   8.556
  147   3HG2  THR  21          HG23      THR  21 114.032  -2.636   9.081
  148    H    LEU  22           HN       LEU  22 118.554  -0.586   7.157
  149    HA   LEU  22           HA       LEU  22 119.374  -1.026   4.507
  150   1HB   LEU  22          HB2       LEU  22 121.599  -1.067   5.369
  151   2HB   LEU  22          HB1       LEU  22 120.679   0.130   6.256
  152    HG   LEU  22           HG       LEU  22 120.333  -1.812   7.977
  153   1HD1  LEU  22          HD11      LEU  22 122.507  -2.794   6.213
  154   2HD1  LEU  22          HD12      LEU  22 121.283  -3.690   7.112
  155   3HD1  LEU  22          HD13      LEU  22 122.688  -3.031   7.951
  156   1HD2  LEU  22          HD21      LEU  22 121.967  -0.852   9.278
  157   2HD2  LEU  22          HD22      LEU  22 121.725   0.401   8.061
  158   3HD2  LEU  22          HD23      LEU  22 123.099  -0.696   7.935
  159    H    ASP  23           HN       ASP  23 118.666  -3.224   7.093
  160    HA   ASP  23           HA       ASP  23 120.149  -5.426   6.516
  161   1HB   ASP  23          HB2       ASP  23 117.199  -5.460   7.165
  162   2HB   ASP  23          HB1       ASP  23 118.307  -6.811   7.346
  163    H    LYS  24           HN       LYS  24 116.785  -5.157   5.299
  164    HA   LYS  24           HA       LYS  24 117.259  -7.104   3.365
  165   1HB   LYS  24          HB2       LYS  24 114.986  -6.442   2.574
  166   2HB   LYS  24          HB1       LYS  24 115.083  -6.877   4.270
  167   1HG   LYS  24          HG2       LYS  24 113.924  -4.993   4.589
  168   2HG   LYS  24          HG1       LYS  24 115.478  -4.186   4.367
  169   1HD   LYS  24          HD2       LYS  24 114.939  -4.137   1.894
  170   2HD   LYS  24          HD1       LYS  24 113.299  -4.617   2.338
  171   1HE   LYS  24          HE2       LYS  24 113.940  -2.486   4.032
  172   2HE   LYS  24          HE1       LYS  24 114.545  -2.019   2.445
  173   1HZ   LYS  24          HZ1       LYS  24 112.481  -1.834   1.621
  174   2HZ   LYS  24          HZ2       LYS  24 112.021  -1.679   3.241
  175   3HZ   LYS  24          HZ3       LYS  24 111.890  -3.176   2.464
  176    H    VAL  25           HN       VAL  25 118.562  -4.137   3.244
  177    HA   VAL  25           HA       VAL  25 117.774  -3.085   0.767
  178    HB   VAL  25           HB       VAL  25 119.865  -2.542   2.667
  179   1HG1  VAL  25          HG11      VAL  25 121.441  -3.385   1.048
  180   2HG1  VAL  25          HG12      VAL  25 121.553  -1.626   1.122
  181   3HG1  VAL  25          HG13      VAL  25 120.709  -2.400  -0.219
  182   1HG2  VAL  25          HG21      VAL  25 118.184  -1.113   0.720
  183   2HG2  VAL  25          HG22      VAL  25 119.693  -0.320   1.173
  184   3HG2  VAL  25          HG23      VAL  25 118.519  -0.756   2.415
  185    H    CYS  26           HN       CYS  26 118.374  -3.456  -1.310
  186    HA   CYS  26           HA       CYS  26 119.185  -4.548  -3.130
  187   1HB   CYS  26          HB2       CYS  26 121.392  -3.903  -2.280
  188   2HB   CYS  26          HB1       CYS  26 121.428  -5.333  -1.253
  189    H    ASN  27           HN       ASN  27 117.200  -5.825  -1.668
  190    HA   ASN  27           HA       ASN  27 118.004  -8.650  -1.698
  191   1HB   ASN  27          HB2       ASN  27 116.029  -9.087  -0.339
  192   2HB   ASN  27          HB1       ASN  27 117.003  -7.824   0.408
  193   1HD2  ASN  27          HD21      ASN  27 114.024  -8.626   0.261
  194   2HD2  ASN  27          HD22      ASN  27 113.229  -7.112   0.017
  195    H    MET  28           HN       MET  28 117.154 -10.038  -3.125
  196    HA   MET  28           HA       MET  28 116.284  -9.550  -5.553
  197   1HB   MET  28          HB2       MET  28 115.027 -11.685  -5.553
  198   2HB   MET  28          HB1       MET  28 116.609 -11.809  -4.797
  199   1HG   MET  28          HG2       MET  28 115.408 -12.938  -3.257
  200   2HG   MET  28          HG1       MET  28 115.184 -11.310  -2.618
  201   1HE   MET  28          HE1       MET  28 112.355 -13.645  -5.264
  202   2HE   MET  28          HE2       MET  28 112.791 -14.492  -3.780
  203   3HE   MET  28          HE3       MET  28 114.051 -13.961  -4.894
  204    H    ALA  29           HN       ALA  29 114.064  -9.470  -2.776
  205    HA   ALA  29           HA       ALA  29 111.791  -8.904  -4.460
  206   1HB   ALA  29          HB1       ALA  29 112.247  -9.355  -1.571
  207   2HB   ALA  29          HB2       ALA  29 111.023 -10.028  -2.648
  208   3HB   ALA  29          HB3       ALA  29 110.843  -8.389  -2.022
  209    H    ARG  30           HN       ARG  30 110.488  -6.989  -4.288
  210    HA   ARG  30           HA       ARG  30 111.871  -4.615  -4.680
  211   1HB   ARG  30          HB2       ARG  30 109.004  -5.229  -4.042
  212   2HB   ARG  30          HB1       ARG  30 109.549  -3.563  -4.171
  213   1HG   ARG  30          HG2       ARG  30 110.409  -5.211  -6.408
  214   2HG   ARG  30          HG1       ARG  30 108.655  -5.138  -6.233
  215   1HD   ARG  30          HD2       ARG  30 110.399  -2.688  -6.205
  216   2HD   ARG  30          HD1       ARG  30 109.723  -3.358  -7.689
  217    HE   ARG  30           HE       ARG  30 107.748  -2.894  -5.665
  218   1HH1  ARG  30          HH11      ARG  30 109.580  -1.408  -8.236
  219   2HH1  ARG  30          HH12      ARG  30 108.416  -0.157  -8.512
  220   1HH2  ARG  30          HH21      ARG  30 106.215  -1.248  -6.026
  221   2HH2  ARG  30          HH22      ARG  30 106.506  -0.065  -7.258
  222    H    ASP  31           HN       ASP  31 112.393  -2.876  -3.434
  223    HA   ASP  31           HA       ASP  31 112.334  -3.304  -0.539
  224   1HB   ASP  31          HB2       ASP  31 114.496  -2.800  -1.797
  225   2HB   ASP  31          HB1       ASP  31 113.871  -1.170  -2.019
  226    H    CYS  32           HN       CYS  32 111.833  -0.641  -2.862
  227    HA   CYS  32           HA       CYS  32 109.787   0.436  -1.044
  228   1HB   CYS  32          HB2       CYS  32 111.624   2.232  -2.616
  229   2HB   CYS  32          HB1       CYS  32 110.577   2.650  -1.264
  230    H    ARG  33           HN       ARG  33 109.032   2.622  -2.593
  231    HA   ARG  33           HA       ARG  33 107.227   1.484  -4.387
  232   1HB   ARG  33          HB2       ARG  33 107.500   3.933  -3.281
  233   2HB   ARG  33          HB1       ARG  33 108.048   4.278  -4.916
  234   1HG   ARG  33          HG2       ARG  33 105.408   3.023  -4.195
  235   2HG   ARG  33          HG1       ARG  33 105.658   4.717  -4.622
  236   1HD   ARG  33          HD2       ARG  33 106.256   2.358  -6.403
  237   2HD   ARG  33          HD1       ARG  33 104.826   3.383  -6.516
  238    HE   ARG  33           HE       ARG  33 106.919   5.120  -6.699
  239   1HH1  ARG  33          HH11      ARG  33 105.953   2.256  -8.443
  240   2HH1  ARG  33          HH12      ARG  33 106.663   2.773  -9.935
  241   1HH2  ARG  33          HH21      ARG  33 107.853   5.803  -8.662
  242   2HH2  ARG  33          HH22      ARG  33 107.742   4.786 -10.060
  243    H    ASP  34           HN       ASP  34 110.343   3.065  -4.998
  244    HA   ASP  34           HA       ASP  34 110.215   2.103  -7.778
  245   1HB   ASP  34          HB2       ASP  34 111.525   4.474  -6.503
  246   2HB   ASP  34          HB1       ASP  34 112.209   3.803  -7.981
  247    H    TRP  35           HN       TRP  35 111.287   1.021  -4.989
  248    HA   TRP  35           HA       TRP  35 113.285   0.104  -4.186
  249   1HB   TRP  35          HB2       TRP  35 113.310  -2.137  -4.905
  250   2HB   TRP  35          HB1       TRP  35 111.647  -1.599  -5.087
  251    HD1  TRP  35           HD1      TRP  35 111.525  -0.415  -7.912
  252    HE1  TRP  35           HE1      TRP  35 112.000  -1.836 -10.001
  253    HE3  TRP  35           HE3      TRP  35 114.247  -4.157  -5.744
  254    HZ2  TRP  35           HZ2      TRP  35 113.345  -4.234 -10.646
  255    HZ3  TRP  35           HZ3      TRP  35 115.087  -5.980  -7.165
  256    HH2  TRP  35           HH2      TRP  35 114.644  -6.018  -9.564
  257    H    SER  36           HN       SER  36 114.330   2.171  -5.454
  258    HA   SER  36           HA       SER  36 116.198   1.304  -7.491
  259   1HB   SER  36          HB2       SER  36 115.016   3.708  -6.984
  260   2HB   SER  36          HB1       SER  36 116.600   3.950  -6.249
  261    HG   SER  36           HG       SER  36 117.535   3.810  -8.167
  262    H    ASP  37           HN       ASP  37 116.089   1.178  -4.151
  263    HA   ASP  37           HA       ASP  37 118.807   1.773  -3.539
  264   1HB   ASP  37          HB2       ASP  37 118.266   0.593  -1.372
  265   2HB   ASP  37          HB1       ASP  37 117.225   1.957  -1.767
  266    H    GLU  38           HN       GLU  38 117.413  -0.802  -5.173
  267    HA   GLU  38           HA       GLU  38 119.539  -2.654  -4.343
  268   1HB   GLU  38          HB2       GLU  38 117.142  -3.389  -6.006
  269   2HB   GLU  38          HB1       GLU  38 118.188  -4.448  -5.074
  270   1HG   GLU  38          HG2       GLU  38 117.327  -3.356  -3.005
  271   2HG   GLU  38          HG1       GLU  38 116.170  -2.489  -4.015
  272    HA   PRO  39           HA       PRO  39 120.652  -1.200  -8.665
  273   1HB   PRO  39          HB2       PRO  39 123.189  -0.453  -8.128
  274   2HB   PRO  39          HB1       PRO  39 121.819   0.637  -7.891
  275   1HG   PRO  39          HG2       PRO  39 123.274  -1.036  -5.873
  276   2HG   PRO  39          HG1       PRO  39 122.762   0.659  -5.756
  277   1HD   PRO  39          HD2       PRO  39 121.357  -1.356  -4.624
  278   2HD   PRO  39          HD1       PRO  39 120.578   0.099  -5.279
  279    H    ILE  40           HN       ILE  40 120.660  -3.285  -9.459
  280    HA   ILE  40           HA       ILE  40 122.125  -5.453  -8.609
  281    HB   ILE  40           HB       ILE  40 121.470  -4.830 -11.491
  282   1HG1  ILE  40          HG12      ILE  40 119.830  -6.206  -9.350
  283   2HG1  ILE  40          HG11      ILE  40 119.471  -4.656 -10.102
  284   1HG2  ILE  40          HG21      ILE  40 123.012  -6.661 -11.335
  285   2HG2  ILE  40          HG22      ILE  40 121.413  -7.308 -11.705
  286   3HG2  ILE  40          HG23      ILE  40 122.052  -7.421 -10.065
  287   1HD1  ILE  40          HD11      ILE  40 119.057  -7.390 -11.108
  288   2HD1  ILE  40          HD12      ILE  40 119.570  -6.187 -12.290
  289   3HD1  ILE  40          HD13      ILE  40 118.101  -5.929 -11.349
  290    H    LYS  41           HN       LYS  41 123.186  -2.790 -10.658
  291    HA   LYS  41           HA       LYS  41 125.654  -4.037 -11.397
  292   1HB   LYS  41          HB2       LYS  41 124.546  -2.305 -12.778
  293   2HB   LYS  41          HB1       LYS  41 124.873  -1.120 -11.521
  294   1HG   LYS  41          HG2       LYS  41 127.101  -1.012 -12.005
  295   2HG   LYS  41          HG1       LYS  41 127.158  -2.660 -12.631
  296   1HD   LYS  41          HD2       LYS  41 126.428  -2.041 -14.713
  297   2HD   LYS  41          HD1       LYS  41 125.531  -0.650 -14.100
  298   1HE   LYS  41          HE2       LYS  41 128.526  -0.729 -13.999
  299   2HE   LYS  41          HE1       LYS  41 127.680  -0.236 -15.465
  300   1HZ   LYS  41          HZ1       LYS  41 127.920   1.139 -12.907
  301   2HZ   LYS  41          HZ2       LYS  41 126.436   1.282 -13.705
  302   3HZ   LYS  41          HZ3       LYS  41 127.860   1.772 -14.475
  303    H    GLU  42           HN       GLU  42 124.619  -1.836  -8.856
  304    HA   GLU  42           HA       GLU  42 127.370  -1.553  -7.914
  305   1HB   GLU  42          HB2       GLU  42 124.796  -0.233  -7.060
  306   2HB   GLU  42          HB1       GLU  42 126.331   0.020  -6.244
  307   1HG   GLU  42          HG2       GLU  42 125.931   1.831  -7.759
  308   2HG   GLU  42          HG1       GLU  42 127.282   0.867  -8.352
  309    H    CYS  43           HN       CYS  43 124.988  -3.779  -7.520
  310    HA   CYS  43           HA       CYS  43 125.295  -4.153  -4.659
  311   1HB   CYS  43          HB2       CYS  43 123.568  -5.306  -6.786
  312   2HB   CYS  43          HB1       CYS  43 123.907  -6.320  -5.387
  313    H    GLY  44           HN       GLY  44 125.866  -6.148  -7.568
  314   1HA   GLY  44          HA2       GLY  44 127.649  -7.866  -6.018
  315   2HA   GLY  44          HA1       GLY  44 127.098  -8.154  -7.663
  316    H    THR  45           HN       THR  45 128.564  -5.210  -6.393
  317    HA   THR  45           HA       THR  45 130.577  -5.339  -8.480
  318    HB   THR  45           HB       THR  45 130.682  -3.062  -6.644
  319    HG1  THR  45           HG1      THR  45 128.681  -2.472  -6.721
  320   1HG2  THR  45          HG21      THR  45 130.643  -1.753  -8.638
  321   2HG2  THR  45          HG22      THR  45 130.124  -3.141  -9.596
  322   3HG2  THR  45          HG23      THR  45 131.737  -3.114  -8.885
  323    H    ASN  46           HN       ASN  46 132.783  -5.185  -8.111
  324    HA   ASN  46           HA       ASN  46 133.686  -5.744  -5.366
  325   1HB   ASN  46          HB2       ASN  46 133.718  -7.826  -6.658
  326   2HB   ASN  46          HB1       ASN  46 134.674  -7.048  -7.913
  327   1HD2  ASN  46          HD21      ASN  46 134.755  -7.520  -4.395
  328   2HD2  ASN  46          HD22      ASN  46 136.437  -7.905  -4.315
  329    H    GLU  47           HN       GLU  47 133.529  -3.257  -6.790
  330    HA   GLU  47           HA       GLU  47 135.690  -2.278  -8.083
  331   1HB   GLU  47          HB2       GLU  47 134.160  -0.943  -5.847
  332   2HB   GLU  47          HB1       GLU  47 135.226  -0.102  -6.963
  333   1HG   GLU  47          HG2       GLU  47 133.692  -0.059  -8.578
  334   2HG   GLU  47          HG1       GLU  47 133.215  -1.733  -8.297
  335    H    CYS  48           HN       CYS  48 135.585  -3.187  -4.703
  336    HA   CYS  48           HA       CYS  48 137.842  -1.830  -3.798
  337   1HB   CYS  48          HB2       CYS  48 136.567  -4.406  -2.966
  338   2HB   CYS  48          HB1       CYS  48 137.990  -3.775  -2.152
  339    H    LEU  49           HN       LEU  49 137.798  -5.328  -4.184
  340    HA   LEU  49           HA       LEU  49 140.572  -5.601  -4.504
  341   1HB   LEU  49          HB2       LEU  49 138.213  -7.345  -5.012
  342   2HB   LEU  49          HB1       LEU  49 139.745  -7.823  -5.716
  343    HG   LEU  49           HG       LEU  49 139.412  -7.253  -2.777
  344   1HD1  LEU  49          HD11      LEU  49 138.803  -9.691  -4.356
  345   2HD1  LEU  49          HD12      LEU  49 138.040  -9.067  -2.893
  346   3HD1  LEU  49          HD13      LEU  49 139.597  -9.890  -2.794
  347   1HD2  LEU  49          HD21      LEU  49 141.588  -8.223  -4.538
  348   2HD2  LEU  49          HD22      LEU  49 141.437  -8.974  -2.949
  349   3HD2  LEU  49          HD23      LEU  49 141.661  -7.230  -3.082
  350    H    ASP  50           HN       ASP  50 138.260  -4.380  -6.611
  351    HA   ASP  50           HA       ASP  50 139.059  -5.226  -9.083
  352   1HB   ASP  50          HB2       ASP  50 137.035  -3.832  -8.430
  353   2HB   ASP  50          HB1       ASP  50 138.109  -2.437  -8.530
  354    H    ASN  51           HN       ASN  51 140.940  -3.355  -6.955
  355    HA   ASN  51           HA       ASN  51 142.693  -2.632  -9.187
  356   1HB   ASN  51          HB2       ASN  51 143.148  -0.423  -8.079
  357   2HB   ASN  51          HB1       ASN  51 141.514  -0.589  -8.694
  358   1HD2  ASN  51          HD21      ASN  51 143.073   0.754  -6.310
  359   2HD2  ASN  51          HD22      ASN  51 141.942   0.571  -5.017
  360    H    ASN  52           HN       ASN  52 143.900  -1.146  -6.532
  361    HA   ASN  52           HA       ASN  52 145.915  -3.162  -6.078
  362   1HB   ASN  52          HB2       ASN  52 146.853  -1.398  -4.560
  363   2HB   ASN  52          HB1       ASN  52 146.560  -0.813  -6.193
  364   1HD2  ASN  52          HD21      ASN  52 145.090  -0.984  -2.993
  365   2HD2  ASN  52          HD22      ASN  52 144.175   0.467  -3.144
  366    H    GLY  53           HN       GLY  53 143.243  -1.650  -4.464
  367   1HA   GLY  53          HA2       GLY  53 142.744  -3.789  -2.677
  368   2HA   GLY  53          HA1       GLY  53 143.593  -2.499  -1.853
  369    H    GLY  54           HN       GLY  54 141.470  -1.715  -4.492
  370   1HA   GLY  54          HA2       GLY  54 139.337  -0.866  -4.569
  371   2HA   GLY  54          HA1       GLY  54 139.194  -1.155  -2.847
  372    H    CYS  55           HN       CYS  55 141.441   0.145  -2.017
  373    HA   CYS  55           HA       CYS  55 141.090   2.933  -2.781
  374   1HB   CYS  55          HB2       CYS  55 140.803   1.727  -0.033
  375   2HB   CYS  55          HB1       CYS  55 141.130   3.428  -0.289
  376    H    SER  56           HN       SER  56 142.926   0.487  -0.966
  377    HA   SER  56           HA       SER  56 145.336   1.348  -2.007
  378   1HB   SER  56          HB2       SER  56 144.616   2.493   0.642
  379   2HB   SER  56          HB1       SER  56 146.291   2.021   0.361
  380    HG   SER  56           HG       SER  56 146.487   3.813  -0.695
  381    H    HIS  57           HN       HIS  57 144.180   0.018   1.092
  382    HA   HIS  57           HA       HIS  57 146.017  -2.241   0.647
  383   1HB   HIS  57          HB2       HIS  57 144.909  -1.129   3.228
  384   2HB   HIS  57          HB1       HIS  57 145.939  -2.554   3.105
  385    HD1  HIS  57           HD1      HIS  57 147.157  -0.471   4.776
  386    HD2  HIS  57           HD2      HIS  57 147.470  -0.386   0.634
  387    HE1  HIS  57           HE1      HIS  57 149.142   0.994   4.287
  388    HE2  HIS  57           HE2      HIS  57 149.271   1.094   1.771
  389    H    VAL  58           HN       VAL  58 143.051  -1.725   2.551
  390    HA   VAL  58           HA       VAL  58 141.886  -4.019   1.169
  391    HB   VAL  58           HB       VAL  58 140.857  -4.467   3.618
  392   1HG1  VAL  58          HG11      VAL  58 142.184  -5.929   1.918
  393   2HG1  VAL  58          HG12      VAL  58 142.053  -6.432   3.604
  394   3HG1  VAL  58          HG13      VAL  58 143.529  -5.656   3.027
  395   1HG2  VAL  58          HG21      VAL  58 143.678  -4.038   4.416
  396   2HG2  VAL  58          HG22      VAL  58 142.204  -3.972   5.381
  397   3HG2  VAL  58          HG23      VAL  58 142.638  -2.617   4.339
  398    H    CYS  59           HN       CYS  59 140.153  -3.306   0.248
  399    HA   CYS  59           HA       CYS  59 138.520  -1.276   1.604
  400   1HB   CYS  59          HB2       CYS  59 139.174  -0.269  -0.350
  401   2HB   CYS  59          HB1       CYS  59 139.247  -1.761  -1.255
  402    H    ASN  60           HN       ASN  60 136.473  -1.706   2.119
  403    HA   ASN  60           HA       ASN  60 135.482  -4.404   1.612
  404   1HB   ASN  60          HB2       ASN  60 135.373  -2.662   3.817
  405   2HB   ASN  60          HB1       ASN  60 133.718  -2.785   3.231
  406   1HD2  ASN  60          HD21      ASN  60 134.108  -3.726   5.644
  407   2HD2  ASN  60          HD22      ASN  60 134.136  -5.453   5.673
  408    H    ASP  61           HN       ASP  61 134.315  -4.691  -0.177
  409    HA   ASP  61           HA       ASP  61 132.780  -2.489  -1.289
  410   1HB   ASP  61          HB2       ASP  61 134.171  -4.630  -2.407
  411   2HB   ASP  61          HB1       ASP  61 132.476  -5.024  -2.671
  412    H    LEU  62           HN       LEU  62 130.844  -2.128  -0.507
  413    HA   LEU  62           HA       LEU  62 129.207  -4.364   0.437
  414   1HB   LEU  62          HB2       LEU  62 128.395  -1.488   0.635
  415   2HB   LEU  62          HB1       LEU  62 127.927  -2.832   1.645
  416    HG   LEU  62           HG       LEU  62 130.554  -1.364   1.660
  417   1HD1  LEU  62          HD11      LEU  62 129.847  -0.400   3.552
  418   2HD1  LEU  62          HD12      LEU  62 129.098  -1.881   4.144
  419   3HD1  LEU  62          HD13      LEU  62 128.237  -0.856   2.998
  420   1HD2  LEU  62          HD21      LEU  62 131.001  -3.022   3.603
  421   2HD2  LEU  62          HD22      LEU  62 131.308  -3.532   1.943
  422   3HD2  LEU  62          HD23      LEU  62 129.835  -4.047   2.766
  423    H    LYS  63           HN       LYS  63 126.912  -4.418  -0.118
  424    HA   LYS  63           HA       LYS  63 126.515  -4.405  -2.904
  425   1HB   LYS  63          HB2       LYS  63 124.866  -4.943  -0.505
  426   2HB   LYS  63          HB1       LYS  63 123.985  -4.529  -1.969
  427   1HG   LYS  63          HG2       LYS  63 124.086  -6.746  -2.321
  428   2HG   LYS  63          HG1       LYS  63 125.684  -6.359  -2.959
  429   1HD   LYS  63          HD2       LYS  63 126.407  -7.906  -1.498
  430   2HD   LYS  63          HD1       LYS  63 126.210  -6.625  -0.300
  431   1HE   LYS  63          HE2       LYS  63 123.887  -8.367  -1.004
  432   2HE   LYS  63          HE1       LYS  63 125.132  -8.974   0.088
  433   1HZ   LYS  63          HZ1       LYS  63 123.361  -6.633   0.462
  434   2HZ   LYS  63          HZ2       LYS  63 124.758  -6.858   1.389
  435   3HZ   LYS  63          HZ3       LYS  63 123.512  -8.000   1.448
  436    H    ILE  64           HN       ILE  64 126.072  -1.965  -0.497
  437    HA   ILE  64           HA       ILE  64 124.733  -0.266  -2.494
  438    HB   ILE  64           HB       ILE  64 123.340  -0.820  -0.499
  439   1HG1  ILE  64          HG12      ILE  64 123.313   1.924   0.033
  440   2HG1  ILE  64          HG11      ILE  64 123.925   1.794  -1.614
  441   1HG2  ILE  64          HG21      ILE  64 125.653  -0.328   0.925
  442   2HG2  ILE  64          HG22      ILE  64 124.037  -0.550   1.597
  443   3HG2  ILE  64          HG23      ILE  64 124.642   1.074   1.271
  444   1HD1  ILE  64          HD11      ILE  64 121.975   0.509  -2.257
  445   2HD1  ILE  64          HD12      ILE  64 121.502   2.055  -1.550
  446   3HD1  ILE  64          HD13      ILE  64 121.369   0.573  -0.602
  447    H    GLY  65           HN       GLY  65 127.645  -0.648  -2.056
  448   1HA   GLY  65          HA2       GLY  65 128.914   1.476  -2.668
  449   2HA   GLY  65          HA1       GLY  65 128.358   2.052  -1.107
  450    H    TYR  66           HN       TYR  66 131.052   1.340  -2.384
  451    HA   TYR  66           HA       TYR  66 132.020  -0.583  -0.406
  452   1HB   TYR  66          HB2       TYR  66 134.020  -0.756  -1.763
  453   2HB   TYR  66          HB1       TYR  66 132.604  -0.956  -2.787
  454    HD1  TYR  66           HD1      TYR  66 132.455   0.265  -4.755
  455    HD2  TYR  66           HD2      TYR  66 135.012   1.666  -1.657
  456    HE1  TYR  66           HE1      TYR  66 133.280   2.037  -6.246
  457    HE2  TYR  66           HE2      TYR  66 135.843   3.443  -3.139
  458    HH   TYR  66           HH       TYR  66 135.495   3.444  -6.382
  459    H    GLU  67           HN       GLU  67 133.657  -0.117   1.040
  460    HA   GLU  67           HA       GLU  67 134.452   2.711   1.239
  461   1HB   GLU  67          HB2       GLU  67 134.581   1.636   3.835
  462   2HB   GLU  67          HB1       GLU  67 133.471   2.856   3.237
  463   1HG   GLU  67          HG2       GLU  67 132.859  -0.039   2.846
  464   2HG   GLU  67          HG1       GLU  67 132.565   0.728   4.404
  465    H    CYS  68           HN       CYS  68 136.454   2.994   2.608
  466    HA   CYS  68           HA       CYS  68 138.376   0.937   1.816
  467   1HB   CYS  68          HB2       CYS  68 139.139   3.588   2.994
  468   2HB   CYS  68          HB1       CYS  68 140.030   2.583   1.858
  469    H    LEU  69           HN       LEU  69 139.628  -0.168   3.230
  470    HA   LEU  69           HA       LEU  69 139.195   0.347   6.098
  471   1HB   LEU  69          HB2       LEU  69 139.833  -2.382   5.050
  472   2HB   LEU  69          HB1       LEU  69 139.074  -1.931   6.559
  473    HG   LEU  69           HG       LEU  69 137.813  -1.920   3.822
  474   1HD1  LEU  69          HD11      LEU  69 137.820  -3.728   6.133
  475   2HD1  LEU  69          HD12      LEU  69 137.488  -4.055   4.431
  476   3HD1  LEU  69          HD13      LEU  69 136.226  -3.381   5.463
  477   1HD2  LEU  69          HD21      LEU  69 136.057  -0.709   4.561
  478   2HD2  LEU  69          HD22      LEU  69 137.239  -0.061   5.696
  479   3HD2  LEU  69          HD23      LEU  69 136.159  -1.362   6.196
  480    H    CYS  70           HN       CYS  70 140.963  -0.215   7.503
  481    HA   CYS  70           HA       CYS  70 143.544  -0.772   6.303
  482   1HB   CYS  70          HB2       CYS  70 143.149   1.778   7.881
  483   2HB   CYS  70          HB1       CYS  70 144.639   1.219   7.132
  484    HA   PRO  71           HA       PRO  71 144.510  -2.696  10.144
  485   1HB   PRO  71          HB2       PRO  71 146.989  -1.104  10.422
  486   2HB   PRO  71          HB1       PRO  71 146.786  -2.854  10.295
  487   1HG   PRO  71          HG2       PRO  71 147.771  -1.419   8.263
  488   2HG   PRO  71          HG1       PRO  71 146.709  -2.811   7.983
  489   1HD   PRO  71          HD2       PRO  71 146.075   0.110   7.879
  490   2HD   PRO  71          HD1       PRO  71 145.515  -1.203   6.823
  491    H    ASP  72           HN       ASP  72 144.693  -2.367  12.448
  492    HA   ASP  72           HA       ASP  72 143.228  -0.216  13.427
  493   1HB   ASP  72          HB2       ASP  72 145.173  -2.000  14.904
  494   2HB   ASP  72          HB1       ASP  72 143.981  -0.953  15.667
  495    H    GLY  73           HN       GLY  73 143.785   1.616  14.640
  496   1HA   GLY  73          HA2       GLY  73 145.021   3.453  15.226
  497   2HA   GLY  73          HA1       GLY  73 146.430   2.408  15.209
  498    H    PHE  74           HN       PHE  74 144.903   2.334  12.191
  499    HA   PHE  74           HA       PHE  74 146.911   4.216  11.159
  500   1HB   PHE  74          HB2       PHE  74 145.465   1.914   9.871
  501   2HB   PHE  74          HB1       PHE  74 146.316   3.116   8.922
  502    HD1  PHE  74           HD1      PHE  74 147.904   1.648   7.967
  503    HD2  PHE  74           HD2      PHE  74 147.507   1.891  12.196
  504    HE1  PHE  74           HE1      PHE  74 150.005   0.399   8.235
  505    HE2  PHE  74           HE2      PHE  74 149.605   0.645  12.470
  506    HZ   PHE  74           HZ       PHE  74 150.860  -0.104  10.489
  507    H    GLN  75           HN       GLN  75 146.377   5.911   9.895
  508    HA   GLN  75           HA       GLN  75 143.516   6.563   9.717
  509   1HB   GLN  75          HB2       GLN  75 145.821   8.496   9.487
  510   2HB   GLN  75          HB1       GLN  75 144.121   8.876   9.725
  511   1HG   GLN  75          HG2       GLN  75 144.653   9.060  11.876
  512   2HG   GLN  75          HG1       GLN  75 144.655   7.297  11.884
  513   1HE2  GLN  75          HE21      GLN  75 146.382   9.961  12.709
  514   2HE2  GLN  75          HE22      GLN  75 147.967   9.278  12.766
  515    H    LEU  76           HN       LEU  76 142.678   6.179   7.784
  516    HA   LEU  76           HA       LEU  76 144.224   5.911   5.418
  517   1HB   LEU  76          HB2       LEU  76 142.187   4.652   5.687
  518   2HB   LEU  76          HB1       LEU  76 141.251   6.122   5.867
  519    HG   LEU  76           HG       LEU  76 142.528   6.346   3.372
  520   1HD1  LEU  76          HD11      LEU  76 141.536   3.572   3.927
  521   2HD1  LEU  76          HD12      LEU  76 143.041   4.079   3.160
  522   3HD1  LEU  76          HD13      LEU  76 141.510   4.254   2.302
  523   1HD2  LEU  76          HD21      LEU  76 140.459   7.293   3.454
  524   2HD2  LEU  76          HD22      LEU  76 139.770   5.976   4.403
  525   3HD2  LEU  76          HD23      LEU  76 140.039   5.769   2.672
  526    H    VAL  77           HN       VAL  77 145.160   7.606   4.413
  527    HA   VAL  77           HA       VAL  77 143.866  10.194   4.506
  528    HB   VAL  77           HB       VAL  77 145.947  11.113   3.623
  529   1HG1  VAL  77          HG11      VAL  77 145.897   9.450   6.078
  530   2HG1  VAL  77          HG12      VAL  77 146.089  11.193   5.892
  531   3HG1  VAL  77          HG13      VAL  77 147.449  10.116   5.570
  532   1HG2  VAL  77          HG21      VAL  77 146.774   9.422   2.203
  533   2HG2  VAL  77          HG22      VAL  77 146.772   8.225   3.497
  534   3HG2  VAL  77          HG23      VAL  77 147.938   9.546   3.520
  535    H    ALA  78           HN       ALA  78 143.235  11.365   2.774
  536    HA   ALA  78           HA       ALA  78 142.652  11.874   0.619
  537   1HB   ALA  78          HB1       ALA  78 143.971   9.366  -0.366
  538   2HB   ALA  78          HB2       ALA  78 144.903  10.800   0.065
  539   3HB   ALA  78          HB3       ALA  78 143.700  10.884  -1.222
  540    H    GLN  79           HN       GLN  79 141.317   9.814   2.491
  541    HA   GLN  79           HA       GLN  79 139.370   8.660   2.520
  542   1HB   GLN  79          HB2       GLN  79 139.148  10.243   0.017
  543   2HB   GLN  79          HB1       GLN  79 138.017   8.914   0.228
  544   1HG   GLN  79          HG2       GLN  79 138.227  10.525   2.618
  545   2HG   GLN  79          HG1       GLN  79 137.770  11.488   1.214
  546   1HE2  GLN  79          HE21      GLN  79 135.674  11.671   0.960
  547   2HE2  GLN  79          HE22      GLN  79 134.482  10.495   1.384
  548    H    ARG  80           HN       ARG  80 141.936   7.625   1.086
  549    HA   ARG  80           HA       ARG  80 140.813   5.060   0.479
  550   1HB   ARG  80          HB2       ARG  80 141.976   6.727  -1.734
  551   2HB   ARG  80          HB1       ARG  80 141.957   4.977  -1.809
  552   1HG   ARG  80          HG2       ARG  80 139.375   5.444  -1.223
  553   2HG   ARG  80          HG1       ARG  80 139.763   6.908  -2.127
  554   1HD   ARG  80          HD2       ARG  80 140.908   4.728  -3.524
  555   2HD   ARG  80          HD1       ARG  80 139.259   4.269  -3.106
  556    HE   ARG  80           HE       ARG  80 140.062   6.219  -5.028
  557   1HH1  ARG  80          HH11      ARG  80 137.539   5.378  -2.769
  558   2HH1  ARG  80          HH12      ARG  80 136.308   6.238  -3.632
  559   1HH2  ARG  80          HH21      ARG  80 138.445   7.351  -6.164
  560   2HH2  ARG  80          HH22      ARG  80 136.822   7.358  -5.559
  561    H    ARG  81           HN       ARG  81 143.621   7.139   0.781
  562    HA   ARG  81           HA       ARG  81 145.462   4.943   0.606
  563   1HB   ARG  81          HB2       ARG  81 145.819   7.463  -0.007
  564   2HB   ARG  81          HB1       ARG  81 146.259   7.588   1.688
  565   1HG   ARG  81          HG2       ARG  81 148.313   7.117   0.926
  566   2HG   ARG  81          HG1       ARG  81 147.733   5.451   0.973
  567   1HD   ARG  81          HD2       ARG  81 148.383   5.415  -1.179
  568   2HD   ARG  81          HD1       ARG  81 146.845   6.230  -1.463
  569    HE   ARG  81           HE       ARG  81 148.038   8.035  -2.152
  570   1HH1  ARG  81          HH11      ARG  81 150.034   6.214   0.057
  571   2HH1  ARG  81          HH12      ARG  81 151.402   7.261  -0.121
  572   1HH2  ARG  81          HH21      ARG  81 149.837   9.412  -2.387
  573   2HH2  ARG  81          HH22      ARG  81 151.290   9.076  -1.506
  574    H    CYS  82           HN       CYS  82 145.845   3.560   2.151
  575    HA   CYS  82           HA       CYS  82 144.988   3.981   4.835
  576   1HB   CYS  82          HB2       CYS  82 146.526   1.822   3.432
  577   2HB   CYS  82          HB1       CYS  82 146.366   1.805   5.182
  578    H    GLU  83           HN       GLU  83 146.015   5.439   6.075
  579    HA   GLU  83           HA       GLU  83 148.953   5.301   6.178
  580   1HB   GLU  83          HB2       GLU  83 147.612   7.439   5.218
  581   2HB   GLU  83          HB1       GLU  83 147.667   7.861   6.923
  582   1HG   GLU  83          HG2       GLU  83 149.574   8.853   6.122
  583   2HG   GLU  83          HG1       GLU  83 150.190   7.313   6.721
  Start of MODEL    9
    1   1H    GLY   1           HT1      GLY   1 103.630  17.327  23.162
    2   2H    GLY   1           HT2      GLY   1 105.120  16.877  23.825
    3   3H    GLY   1           HT3      GLY   1 104.059  15.692  23.248
    4   1HA   GLY   1          HA1       GLY   1 104.337  17.189  21.055
    5   2HA   GLY   1          HA2       GLY   1 105.915  17.388  21.803
    6    H    ASN   2           HN       ASN   2 103.979  15.416  19.874
    7    HA   ASN   2           HA       ASN   2 105.149  12.887  20.402
    8   1HB   ASN   2          HB2       ASN   2 104.144  12.201  18.268
    9   2HB   ASN   2          HB1       ASN   2 102.997  13.107  19.250
   10   1HD2  ASN   2          HD21      ASN   2 101.992  14.762  18.347
   11   2HD2  ASN   2          HD22      ASN   2 102.429  15.514  16.854
   12    H    VAL   3           HN       VAL   3 106.676  11.723  19.151
   13    HA   VAL   3           HA       VAL   3 108.674  13.462  17.886
   14    HB   VAL   3           HB       VAL   3 109.491  12.139  19.769
   15   1HG1  VAL   3          HG11      VAL   3 108.977  10.001  20.119
   16   2HG1  VAL   3          HG12      VAL   3 109.459   9.541  18.487
   17   3HG1  VAL   3          HG13      VAL   3 107.832  10.149  18.787
   18   1HG2  VAL   3          HG21      VAL   3 110.993  12.666  17.879
   19   2HG2  VAL   3          HG22      VAL   3 110.596  11.105  17.159
   20   3HG2  VAL   3          HG23      VAL   3 111.436  11.174  18.709
   21    H    THR   4           HN       THR   4 108.016  13.623  15.786
   22    HA   THR   4           HA       THR   4 107.697  11.107  14.288
   23    HB   THR   4           HB       THR   4 106.677  13.860  13.563
   24    HG1  THR   4           HG1      THR   4 105.081  13.368  14.804
   25   1HG2  THR   4          HG21      THR   4 105.170  12.291  12.090
   26   2HG2  THR   4          HG22      THR   4 106.585  11.242  12.174
   27   3HG2  THR   4          HG23      THR   4 106.732  12.873  11.517
   28    H    LEU   5           HN       LEU   5 109.307  10.586  12.976
   29    HA   LEU   5           HA       LEU   5 110.555  12.397  11.208
   30   1HB   LEU   5          HB2       LEU   5 112.895  12.052  12.253
   31   2HB   LEU   5          HB1       LEU   5 111.850  13.306  12.891
   32    HG   LEU   5           HG       LEU   5 111.683  10.662  14.215
   33   1HD1  LEU   5          HD11      LEU   5 113.934  12.427  15.031
   34   2HD1  LEU   5          HD12      LEU   5 114.173  11.311  13.686
   35   3HD1  LEU   5          HD13      LEU   5 113.711  10.693  15.272
   36   1HD2  LEU   5          HD21      LEU   5 110.420  12.081  15.418
   37   2HD2  LEU   5          HD22      LEU   5 111.268  13.507  14.821
   38   3HD2  LEU   5          HD23      LEU   5 111.962  12.552  16.132
   39    H    CYS   6           HN       CYS   6 111.774  11.350   9.654
   40    HA   CYS   6           HA       CYS   6 111.647   8.429   9.765
   41   1HB   CYS   6          HB2       CYS   6 111.171  10.335   7.724
   42   2HB   CYS   6          HB1       CYS   6 112.590   9.415   7.237
   43    H    GLU   7           HN       GLU   7 113.607   9.642  11.353
   44    HA   GLU   7           HA       GLU   7 116.037   8.669  10.016
   45   1HB   GLU   7          HB2       GLU   7 115.899  11.207  10.115
   46   2HB   GLU   7          HB1       GLU   7 116.028  11.055  11.861
   47   1HG   GLU   7          HG2       GLU   7 118.138   9.574  11.119
   48   2HG   GLU   7          HG1       GLU   7 118.070  10.705   9.769
   49    H    GLY   8           HN       GLY   8 117.084   7.171  11.155
   50   1HA   GLY   8          HA2       GLY   8 117.297   7.246  14.004
   51   2HA   GLY   8          HA1       GLY   8 116.151   6.024  13.475
   52    HA   PRO   9           HA       PRO   9 120.489   4.245  13.485
   53   1HB   PRO   9          HB2       PRO   9 119.923   2.088  15.033
   54   2HB   PRO   9          HB1       PRO   9 120.422   3.647  15.699
   55   1HG   PRO   9          HG2       PRO   9 117.675   2.486  15.444
   56   2HG   PRO   9          HG1       PRO   9 118.398   3.366  16.803
   57   1HD   PRO   9          HD2       PRO   9 116.709   4.538  15.038
   58   2HD   PRO   9          HD1       PRO   9 118.027   5.423  15.833
   59    H    ASN  10           HN       ASN  10 121.173   2.593  12.184
   60    HA   ASN  10           HA       ASN  10 121.022   1.234  10.350
   61   1HB   ASN  10          HB2       ASN  10 119.930  -0.921  10.824
   62   2HB   ASN  10          HB1       ASN  10 120.907  -0.376  12.183
   63   1HD2  ASN  10          HD21      ASN  10 117.755  -1.126  11.046
   64   2HD2  ASN  10          HD22      ASN  10 116.927  -0.931  12.550
   65    H    LYS  11           HN       LYS  11 119.401   3.415   9.953
   66    HA   LYS  11           HA       LYS  11 116.902   2.331   8.864
   67   1HB   LYS  11          HB2       LYS  11 117.807   5.094   9.608
   68   2HB   LYS  11          HB1       LYS  11 116.460   4.871   8.501
   69   1HG   LYS  11          HG2       LYS  11 116.644   3.888  11.340
   70   2HG   LYS  11          HG1       LYS  11 115.624   5.190  10.728
   71   1HD   LYS  11          HD2       LYS  11 114.580   3.442   9.202
   72   2HD   LYS  11          HD1       LYS  11 115.405   2.239  10.193
   73   1HE   LYS  11          HE2       LYS  11 114.095   2.651  12.028
   74   2HE   LYS  11          HE1       LYS  11 113.774   4.320  11.557
   75   1HZ   LYS  11          HZ1       LYS  11 111.769   3.195  11.232
   76   2HZ   LYS  11          HZ2       LYS  11 112.515   1.852  10.522
   77   3HZ   LYS  11          HZ3       LYS  11 112.426   3.315   9.677
   78    H    PHE  12           HN       PHE  12 116.203   3.110   6.739
   79    HA   PHE  12           HA       PHE  12 118.380   3.844   4.922
   80   1HB   PHE  12          HB2       PHE  12 118.063   1.337   4.936
   81   2HB   PHE  12          HB1       PHE  12 116.441   1.607   4.306
   82    HD1  PHE  12           HD1      PHE  12 116.087   2.270   2.030
   83    HD2  PHE  12           HD2      PHE  12 120.026   1.802   3.570
   84    HE1  PHE  12           HE1      PHE  12 116.985   2.320  -0.261
   85    HE2  PHE  12           HE2      PHE  12 120.931   1.851   1.283
   86    HZ   PHE  12           HZ       PHE  12 119.409   2.110  -0.637
   87    H    LYS  13           HN       LYS  13 117.751   5.127   3.206
   88    HA   LYS  13           HA       LYS  13 114.879   5.758   3.060
   89   1HB   LYS  13          HB2       LYS  13 115.713   8.091   2.336
   90   2HB   LYS  13          HB1       LYS  13 115.748   7.680   4.044
   91   1HG   LYS  13          HG2       LYS  13 118.143   7.118   3.820
   92   2HG   LYS  13          HG1       LYS  13 118.078   7.644   2.136
   93   1HD   LYS  13          HD2       LYS  13 117.377   9.392   4.491
   94   2HD   LYS  13          HD1       LYS  13 118.959   9.367   3.710
   95   1HE   LYS  13          HE2       LYS  13 116.879   9.674   1.747
   96   2HE   LYS  13          HE1       LYS  13 116.720  10.900   3.002
   97   1HZ   LYS  13          HZ1       LYS  13 119.401  10.434   1.964
   98   2HZ   LYS  13          HZ2       LYS  13 118.652  11.882   2.416
   99   3HZ   LYS  13          HZ3       LYS  13 118.307  11.186   0.913
  100    H    CYS  14           HN       CYS  14 114.025   5.270   1.174
  101    HA   CYS  14           HA       CYS  14 115.517   4.469  -1.076
  102   1HB   CYS  14          HB2       CYS  14 112.617   5.263  -0.781
  103   2HB   CYS  14          HB1       CYS  14 113.295   4.640  -2.280
  104    H    HIS  15           HN       HIS  15 114.692   5.579  -3.321
  105    HA   HIS  15           HA       HIS  15 116.015   8.130  -3.330
  106   1HB   HIS  15          HB2       HIS  15 116.014   6.255  -5.159
  107   2HB   HIS  15          HB1       HIS  15 114.536   7.043  -5.700
  108    HD1  HIS  15           HD1      HIS  15 114.836   8.949  -7.259
  109    HD2  HIS  15           HD2      HIS  15 118.300   8.128  -5.117
  110    HE1  HIS  15           HE1      HIS  15 116.594  10.473  -8.215
  111    HE2  HIS  15           HE2      HIS  15 118.703   9.891  -6.967
  112    H    SER  16           HN       SER  16 112.712   6.968  -3.652
  113    HA   SER  16           HA       SER  16 111.623   9.517  -4.365
  114   1HB   SER  16          HB2       SER  16 110.114   7.173  -3.200
  115   2HB   SER  16          HB1       SER  16 109.480   8.467  -4.218
  116    HG   SER  16           HG       SER  16 111.312   6.434  -4.970
  117    H    GLY  17           HN       GLY  17 112.850   8.341  -1.488
  118   1HA   GLY  17          HA2       GLY  17 112.980   9.732   0.441
  119   2HA   GLY  17          HA1       GLY  17 111.430  10.431   0.005
  120    H    GLU  18           HN       GLU  18 112.012   6.987  -0.025
  121    HA   GLU  18           HA       GLU  18 109.917   6.629   1.953
  122   1HB   GLU  18          HB2       GLU  18 110.565   5.237  -0.296
  123   2HB   GLU  18          HB1       GLU  18 111.346   4.254   0.934
  124   1HG   GLU  18          HG2       GLU  18 108.976   4.550   2.104
  125   2HG   GLU  18          HG1       GLU  18 108.474   4.736   0.424
  126    H    CYS  19           HN       CYS  19 110.379   4.667   3.521
  127    HA   CYS  19           HA       CYS  19 113.097   4.822   4.589
  128   1HB   CYS  19          HB2       CYS  19 110.679   5.205   6.356
  129   2HB   CYS  19          HB1       CYS  19 112.372   5.326   6.821
  130    H    ILE  20           HN       ILE  20 113.788   2.785   4.719
  131    HA   ILE  20           HA       ILE  20 112.062   0.777   5.947
  132    HB   ILE  20           HB       ILE  20 112.911  -0.884   4.209
  133   1HG1  ILE  20          HG12      ILE  20 113.495   1.714   2.774
  134   2HG1  ILE  20          HG11      ILE  20 114.647   0.446   3.178
  135   1HG2  ILE  20          HG21      ILE  20 110.604  -0.258   4.273
  136   2HG2  ILE  20          HG22      ILE  20 111.123  -0.252   2.588
  137   3HG2  ILE  20          HG23      ILE  20 110.943   1.270   3.460
  138   1HD1  ILE  20          HD11      ILE  20 112.928  -0.966   1.685
  139   2HD1  ILE  20          HD12      ILE  20 114.323  -0.113   1.026
  140   3HD1  ILE  20          HD13      ILE  20 112.725   0.627   0.958
  141    H    THR  21           HN       THR  21 113.484  -1.342   6.186
  142    HA   THR  21           HA       THR  21 115.720  -0.586   7.781
  143    HB   THR  21           HB       THR  21 114.802  -3.322   6.893
  144    HG1  THR  21           HG1      THR  21 114.227  -1.797   9.209
  145   1HG2  THR  21          HG21      THR  21 116.950  -2.446   8.706
  146   2HG2  THR  21          HG22      THR  21 116.783  -3.930   7.769
  147   3HG2  THR  21          HG23      THR  21 115.909  -3.744   9.289
  148    H    LEU  22           HN       LEU  22 117.896  -1.039   7.472
  149    HA   LEU  22           HA       LEU  22 118.789  -0.900   4.752
  150   1HB   LEU  22          HB2       LEU  22 121.010  -0.726   5.692
  151   2HB   LEU  22          HB1       LEU  22 119.907   0.318   6.570
  152    HG   LEU  22           HG       LEU  22 119.726  -1.646   8.245
  153   1HD1  LEU  22          HD11      LEU  22 122.367  -2.529   8.007
  154   2HD1  LEU  22          HD12      LEU  22 121.684  -2.661   6.386
  155   3HD1  LEU  22          HD13      LEU  22 120.898  -3.468   7.742
  156   1HD2  LEU  22          HD21      LEU  22 120.884   0.616   8.489
  157   2HD2  LEU  22          HD22      LEU  22 122.383  -0.250   8.149
  158   3HD2  LEU  22          HD23      LEU  22 121.415  -0.684   9.557
  159    H    ASP  23           HN       ASP  23 118.623  -3.388   7.220
  160    HA   ASP  23           HA       ASP  23 120.404  -5.248   6.373
  161   1HB   ASP  23          HB2       ASP  23 117.578  -5.825   7.236
  162   2HB   ASP  23          HB1       ASP  23 118.907  -6.976   7.239
  163    H    LYS  24           HN       LYS  24 116.959  -5.371   5.340
  164    HA   LYS  24           HA       LYS  24 117.457  -7.285   3.398
  165   1HB   LYS  24          HB2       LYS  24 115.183  -6.495   2.516
  166   2HB   LYS  24          HB1       LYS  24 115.252  -7.153   4.140
  167   1HG   LYS  24          HG2       LYS  24 113.832  -5.191   4.040
  168   2HG   LYS  24          HG1       LYS  24 115.244  -4.886   5.051
  169   1HD   LYS  24          HD2       LYS  24 116.214  -3.475   3.494
  170   2HD   LYS  24          HD1       LYS  24 115.304  -4.168   2.151
  171   1HE   LYS  24          HE2       LYS  24 114.302  -2.316   4.300
  172   2HE   LYS  24          HE1       LYS  24 114.405  -2.008   2.568
  173   1HZ   LYS  24          HZ1       LYS  24 112.255  -2.594   2.615
  174   2HZ   LYS  24          HZ2       LYS  24 112.389  -3.436   4.075
  175   3HZ   LYS  24          HZ3       LYS  24 112.848  -4.179   2.627
  176    H    VAL  25           HN       VAL  25 118.977  -4.573   3.246
  177    HA   VAL  25           HA       VAL  25 118.272  -3.255   0.896
  178    HB   VAL  25           HB       VAL  25 120.717  -3.431   2.563
  179   1HG1  VAL  25          HG11      VAL  25 121.907  -3.650   0.595
  180   2HG1  VAL  25          HG12      VAL  25 121.870  -1.905   0.850
  181   3HG1  VAL  25          HG13      VAL  25 120.779  -2.649  -0.318
  182   1HG2  VAL  25          HG21      VAL  25 120.319  -1.223   2.967
  183   2HG2  VAL  25          HG22      VAL  25 118.684  -1.739   2.552
  184   3HG2  VAL  25          HG23      VAL  25 119.685  -0.927   1.349
  185    H    CYS  26           HN       CYS  26 118.748  -3.545  -1.220
  186    HA   CYS  26           HA       CYS  26 119.285  -4.616  -3.151
  187   1HB   CYS  26          HB2       CYS  26 121.589  -4.247  -2.341
  188   2HB   CYS  26          HB1       CYS  26 121.531  -5.792  -1.500
  189    H    ASN  27           HN       ASN  27 117.247  -5.806  -1.709
  190    HA   ASN  27           HA       ASN  27 117.680  -8.607  -1.379
  191   1HB   ASN  27          HB2       ASN  27 115.139  -8.657  -1.268
  192   2HB   ASN  27          HB1       ASN  27 115.945  -7.655  -0.067
  193   1HD2  ASN  27          HD21      ASN  27 113.481  -7.030  -0.265
  194   2HD2  ASN  27          HD22      ASN  27 113.194  -5.627  -1.230
  195    H    MET  28           HN       MET  28 115.789  -9.996  -2.581
  196    HA   MET  28           HA       MET  28 116.600  -9.959  -5.355
  197   1HB   MET  28          HB2       MET  28 116.225 -12.021  -3.796
  198   2HB   MET  28          HB1       MET  28 114.536 -11.824  -4.238
  199   1HG   MET  28          HG2       MET  28 114.852 -12.577  -6.331
  200   2HG   MET  28          HG1       MET  28 116.440 -11.826  -6.478
  201   1HE   MET  28          HE1       MET  28 118.287 -12.433  -5.055
  202   2HE   MET  28          HE2       MET  28 118.959 -13.994  -5.527
  203   3HE   MET  28          HE3       MET  28 118.287 -13.776  -3.911
  204    H    ALA  29           HN       ALA  29 113.954  -8.835  -3.484
  205    HA   ALA  29           HA       ALA  29 112.328  -8.459  -5.912
  206   1HB   ALA  29          HB1       ALA  29 110.877  -9.557  -4.546
  207   2HB   ALA  29          HB2       ALA  29 110.560  -7.908  -4.008
  208   3HB   ALA  29          HB3       ALA  29 111.630  -8.950  -3.071
  209    H    ARG  30           HN       ARG  30 110.914  -6.433  -5.784
  210    HA   ARG  30           HA       ARG  30 112.645  -4.173  -5.552
  211   1HB   ARG  30          HB2       ARG  30 109.851  -4.656  -6.441
  212   2HB   ARG  30          HB1       ARG  30 110.262  -3.019  -5.948
  213   1HG   ARG  30          HG2       ARG  30 112.331  -3.923  -7.645
  214   2HG   ARG  30          HG1       ARG  30 110.797  -4.338  -8.414
  215   1HD   ARG  30          HD2       ARG  30 110.977  -1.636  -7.238
  216   2HD   ARG  30          HD1       ARG  30 111.990  -1.935  -8.650
  217    HE   ARG  30           HE       ARG  30 109.552  -2.874  -9.393
  218   1HH1  ARG  30          HH11      ARG  30 110.686   0.173  -8.125
  219   2HH1  ARG  30          HH12      ARG  30 109.472   1.104  -8.934
  220   1HH2  ARG  30          HH21      ARG  30 107.955  -1.651 -10.459
  221   2HH2  ARG  30          HH22      ARG  30 107.920   0.070 -10.260
  222    H    ASP  31           HN       ASP  31 112.989  -2.925  -3.840
  223    HA   ASP  31           HA       ASP  31 111.089  -3.085  -1.596
  224   1HB   ASP  31          HB2       ASP  31 113.749  -3.700  -1.558
  225   2HB   ASP  31          HB1       ASP  31 113.775  -2.017  -1.038
  226    H    CYS  32           HN       CYS  32 112.787  -0.964  -3.766
  227    HA   CYS  32           HA       CYS  32 111.569   1.359  -2.421
  228   1HB   CYS  32          HB2       CYS  32 114.101   1.103  -4.034
  229   2HB   CYS  32          HB1       CYS  32 113.335   2.663  -3.757
  230    H    ARG  33           HN       ARG  33 111.497   3.251  -4.228
  231    HA   ARG  33           HA       ARG  33 109.672   2.201  -6.253
  232   1HB   ARG  33          HB2       ARG  33 110.048   4.809  -4.890
  233   2HB   ARG  33          HB1       ARG  33 109.478   4.869  -6.552
  234   1HG   ARG  33          HG2       ARG  33 107.541   3.612  -6.029
  235   2HG   ARG  33          HG1       ARG  33 108.163   3.194  -4.432
  236   1HD   ARG  33          HD2       ARG  33 107.637   5.217  -3.544
  237   2HD   ARG  33          HD1       ARG  33 107.911   6.075  -5.061
  238    HE   ARG  33           HE       ARG  33 105.435   4.963  -4.120
  239   1HH1  ARG  33          HH11      ARG  33 107.242   5.929  -6.945
  240   2HH1  ARG  33          HH12      ARG  33 105.830   6.179  -7.916
  241   1HH2  ARG  33          HH21      ARG  33 103.577   5.290  -5.396
  242   2HH2  ARG  33          HH22      ARG  33 103.749   5.817  -7.037
  243    H    ASP  34           HN       ASP  34 112.784   3.718  -5.938
  244    HA   ASP  34           HA       ASP  34 113.039   3.712  -8.875
  245   1HB   ASP  34          HB2       ASP  34 114.524   5.575  -7.020
  246   2HB   ASP  34          HB1       ASP  34 114.442   5.647  -8.777
  247    H    TRP  35           HN       TRP  35 113.601   1.478  -7.267
  248    HA   TRP  35           HA       TRP  35 115.233  -0.007  -6.666
  249   1HB   TRP  35          HB2       TRP  35 116.352   1.177  -9.208
  250   2HB   TRP  35          HB1       TRP  35 116.999  -0.269  -8.438
  251    HD1  TRP  35           HD1      TRP  35 113.644   0.963  -9.942
  252    HE1  TRP  35           HE1      TRP  35 112.440  -1.069 -10.965
  253    HE3  TRP  35           HE3      TRP  35 116.929  -2.704  -8.564
  254    HZ2  TRP  35           HZ2      TRP  35 112.831  -3.859 -11.159
  255    HZ3  TRP  35           HZ3      TRP  35 116.440  -5.028  -9.206
  256    HH2  TRP  35           HH2      TRP  35 114.432  -5.592 -10.476
  257    H    SER  36           HN       SER  36 115.515   2.628  -5.439
  258    HA   SER  36           HA       SER  36 118.225   3.435  -5.415
  259   1HB   SER  36          HB2       SER  36 115.898   4.453  -4.391
  260   2HB   SER  36          HB1       SER  36 116.715   3.897  -2.931
  261    HG   SER  36           HG       SER  36 117.660   5.785  -3.141
  262    H    ASP  37           HN       ASP  37 116.439   0.993  -3.687
  263    HA   ASP  37           HA       ASP  37 118.676   0.474  -1.888
  264   1HB   ASP  37          HB2       ASP  37 116.455   0.453  -0.900
  265   2HB   ASP  37          HB1       ASP  37 115.917  -0.758  -2.061
  266    H    GLU  38           HN       GLU  38 117.221  -0.763  -4.778
  267    HA   GLU  38           HA       GLU  38 118.871  -3.188  -4.617
  268   1HB   GLU  38          HB2       GLU  38 116.514  -2.542  -6.392
  269   2HB   GLU  38          HB1       GLU  38 117.435  -4.038  -6.456
  270   1HG   GLU  38          HG2       GLU  38 115.469  -4.469  -5.214
  271   2HG   GLU  38          HG1       GLU  38 116.811  -4.430  -4.071
  272    HA   PRO  39           HA       PRO  39 120.963  -0.467  -7.821
  273   1HB   PRO  39          HB2       PRO  39 123.440  -0.567  -6.761
  274   2HB   PRO  39          HB1       PRO  39 122.248   0.631  -6.245
  275   1HG   PRO  39          HG2       PRO  39 123.028  -1.957  -4.947
  276   2HG   PRO  39          HG1       PRO  39 122.769  -0.367  -4.202
  277   1HD   PRO  39          HD2       PRO  39 120.893  -2.319  -4.157
  278   2HD   PRO  39          HD1       PRO  39 120.480  -0.594  -4.216
  279    H    ILE  40           HN       ILE  40 120.647  -2.185  -9.289
  280    HA   ILE  40           HA       ILE  40 121.737  -4.721  -9.174
  281    HB   ILE  40           HB       ILE  40 121.312  -3.118 -11.690
  282   1HG1  ILE  40          HG12      ILE  40 119.413  -3.536  -9.805
  283   2HG1  ILE  40          HG11      ILE  40 119.071  -3.420 -11.525
  284   1HG2  ILE  40          HG21      ILE  40 120.961  -5.294 -12.750
  285   2HG2  ILE  40          HG22      ILE  40 121.330  -6.096 -11.224
  286   3HG2  ILE  40          HG23      ILE  40 122.576  -5.163 -12.053
  287   1HD1  ILE  40          HD11      ILE  40 117.915  -5.298 -10.518
  288   2HD1  ILE  40          HD12      ILE  40 119.450  -5.964  -9.961
  289   3HD1  ILE  40          HD13      ILE  40 119.110  -5.858 -11.689
  290    H    LYS  41           HN       LYS  41 123.208  -1.793 -10.609
  291    HA   LYS  41           HA       LYS  41 125.549  -3.234 -11.433
  292   1HB   LYS  41          HB2       LYS  41 124.689  -1.280 -12.674
  293   2HB   LYS  41          HB1       LYS  41 125.059  -0.257 -11.293
  294   1HG   LYS  41          HG2       LYS  41 127.457  -1.478 -11.742
  295   2HG   LYS  41          HG1       LYS  41 126.813  -1.314 -13.377
  296   1HD   LYS  41          HD2       LYS  41 126.653   1.026 -11.543
  297   2HD   LYS  41          HD1       LYS  41 128.216   0.617 -12.252
  298   1HE   LYS  41          HE2       LYS  41 125.963   0.628 -14.136
  299   2HE   LYS  41          HE1       LYS  41 126.347   2.197 -13.431
  300   1HZ   LYS  41          HZ1       LYS  41 127.556   1.772 -15.502
  301   2HZ   LYS  41          HZ2       LYS  41 128.302   0.428 -14.797
  302   3HZ   LYS  41          HZ3       LYS  41 128.608   1.977 -14.191
  303    H    GLU  42           HN       GLU  42 124.585  -1.420  -8.629
  304    HA   GLU  42           HA       GLU  42 127.342  -1.341  -7.660
  305   1HB   GLU  42          HB2       GLU  42 124.935   0.236  -7.192
  306   2HB   GLU  42          HB1       GLU  42 125.795  -0.159  -5.710
  307   1HG   GLU  42          HG2       GLU  42 126.616   1.920  -6.459
  308   2HG   GLU  42          HG1       GLU  42 127.868   0.726  -6.797
  309    H    CYS  43           HN       CYS  43 124.894  -3.526  -7.552
  310    HA   CYS  43           HA       CYS  43 125.117  -4.250  -4.761
  311   1HB   CYS  43          HB2       CYS  43 123.495  -5.162  -7.076
  312   2HB   CYS  43          HB1       CYS  43 123.792  -6.332  -5.796
  313    H    GLY  44           HN       GLY  44 125.754  -5.997  -7.816
  314   1HA   GLY  44          HA2       GLY  44 127.549  -7.792  -6.370
  315   2HA   GLY  44          HA1       GLY  44 126.992  -7.991  -8.024
  316    H    THR  45           HN       THR  45 128.470  -5.116  -6.601
  317    HA   THR  45           HA       THR  45 130.448  -5.111  -8.723
  318    HB   THR  45           HB       THR  45 130.600  -3.030  -6.644
  319    HG1  THR  45           HG1      THR  45 128.591  -2.517  -6.660
  320   1HG2  THR  45          HG21      THR  45 131.791  -2.414  -8.492
  321   2HG2  THR  45          HG22      THR  45 130.242  -1.632  -8.817
  322   3HG2  THR  45          HG23      THR  45 130.646  -3.154  -9.614
  323    H    ASN  46           HN       ASN  46 132.665  -5.077  -8.426
  324    HA   ASN  46           HA       ASN  46 133.675  -5.758  -5.756
  325   1HB   ASN  46          HB2       ASN  46 133.553  -7.847  -7.027
  326   2HB   ASN  46          HB1       ASN  46 134.426  -7.107  -8.364
  327   1HD2  ASN  46          HD21      ASN  46 134.791  -7.536  -4.859
  328   2HD2  ASN  46          HD22      ASN  46 136.460  -7.978  -4.916
  329    H    GLU  47           HN       GLU  47 133.976  -3.380  -5.957
  330    HA   GLU  47           HA       GLU  47 135.969  -2.411  -7.795
  331   1HB   GLU  47          HB2       GLU  47 134.477  -1.125  -5.507
  332   2HB   GLU  47          HB1       GLU  47 135.627  -0.265  -6.517
  333   1HG   GLU  47          HG2       GLU  47 134.036   0.153  -7.987
  334   2HG   GLU  47          HG1       GLU  47 133.790  -1.576  -8.227
  335    H    CYS  48           HN       CYS  48 135.864  -3.383  -4.432
  336    HA   CYS  48           HA       CYS  48 138.177  -2.149  -3.521
  337   1HB   CYS  48          HB2       CYS  48 136.828  -4.699  -2.728
  338   2HB   CYS  48          HB1       CYS  48 138.232  -4.070  -1.878
  339    H    LEU  49           HN       LEU  49 137.989  -5.630  -3.970
  340    HA   LEU  49           HA       LEU  49 140.741  -6.046  -4.237
  341   1HB   LEU  49          HB2       LEU  49 138.399  -7.675  -5.216
  342   2HB   LEU  49          HB1       LEU  49 140.059  -8.223  -5.344
  343    HG   LEU  49           HG       LEU  49 139.857  -7.566  -2.678
  344   1HD1  LEU  49          HD11      LEU  49 137.319  -9.006  -3.409
  345   2HD1  LEU  49          HD12      LEU  49 137.391  -7.282  -3.046
  346   3HD1  LEU  49          HD13      LEU  49 137.836  -8.462  -1.814
  347   1HD2  LEU  49          HD21      LEU  49 139.827 -10.050  -4.285
  348   2HD2  LEU  49          HD22      LEU  49 139.395 -10.192  -2.581
  349   3HD2  LEU  49          HD23      LEU  49 140.956  -9.515  -3.042
  350    H    ASP  50           HN       ASP  50 138.594  -4.585  -6.348
  351    HA   ASP  50           HA       ASP  50 139.403  -5.359  -8.837
  352   1HB   ASP  50          HB2       ASP  50 137.545  -3.694  -7.943
  353   2HB   ASP  50          HB1       ASP  50 138.751  -2.500  -8.410
  354    H    ASN  51           HN       ASN  51 141.398  -3.809  -6.581
  355    HA   ASN  51           HA       ASN  51 143.266  -3.141  -8.714
  356   1HB   ASN  51          HB2       ASN  51 143.741  -0.915  -7.654
  357   2HB   ASN  51          HB1       ASN  51 142.141  -1.043  -8.364
  358   1HD2  ASN  51          HD21      ASN  51 143.550   0.387  -5.972
  359   2HD2  ASN  51          HD22      ASN  51 142.358   0.258  -4.727
  360    H    ASN  52           HN       ASN  52 144.365  -1.600  -6.055
  361    HA   ASN  52           HA       ASN  52 146.282  -3.658  -5.398
  362   1HB   ASN  52          HB2       ASN  52 147.223  -1.842  -3.954
  363   2HB   ASN  52          HB1       ASN  52 147.000  -1.333  -5.624
  364   1HD2  ASN  52          HD21      ASN  52 145.426  -1.296  -2.470
  365   2HD2  ASN  52          HD22      ASN  52 144.551   0.165  -2.728
  366    H    GLY  53           HN       GLY  53 143.596  -1.968  -3.995
  367   1HA   GLY  53          HA2       GLY  53 142.979  -3.969  -2.082
  368   2HA   GLY  53          HA1       GLY  53 143.816  -2.630  -1.325
  369    H    GLY  54           HN       GLY  54 141.766  -2.146  -4.112
  370   1HA   GLY  54          HA2       GLY  54 139.697  -1.205  -4.366
  371   2HA   GLY  54          HA1       GLY  54 139.447  -1.393  -2.641
  372    H    CYS  55           HN       CYS  55 141.676  -0.092  -1.766
  373    HA   CYS  55           HA       CYS  55 141.452   2.656  -2.686
  374   1HB   CYS  55          HB2       CYS  55 140.797   1.560   0.034
  375   2HB   CYS  55          HB1       CYS  55 141.333   3.213  -0.168
  376    H    SER  56           HN       SER  56 143.065   0.217  -0.683
  377    HA   SER  56           HA       SER  56 145.583   1.063  -1.482
  378   1HB   SER  56          HB2       SER  56 144.570   2.515   0.735
  379   2HB   SER  56          HB1       SER  56 145.871   1.485   1.317
  380    HG   SER  56           HG       SER  56 147.283   2.537   0.099
  381    H    HIS  57           HN       HIS  57 144.564  -0.106   1.698
  382    HA   HIS  57           HA       HIS  57 146.252  -2.453   1.297
  383   1HB   HIS  57          HB2       HIS  57 144.874  -1.471   3.802
  384   2HB   HIS  57          HB1       HIS  57 146.107  -2.726   3.706
  385    HD1  HIS  57           HD1      HIS  57 147.058  -0.679   5.499
  386    HD2  HIS  57           HD2      HIS  57 147.289  -0.128   1.388
  387    HE1  HIS  57           HE1      HIS  57 148.785   1.123   5.157
  388    HE2  HIS  57           HE2      HIS  57 148.997   1.351   2.658
  389    H    VAL  58           HN       VAL  58 143.170  -2.013   3.016
  390    HA   VAL  58           HA       VAL  58 142.103  -4.271   1.498
  391    HB   VAL  58           HB       VAL  58 140.927  -4.807   3.844
  392   1HG1  VAL  58          HG11      VAL  58 143.683  -5.883   3.428
  393   2HG1  VAL  58          HG12      VAL  58 142.416  -6.199   2.242
  394   3HG1  VAL  58          HG13      VAL  58 142.211  -6.724   3.914
  395   1HG2  VAL  58          HG21      VAL  58 143.655  -3.766   4.609
  396   2HG2  VAL  58          HG22      VAL  58 142.576  -4.680   5.663
  397   3HG2  VAL  58          HG23      VAL  58 142.103  -3.080   5.090
  398    H    CYS  59           HN       CYS  59 140.347  -3.624   0.537
  399    HA   CYS  59           HA       CYS  59 138.667  -1.590   1.832
  400   1HB   CYS  59          HB2       CYS  59 139.403  -0.575  -0.097
  401   2HB   CYS  59          HB1       CYS  59 139.485  -2.064  -1.009
  402    H    ASN  60           HN       ASN  60 136.577  -2.013   2.214
  403    HA   ASN  60           HA       ASN  60 135.621  -4.716   1.601
  404   1HB   ASN  60          HB2       ASN  60 133.852  -4.198   3.302
  405   2HB   ASN  60          HB1       ASN  60 135.495  -4.158   3.932
  406   1HD2  ASN  60          HD21      ASN  60 133.281  -2.923   5.139
  407   2HD2  ASN  60          HD22      ASN  60 133.541  -1.216   5.123
  408    H    ASP  61           HN       ASP  61 134.357  -4.991  -0.104
  409    HA   ASP  61           HA       ASP  61 132.903  -2.725  -1.214
  410   1HB   ASP  61          HB2       ASP  61 134.196  -4.970  -2.323
  411   2HB   ASP  61          HB1       ASP  61 132.480  -5.178  -2.660
  412    H    LEU  62           HN       LEU  62 130.913  -2.334  -0.615
  413    HA   LEU  62           HA       LEU  62 129.244  -4.538   0.381
  414   1HB   LEU  62          HB2       LEU  62 128.394  -1.686   0.569
  415   2HB   LEU  62          HB1       LEU  62 128.041  -3.022   1.636
  416    HG   LEU  62           HG       LEU  62 130.792  -1.824   1.432
  417   1HD1  LEU  62          HD11      LEU  62 129.401  -0.022   2.115
  418   2HD1  LEU  62          HD12      LEU  62 130.193  -0.650   3.561
  419   3HD1  LEU  62          HD13      LEU  62 128.507  -1.052   3.232
  420   1HD2  LEU  62          HD21      LEU  62 129.419  -3.769   3.240
  421   2HD2  LEU  62          HD22      LEU  62 130.766  -2.800   3.839
  422   3HD2  LEU  62          HD23      LEU  62 131.000  -3.880   2.465
  423    H    LYS  63           HN       LYS  63 126.957  -4.564  -0.206
  424    HA   LYS  63           HA       LYS  63 126.613  -4.490  -3.012
  425   1HB   LYS  63          HB2       LYS  63 124.486  -4.708  -0.876
  426   2HB   LYS  63          HB1       LYS  63 124.315  -5.161  -2.566
  427   1HG   LYS  63          HG2       LYS  63 125.487  -7.093  -2.314
  428   2HG   LYS  63          HG1       LYS  63 126.486  -6.448  -1.011
  429   1HD   LYS  63          HD2       LYS  63 123.552  -7.026  -0.677
  430   2HD   LYS  63          HD1       LYS  63 124.802  -8.232  -0.365
  431   1HE   LYS  63          HE2       LYS  63 124.720  -5.521   0.947
  432   2HE   LYS  63          HE1       LYS  63 124.013  -6.973   1.654
  433   1HZ   LYS  63          HZ1       LYS  63 126.854  -6.344   1.184
  434   2HZ   LYS  63          HZ2       LYS  63 126.348  -7.951   1.319
  435   3HZ   LYS  63          HZ3       LYS  63 126.103  -6.878   2.603
  436    H    ILE  64           HN       ILE  64 126.057  -2.165  -0.511
  437    HA   ILE  64           HA       ILE  64 124.679  -0.429  -2.448
  438    HB   ILE  64           HB       ILE  64 123.340  -1.017  -0.439
  439   1HG1  ILE  64          HG12      ILE  64 123.475   1.743   0.190
  440   2HG1  ILE  64          HG11      ILE  64 123.870   1.589  -1.519
  441   1HG2  ILE  64          HG21      ILE  64 123.982  -0.618   1.702
  442   2HG2  ILE  64          HG22      ILE  64 124.980   0.770   1.263
  443   3HG2  ILE  64          HG23      ILE  64 125.576  -0.867   0.988
  444   1HD1  ILE  64          HD11      ILE  64 121.387   1.841  -0.660
  445   2HD1  ILE  64          HD12      ILE  64 121.526   0.089  -0.517
  446   3HD1  ILE  64          HD13      ILE  64 121.795   0.870  -2.075
  447    H    GLY  65           HN       GLY  65 127.612  -0.826  -2.048
  448   1HA   GLY  65          HA2       GLY  65 128.847   1.328  -2.683
  449   2HA   GLY  65          HA1       GLY  65 128.350   1.858  -1.087
  450    H    TYR  66           HN       TYR  66 130.993   1.195  -2.475
  451    HA   TYR  66           HA       TYR  66 132.039  -0.697  -0.496
  452   1HB   TYR  66          HB2       TYR  66 133.941  -1.010  -1.998
  453   2HB   TYR  66          HB1       TYR  66 132.431  -1.308  -2.849
  454    HD1  TYR  66           HD1      TYR  66 131.490   0.664  -4.257
  455    HD2  TYR  66           HD2      TYR  66 135.520   0.435  -2.916
  456    HE1  TYR  66           HE1      TYR  66 132.156   2.263  -6.000
  457    HE2  TYR  66           HE2      TYR  66 136.195   2.037  -4.652
  458    HH   TYR  66           HH       TYR  66 134.161   2.914  -7.234
  459    H    GLU  67           HN       GLU  67 133.584  -0.083   0.952
  460    HA   GLU  67           HA       GLU  67 134.596   2.673   0.734
  461   1HB   GLU  67          HB2       GLU  67 134.629   2.156   3.443
  462   2HB   GLU  67          HB1       GLU  67 133.455   3.149   2.599
  463   1HG   GLU  67          HG2       GLU  67 133.019   0.207   2.843
  464   2HG   GLU  67          HG1       GLU  67 132.666   1.271   4.202
  465    H    CYS  68           HN       CYS  68 136.503   2.989   2.302
  466    HA   CYS  68           HA       CYS  68 138.380   0.809   1.766
  467   1HB   CYS  68          HB2       CYS  68 139.270   3.432   2.875
  468   2HB   CYS  68          HB1       CYS  68 140.067   2.379   1.713
  469    H    LEU  69           HN       LEU  69 139.408  -0.314   3.330
  470    HA   LEU  69           HA       LEU  69 138.831   0.418   6.127
  471   1HB   LEU  69          HB2       LEU  69 139.273  -2.363   5.039
  472   2HB   LEU  69          HB1       LEU  69 138.862  -1.944   6.686
  473    HG   LEU  69           HG       LEU  69 137.105  -1.796   4.248
  474   1HD1  LEU  69          HD11      LEU  69 137.086  -3.337   6.820
  475   2HD1  LEU  69          HD12      LEU  69 137.047  -3.945   5.165
  476   3HD1  LEU  69          HD13      LEU  69 135.631  -3.140   5.842
  477   1HD2  LEU  69          HD21      LEU  69 135.431  -0.673   5.484
  478   2HD2  LEU  69          HD22      LEU  69 136.908   0.261   5.708
  479   3HD2  LEU  69          HD23      LEU  69 136.344  -0.812   6.988
  480    H    CYS  70           HN       CYS  70 140.498  -0.956   7.588
  481    HA   CYS  70           HA       CYS  70 143.054  -1.543   6.762
  482   1HB   CYS  70          HB2       CYS  70 142.550   1.326   6.793
  483   2HB   CYS  70          HB1       CYS  70 143.875   0.881   7.862
  484    HA   PRO  71           HA       PRO  71 143.642  -2.713  10.958
  485   1HB   PRO  71          HB2       PRO  71 146.124  -1.572  11.547
  486   2HB   PRO  71          HB1       PRO  71 145.862  -3.155  10.814
  487   1HG   PRO  71          HG2       PRO  71 146.538  -0.557   9.522
  488   2HG   PRO  71          HG1       PRO  71 147.069  -2.195   9.101
  489   1HD   PRO  71          HD2       PRO  71 145.198  -0.921   7.671
  490   2HD   PRO  71          HD1       PRO  71 145.106  -2.671   7.960
  491    H    ASP  72           HN       ASP  72 144.052  -1.864  13.189
  492    HA   ASP  72           HA       ASP  72 142.599   0.561  13.563
  493   1HB   ASP  72          HB2       ASP  72 143.793  -1.520  15.322
  494   2HB   ASP  72          HB1       ASP  72 143.483   0.060  16.036
  495    H    GLY  73           HN       GLY  73 143.379   2.314  14.997
  496   1HA   GLY  73          HA2       GLY  73 144.815   4.057  15.411
  497   2HA   GLY  73          HA1       GLY  73 146.083   2.844  15.488
  498    H    PHE  74           HN       PHE  74 144.376   2.967  12.519
  499    HA   PHE  74           HA       PHE  74 146.712   4.219  11.268
  500   1HB   PHE  74          HB2       PHE  74 144.842   2.102  10.475
  501   2HB   PHE  74          HB1       PHE  74 145.177   3.265   9.197
  502    HD1  PHE  74           HD1      PHE  74 146.979   1.242  11.759
  503    HD2  PHE  74           HD2      PHE  74 146.994   2.902   7.839
  504    HE1  PHE  74           HE1      PHE  74 149.110   0.104  11.289
  505    HE2  PHE  74           HE2      PHE  74 149.123   1.764   7.362
  506    HZ   PHE  74           HZ       PHE  74 150.184   0.363   9.088
  507    H    GLN  75           HN       GLN  75 146.207   5.497   9.241
  508    HA   GLN  75           HA       GLN  75 143.757   7.088   9.551
  509   1HB   GLN  75          HB2       GLN  75 146.299   8.011  10.231
  510   2HB   GLN  75          HB1       GLN  75 146.005   8.692   8.638
  511   1HG   GLN  75          HG2       GLN  75 144.211   9.945   9.354
  512   2HG   GLN  75          HG1       GLN  75 143.903   8.902  10.741
  513   1HE2  GLN  75          HE21      GLN  75 145.488   8.963  12.488
  514   2HE2  GLN  75          HE22      GLN  75 146.296  10.451  12.829
  515    H    LEU  76           HN       LEU  76 142.662   6.670   7.747
  516    HA   LEU  76           HA       LEU  76 143.927   5.986   5.284
  517   1HB   LEU  76          HB2       LEU  76 141.760   5.046   5.951
  518   2HB   LEU  76          HB1       LEU  76 141.044   6.644   5.873
  519    HG   LEU  76           HG       LEU  76 141.959   6.514   3.371
  520   1HD1  LEU  76          HD11      LEU  76 142.990   4.343   3.581
  521   2HD1  LEU  76          HD12      LEU  76 141.604   4.235   2.495
  522   3HD1  LEU  76          HD13      LEU  76 141.474   3.644   4.152
  523   1HD2  LEU  76          HD21      LEU  76 139.721   5.740   2.710
  524   2HD2  LEU  76          HD22      LEU  76 139.657   6.944   3.997
  525   3HD2  LEU  76          HD23      LEU  76 139.417   5.237   4.372
  526    H    VAL  77           HN       VAL  77 145.066   7.580   4.244
  527    HA   VAL  77           HA       VAL  77 143.903  10.228   4.102
  528    HB   VAL  77           HB       VAL  77 146.149  10.329   4.799
  529   1HG1  VAL  77          HG11      VAL  77 147.799   9.259   2.885
  530   2HG1  VAL  77          HG12      VAL  77 146.484   8.089   2.974
  531   3HG1  VAL  77          HG13      VAL  77 147.385   8.511   4.429
  532   1HG2  VAL  77          HG21      VAL  77 146.294  10.879   1.841
  533   2HG2  VAL  77          HG22      VAL  77 147.218  11.651   3.129
  534   3HG2  VAL  77          HG23      VAL  77 145.483  11.936   2.997
  535    H    ALA  78           HN       ALA  78 143.419  11.280   2.248
  536    HA   ALA  78           HA       ALA  78 142.974  11.645   0.033
  537   1HB   ALA  78          HB1       ALA  78 144.085  10.487  -1.662
  538   2HB   ALA  78          HB2       ALA  78 144.226   9.019  -0.694
  539   3HB   ALA  78          HB3       ALA  78 145.203  10.432  -0.299
  540    H    GLN  79           HN       GLN  79 141.444   9.785   1.963
  541    HA   GLN  79           HA       GLN  79 139.456   8.693   1.955
  542   1HB   GLN  79          HB2       GLN  79 139.432  10.132  -0.644
  543   2HB   GLN  79          HB1       GLN  79 138.238   8.862  -0.419
  544   1HG   GLN  79          HG2       GLN  79 137.862  10.137   1.870
  545   2HG   GLN  79          HG1       GLN  79 138.503  11.484   0.932
  546   1HE2  GLN  79          HE21      GLN  79 136.879  12.703   0.294
  547   2HE2  GLN  79          HE22      GLN  79 135.392  12.145  -0.384
  548    H    ARG  80           HN       ARG  80 142.063   7.520   0.657
  549    HA   ARG  80           HA       ARG  80 140.869   4.959   0.119
  550   1HB   ARG  80          HB2       ARG  80 142.315   6.472  -2.038
  551   2HB   ARG  80          HB1       ARG  80 142.224   4.723  -2.042
  552   1HG   ARG  80          HG2       ARG  80 139.610   5.407  -1.700
  553   2HG   ARG  80          HG1       ARG  80 140.200   6.711  -2.732
  554   1HD   ARG  80          HD2       ARG  80 141.291   4.346  -3.778
  555   2HD   ARG  80          HD1       ARG  80 139.609   3.974  -3.403
  556    HE   ARG  80           HE       ARG  80 140.582   5.732  -5.459
  557   1HH1  ARG  80          HH11      ARG  80 137.870   4.955  -3.405
  558   2HH1  ARG  80          HH12      ARG  80 136.701   5.669  -4.465
  559   1HH2  ARG  80          HH21      ARG  80 139.047   6.673  -6.854
  560   2HH2  ARG  80          HH22      ARG  80 137.370   6.645  -6.423
  561    H    ARG  81           HN       ARG  81 143.776   6.940   0.369
  562    HA   ARG  81           HA       ARG  81 145.465   4.634   0.701
  563   1HB   ARG  81          HB2       ARG  81 145.852   7.432   0.194
  564   2HB   ARG  81          HB1       ARG  81 146.867   6.916   1.533
  565   1HG   ARG  81          HG2       ARG  81 146.838   5.188  -0.863
  566   2HG   ARG  81          HG1       ARG  81 147.629   6.758  -1.011
  567   1HD   ARG  81          HD2       ARG  81 148.639   5.927   1.348
  568   2HD   ARG  81          HD1       ARG  81 148.407   4.376   0.542
  569    HE   ARG  81           HE       ARG  81 149.745   6.341  -1.078
  570   1HH1  ARG  81          HH11      ARG  81 150.161   3.837   1.318
  571   2HH1  ARG  81          HH12      ARG  81 151.812   3.533   0.893
  572   1HH2  ARG  81          HH21      ARG  81 151.915   5.942  -1.637
  573   2HH2  ARG  81          HH22      ARG  81 152.808   4.727  -0.783
  574    H    CYS  82           HN       CYS  82 146.751   4.204   2.563
  575    HA   CYS  82           HA       CYS  82 145.388   4.984   5.046
  576   1HB   CYS  82          HB2       CYS  82 146.647   2.392   4.215
  577   2HB   CYS  82          HB1       CYS  82 146.393   2.778   5.912
  578    H    GLU  83           HN       GLU  83 146.655   5.306   6.926
  579    HA   GLU  83           HA       GLU  83 149.087   6.671   6.419
  580   1HB   GLU  83          HB2       GLU  83 147.382   7.112   8.278
  581   2HB   GLU  83          HB1       GLU  83 148.146   5.781   9.132
  582   1HG   GLU  83          HG2       GLU  83 149.275   7.555  10.013
  583   2HG   GLU  83          HG1       GLU  83 150.335   7.130   8.670
  Start of MODEL   10
    1   1H    GLY   1           HT1      GLY   1 129.288  19.252   4.851
    2   2H    GLY   1           HT2      GLY   1 128.358  17.909   4.412
    3   3H    GLY   1           HT3      GLY   1 129.979  17.708   4.849
    4   1HA   GLY   1          HA1       GLY   1 129.590  17.892   7.062
    5   2HA   GLY   1          HA2       GLY   1 128.220  18.964   6.810
    6    H    ASN   2           HN       ASN   2 127.153  17.619   8.414
    7    HA   ASN   2           HA       ASN   2 126.283  15.010   7.381
    8   1HB   ASN   2          HB2       ASN   2 126.345  16.161  10.168
    9   2HB   ASN   2          HB1       ASN   2 125.452  14.695   9.775
   10   1HD2  ASN   2          HD21      ASN   2 126.708  13.392  11.065
   11   2HD2  ASN   2          HD22      ASN   2 128.343  12.987  10.679
   12    H    VAL   3           HN       VAL   3 124.175  14.588   6.965
   13    HA   VAL   3           HA       VAL   3 122.253  16.775   7.434
   14    HB   VAL   3           HB       VAL   3 122.160  14.825   5.132
   15   1HG1  VAL   3          HG11      VAL   3 120.317  15.950   4.372
   16   2HG1  VAL   3          HG12      VAL   3 120.766  17.455   5.174
   17   3HG1  VAL   3          HG13      VAL   3 120.088  16.124   6.112
   18   1HG2  VAL   3          HG21      VAL   3 124.092  16.122   4.733
   19   2HG2  VAL   3          HG22      VAL   3 123.311  17.599   5.296
   20   3HG2  VAL   3          HG23      VAL   3 122.812  16.865   3.772
   21    H    THR   4           HN       THR   4 121.108  16.100   9.157
   22    HA   THR   4           HA       THR   4 120.229  13.313   9.294
   23    HB   THR   4           HB       THR   4 121.245  14.276  11.306
   24    HG1  THR   4           HG1      THR   4 118.460  13.865  11.636
   25   1HG2  THR   4          HG21      THR   4 119.000  15.940  12.077
   26   2HG2  THR   4          HG22      THR   4 119.892  16.587  10.701
   27   3HG2  THR   4          HG23      THR   4 120.734  16.236  12.210
   28    H    LEU   5           HN       LEU   5 118.229  12.709   8.786
   29    HA   LEU   5           HA       LEU   5 116.074  14.698   8.837
   30   1HB   LEU   5          HB2       LEU   5 117.216  14.072   6.493
   31   2HB   LEU   5          HB1       LEU   5 116.063  12.755   6.596
   32    HG   LEU   5           HG       LEU   5 115.070  14.518   5.320
   33   1HD1  LEU   5          HD11      LEU   5 113.038  14.608   6.363
   34   2HD1  LEU   5          HD12      LEU   5 113.739  14.932   7.948
   35   3HD1  LEU   5          HD13      LEU   5 113.800  13.304   7.273
   36   1HD2  LEU   5          HD21      LEU   5 114.842  16.770   6.082
   37   2HD2  LEU   5          HD22      LEU   5 116.540  16.319   6.232
   38   3HD2  LEU   5          HD23      LEU   5 115.508  16.361   7.662
   39    H    CYS   6           HN       CYS   6 116.807  11.255   8.285
   40    HA   CYS   6           HA       CYS   6 114.246  10.525   9.485
   41   1HB   CYS   6          HB2       CYS   6 115.570   9.490   7.342
   42   2HB   CYS   6          HB1       CYS   6 116.079   8.383   8.613
   43    H    GLU   7           HN       GLU   7 114.113   8.969  11.192
   44    HA   GLU   7           HA       GLU   7 116.413   9.120  13.012
   45   1HB   GLU   7          HB2       GLU   7 114.166  10.012  13.741
   46   2HB   GLU   7          HB1       GLU   7 113.575   8.356  13.701
   47   1HG   GLU   7          HG2       GLU   7 114.166   8.305  15.848
   48   2HG   GLU   7          HG1       GLU   7 115.805   8.098  15.233
   49    H    GLY   8           HN       GLY   8 117.576   7.359  13.423
   50   1HA   GLY   8          HA2       GLY   8 117.063   4.897  14.125
   51   2HA   GLY   8          HA1       GLY   8 116.579   4.781  12.441
   52    HA   PRO   9           HA       PRO   9 121.464   4.962  13.236
   53   1HB   PRO   9          HB2       PRO   9 121.281   2.188  14.280
   54   2HB   PRO   9          HB1       PRO   9 122.340   3.511  14.778
   55   1HG   PRO   9          HG2       PRO   9 120.276   2.770  16.293
   56   2HG   PRO   9          HG1       PRO   9 120.719   4.479  16.123
   57   1HD   PRO   9          HD2       PRO   9 118.485   2.960  14.841
   58   2HD   PRO   9          HD1       PRO   9 118.507   4.622  15.468
   59    H    ASN  10           HN       ASN  10 119.729   1.888  12.691
   60    HA   ASN  10           HA       ASN  10 121.283   1.501  10.236
   61   1HB   ASN  10          HB2       ASN  10 120.266  -0.831  10.346
   62   2HB   ASN  10          HB1       ASN  10 121.399  -0.414  11.628
   63   1HD2  ASN  10          HD21      ASN  10 118.194  -1.301  10.841
   64   2HD2  ASN  10          HD22      ASN  10 117.570  -1.345  12.450
   65    H    LYS  11           HN       LYS  11 119.511   3.469   9.870
   66    HA   LYS  11           HA       LYS  11 117.122   2.284   8.655
   67   1HB   LYS  11          HB2       LYS  11 116.241   4.552   8.562
   68   2HB   LYS  11          HB1       LYS  11 116.791   4.180  10.189
   69   1HG   LYS  11          HG2       LYS  11 117.636   6.284   9.926
   70   2HG   LYS  11          HG1       LYS  11 119.005   5.319   9.371
   71   1HD   LYS  11          HD2       LYS  11 118.585   5.799   7.126
   72   2HD   LYS  11          HD1       LYS  11 116.921   6.289   7.446
   73   1HE   LYS  11          HE2       LYS  11 117.940   8.327   7.129
   74   2HE   LYS  11          HE1       LYS  11 118.050   8.154   8.881
   75   1HZ   LYS  11          HZ1       LYS  11 120.283   7.838   8.803
   76   2HZ   LYS  11          HZ2       LYS  11 120.124   8.799   7.421
   77   3HZ   LYS  11          HZ3       LYS  11 120.262   7.120   7.271
   78    H    PHE  12           HN       PHE  12 116.408   3.153   6.560
   79    HA   PHE  12           HA       PHE  12 118.462   4.209   4.802
   80   1HB   PHE  12          HB2       PHE  12 118.784   1.730   4.769
   81   2HB   PHE  12          HB1       PHE  12 117.131   1.562   4.187
   82    HD1  PHE  12           HD1      PHE  12 120.547   2.411   3.324
   83    HD2  PHE  12           HD2      PHE  12 116.522   2.356   1.941
   84    HE1  PHE  12           HE1      PHE  12 121.342   2.676   1.010
   85    HE2  PHE  12           HE2      PHE  12 117.310   2.620  -0.375
   86    HZ   PHE  12           HZ       PHE  12 119.722   2.780  -0.843
   87    H    LYS  13           HN       LYS  13 117.605   5.303   3.046
   88    HA   LYS  13           HA       LYS  13 114.693   5.149   2.702
   89   1HB   LYS  13          HB2       LYS  13 114.717   7.644   2.270
   90   2HB   LYS  13          HB1       LYS  13 114.903   7.140   3.940
   91   1HG   LYS  13          HG2       LYS  13 116.683   8.460   4.025
   92   2HG   LYS  13          HG1       LYS  13 117.497   7.292   2.983
   93   1HD   LYS  13          HD2       LYS  13 117.653   9.577   2.095
   94   2HD   LYS  13          HD1       LYS  13 116.763   8.508   1.009
   95   1HE   LYS  13          HE2       LYS  13 114.726   9.499   1.494
   96   2HE   LYS  13          HE1       LYS  13 115.294  10.146   3.033
   97   1HZ   LYS  13          HZ1       LYS  13 116.054  11.109   0.328
   98   2HZ   LYS  13          HZ2       LYS  13 116.711  11.689   1.773
   99   3HZ   LYS  13          HZ3       LYS  13 115.067  11.913   1.442
  100    H    CYS  14           HN       CYS  14 114.055   4.902   0.677
  101    HA   CYS  14           HA       CYS  14 115.961   4.645  -1.417
  102   1HB   CYS  14          HB2       CYS  14 113.046   5.057  -1.987
  103   2HB   CYS  14          HB1       CYS  14 114.196   4.007  -2.800
  104    H    HIS  15           HN       HIS  15 116.213   5.937  -3.315
  105    HA   HIS  15           HA       HIS  15 116.579   8.625  -2.950
  106   1HB   HIS  15          HB2       HIS  15 116.252   6.895  -5.339
  107   2HB   HIS  15          HB1       HIS  15 116.090   8.628  -5.597
  108    HD1  HIS  15           HD1      HIS  15 118.311   9.440  -3.480
  109    HD2  HIS  15           HD2      HIS  15 118.731   6.653  -6.532
  110    HE1  HIS  15           HE1      HIS  15 120.781   9.302  -3.927
  111    HE2  HIS  15           HE2      HIS  15 121.017   7.547  -5.720
  112    H    SER  16           HN       SER  16 113.715   7.033  -4.290
  113    HA   SER  16           HA       SER  16 112.212   9.531  -3.865
  114   1HB   SER  16          HB2       SER  16 112.569   8.375  -6.281
  115   2HB   SER  16          HB1       SER  16 111.117   7.525  -5.752
  116    HG   SER  16           HG       SER  16 110.274   9.700  -5.280
  117    H    GLY  17           HN       GLY  17 112.754   7.200  -2.061
  118   1HA   GLY  17          HA2       GLY  17 109.955   6.358  -1.634
  119   2HA   GLY  17          HA1       GLY  17 111.338   5.336  -1.282
  120    H    GLU  18           HN       GLU  18 110.317   5.128   0.790
  121    HA   GLU  18           HA       GLU  18 110.765   7.433   2.557
  122   1HB   GLU  18          HB2       GLU  18 109.150   4.971   3.212
  123   2HB   GLU  18          HB1       GLU  18 109.152   6.517   4.051
  124   1HG   GLU  18          HG2       GLU  18 108.226   7.523   1.926
  125   2HG   GLU  18          HG1       GLU  18 107.981   5.869   1.364
  126    H    CYS  19           HN       CYS  19 110.907   6.189   4.972
  127    HA   CYS  19           HA       CYS  19 113.584   5.128   4.912
  128   1HB   CYS  19          HB2       CYS  19 111.912   6.458   6.816
  129   2HB   CYS  19          HB1       CYS  19 112.497   4.960   7.531
  130    H    ILE  20           HN       ILE  20 114.260   3.111   5.492
  131    HA   ILE  20           HA       ILE  20 112.410   1.084   6.390
  132    HB   ILE  20           HB       ILE  20 113.130  -0.464   4.497
  133   1HG1  ILE  20          HG12      ILE  20 113.844   2.205   3.265
  134   2HG1  ILE  20          HG11      ILE  20 114.933   0.855   3.564
  135   1HG2  ILE  20          HG21      ILE  20 111.330   1.859   3.816
  136   2HG2  ILE  20          HG22      ILE  20 110.862   0.422   4.726
  137   3HG2  ILE  20          HG23      ILE  20 111.330   0.279   3.031
  138   1HD1  ILE  20          HD11      ILE  20 114.520   0.109   1.529
  139   2HD1  ILE  20          HD12      ILE  20 113.362   1.413   1.267
  140   3HD1  ILE  20          HD13      ILE  20 112.825  -0.114   1.963
  141    H    THR  21           HN       THR  21 113.729  -1.125   6.410
  142    HA   THR  21           HA       THR  21 116.046  -0.598   7.994
  143    HB   THR  21           HB       THR  21 115.042  -3.237   6.924
  144    HG1  THR  21           HG1      THR  21 113.483  -2.096   8.184
  145   1HG2  THR  21          HG21      THR  21 116.963  -3.958   7.828
  146   2HG2  THR  21          HG22      THR  21 116.076  -3.788   9.343
  147   3HG2  THR  21          HG23      THR  21 117.168  -2.508   8.812
  148    H    LEU  22           HN       LEU  22 118.191  -0.986   7.537
  149    HA   LEU  22           HA       LEU  22 118.946  -0.759   4.785
  150   1HB   LEU  22          HB2       LEU  22 121.238  -0.725   5.627
  151   2HB   LEU  22          HB1       LEU  22 120.208   0.377   6.521
  152    HG   LEU  22           HG       LEU  22 120.001  -1.506   8.256
  153   1HD1  LEU  22          HD11      LEU  22 122.496  -2.657   7.976
  154   2HD1  LEU  22          HD12      LEU  22 121.836  -2.697   6.341
  155   3HD1  LEU  22          HD13      LEU  22 120.945  -3.439   7.670
  156   1HD2  LEU  22          HD21      LEU  22 122.687  -0.192   7.863
  157   2HD2  LEU  22          HD22      LEU  22 122.000  -0.763   9.383
  158   3HD2  LEU  22          HD23      LEU  22 121.265   0.601   8.539
  159    H    ASP  23           HN       ASP  23 118.719  -3.364   7.089
  160    HA   ASP  23           HA       ASP  23 120.433  -5.243   6.135
  161   1HB   ASP  23          HB2       ASP  23 117.568  -5.743   6.918
  162   2HB   ASP  23          HB1       ASP  23 118.834  -6.959   6.845
  163    H    LYS  24           HN       LYS  24 116.992  -5.142   5.065
  164    HA   LYS  24           HA       LYS  24 117.407  -6.900   2.982
  165   1HB   LYS  24          HB2       LYS  24 115.202  -5.892   2.138
  166   2HB   LYS  24          HB1       LYS  24 115.202  -6.680   3.706
  167   1HG   LYS  24          HG2       LYS  24 113.916  -4.630   3.758
  168   2HG   LYS  24          HG1       LYS  24 115.337  -4.489   4.791
  169   1HD   LYS  24          HD2       LYS  24 116.421  -3.055   3.310
  170   2HD   LYS  24          HD1       LYS  24 115.410  -3.545   1.950
  171   1HE   LYS  24          HE2       LYS  24 114.335  -2.078   4.346
  172   2HE   LYS  24          HE1       LYS  24 114.950  -1.253   2.915
  173   1HZ   LYS  24          HZ1       LYS  24 113.227  -2.030   1.620
  174   2HZ   LYS  24          HZ2       LYS  24 112.445  -1.763   3.096
  175   3HZ   LYS  24          HZ3       LYS  24 112.883  -3.332   2.643
  176    H    VAL  25           HN       VAL  25 119.102  -4.296   3.052
  177    HA   VAL  25           HA       VAL  25 118.516  -2.759   0.796
  178    HB   VAL  25           HB       VAL  25 120.937  -3.226   2.449
  179   1HG1  VAL  25          HG11      VAL  25 122.171  -1.629   0.841
  180   2HG1  VAL  25          HG12      VAL  25 121.057  -2.267  -0.369
  181   3HG1  VAL  25          HG13      VAL  25 122.138  -3.357   0.497
  182   1HG2  VAL  25          HG21      VAL  25 120.149  -0.557   1.456
  183   2HG2  VAL  25          HG22      VAL  25 120.640  -1.069   3.070
  184   3HG2  VAL  25          HG23      VAL  25 118.999  -1.384   2.507
  185    H    CYS  26           HN       CYS  26 118.640  -3.157  -1.306
  186    HA   CYS  26           HA       CYS  26 118.939  -4.266  -3.271
  187   1HB   CYS  26          HB2       CYS  26 121.232  -3.473  -2.958
  188   2HB   CYS  26          HB1       CYS  26 121.611  -4.904  -2.007
  189    H    ASN  27           HN       ASN  27 117.260  -5.731  -2.028
  190    HA   ASN  27           HA       ASN  27 118.333  -8.473  -1.962
  191   1HB   ASN  27          HB2       ASN  27 116.474  -9.052  -0.485
  192   2HB   ASN  27          HB1       ASN  27 117.402  -7.719   0.192
  193   1HD2  ASN  27          HD21      ASN  27 114.905  -8.181   1.104
  194   2HD2  ASN  27          HD22      ASN  27 113.829  -6.941   0.570
  195    H    MET  28           HN       MET  28 117.434 -10.018  -3.218
  196    HA   MET  28           HA       MET  28 116.466  -9.786  -5.623
  197   1HB   MET  28          HB2       MET  28 115.731 -11.749  -3.511
  198   2HB   MET  28          HB1       MET  28 114.840 -11.802  -5.025
  199   1HG   MET  28          HG2       MET  28 117.757 -11.654  -5.306
  200   2HG   MET  28          HG1       MET  28 117.147 -13.124  -4.548
  201   1HE   MET  28          HE1       MET  28 118.528 -12.542  -7.924
  202   2HE   MET  28          HE2       MET  28 117.726 -11.041  -7.459
  203   3HE   MET  28          HE3       MET  28 117.157 -11.946  -8.861
  204    H    ALA  29           HN       ALA  29 114.194  -9.706  -2.867
  205    HA   ALA  29           HA       ALA  29 111.957  -9.051  -4.519
  206   1HB   ALA  29          HB1       ALA  29 112.358  -8.989  -1.535
  207   2HB   ALA  29          HB2       ALA  29 111.526 -10.217  -2.489
  208   3HB   ALA  29          HB3       ALA  29 110.827  -8.607  -2.323
  209    H    ARG  30           HN       ARG  30 111.144  -7.107  -5.070
  210    HA   ARG  30           HA       ARG  30 112.732  -4.809  -4.985
  211   1HB   ARG  30          HB2       ARG  30 110.932  -5.211  -6.635
  212   2HB   ARG  30          HB1       ARG  30 109.738  -4.963  -5.368
  213   1HG   ARG  30          HG2       ARG  30 110.563  -2.664  -5.071
  214   2HG   ARG  30          HG1       ARG  30 111.699  -2.923  -6.397
  215   1HD   ARG  30          HD2       ARG  30 109.857  -1.814  -7.355
  216   2HD   ARG  30          HD1       ARG  30 109.682  -3.505  -7.819
  217    HE   ARG  30           HE       ARG  30 108.211  -3.334  -5.557
  218   1HH1  ARG  30          HH11      ARG  30 108.257  -1.484  -8.516
  219   2HH1  ARG  30          HH12      ARG  30 106.573  -1.089  -8.442
  220   1HH2  ARG  30          HH21      ARG  30 105.996  -2.814  -5.458
  221   2HH2  ARG  30          HH22      ARG  30 105.289  -1.843  -6.706
  222    H    ASP  31           HN       ASP  31 112.869  -3.091  -3.642
  223    HA   ASP  31           HA       ASP  31 111.238  -3.183  -1.192
  224   1HB   ASP  31          HB2       ASP  31 114.117  -2.563  -1.667
  225   2HB   ASP  31          HB1       ASP  31 113.291  -1.726  -0.355
  226    H    CYS  32           HN       CYS  32 112.377  -1.217  -3.827
  227    HA   CYS  32           HA       CYS  32 110.660   0.970  -2.872
  228   1HB   CYS  32          HB2       CYS  32 113.220   1.487  -4.371
  229   2HB   CYS  32          HB1       CYS  32 112.236   2.627  -3.458
  230    H    ARG  33           HN       ARG  33 110.346   2.608  -4.768
  231    HA   ARG  33           HA       ARG  33 109.269   1.069  -6.977
  232   1HB   ARG  33          HB2       ARG  33 108.355   3.263  -5.659
  233   2HB   ARG  33          HB1       ARG  33 109.102   4.016  -7.061
  234   1HG   ARG  33          HG2       ARG  33 106.982   3.696  -7.838
  235   2HG   ARG  33          HG1       ARG  33 107.742   2.195  -8.370
  236   1HD   ARG  33          HD2       ARG  33 105.733   1.507  -7.394
  237   2HD   ARG  33          HD1       ARG  33 106.944   1.218  -6.145
  238    HE   ARG  33           HE       ARG  33 105.661   3.787  -5.960
  239   1HH1  ARG  33          HH11      ARG  33 105.486   0.421  -5.054
  240   2HH1  ARG  33          HH12      ARG  33 104.491   0.717  -3.668
  241   1HH2  ARG  33          HH21      ARG  33 104.352   4.178  -4.137
  242   2HH2  ARG  33          HH22      ARG  33 103.847   2.849  -3.147
  243    H    ASP  34           HN       ASP  34 111.705   3.565  -6.427
  244    HA   ASP  34           HA       ASP  34 112.447   3.646  -9.222
  245   1HB   ASP  34          HB2       ASP  34 113.213   5.124  -6.758
  246   2HB   ASP  34          HB1       ASP  34 114.399   5.057  -8.057
  247    H    TRP  35           HN       TRP  35 113.163   1.658  -6.604
  248    HA   TRP  35           HA       TRP  35 114.653  -0.019  -6.275
  249   1HB   TRP  35          HB2       TRP  35 115.095   0.480  -9.212
  250   2HB   TRP  35          HB1       TRP  35 116.012  -0.738  -8.333
  251    HD1  TRP  35           HD1      TRP  35 112.243   0.131  -8.713
  252    HE1  TRP  35           HE1      TRP  35 110.950  -2.077  -8.990
  253    HE3  TRP  35           HE3      TRP  35 116.149  -3.141  -8.360
  254    HZ2  TRP  35           HZ2      TRP  35 111.515  -4.844  -9.048
  255    HZ3  TRP  35           HZ3      TRP  35 115.691  -5.551  -8.533
  256    HH2  TRP  35           HH2      TRP  35 113.420  -6.384  -8.870
  257    H    SER  36           HN       SER  36 115.389   2.879  -5.971
  258    HA   SER  36           HA       SER  36 118.127   3.196  -6.602
  259   1HB   SER  36          HB2       SER  36 117.040   5.211  -6.149
  260   2HB   SER  36          HB1       SER  36 116.226   4.565  -4.724
  261    HG   SER  36           HG       SER  36 119.030   4.949  -4.881
  262    H    ASP  37           HN       ASP  37 116.437   1.634  -4.001
  263    HA   ASP  37           HA       ASP  37 118.633   1.504  -2.188
  264   1HB   ASP  37          HB2       ASP  37 116.284   1.289  -1.454
  265   2HB   ASP  37          HB1       ASP  37 116.156  -0.231  -2.334
  266    H    GLU  38           HN       GLU  38 117.437  -0.524  -4.790
  267    HA   GLU  38           HA       GLU  38 119.584  -2.460  -4.246
  268   1HB   GLU  38          HB2       GLU  38 117.305  -2.894  -6.161
  269   2HB   GLU  38          HB1       GLU  38 118.333  -4.097  -5.393
  270   1HG   GLU  38          HG2       GLU  38 117.285  -3.154  -3.193
  271   2HG   GLU  38          HG1       GLU  38 116.018  -2.590  -4.281
  272    HA   PRO  39           HA       PRO  39 120.886  -0.077  -8.072
  273   1HB   PRO  39          HB2       PRO  39 123.391   0.505  -7.237
  274   2HB   PRO  39          HB1       PRO  39 122.003   1.527  -6.848
  275   1HG   PRO  39          HG2       PRO  39 123.343  -0.563  -5.167
  276   2HG   PRO  39          HG1       PRO  39 122.813   1.067  -4.709
  277   1HD   PRO  39          HD2       PRO  39 121.357  -1.134  -4.135
  278   2HD   PRO  39          HD1       PRO  39 120.606   0.430  -4.511
  279    H    ILE  40           HN       ILE  40 120.940  -1.934  -9.316
  280    HA   ILE  40           HA       ILE  40 122.396  -4.235  -8.925
  281    HB   ILE  40           HB       ILE  40 121.856  -2.967 -11.613
  282   1HG1  ILE  40          HG12      ILE  40 120.146  -4.811  -9.927
  283   2HG1  ILE  40          HG11      ILE  40 119.799  -3.127 -10.307
  284   1HG2  ILE  40          HG21      ILE  40 123.389  -4.760 -11.882
  285   2HG2  ILE  40          HG22      ILE  40 121.803  -5.373 -12.348
  286   3HG2  ILE  40          HG23      ILE  40 122.481  -5.790 -10.775
  287   1HD1  ILE  40          HD11      ILE  40 120.201  -4.622 -12.720
  288   2HD1  ILE  40          HD12      ILE  40 118.791  -3.709 -12.184
  289   3HD1  ILE  40          HD13      ILE  40 118.983  -5.395 -11.707
  290    H    LYS  41           HN       LYS  41 123.464  -1.245 -10.519
  291    HA   LYS  41           HA       LYS  41 125.970  -2.209 -11.367
  292   1HB   LYS  41          HB2       LYS  41 124.729   0.466 -10.992
  293   2HB   LYS  41          HB1       LYS  41 126.484   0.403 -11.096
  294   1HG   LYS  41          HG2       LYS  41 126.291  -0.774 -13.248
  295   2HG   LYS  41          HG1       LYS  41 124.535  -0.626 -13.148
  296   1HD   LYS  41          HD2       LYS  41 126.042   1.882 -12.800
  297   2HD   LYS  41          HD1       LYS  41 126.144   1.153 -14.404
  298   1HE   LYS  41          HE2       LYS  41 124.282   2.782 -14.151
  299   2HE   LYS  41          HE1       LYS  41 123.761   1.168 -14.632
  300   1HZ   LYS  41          HZ1       LYS  41 123.693   2.196 -11.848
  301   2HZ   LYS  41          HZ2       LYS  41 123.081   0.716 -12.391
  302   3HZ   LYS  41          HZ3       LYS  41 122.361   2.162 -12.891
  303    H    GLU  42           HN       GLU  42 124.835  -0.964  -8.311
  304    HA   GLU  42           HA       GLU  42 127.561  -0.973  -7.234
  305   1HB   GLU  42          HB2       GLU  42 124.971   0.087  -6.099
  306   2HB   GLU  42          HB1       GLU  42 126.505   0.107  -5.240
  307   1HG   GLU  42          HG2       GLU  42 126.458   1.319  -7.936
  308   2HG   GLU  42          HG1       GLU  42 125.606   2.174  -6.651
  309    H    CYS  43           HN       CYS  43 125.132  -3.146  -7.605
  310    HA   CYS  43           HA       CYS  43 125.417  -4.383  -4.976
  311   1HB   CYS  43          HB2       CYS  43 123.599  -4.916  -7.321
  312   2HB   CYS  43          HB1       CYS  43 123.716  -6.022  -5.958
  313    H    GLY  44           HN       GLY  44 126.809  -5.979  -4.613
  314   1HA   GLY  44          HA2       GLY  44 128.268  -7.718  -4.972
  315   2HA   GLY  44          HA1       GLY  44 127.375  -8.056  -6.447
  316    H    THR  45           HN       THR  45 128.549  -4.873  -6.289
  317    HA   THR  45           HA       THR  45 130.339  -5.324  -8.473
  318    HB   THR  45           HB       THR  45 130.511  -2.738  -7.084
  319    HG1  THR  45           HG1      THR  45 128.036  -3.736  -8.014
  320   1HG2  THR  45          HG21      THR  45 129.858  -1.901  -9.345
  321   2HG2  THR  45          HG22      THR  45 129.867  -3.577  -9.892
  322   3HG2  THR  45          HG23      THR  45 131.351  -2.838  -9.290
  323    H    ASN  46           HN       ASN  46 132.163  -6.419  -7.992
  324    HA   ASN  46           HA       ASN  46 133.606  -6.006  -5.541
  325   1HB   ASN  46          HB2       ASN  46 133.644  -8.203  -6.541
  326   2HB   ASN  46          HB1       ASN  46 134.259  -7.554  -8.056
  327   1HD2  ASN  46          HD21      ASN  46 135.091  -7.536  -4.604
  328   2HD2  ASN  46          HD22      ASN  46 136.780  -7.812  -4.835
  329    H    GLU  47           HN       GLU  47 133.655  -3.611  -6.030
  330    HA   GLU  47           HA       GLU  47 135.557  -2.720  -8.001
  331   1HB   GLU  47          HB2       GLU  47 134.215  -1.137  -5.808
  332   2HB   GLU  47          HB1       GLU  47 135.018  -0.486  -7.229
  333   1HG   GLU  47          HG2       GLU  47 133.257  -0.872  -8.570
  334   2HG   GLU  47          HG1       GLU  47 132.844  -2.389  -7.770
  335    H    CYS  48           HN       CYS  48 135.589  -3.406  -4.579
  336    HA   CYS  48           HA       CYS  48 137.796  -1.901  -3.812
  337   1HB   CYS  48          HB2       CYS  48 136.740  -4.518  -2.817
  338   2HB   CYS  48          HB1       CYS  48 138.108  -3.710  -2.066
  339    H    LEU  49           HN       LEU  49 137.900  -5.409  -4.093
  340    HA   LEU  49           HA       LEU  49 140.668  -5.636  -4.389
  341   1HB   LEU  49          HB2       LEU  49 138.604  -7.499  -5.568
  342   2HB   LEU  49          HB1       LEU  49 140.271  -7.889  -5.188
  343    HG   LEU  49           HG       LEU  49 138.151  -7.181  -3.159
  344   1HD1  LEU  49          HD11      LEU  49 138.818  -9.705  -2.591
  345   2HD1  LEU  49          HD12      LEU  49 139.057  -9.734  -4.338
  346   3HD1  LEU  49          HD13      LEU  49 137.489  -9.282  -3.671
  347   1HD2  LEU  49          HD21      LEU  49 139.940  -8.171  -1.613
  348   2HD2  LEU  49          HD22      LEU  49 140.190  -6.534  -2.220
  349   3HD2  LEU  49          HD23      LEU  49 141.059  -7.887  -2.946
  350    H    ASP  50           HN       ASP  50 138.387  -4.402  -6.518
  351    HA   ASP  50           HA       ASP  50 139.268  -5.150  -8.992
  352   1HB   ASP  50          HB2       ASP  50 137.215  -3.749  -8.215
  353   2HB   ASP  50          HB1       ASP  50 138.283  -2.380  -8.523
  354    H    ASN  51           HN       ASN  51 141.037  -3.261  -6.773
  355    HA   ASN  51           HA       ASN  51 142.789  -2.403  -8.961
  356   1HB   ASN  51          HB2       ASN  51 143.132  -0.211  -7.761
  357   2HB   ASN  51          HB1       ASN  51 141.534  -0.427  -8.450
  358   1HD2  ASN  51          HD21      ASN  51 142.999   0.828  -5.915
  359   2HD2  ASN  51          HD22      ASN  51 141.800   0.589  -4.696
  360    H    ASN  52           HN       ASN  52 143.881  -0.933  -6.239
  361    HA   ASN  52           HA       ASN  52 146.003  -2.847  -5.835
  362   1HB   ASN  52          HB2       ASN  52 146.857  -1.091  -4.283
  363   2HB   ASN  52          HB1       ASN  52 146.492  -0.447  -5.879
  364   1HD2  ASN  52          HD21      ASN  52 145.116  -0.854  -2.657
  365   2HD2  ASN  52          HD22      ASN  52 144.121   0.550  -2.713
  366    H    GLY  53           HN       GLY  53 143.219  -1.560  -4.209
  367   1HA   GLY  53          HA2       GLY  53 142.842  -3.781  -2.504
  368   2HA   GLY  53          HA1       GLY  53 143.602  -2.472  -1.622
  369    H    GLY  54           HN       GLY  54 141.442  -1.823  -4.284
  370   1HA   GLY  54          HA2       GLY  54 139.283  -1.066  -4.377
  371   2HA   GLY  54          HA1       GLY  54 139.118  -1.415  -2.668
  372    H    CYS  55           HN       CYS  55 141.269   0.035  -1.771
  373    HA   CYS  55           HA       CYS  55 140.690   2.788  -2.461
  374   1HB   CYS  55          HB2       CYS  55 140.317   1.400   0.142
  375   2HB   CYS  55          HB1       CYS  55 140.964   3.030   0.184
  376    H    SER  56           HN       SER  56 142.663   0.667  -0.386
  377    HA   SER  56           HA       SER  56 145.029   1.701  -1.562
  378   1HB   SER  56          HB2       SER  56 144.178   3.187   0.524
  379   2HB   SER  56          HB1       SER  56 145.135   1.978   1.381
  380    HG   SER  56           HG       SER  56 146.740   3.225   0.836
  381    H    HIS  57           HN       HIS  57 143.990   0.017   1.399
  382    HA   HIS  57           HA       HIS  57 145.915  -2.111   0.723
  383   1HB   HIS  57          HB2       HIS  57 144.836  -1.339   3.438
  384   2HB   HIS  57          HB1       HIS  57 146.018  -2.602   3.120
  385    HD1  HIS  57           HD1      HIS  57 147.087  -0.628   4.981
  386    HD2  HIS  57           HD2      HIS  57 147.152   0.048   0.885
  387    HE1  HIS  57           HE1      HIS  57 148.856   1.126   4.617
  388    HE2  HIS  57           HE2      HIS  57 148.826   1.574   2.140
  389    H    VAL  58           HN       VAL  58 143.049  -1.880   2.816
  390    HA   VAL  58           HA       VAL  58 141.913  -4.153   1.346
  391    HB   VAL  58           HB       VAL  58 140.870  -4.617   3.789
  392   1HG1  VAL  58          HG11      VAL  58 142.231  -6.062   2.110
  393   2HG1  VAL  58          HG12      VAL  58 142.122  -6.551   3.801
  394   3HG1  VAL  58          HG13      VAL  58 143.573  -5.743   3.208
  395   1HG2  VAL  58          HG21      VAL  58 143.686  -4.085   4.579
  396   2HG2  VAL  58          HG22      VAL  58 142.224  -4.129   5.563
  397   3HG2  VAL  58          HG23      VAL  58 142.561  -2.727   4.549
  398    H    CYS  59           HN       CYS  59 140.131  -3.516   0.427
  399    HA   CYS  59           HA       CYS  59 138.430  -1.546   1.799
  400   1HB   CYS  59          HB2       CYS  59 139.146  -0.440  -0.089
  401   2HB   CYS  59          HB1       CYS  59 139.223  -1.884  -1.068
  402    H    ASN  60           HN       ASN  60 136.406  -2.066   2.259
  403    HA   ASN  60           HA       ASN  60 135.446  -4.720   1.482
  404   1HB   ASN  60          HB2       ASN  60 133.698  -4.307   3.238
  405   2HB   ASN  60          HB1       ASN  60 135.350  -4.304   3.846
  406   1HD2  ASN  60          HD21      ASN  60 132.952  -3.095   4.962
  407   2HD2  ASN  60          HD22      ASN  60 133.293  -1.408   5.121
  408    H    ASP  61           HN       ASP  61 134.276  -4.807  -0.318
  409    HA   ASP  61           HA       ASP  61 132.784  -2.491  -1.217
  410   1HB   ASP  61          HB2       ASP  61 134.153  -4.461  -2.541
  411   2HB   ASP  61          HB1       ASP  61 132.481  -4.974  -2.748
  412    H    LEU  62           HN       LEU  62 130.853  -2.143  -0.391
  413    HA   LEU  62           HA       LEU  62 129.155  -4.414   0.341
  414   1HB   LEU  62          HB2       LEU  62 128.905  -1.467   0.917
  415   2HB   LEU  62          HB1       LEU  62 127.676  -2.636   1.338
  416    HG   LEU  62           HG       LEU  62 130.488  -2.505   2.419
  417   1HD1  LEU  62          HD11      LEU  62 128.839  -2.471   4.547
  418   2HD1  LEU  62          HD12      LEU  62 127.838  -1.634   3.361
  419   3HD1  LEU  62          HD13      LEU  62 129.443  -1.019   3.750
  420   1HD2  LEU  62          HD21      LEU  62 129.291  -4.349   3.948
  421   2HD2  LEU  62          HD22      LEU  62 130.239  -4.752   2.516
  422   3HD2  LEU  62          HD23      LEU  62 128.479  -4.673   2.416
  423    H    LYS  63           HN       LYS  63 126.926  -4.482  -0.315
  424    HA   LYS  63           HA       LYS  63 126.570  -4.191  -3.068
  425   1HB   LYS  63          HB2       LYS  63 124.248  -4.789  -2.674
  426   2HB   LYS  63          HB1       LYS  63 125.303  -5.776  -1.671
  427   1HG   LYS  63          HG2       LYS  63 124.348  -3.318  -0.392
  428   2HG   LYS  63          HG1       LYS  63 123.090  -4.489  -0.791
  429   1HD   LYS  63          HD2       LYS  63 123.791  -5.959   0.763
  430   2HD   LYS  63          HD1       LYS  63 125.496  -5.638   0.439
  431   1HE   LYS  63          HE2       LYS  63 124.789  -3.307   1.585
  432   2HE   LYS  63          HE1       LYS  63 123.663  -4.397   2.393
  433   1HZ   LYS  63          HZ1       LYS  63 126.549  -4.204   2.631
  434   2HZ   LYS  63          HZ2       LYS  63 125.927  -5.777   2.601
  435   3HZ   LYS  63          HZ3       LYS  63 125.395  -4.681   3.775
  436    H    ILE  64           HN       ILE  64 126.210  -1.886  -0.542
  437    HA   ILE  64           HA       ILE  64 124.848  -0.062  -2.406
  438    HB   ILE  64           HB       ILE  64 123.514  -0.682  -0.396
  439   1HG1  ILE  64          HG12      ILE  64 123.670   2.066   0.260
  440   2HG1  ILE  64          HG11      ILE  64 124.065   1.930  -1.452
  441   1HG2  ILE  64          HG21      ILE  64 125.958  -0.038   0.946
  442   2HG2  ILE  64          HG22      ILE  64 124.488  -0.765   1.592
  443   3HG2  ILE  64          HG23      ILE  64 124.659   0.989   1.552
  444   1HD1  ILE  64          HD11      ILE  64 121.997   0.886  -1.931
  445   2HD1  ILE  64          HD12      ILE  64 121.648   2.289  -0.921
  446   3HD1  ILE  64          HD13      ILE  64 121.636   0.670  -0.218
  447    H    GLY  65           HN       GLY  65 127.767  -0.505  -2.112
  448   1HA   GLY  65          HA2       GLY  65 129.085   1.571  -2.672
  449   2HA   GLY  65          HA1       GLY  65 128.534   2.167  -1.115
  450    H    TYR  66           HN       TYR  66 131.231   1.422  -2.351
  451    HA   TYR  66           HA       TYR  66 132.123  -0.553  -0.389
  452   1HB   TYR  66          HB2       TYR  66 134.158  -0.714  -1.704
  453   2HB   TYR  66          HB1       TYR  66 132.759  -0.881  -2.755
  454    HD1  TYR  66           HD1      TYR  66 135.148   1.716  -1.529
  455    HD2  TYR  66           HD2      TYR  66 132.672   0.356  -4.712
  456    HE1  TYR  66           HE1      TYR  66 136.018   3.511  -2.966
  457    HE2  TYR  66           HE2      TYR  66 133.534   2.149  -6.156
  458    HH   TYR  66           HH       TYR  66 136.223   3.750  -5.692
  459    H    GLU  67           HN       GLU  67 133.675  -0.141   1.140
  460    HA   GLU  67           HA       GLU  67 134.506   2.671   1.438
  461   1HB   GLU  67          HB2       GLU  67 134.564   1.499   3.996
  462   2HB   GLU  67          HB1       GLU  67 133.474   2.746   3.413
  463   1HG   GLU  67          HG2       GLU  67 132.962  -0.205   3.135
  464   2HG   GLU  67          HG1       GLU  67 132.357   0.788   4.460
  465    H    CYS  68           HN       CYS  68 136.464   2.896   2.882
  466    HA   CYS  68           HA       CYS  68 138.421   0.882   2.060
  467   1HB   CYS  68          HB2       CYS  68 139.200   3.439   3.397
  468   2HB   CYS  68          HB1       CYS  68 140.046   2.528   2.153
  469    H    LEU  69           HN       LEU  69 139.569  -0.332   3.465
  470    HA   LEU  69           HA       LEU  69 139.138   0.128   6.344
  471   1HB   LEU  69          HB2       LEU  69 139.432  -2.592   5.087
  472   2HB   LEU  69          HB1       LEU  69 138.963  -2.217   6.731
  473    HG   LEU  69           HG       LEU  69 137.315  -1.769   4.245
  474   1HD1  LEU  69          HD11      LEU  69 137.103  -4.009   4.720
  475   2HD1  LEU  69          HD12      LEU  69 135.787  -3.323   5.672
  476   3HD1  LEU  69          HD13      LEU  69 137.301  -3.770   6.456
  477   1HD2  LEU  69          HD21      LEU  69 135.724  -0.658   5.465
  478   2HD2  LEU  69          HD22      LEU  69 137.190  -0.064   6.246
  479   3HD2  LEU  69          HD23      LEU  69 136.253  -1.355   6.996
  480    H    CYS  70           HN       CYS  70 140.832  -0.737   7.740
  481    HA   CYS  70           HA       CYS  70 143.293  -1.673   6.692
  482   1HB   CYS  70          HB2       CYS  70 142.899   1.206   6.813
  483   2HB   CYS  70          HB1       CYS  70 144.276   0.693   7.782
  484    HA   PRO  71           HA       PRO  71 144.150  -2.988  10.795
  485   1HB   PRO  71          HB2       PRO  71 146.636  -1.784  11.292
  486   2HB   PRO  71          HB1       PRO  71 146.372  -3.371  10.568
  487   1HG   PRO  71          HG2       PRO  71 146.936  -0.757   9.255
  488   2HG   PRO  71          HG1       PRO  71 147.460  -2.387   8.791
  489   1HD   PRO  71          HD2       PRO  71 145.502  -1.132   7.472
  490   2HD   PRO  71          HD1       PRO  71 145.430  -2.881   7.771
  491    H    ASP  72           HN       ASP  72 143.804  -2.331  12.873
  492    HA   ASP  72           HA       ASP  72 142.596   0.077  13.407
  493   1HB   ASP  72          HB2       ASP  72 142.987  -2.177  14.830
  494   2HB   ASP  72          HB1       ASP  72 144.116  -1.108  15.657
  495    H    GLY  73           HN       GLY  73 143.270   1.825  14.842
  496   1HA   GLY  73          HA2       GLY  73 144.646   3.562  15.433
  497   2HA   GLY  73          HA1       GLY  73 145.971   2.413  15.390
  498    H    PHE  74           HN       PHE  74 144.383   2.551  12.386
  499    HA   PHE  74           HA       PHE  74 146.495   4.349  11.396
  500   1HB   PHE  74          HB2       PHE  74 145.150   1.985  10.152
  501   2HB   PHE  74          HB1       PHE  74 145.848   3.224   9.131
  502    HD1  PHE  74           HD1      PHE  74 147.761   2.360   8.194
  503    HD2  PHE  74           HD2      PHE  74 147.028   1.749  12.340
  504    HE1  PHE  74           HE1      PHE  74 149.978   1.319   8.428
  505    HE2  PHE  74           HE2      PHE  74 149.243   0.706  12.583
  506    HZ   PHE  74           HZ       PHE  74 150.722   0.491  10.625
  507    H    GLN  75           HN       GLN  75 146.037   6.019  10.105
  508    HA   GLN  75           HA       GLN  75 143.213   6.772   9.882
  509   1HB   GLN  75          HB2       GLN  75 145.388   8.197  10.819
  510   2HB   GLN  75          HB1       GLN  75 145.178   8.825   9.191
  511   1HG   GLN  75          HG2       GLN  75 142.922   9.464   9.657
  512   2HG   GLN  75          HG1       GLN  75 142.971   8.662  11.226
  513   1HE2  GLN  75          HE21      GLN  75 145.086   9.453  12.475
  514   2HE2  GLN  75          HE22      GLN  75 145.192  11.173  12.612
  515    H    LEU  76           HN       LEU  76 142.346   6.251   8.003
  516    HA   LEU  76           HA       LEU  76 143.879   5.887   5.620
  517   1HB   LEU  76          HB2       LEU  76 142.012   4.465   5.906
  518   2HB   LEU  76          HB1       LEU  76 140.945   5.807   6.260
  519    HG   LEU  76           HG       LEU  76 141.813   6.332   3.669
  520   1HD1  LEU  76          HD11      LEU  76 141.123   3.409   3.869
  521   2HD1  LEU  76          HD12      LEU  76 142.758   4.026   3.636
  522   3HD1  LEU  76          HD13      LEU  76 141.521   4.322   2.415
  523   1HD2  LEU  76          HD21      LEU  76 139.508   5.677   3.057
  524   2HD2  LEU  76          HD22      LEU  76 139.579   6.719   4.478
  525   3HD2  LEU  76          HD23      LEU  76 139.307   4.987   4.667
  526    H    VAL  77           HN       VAL  77 144.662   7.571   4.489
  527    HA   VAL  77           HA       VAL  77 143.377  10.141   4.575
  528    HB   VAL  77           HB       VAL  77 145.526   9.536   2.596
  529   1HG1  VAL  77          HG11      VAL  77 145.529  11.884   4.406
  530   2HG1  VAL  77          HG12      VAL  77 144.277  11.802   3.167
  531   3HG1  VAL  77          HG13      VAL  77 145.979  11.762   2.706
  532   1HG2  VAL  77          HG21      VAL  77 147.192  10.027   4.460
  533   2HG2  VAL  77          HG22      VAL  77 146.473   8.417   4.439
  534   3HG2  VAL  77          HG23      VAL  77 145.889   9.630   5.579
  535    H    ALA  78           HN       ALA  78 142.015  11.002   3.088
  536    HA   ALA  78           HA       ALA  78 140.508  11.026   1.366
  537   1HB   ALA  78          HB1       ALA  78 143.067  10.165   0.152
  538   2HB   ALA  78          HB2       ALA  78 142.028  11.535  -0.243
  539   3HB   ALA  78          HB3       ALA  78 141.613   9.919  -0.815
  540    H    GLN  79           HN       GLN  79 139.624   9.360  -0.525
  541    HA   GLN  79           HA       GLN  79 138.841   7.032   1.029
  542   1HB   GLN  79          HB2       GLN  79 137.798   8.370  -1.442
  543   2HB   GLN  79          HB1       GLN  79 137.329   6.714  -1.081
  544   1HG   GLN  79          HG2       GLN  79 135.622   7.916  -0.127
  545   2HG   GLN  79          HG1       GLN  79 136.699   7.665   1.245
  546   1HE2  GLN  79          HE21      GLN  79 137.083   9.386   2.428
  547   2HE2  GLN  79          HE22      GLN  79 136.998  11.029   1.902
  548    H    ARG  80           HN       ARG  80 141.518   6.935   0.168
  549    HA   ARG  80           HA       ARG  80 141.606   4.384  -1.009
  550   1HB   ARG  80          HB2       ARG  80 141.899   6.685  -2.825
  551   2HB   ARG  80          HB1       ARG  80 143.020   5.368  -3.036
  552   1HG   ARG  80          HG2       ARG  80 140.362   4.344  -2.820
  553   2HG   ARG  80          HG1       ARG  80 140.406   5.622  -4.030
  554   1HD   ARG  80          HD2       ARG  80 142.699   3.921  -4.322
  555   2HD   ARG  80          HD1       ARG  80 141.230   2.949  -4.313
  556    HE   ARG  80           HE       ARG  80 140.640   3.862  -6.334
  557   1HH1  ARG  80          HH11      ARG  80 143.275   5.702  -4.970
  558   2HH1  ARG  80          HH12      ARG  80 143.545   6.620  -6.413
  559   1HH2  ARG  80          HH21      ARG  80 140.994   5.068  -8.231
  560   2HH2  ARG  80          HH22      ARG  80 142.251   6.261  -8.263
  561    H    ARG  81           HN       ARG  81 142.816   6.077   1.125
  562    HA   ARG  81           HA       ARG  81 145.566   5.214   0.703
  563   1HB   ARG  81          HB2       ARG  81 144.799   7.918   0.499
  564   2HB   ARG  81          HB1       ARG  81 145.650   7.751   2.028
  565   1HG   ARG  81          HG2       ARG  81 147.502   8.021   0.821
  566   2HG   ARG  81          HG1       ARG  81 147.256   6.347   0.319
  567   1HD   ARG  81          HD2       ARG  81 146.181   7.013  -1.685
  568   2HD   ARG  81          HD1       ARG  81 146.045   8.684  -1.139
  569    HE   ARG  81           HE       ARG  81 148.198   9.052  -1.830
  570   1HH1  ARG  81          HH11      ARG  81 147.613   5.614  -1.726
  571   2HH1  ARG  81          HH12      ARG  81 149.106   5.210  -2.503
  572   1HH2  ARG  81          HH21      ARG  81 150.163   8.523  -2.852
  573   2HH2  ARG  81          HH22      ARG  81 150.555   6.861  -3.142
  574    H    CYS  82           HN       CYS  82 146.647   4.574   2.497
  575    HA   CYS  82           HA       CYS  82 145.182   4.754   5.041
  576   1HB   CYS  82          HB2       CYS  82 146.593   2.451   3.770
  577   2HB   CYS  82          HB1       CYS  82 146.507   2.552   5.522
  578    H    GLU  83           HN       GLU  83 146.404   4.957   6.951
  579    HA   GLU  83           HA       GLU  83 148.748   6.536   6.676
  580   1HB   GLU  83          HB2       GLU  83 147.086   6.743   8.535
  581   2HB   GLU  83          HB1       GLU  83 147.695   5.229   9.185
  582   1HG   GLU  83          HG2       GLU  83 149.220   6.363  10.309
  583   2HG   GLU  83          HG1       GLU  83 149.938   6.866   8.779
  Start of MODEL   11
    1   1H    GLY   1           HT1      GLY   1 123.611  24.262   3.952
    2   2H    GLY   1           HT2      GLY   1 123.687  23.668   2.369
    3   3H    GLY   1           HT3      GLY   1 123.543  22.595   3.668
    4   1HA   GLY   1          HA1       GLY   1 121.359  23.657   4.201
    5   2HA   GLY   1          HA2       GLY   1 121.506  24.502   2.667
    6    H    ASN   2           HN       ASN   2 122.146  21.152   3.706
    7    HA   ASN   2           HA       ASN   2 120.942  20.148   1.279
    8   1HB   ASN   2          HB2       ASN   2 122.112  18.688   3.658
    9   2HB   ASN   2          HB1       ASN   2 121.596  17.927   2.156
   10   1HD2  ASN   2          HD21      ASN   2 123.908  20.111   3.611
   11   2HD2  ASN   2          HD22      ASN   2 125.104  19.978   2.372
   12    H    VAL   3           HN       VAL   3 119.044  19.026   1.091
   13    HA   VAL   3           HA       VAL   3 117.131  19.403   3.248
   14    HB   VAL   3           HB       VAL   3 115.490  18.484   1.552
   15   1HG1  VAL   3          HG11      VAL   3 115.116  20.574   0.741
   16   2HG1  VAL   3          HG12      VAL   3 116.805  20.825   0.299
   17   3HG1  VAL   3          HG13      VAL   3 116.302  20.979   1.982
   18   1HG2  VAL   3          HG21      VAL   3 117.727  17.627   0.238
   19   2HG2  VAL   3          HG22      VAL   3 117.299  19.078  -0.670
   20   3HG2  VAL   3          HG23      VAL   3 116.123  17.777  -0.480
   21    H    THR   4           HN       THR   4 117.239  17.893   4.797
   22    HA   THR   4           HA       THR   4 117.118  15.073   3.957
   23    HB   THR   4           HB       THR   4 118.296  14.687   6.260
   24    HG1  THR   4           HG1      THR   4 118.273  16.876   6.891
   25   1HG2  THR   4          HG21      THR   4 119.613  15.562   3.731
   26   2HG2  THR   4          HG22      THR   4 119.525  13.955   4.452
   27   3HG2  THR   4          HG23      THR   4 120.574  15.183   5.160
   28    H    LEU   5           HN       LEU   5 115.337  14.081   4.616
   29    HA   LEU   5           HA       LEU   5 113.847  15.231   6.877
   30   1HB   LEU   5          HB2       LEU   5 112.724  13.367   4.800
   31   2HB   LEU   5          HB1       LEU   5 111.848  14.397   5.917
   32    HG   LEU   5           HG       LEU   5 113.173  16.293   4.562
   33   1HD1  LEU   5          HD11      LEU   5 112.519  14.576   2.260
   34   2HD1  LEU   5          HD12      LEU   5 113.988  14.159   3.143
   35   3HD1  LEU   5          HD13      LEU   5 113.798  15.774   2.460
   36   1HD2  LEU   5          HD21      LEU   5 111.154  16.729   3.411
   37   2HD2  LEU   5          HD22      LEU   5 110.697  15.966   4.934
   38   3HD2  LEU   5          HD23      LEU   5 110.685  15.029   3.440
   39    H    CYS   6           HN       CYS   6 115.246  12.313   5.564
   40    HA   CYS   6           HA       CYS   6 114.597  10.933   8.085
   41   1HB   CYS   6          HB2       CYS   6 113.941  10.162   5.413
   42   2HB   CYS   6          HB1       CYS   6 115.109   9.009   6.048
   43    H    GLU   7           HN       GLU   7 116.499  11.257   9.144
   44    HA   GLU   7           HA       GLU   7 118.856   9.955   7.982
   45   1HB   GLU   7          HB2       GLU   7 118.846  12.552   7.828
   46   2HB   GLU   7          HB1       GLU   7 119.160  12.492   9.557
   47   1HG   GLU   7          HG2       GLU   7 121.158  11.117   9.114
   48   2HG   GLU   7          HG1       GLU   7 120.860  11.292   7.385
   49    H    GLY   8           HN       GLY   8 119.730   8.522   9.328
   50   1HA   GLY   8          HA2       GLY   8 119.934   8.962  12.148
   51   2HA   GLY   8          HA1       GLY   8 118.682   7.792  11.762
   52    HA   PRO   9           HA       PRO   9 122.925   5.731  12.033
   53   1HB   PRO   9          HB2       PRO   9 122.330   4.032  14.070
   54   2HB   PRO   9          HB1       PRO   9 122.999   5.647  14.325
   55   1HG   PRO   9          HG2       PRO   9 120.161   4.721  14.521
   56   2HG   PRO   9          HG1       PRO   9 121.059   5.812  15.591
   57   1HD   PRO   9          HD2       PRO   9 119.323   6.714  13.722
   58   2HD   PRO   9          HD1       PRO   9 120.773   7.623  14.194
   59    H    ASN  10           HN       ASN  10 119.607   4.600  12.096
   60    HA   ASN  10           HA       ASN  10 120.425   2.281  10.474
   61   1HB   ASN  10          HB2       ASN  10 118.512   1.039  11.452
   62   2HB   ASN  10          HB1       ASN  10 119.720   1.485  12.655
   63   1HD2  ASN  10          HD21      ASN  10 118.923   2.227  14.470
   64   2HD2  ASN  10          HD22      ASN  10 117.423   3.062  14.665
   65    H    LYS  11           HN       LYS  11 119.393   5.080   9.857
   66    HA   LYS  11           HA       LYS  11 116.826   4.523   8.616
   67   1HB   LYS  11          HB2       LYS  11 118.515   6.984   8.950
   68   2HB   LYS  11          HB1       LYS  11 117.187   6.965   7.798
   69   1HG   LYS  11          HG2       LYS  11 115.899   6.031   9.946
   70   2HG   LYS  11          HG1       LYS  11 117.142   6.994  10.749
   71   1HD   LYS  11          HD2       LYS  11 116.443   8.975   9.674
   72   2HD   LYS  11          HD1       LYS  11 115.459   8.087   8.509
   73   1HE   LYS  11          HE2       LYS  11 113.724   7.870   9.939
   74   2HE   LYS  11          HE1       LYS  11 114.771   7.671  11.343
   75   1HZ   LYS  11          HZ1       LYS  11 115.206  10.087  11.240
   76   2HZ   LYS  11          HZ2       LYS  11 113.584   9.719  11.545
   77   3HZ   LYS  11          HZ3       LYS  11 114.061  10.223  10.002
   78    H    PHE  12           HN       PHE  12 116.443   4.917   6.350
   79    HA   PHE  12           HA       PHE  12 118.662   5.056   4.530
   80   1HB   PHE  12          HB2       PHE  12 118.718   2.669   5.162
   81   2HB   PHE  12          HB1       PHE  12 117.042   2.504   4.650
   82    HD1  PHE  12           HD1      PHE  12 120.436   2.300   3.655
   83    HD2  PHE  12           HD2      PHE  12 116.515   3.085   2.200
   84    HE1  PHE  12           HE1      PHE  12 121.190   1.801   1.367
   85    HE2  PHE  12           HE2      PHE  12 117.261   2.586  -0.091
   86    HZ   PHE  12           HZ       PHE  12 119.601   1.943  -0.510
   87    H    LYS  13           HN       LYS  13 118.037   5.684   2.479
   88    HA   LYS  13           HA       LYS  13 115.169   6.227   2.167
   89   1HB   LYS  13          HB2       LYS  13 115.900   7.866   0.429
   90   2HB   LYS  13          HB1       LYS  13 116.480   8.237   2.045
   91   1HG   LYS  13          HG2       LYS  13 118.553   8.309   1.282
   92   2HG   LYS  13          HG1       LYS  13 118.434   6.620   0.788
   93   1HD   LYS  13          HD2       LYS  13 119.066   8.051  -1.090
   94   2HD   LYS  13          HD1       LYS  13 117.487   7.309  -1.357
   95   1HE   LYS  13          HE2       LYS  13 116.355   9.296  -1.072
   96   2HE   LYS  13          HE1       LYS  13 117.638  10.007  -0.094
   97   1HZ   LYS  13          HZ1       LYS  13 118.065  11.104  -1.995
   98   2HZ   LYS  13          HZ2       LYS  13 117.325   9.944  -2.980
   99   3HZ   LYS  13          HZ3       LYS  13 118.900   9.693  -2.413
  100    H    CYS  14           HN       CYS  14 114.063   4.972   0.811
  101    HA   CYS  14           HA       CYS  14 115.499   3.747  -1.450
  102   1HB   CYS  14          HB2       CYS  14 115.112   2.060   0.281
  103   2HB   CYS  14          HB1       CYS  14 113.398   2.454   0.299
  104    H    HIS  15           HN       HIS  15 114.098   3.135  -3.261
  105    HA   HIS  15           HA       HIS  15 112.405   3.453  -4.754
  106   1HB   HIS  15          HB2       HIS  15 111.016   3.354  -2.475
  107   2HB   HIS  15          HB1       HIS  15 110.740   5.049  -2.864
  108    HD1  HIS  15           HD1      HIS  15 108.219   3.746  -2.956
  109    HD2  HIS  15           HD2      HIS  15 110.839   3.350  -6.157
  110    HE1  HIS  15           HE1      HIS  15 106.791   3.068  -4.911
  111    HE2  HIS  15           HE2      HIS  15 108.379   2.954  -6.863
  112    H    SER  16           HN       SER  16 110.677   5.941  -4.653
  113    HA   SER  16           HA       SER  16 112.647   7.687  -5.871
  114   1HB   SER  16          HB2       SER  16 110.293   7.090  -6.815
  115   2HB   SER  16          HB1       SER  16 109.716   8.319  -5.689
  116    HG   SER  16           HG       SER  16 110.153   9.278  -7.670
  117    H    GLY  17           HN       GLY  17 112.430   7.306  -2.895
  118   1HA   GLY  17          HA2       GLY  17 113.317   9.290  -1.618
  119   2HA   GLY  17          HA1       GLY  17 111.848  10.098  -2.141
  120    H    GLU  18           HN       GLU  18 112.154   6.752  -1.048
  121    HA   GLU  18           HA       GLU  18 110.171   7.310   1.025
  122   1HB   GLU  18          HB2       GLU  18 110.299   5.279  -0.750
  123   2HB   GLU  18          HB1       GLU  18 111.144   4.545   0.606
  124   1HG   GLU  18          HG2       GLU  18 109.126   3.958   1.328
  125   2HG   GLU  18          HG1       GLU  18 108.951   5.645   1.813
  126    H    CYS  19           HN       CYS  19 110.530   5.754   3.036
  127    HA   CYS  19           HA       CYS  19 113.340   5.959   3.881
  128   1HB   CYS  19          HB2       CYS  19 111.900   7.836   4.783
  129   2HB   CYS  19          HB1       CYS  19 111.007   6.614   5.683
  130    H    ILE  20           HN       ILE  20 114.126   4.105   4.658
  131    HA   ILE  20           HA       ILE  20 112.461   2.284   6.154
  132    HB   ILE  20           HB       ILE  20 113.213   0.338   4.771
  133   1HG1  ILE  20          HG12      ILE  20 113.986   2.522   2.825
  134   2HG1  ILE  20          HG11      ILE  20 115.076   1.376   3.598
  135   1HG2  ILE  20          HG21      ILE  20 111.545   0.702   2.957
  136   2HG2  ILE  20          HG22      ILE  20 111.424   2.384   3.475
  137   3HG2  ILE  20          HG23      ILE  20 110.950   1.088   4.573
  138   1HD1  ILE  20          HD11      ILE  20 114.806   0.519   1.466
  139   2HD1  ILE  20          HD12      ILE  20 113.087   0.907   1.420
  140   3HD1  ILE  20          HD13      ILE  20 113.663  -0.422   2.421
  141    H    THR  21           HN       THR  21 114.027   0.307   6.743
  142    HA   THR  21           HA       THR  21 116.291   1.594   7.950
  143    HB   THR  21           HB       THR  21 116.439  -0.190   9.332
  144    HG1  THR  21           HG1      THR  21 116.786  -2.046   8.448
  145   1HG2  THR  21          HG21      THR  21 114.337  -0.959  10.014
  146   2HG2  THR  21          HG22      THR  21 113.667  -0.802   8.390
  147   3HG2  THR  21          HG23      THR  21 114.062   0.640   9.325
  148    H    LEU  22           HN       LEU  22 118.464   0.973   7.752
  149    HA   LEU  22           HA       LEU  22 119.252   0.465   5.050
  150   1HB   LEU  22          HB2       LEU  22 121.514   0.798   5.857
  151   2HB   LEU  22          HB1       LEU  22 120.445   2.047   6.467
  152    HG   LEU  22           HG       LEU  22 120.288   0.535   8.581
  153   1HD1  LEU  22          HD11      LEU  22 121.446  -1.364   8.414
  154   2HD1  LEU  22          HD12      LEU  22 122.888  -0.368   8.609
  155   3HD1  LEU  22          HD13      LEU  22 122.328  -0.802   6.994
  156   1HD2  LEU  22          HD21      LEU  22 122.835   2.033   7.975
  157   2HD2  LEU  22          HD22      LEU  22 122.143   1.718   9.566
  158   3HD2  LEU  22          HD23      LEU  22 121.309   2.787   8.437
  159    H    ASP  23           HN       ASP  23 119.125  -1.426   7.994
  160    HA   ASP  23           HA       ASP  23 120.890  -3.431   7.552
  161   1HB   ASP  23          HB2       ASP  23 118.063  -3.818   8.514
  162   2HB   ASP  23          HB1       ASP  23 119.396  -4.937   8.763
  163    H    LYS  24           HN       LYS  24 117.443  -3.784   6.586
  164    HA   LYS  24           HA       LYS  24 117.973  -6.041   5.058
  165   1HB   LYS  24          HB2       LYS  24 115.658  -5.444   4.055
  166   2HB   LYS  24          HB1       LYS  24 115.774  -5.891   5.747
  167   1HG   LYS  24          HG2       LYS  24 114.284  -3.998   5.392
  168   2HG   LYS  24          HG1       LYS  24 115.670  -3.550   6.383
  169   1HD   LYS  24          HD2       LYS  24 116.652  -2.319   4.674
  170   2HD   LYS  24          HD1       LYS  24 115.727  -3.146   3.419
  171   1HE   LYS  24          HE2       LYS  24 114.565  -1.265   5.467
  172   2HE   LYS  24          HE1       LYS  24 114.970  -0.825   3.809
  173   1HZ   LYS  24          HZ1       LYS  24 112.666  -1.306   3.873
  174   2HZ   LYS  24          HZ2       LYS  24 112.907  -2.756   4.708
  175   3HZ   LYS  24          HZ3       LYS  24 113.403  -2.616   3.097
  176    H    VAL  25           HN       VAL  25 119.464  -3.463   4.346
  177    HA   VAL  25           HA       VAL  25 118.699  -2.570   1.813
  178    HB   VAL  25           HB       VAL  25 121.177  -2.474   3.426
  179   1HG1  VAL  25          HG11      VAL  25 122.364  -1.380   1.448
  180   2HG1  VAL  25          HG12      VAL  25 121.217  -2.267   0.443
  181   3HG1  VAL  25          HG13      VAL  25 122.311  -3.141   1.516
  182   1HG2  VAL  25          HG21      VAL  25 121.002  -0.122   3.031
  183   2HG2  VAL  25          HG22      VAL  25 119.396  -0.735   3.421
  184   3HG2  VAL  25          HG23      VAL  25 119.820  -0.377   1.747
  185    H    CYS  26           HN       CYS  26 118.863  -3.404  -0.173
  186    HA   CYS  26           HA       CYS  26 119.205  -4.901  -1.850
  187   1HB   CYS  26          HB2       CYS  26 121.517  -4.092  -1.627
  188   2HB   CYS  26          HB1       CYS  26 121.836  -5.331  -0.417
  189    H    ASN  27           HN       ASN  27 117.519  -5.953  -0.111
  190    HA   ASN  27           HA       ASN  27 118.503  -8.630   0.580
  191   1HB   ASN  27          HB2       ASN  27 116.466  -8.818   1.951
  192   2HB   ASN  27          HB1       ASN  27 117.413  -7.401   2.394
  193   1HD2  ASN  27          HD21      ASN  27 114.611  -7.905   2.852
  194   2HD2  ASN  27          HD22      ASN  27 113.744  -6.639   2.061
  195    H    MET  28           HN       MET  28 117.876 -10.377  -0.504
  196    HA   MET  28           HA       MET  28 116.968 -10.594  -2.962
  197   1HB   MET  28          HB2       MET  28 117.503 -12.457  -1.278
  198   2HB   MET  28          HB1       MET  28 115.781 -12.455  -0.923
  199   1HG   MET  28          HG2       MET  28 115.702 -14.007  -2.531
  200   2HG   MET  28          HG1       MET  28 115.714 -12.614  -3.610
  201   1HE   MET  28          HE1       MET  28 119.025 -14.073  -1.592
  202   2HE   MET  28          HE2       MET  28 119.158 -15.466  -2.666
  203   3HE   MET  28          HE3       MET  28 117.683 -15.209  -1.734
  204    H    ALA  29           HN       ALA  29 114.719 -10.258  -0.219
  205    HA   ALA  29           HA       ALA  29 112.382 -10.381  -1.843
  206   1HB   ALA  29          HB1       ALA  29 111.177  -9.754   0.146
  207   2HB   ALA  29          HB2       ALA  29 112.668  -9.225   0.926
  208   3HB   ALA  29          HB3       ALA  29 112.417 -10.934   0.571
  209    H    ARG  30           HN       ARG  30 111.104  -8.764  -2.649
  210    HA   ARG  30           HA       ARG  30 112.315  -6.385  -3.481
  211   1HB   ARG  30          HB2       ARG  30 109.915  -7.727  -3.983
  212   2HB   ARG  30          HB1       ARG  30 109.425  -6.158  -3.357
  213   1HG   ARG  30          HG2       ARG  30 111.521  -5.774  -5.248
  214   2HG   ARG  30          HG1       ARG  30 110.290  -6.817  -5.961
  215   1HD   ARG  30          HD2       ARG  30 109.699  -4.196  -4.596
  216   2HD   ARG  30          HD1       ARG  30 109.930  -4.370  -6.336
  217    HE   ARG  30           HE       ARG  30 107.994  -6.175  -5.797
  218   1HH1  ARG  30          HH11      ARG  30 108.357  -2.786  -5.045
  219   2HH1  ARG  30          HH12      ARG  30 106.655  -2.472  -5.061
  220   1HH2  ARG  30          HH21      ARG  30 105.755  -5.763  -5.818
  221   2HH2  ARG  30          HH22      ARG  30 105.177  -4.162  -5.499
  222    H    ASP  31           HN       ASP  31 112.402  -4.356  -2.677
  223    HA   ASP  31           HA       ASP  31 111.121  -3.895  -0.063
  224   1HB   ASP  31          HB2       ASP  31 113.863  -3.384  -1.037
  225   2HB   ASP  31          HB1       ASP  31 113.147  -2.092  -0.078
  226    H    CYS  32           HN       CYS  32 111.759  -2.628  -3.250
  227    HA   CYS  32           HA       CYS  32 109.757  -0.561  -2.793
  228   1HB   CYS  32          HB2       CYS  32 112.563   0.009  -3.754
  229   2HB   CYS  32          HB1       CYS  32 111.226   1.141  -3.933
  230    H    ARG  33           HN       ARG  33 109.374   0.654  -4.967
  231    HA   ARG  33           HA       ARG  33 108.842  -1.399  -6.937
  232   1HB   ARG  33          HB2       ARG  33 107.608   1.018  -6.158
  233   2HB   ARG  33          HB1       ARG  33 108.116   1.239  -7.826
  234   1HG   ARG  33          HG2       ARG  33 106.330   0.118  -8.487
  235   2HG   ARG  33          HG1       ARG  33 106.956  -1.319  -7.677
  236   1HD   ARG  33          HD2       ARG  33 104.657  -0.696  -6.974
  237   2HD   ARG  33          HD1       ARG  33 105.816  -0.747  -5.647
  238    HE   ARG  33           HE       ARG  33 105.524   1.870  -6.775
  239   1HH1  ARG  33          HH11      ARG  33 104.161  -0.408  -4.510
  240   2HH1  ARG  33          HH12      ARG  33 103.411   0.816  -3.539
  241   1HH2  ARG  33          HH21      ARG  33 104.538   3.480  -5.500
  242   2HH2  ARG  33          HH22      ARG  33 103.625   3.022  -4.102
  243    H    ASP  34           HN       ASP  34 110.926   1.401  -6.572
  244    HA   ASP  34           HA       ASP  34 111.834   1.240  -9.325
  245   1HB   ASP  34          HB2       ASP  34 112.602   3.040  -7.023
  246   2HB   ASP  34          HB1       ASP  34 113.361   3.120  -8.610
  247    H    TRP  35           HN       TRP  35 112.703  -0.042  -6.264
  248    HA   TRP  35           HA       TRP  35 114.354  -1.451  -5.607
  249   1HB   TRP  35          HB2       TRP  35 115.016  -1.495  -8.559
  250   2HB   TRP  35          HB1       TRP  35 115.786  -2.522  -7.356
  251    HD1  TRP  35           HD1      TRP  35 112.161  -1.801  -8.560
  252    HE1  TRP  35           HE1      TRP  35 110.866  -4.025  -8.528
  253    HE3  TRP  35           HE3      TRP  35 115.822  -4.843  -6.697
  254    HZ2  TRP  35           HZ2      TRP  35 111.335  -6.714  -7.808
  255    HZ3  TRP  35           HZ3      TRP  35 115.318  -7.229  -6.365
  256    HH2  TRP  35           HH2      TRP  35 113.120  -8.143  -6.910
  257    H    SER  36           HN       SER  36 114.689   1.407  -5.603
  258    HA   SER  36           HA       SER  36 117.273   2.164  -6.436
  259   1HB   SER  36          HB2       SER  36 115.874   3.405  -4.080
  260   2HB   SER  36          HB1       SER  36 116.912   4.176  -5.279
  261    HG   SER  36           HG       SER  36 114.234   3.344  -5.515
  262    H    ASP  37           HN       ASP  37 116.097   0.467  -3.651
  263    HA   ASP  37           HA       ASP  37 118.587   0.792  -2.185
  264   1HB   ASP  37          HB2       ASP  37 116.540   0.858  -0.893
  265   2HB   ASP  37          HB1       ASP  37 116.038  -0.702  -1.536
  266    H    GLU  38           HN       GLU  38 117.087  -1.473  -4.320
  267    HA   GLU  38           HA       GLU  38 119.085  -3.512  -3.622
  268   1HB   GLU  38          HB2       GLU  38 116.496  -3.758  -5.160
  269   2HB   GLU  38          HB1       GLU  38 117.629  -5.076  -4.897
  270   1HG   GLU  38          HG2       GLU  38 115.869  -5.299  -3.321
  271   2HG   GLU  38          HG1       GLU  38 117.309  -4.775  -2.449
  272    HA   PRO  39           HA       PRO  39 120.456  -1.791  -7.738
  273   1HB   PRO  39          HB2       PRO  39 123.013  -1.294  -7.074
  274   2HB   PRO  39          HB1       PRO  39 121.722  -0.141  -6.723
  275   1HG   PRO  39          HG2       PRO  39 123.016  -2.141  -4.904
  276   2HG   PRO  39          HG1       PRO  39 122.620  -0.441  -4.591
  277   1HD   PRO  39          HD2       PRO  39 121.059  -2.495  -3.742
  278   2HD   PRO  39          HD1       PRO  39 120.407  -0.903  -4.177
  279    H    ILE  40           HN       ILE  40 120.293  -3.819  -8.690
  280    HA   ILE  40           HA       ILE  40 121.604  -6.146  -8.024
  281    HB   ILE  40           HB       ILE  40 120.994  -5.269 -10.847
  282   1HG1  ILE  40          HG12      ILE  40 119.234  -6.617  -8.786
  283   2HG1  ILE  40          HG11      ILE  40 119.012  -5.005  -9.458
  284   1HG2  ILE  40          HG21      ILE  40 120.660  -8.078 -10.111
  285   2HG2  ILE  40          HG22      ILE  40 122.324  -7.505 -10.003
  286   3HG2  ILE  40          HG23      ILE  40 121.438  -7.358 -11.521
  287   1HD1  ILE  40          HD11      ILE  40 118.122  -7.544 -10.458
  288   2HD1  ILE  40          HD12      ILE  40 119.093  -6.698 -11.663
  289   3HD1  ILE  40          HD13      ILE  40 117.676  -5.915 -10.963
  290    H    LYS  41           HN       LYS  41 122.783  -3.519 -10.104
  291    HA   LYS  41           HA       LYS  41 125.216  -4.904 -10.744
  292   1HB   LYS  41          HB2       LYS  41 125.851  -2.844 -11.887
  293   2HB   LYS  41          HB1       LYS  41 124.213  -3.320 -12.316
  294   1HG   LYS  41          HG2       LYS  41 123.318  -1.664 -10.763
  295   2HG   LYS  41          HG1       LYS  41 124.960  -1.191 -10.321
  296   1HD   LYS  41          HD2       LYS  41 125.387  -0.504 -12.627
  297   2HD   LYS  41          HD1       LYS  41 123.752  -0.992 -13.080
  298   1HE   LYS  41          HE2       LYS  41 124.241   1.017 -10.907
  299   2HE   LYS  41          HE1       LYS  41 124.194   1.495 -12.603
  300   1HZ   LYS  41          HZ1       LYS  41 121.963   0.179 -12.557
  301   2HZ   LYS  41          HZ2       LYS  41 122.022   1.775 -12.001
  302   3HZ   LYS  41          HZ3       LYS  41 122.029   0.494 -10.895
  303    H    GLU  42           HN       GLU  42 124.198  -2.664  -8.281
  304    HA   GLU  42           HA       GLU  42 126.968  -2.213  -7.455
  305   1HB   GLU  42          HB2       GLU  42 124.792  -0.534  -7.532
  306   2HB   GLU  42          HB1       GLU  42 124.871  -0.974  -5.832
  307   1HG   GLU  42          HG2       GLU  42 127.465  -0.284  -6.958
  308   2HG   GLU  42          HG1       GLU  42 126.290   1.027  -7.050
  309    H    CYS  43           HN       CYS  43 124.684  -4.503  -6.881
  310    HA   CYS  43           HA       CYS  43 125.107  -4.728  -4.017
  311   1HB   CYS  43          HB2       CYS  43 123.359  -6.091  -6.018
  312   2HB   CYS  43          HB1       CYS  43 123.726  -6.927  -4.513
  313    H    GLY  44           HN       GLY  44 125.663  -6.778  -6.886
  314   1HA   GLY  44          HA2       GLY  44 127.512  -8.422  -5.329
  315   2HA   GLY  44          HA1       GLY  44 126.920  -8.774  -6.946
  316    H    THR  45           HN       THR  45 128.365  -5.758  -5.815
  317    HA   THR  45           HA       THR  45 130.344  -5.959  -7.941
  318    HB   THR  45           HB       THR  45 130.387  -3.562  -6.248
  319    HG1  THR  45           HG1      THR  45 128.357  -3.113  -6.311
  320   1HG2  THR  45          HG21      THR  45 131.493  -3.675  -8.434
  321   2HG2  THR  45          HG22      THR  45 130.288  -2.391  -8.349
  322   3HG2  THR  45          HG23      THR  45 129.919  -3.892  -9.200
  323    H    ASN  46           HN       ASN  46 132.559  -5.725  -7.605
  324    HA   ASN  46           HA       ASN  46 133.499  -6.041  -4.837
  325   1HB   ASN  46          HB2       ASN  46 133.506  -8.240  -5.936
  326   2HB   ASN  46          HB1       ASN  46 134.483  -7.586  -7.245
  327   1HD2  ASN  46          HD21      ASN  46 134.583  -7.473  -3.697
  328   2HD2  ASN  46          HD22      ASN  46 136.237  -7.953  -3.558
  329    H    GLU  47           HN       GLU  47 133.331  -3.705  -6.496
  330    HA   GLU  47           HA       GLU  47 135.464  -2.863  -7.915
  331   1HB   GLU  47          HB2       GLU  47 133.974  -1.334  -5.780
  332   2HB   GLU  47          HB1       GLU  47 135.046  -0.589  -6.957
  333   1HG   GLU  47          HG2       GLU  47 133.478  -0.595  -8.528
  334   2HG   GLU  47          HG1       GLU  47 133.071  -2.284  -8.223
  335    H    CYS  48           HN       CYS  48 135.445  -3.446  -4.459
  336    HA   CYS  48           HA       CYS  48 137.734  -2.021  -3.760
  337   1HB   CYS  48          HB2       CYS  48 136.478  -4.484  -2.618
  338   2HB   CYS  48          HB1       CYS  48 137.905  -3.750  -1.906
  339    H    LEU  49           HN       LEU  49 137.652  -5.542  -3.762
  340    HA   LEU  49           HA       LEU  49 140.412  -5.888  -4.084
  341   1HB   LEU  49          HB2       LEU  49 138.021  -7.630  -4.390
  342   2HB   LEU  49          HB1       LEU  49 139.524  -8.199  -5.091
  343    HG   LEU  49           HG       LEU  49 139.204  -7.409  -2.195
  344   1HD1  LEU  49          HD11      LEU  49 139.052  -9.713  -1.653
  345   2HD1  LEU  49          HD12      LEU  49 139.363 -10.196  -3.320
  346   3HD1  LEU  49          HD13      LEU  49 137.845  -9.402  -2.900
  347   1HD2  LEU  49          HD21      LEU  49 141.490  -7.505  -3.605
  348   2HD2  LEU  49          HD22      LEU  49 141.362  -9.195  -3.118
  349   3HD2  LEU  49          HD23      LEU  49 141.382  -7.924  -1.895
  350    H    ASP  50           HN       ASP  50 138.101  -4.838  -6.279
  351    HA   ASP  50           HA       ASP  50 138.867  -5.916  -8.669
  352   1HB   ASP  50          HB2       ASP  50 136.872  -4.425  -8.104
  353   2HB   ASP  50          HB1       ASP  50 137.969  -3.073  -8.382
  354    H    ASN  51           HN       ASN  51 140.794  -3.887  -6.736
  355    HA   ASN  51           HA       ASN  51 142.532  -3.391  -9.040
  356   1HB   ASN  51          HB2       ASN  51 143.016  -1.092  -8.147
  357   2HB   ASN  51          HB1       ASN  51 141.378  -1.300  -8.735
  358   1HD2  ASN  51          HD21      ASN  51 142.973   0.234  -6.484
  359   2HD2  ASN  51          HD22      ASN  51 141.843   0.189  -5.179
  360    H    ASN  52           HN       ASN  52 143.774  -1.670  -6.551
  361    HA   ASN  52           HA       ASN  52 145.777  -3.651  -5.920
  362   1HB   ASN  52          HB2       ASN  52 146.766  -1.755  -4.624
  363   2HB   ASN  52          HB1       ASN  52 146.420  -1.321  -6.294
  364   1HD2  ASN  52          HD21      ASN  52 145.059  -1.186  -3.046
  365   2HD2  ASN  52          HD22      ASN  52 144.139   0.248  -3.302
  366    H    GLY  53           HN       GLY  53 143.144  -1.947  -4.437
  367   1HA   GLY  53          HA2       GLY  53 142.668  -3.876  -2.414
  368   2HA   GLY  53          HA1       GLY  53 143.525  -2.499  -1.757
  369    H    GLY  54           HN       GLY  54 141.363  -2.040  -4.440
  370   1HA   GLY  54          HA2       GLY  54 139.246  -1.172  -4.600
  371   2HA   GLY  54          HA1       GLY  54 139.096  -1.306  -2.859
  372    H    CYS  55           HN       CYS  55 141.347   0.052  -2.148
  373    HA   CYS  55           HA       CYS  55 140.998   2.768  -3.138
  374   1HB   CYS  55          HB2       CYS  55 140.654   1.743  -0.334
  375   2HB   CYS  55          HB1       CYS  55 141.124   3.403  -0.640
  376    H    SER  56           HN       SER  56 142.831   0.482  -1.132
  377    HA   SER  56           HA       SER  56 145.245   1.248  -2.252
  378   1HB   SER  56          HB2       SER  56 144.548   2.545   0.340
  379   2HB   SER  56          HB1       SER  56 146.223   2.087   0.037
  380    HG   SER  56           HG       SER  56 146.395   3.659  -1.349
  381    H    HIS  57           HN       HIS  57 144.233   0.227   1.010
  382    HA   HIS  57           HA       HIS  57 146.015  -2.087   0.702
  383   1HB   HIS  57          HB2       HIS  57 144.867  -0.828   3.198
  384   2HB   HIS  57          HB1       HIS  57 145.950  -2.218   3.167
  385    HD1  HIS  57           HD1      HIS  57 147.259  -0.202   4.703
  386    HD2  HIS  57           HD2      HIS  57 147.234   0.059   0.557
  387    HE1  HIS  57           HE1      HIS  57 149.152   1.350   4.117
  388    HE2  HIS  57           HE2      HIS  57 149.193   1.400   1.598
  389    H    VAL  58           HN       VAL  58 143.043  -1.492   2.577
  390    HA   VAL  58           HA       VAL  58 141.908  -3.889   1.344
  391    HB   VAL  58           HB       VAL  58 140.874  -4.188   3.804
  392   1HG1  VAL  58          HG11      VAL  58 143.588  -5.333   3.317
  393   2HG1  VAL  58          HG12      VAL  58 142.252  -5.737   2.238
  394   3HG1  VAL  58          HG13      VAL  58 142.139  -6.109   3.959
  395   1HG2  VAL  58          HG21      VAL  58 142.626  -3.902   5.492
  396   2HG2  VAL  58          HG22      VAL  58 142.154  -2.357   4.783
  397   3HG2  VAL  58          HG23      VAL  58 143.660  -3.131   4.288
  398    H    CYS  59           HN       CYS  59 140.129  -3.306   0.398
  399    HA   CYS  59           HA       CYS  59 138.456  -1.226   1.633
  400   1HB   CYS  59          HB2       CYS  59 139.190  -0.295  -0.354
  401   2HB   CYS  59          HB1       CYS  59 139.183  -1.814  -1.219
  402    H    ASN  60           HN       ASN  60 136.457  -1.741   2.207
  403    HA   ASN  60           HA       ASN  60 135.500  -4.445   1.653
  404   1HB   ASN  60          HB2       ASN  60 133.793  -3.928   3.398
  405   2HB   ASN  60          HB1       ASN  60 135.450  -3.782   3.974
  406   1HD2  ASN  60          HD21      ASN  60 133.761  -2.593   5.518
  407   2HD2  ASN  60          HD22      ASN  60 133.730  -0.880   5.296
  408    H    ASP  61           HN       ASP  61 134.203  -4.775  -0.023
  409    HA   ASP  61           HA       ASP  61 132.711  -2.556  -1.163
  410   1HB   ASP  61          HB2       ASP  61 133.999  -4.786  -2.246
  411   2HB   ASP  61          HB1       ASP  61 132.283  -5.106  -2.472
  412    H    LEU  62           HN       LEU  62 130.802  -2.119  -0.336
  413    HA   LEU  62           HA       LEU  62 129.141  -4.284   0.727
  414   1HB   LEU  62          HB2       LEU  62 128.386  -1.388   0.830
  415   2HB   LEU  62          HB1       LEU  62 127.925  -2.682   1.906
  416    HG   LEU  62           HG       LEU  62 130.552  -1.224   1.798
  417   1HD1  LEU  62          HD11      LEU  62 128.802  -0.182   3.114
  418   2HD1  LEU  62          HD12      LEU  62 130.058  -0.829   4.169
  419   3HD1  LEU  62          HD13      LEU  62 128.530  -1.692   3.985
  420   1HD2  LEU  62          HD21      LEU  62 131.155  -2.832   3.703
  421   2HD2  LEU  62          HD22      LEU  62 131.288  -3.427   2.047
  422   3HD2  LEU  62          HD23      LEU  62 129.899  -3.876   3.038
  423    H    LYS  63           HN       LYS  63 126.902  -4.459   0.161
  424    HA   LYS  63           HA       LYS  63 126.446  -4.473  -2.601
  425   1HB   LYS  63          HB2       LYS  63 124.807  -4.951  -0.173
  426   2HB   LYS  63          HB1       LYS  63 123.935  -4.622  -1.663
  427   1HG   LYS  63          HG2       LYS  63 124.252  -7.022  -1.251
  428   2HG   LYS  63          HG1       LYS  63 125.006  -6.486  -2.753
  429   1HD   LYS  63          HD2       LYS  63 126.587  -7.903  -1.735
  430   2HD   LYS  63          HD1       LYS  63 127.157  -6.264  -1.414
  431   1HE   LYS  63          HE2       LYS  63 127.372  -7.174   0.673
  432   2HE   LYS  63          HE1       LYS  63 125.725  -6.556   0.775
  433   1HZ   LYS  63          HZ1       LYS  63 124.915  -8.773   0.198
  434   2HZ   LYS  63          HZ2       LYS  63 125.841  -8.801   1.613
  435   3HZ   LYS  63          HZ3       LYS  63 126.504  -9.355   0.159
  436    H    ILE  64           HN       ILE  64 126.047  -1.967  -0.262
  437    HA   ILE  64           HA       ILE  64 124.627  -0.344  -2.267
  438    HB   ILE  64           HB       ILE  64 123.312  -0.827  -0.204
  439   1HG1  ILE  64          HG12      ILE  64 123.334   1.940   0.242
  440   2HG1  ILE  64          HG11      ILE  64 123.844   1.739  -1.432
  441   1HG2  ILE  64          HG21      ILE  64 124.144  -0.565   1.837
  442   2HG2  ILE  64          HG22      ILE  64 124.614   1.100   1.494
  443   3HG2  ILE  64          HG23      ILE  64 125.707  -0.225   1.095
  444   1HD1  ILE  64          HD11      ILE  64 121.341   0.601  -0.213
  445   2HD1  ILE  64          HD12      ILE  64 121.848   0.433  -1.894
  446   3HD1  ILE  64          HD13      ILE  64 121.436   2.024  -1.251
  447    H    GLY  65           HN       GLY  65 127.552  -0.703  -1.925
  448   1HA   GLY  65          HA2       GLY  65 128.802   1.383  -2.663
  449   2HA   GLY  65          HA1       GLY  65 128.283   2.040  -1.120
  450    H    TYR  66           HN       TYR  66 130.947   1.279  -2.416
  451    HA   TYR  66           HA       TYR  66 131.964  -0.521  -0.347
  452   1HB   TYR  66          HB2       TYR  66 133.932  -0.781  -1.752
  453   2HB   TYR  66          HB1       TYR  66 132.480  -1.094  -2.692
  454    HD1  TYR  66           HD1      TYR  66 132.266  -0.092  -4.770
  455    HD2  TYR  66           HD2      TYR  66 134.849   1.688  -1.894
  456    HE1  TYR  66           HE1      TYR  66 132.996   1.547  -6.448
  457    HE2  TYR  66           HE2      TYR  66 135.583   3.334  -3.566
  458    HH   TYR  66           HH       TYR  66 135.193   3.006  -6.764
  459    H    GLU  67           HN       GLU  67 133.672   0.037   0.990
  460    HA   GLU  67           HA       GLU  67 134.500   2.860   0.943
  461   1HB   GLU  67          HB2       GLU  67 134.594   1.952   3.633
  462   2HB   GLU  67          HB1       GLU  67 133.600   3.230   2.952
  463   1HG   GLU  67          HG2       GLU  67 132.834   0.321   2.993
  464   2HG   GLU  67          HG1       GLU  67 132.332   1.508   4.196
  465    H    CYS  68           HN       CYS  68 136.525   3.220   2.260
  466    HA   CYS  68           HA       CYS  68 138.388   1.048   1.655
  467   1HB   CYS  68          HB2       CYS  68 139.322   3.720   2.597
  468   2HB   CYS  68          HB1       CYS  68 140.044   2.633   1.418
  469    H    LEU  69           HN       LEU  69 139.633   0.061   3.167
  470    HA   LEU  69           HA       LEU  69 139.127   0.796   5.975
  471   1HB   LEU  69          HB2       LEU  69 139.948  -1.957   5.124
  472   2HB   LEU  69          HB1       LEU  69 139.127  -1.456   6.587
  473    HG   LEU  69           HG       LEU  69 137.931  -1.627   3.823
  474   1HD1  LEU  69          HD11      LEU  69 136.423  -3.120   5.577
  475   2HD1  LEU  69          HD12      LEU  69 138.078  -3.428   6.100
  476   3HD1  LEU  69          HD13      LEU  69 137.607  -3.746   4.430
  477   1HD2  LEU  69          HD21      LEU  69 136.220  -0.346   4.458
  478   2HD2  LEU  69          HD22      LEU  69 137.217   0.157   5.822
  479   3HD2  LEU  69          HD23      LEU  69 136.079  -1.177   6.007
  480    H    CYS  70           HN       CYS  70 140.904  -0.063   7.466
  481    HA   CYS  70           HA       CYS  70 143.526  -0.438   6.471
  482   1HB   CYS  70          HB2       CYS  70 142.893   2.122   6.146
  483   2HB   CYS  70          HB1       CYS  70 143.312   2.201   7.854
  484    HA   PRO  71           HA       PRO  71 143.928  -2.287  10.473
  485   1HB   PRO  71          HB2       PRO  71 146.652  -1.059  10.381
  486   2HB   PRO  71          HB1       PRO  71 146.177  -2.708  10.799
  487   1HG   PRO  71          HG2       PRO  71 147.215  -2.154   8.407
  488   2HG   PRO  71          HG1       PRO  71 145.904  -3.335   8.585
  489   1HD   PRO  71          HD2       PRO  71 145.829  -0.574   7.494
  490   2HD   PRO  71          HD1       PRO  71 144.827  -1.978   7.083
  491    H    ASP  72           HN       ASP  72 144.337  -1.706  12.719
  492    HA   ASP  72           HA       ASP  72 143.163   0.701  13.459
  493   1HB   ASP  72          HB2       ASP  72 145.039  -0.916  15.186
  494   2HB   ASP  72          HB1       ASP  72 143.732   0.136  15.721
  495    H    GLY  73           HN       GLY  73 143.972   2.545  14.502
  496   1HA   GLY  73          HA2       GLY  73 145.413   4.295  14.854
  497   2HA   GLY  73          HA1       GLY  73 146.719   3.124  14.811
  498    H    PHE  74           HN       PHE  74 144.593   3.485  12.057
  499    HA   PHE  74           HA       PHE  74 146.704   5.019  10.696
  500   1HB   PHE  74          HB2       PHE  74 145.254   2.589   9.663
  501   2HB   PHE  74          HB1       PHE  74 146.120   3.694   8.611
  502    HD1  PHE  74           HD1      PHE  74 146.516   0.639   9.390
  503    HD2  PHE  74           HD2      PHE  74 148.458   4.282  10.421
  504    HE1  PHE  74           HE1      PHE  74 148.602  -0.596   9.817
  505    HE2  PHE  74           HE2      PHE  74 150.545   3.054  10.850
  506    HZ   PHE  74           HZ       PHE  74 150.619   0.611  10.548
  507    H    GLN  75           HN       GLN  75 146.090   6.579   9.351
  508    HA   GLN  75           HA       GLN  75 143.209   7.119   9.122
  509   1HB   GLN  75          HB2       GLN  75 145.117   8.725  10.225
  510   2HB   GLN  75          HB1       GLN  75 145.086   9.323   8.572
  511   1HG   GLN  75          HG2       GLN  75 143.409  10.613   9.252
  512   2HG   GLN  75          HG1       GLN  75 142.427   9.151   9.175
  513   1HE2  GLN  75          HE21      GLN  75 141.581  11.056  10.815
  514   2HE2  GLN  75          HE22      GLN  75 141.864  10.642  12.469
  515    H    LEU  76           HN       LEU  76 142.449   6.630   7.194
  516    HA   LEU  76           HA       LEU  76 144.022   6.250   4.887
  517   1HB   LEU  76          HB2       LEU  76 141.973   5.035   5.156
  518   2HB   LEU  76          HB1       LEU  76 141.049   6.518   5.291
  519    HG   LEU  76           HG       LEU  76 142.229   6.746   2.799
  520   1HD1  LEU  76          HD11      LEU  76 142.963   4.646   2.363
  521   2HD1  LEU  76          HD12      LEU  76 141.275   4.426   1.903
  522   3HD1  LEU  76          HD13      LEU  76 141.832   3.896   3.490
  523   1HD2  LEU  76          HD21      LEU  76 139.844   5.907   2.090
  524   2HD2  LEU  76          HD22      LEU  76 140.051   7.438   2.940
  525   3HD2  LEU  76          HD23      LEU  76 139.535   6.002   3.824
  526    H    VAL  77           HN       VAL  77 144.949   7.809   3.678
  527    HA   VAL  77           HA       VAL  77 143.770  10.464   3.653
  528    HB   VAL  77           HB       VAL  77 146.457   9.571   2.618
  529   1HG1  VAL  77          HG11      VAL  77 145.527  11.619   1.565
  530   2HG1  VAL  77          HG12      VAL  77 147.006  11.908   2.481
  531   3HG1  VAL  77          HG13      VAL  77 145.443  12.358   3.164
  532   1HG2  VAL  77          HG21      VAL  77 145.863  11.076   5.157
  533   2HG2  VAL  77          HG22      VAL  77 147.414  10.430   4.621
  534   3HG2  VAL  77          HG23      VAL  77 146.116   9.333   5.092
  535    H    ALA  78           HN       ALA  78 143.155  11.535   1.842
  536    HA   ALA  78           HA       ALA  78 142.572  11.927  -0.333
  537   1HB   ALA  78          HB1       ALA  78 144.844  10.589  -0.683
  538   2HB   ALA  78          HB2       ALA  78 143.800  11.049  -2.027
  539   3HB   ALA  78          HB3       ALA  78 143.732   9.410  -1.379
  540    H    GLN  79           HN       GLN  79 141.224   9.936   1.616
  541    HA   GLN  79           HA       GLN  79 139.259   8.804   1.664
  542   1HB   GLN  79          HB2       GLN  79 138.915   9.617  -1.223
  543   2HB   GLN  79          HB1       GLN  79 137.655   9.127  -0.100
  544   1HG   GLN  79          HG2       GLN  79 137.340  11.311   0.197
  545   2HG   GLN  79          HG1       GLN  79 138.777  11.230   1.215
  546   1HE2  GLN  79          HE21      GLN  79 137.942  11.502  -2.226
  547   2HE2  GLN  79          HE22      GLN  79 139.121  12.712  -2.591
  548    H    ARG  80           HN       ARG  80 141.874   7.717   0.298
  549    HA   ARG  80           HA       ARG  80 140.770   5.103  -0.159
  550   1HB   ARG  80          HB2       ARG  80 142.042   6.621  -2.424
  551   2HB   ARG  80          HB1       ARG  80 141.976   4.871  -2.394
  552   1HG   ARG  80          HG2       ARG  80 139.381   5.496  -1.916
  553   2HG   ARG  80          HG1       ARG  80 139.872   6.828  -2.962
  554   1HD   ARG  80          HD2       ARG  80 140.955   4.481  -4.087
  555   2HD   ARG  80          HD1       ARG  80 139.293   4.101  -3.644
  556    HE   ARG  80           HE       ARG  80 139.262   6.557  -4.946
  557   1HH1  ARG  80          HH11      ARG  80 140.038   3.235  -5.678
  558   2HH1  ARG  80          HH12      ARG  80 139.610   3.373  -7.350
  559   1HH2  ARG  80          HH21      ARG  80 138.698   6.740  -7.144
  560   2HH2  ARG  80          HH22      ARG  80 138.850   5.363  -8.183
  561    H    ARG  81           HN       ARG  81 143.570   7.216   0.011
  562    HA   ARG  81           HA       ARG  81 145.425   5.018   0.173
  563   1HB   ARG  81          HB2       ARG  81 145.783   7.474  -0.718
  564   2HB   ARG  81          HB1       ARG  81 146.179   7.784   0.967
  565   1HG   ARG  81          HG2       ARG  81 148.251   7.193   0.402
  566   2HG   ARG  81          HG1       ARG  81 147.642   5.537   0.437
  567   1HD   ARG  81          HD2       ARG  81 148.557   5.560  -1.653
  568   2HD   ARG  81          HD1       ARG  81 146.932   6.123  -2.039
  569    HE   ARG  81           HE       ARG  81 147.874   8.061  -2.755
  570   1HH1  ARG  81          HH11      ARG  81 150.017   6.635  -0.399
  571   2HH1  ARG  81          HH12      ARG  81 151.225   7.864  -0.568
  572   1HH2  ARG  81          HH21      ARG  81 149.462   9.679  -2.980
  573   2HH2  ARG  81          HH22      ARG  81 150.911   9.592  -2.034
  574    H    CYS  82           HN       CYS  82 146.803   4.593   1.975
  575    HA   CYS  82           HA       CYS  82 145.389   4.972   4.511
  576   1HB   CYS  82          HB2       CYS  82 147.207   2.892   3.429
  577   2HB   CYS  82          HB1       CYS  82 147.270   3.191   5.160
  578    H    GLU  83           HN       GLU  83 146.295   6.022   6.229
  579    HA   GLU  83           HA       GLU  83 149.057   6.506   6.492
  580   1HB   GLU  83          HB2       GLU  83 147.834   8.236   4.694
  581   2HB   GLU  83          HB1       GLU  83 147.939   9.168   6.180
  582   1HG   GLU  83          HG2       GLU  83 149.924   9.682   5.152
  583   2HG   GLU  83          HG1       GLU  83 150.399   8.360   6.219
  Start of MODEL   12
    1   1H    GLY   1           HT1      GLY   1  97.333  12.669   8.416
    2   2H    GLY   1           HT2      GLY   1  97.464  13.569   6.989
    3   3H    GLY   1           HT3      GLY   1  98.859  13.052   7.795
    4   1HA   GLY   1          HA1       GLY   1  96.930  11.036   6.894
    5   2HA   GLY   1          HA2       GLY   1  97.983  11.782   5.702
    6    H    ASN   2           HN       ASN   2  99.958  10.954   5.432
    7    HA   ASN   2           HA       ASN   2 100.837   8.895   7.326
    8   1HB   ASN   2          HB2       ASN   2 102.425   8.282   5.437
    9   2HB   ASN   2          HB1       ASN   2 100.712   8.024   5.122
   10   1HD2  ASN   2          HD21      ASN   2 101.469   8.033   2.883
   11   2HD2  ASN   2          HD22      ASN   2 101.610   9.548   2.063
   12    H    VAL   3           HN       VAL   3 102.548   9.196   8.598
   13    HA   VAL   3           HA       VAL   3 104.087  11.664   8.291
   14    HB   VAL   3           HB       VAL   3 104.995  11.027  10.572
   15   1HG1  VAL   3          HG11      VAL   3 102.005  11.355  10.495
   16   2HG1  VAL   3          HG12      VAL   3 103.132  12.656  10.110
   17   3HG1  VAL   3          HG13      VAL   3 103.132  11.938  11.721
   18   1HG2  VAL   3          HG21      VAL   3 104.324   9.181  11.670
   19   2HG2  VAL   3          HG22      VAL   3 103.934   8.584  10.057
   20   3HG2  VAL   3          HG23      VAL   3 102.673   9.296  11.063
   21    H    THR   4           HN       THR   4 106.008  11.626   7.350
   22    HA   THR   4           HA       THR   4 107.364   9.097   6.900
   23    HB   THR   4           HB       THR   4 107.181  10.670   5.042
   24    HG1  THR   4           HG1      THR   4 109.840  10.427   5.995
   25   1HG2  THR   4          HG21      THR   4 107.623  12.839   5.127
   26   2HG2  THR   4          HG22      THR   4 109.169  12.574   5.933
   27   3HG2  THR   4          HG23      THR   4 107.683  12.658   6.880
   28    H    LEU   5           HN       LEU   5 108.418   8.391   8.669
   29    HA   LEU   5           HA       LEU   5 109.671  10.071  10.570
   30   1HB   LEU   5          HB2       LEU   5 109.134   7.299  10.260
   31   2HB   LEU   5          HB1       LEU   5 110.845   7.468  10.600
   32    HG   LEU   5           HG       LEU   5 109.704   7.141  12.675
   33   1HD1  LEU   5          HD11      LEU   5 110.751   8.771  13.841
   34   2HD1  LEU   5          HD12      LEU   5 110.072  10.066  12.855
   35   3HD1  LEU   5          HD13      LEU   5 111.443   9.131  12.259
   36   1HD2  LEU   5          HD21      LEU   5 107.791   9.073  11.517
   37   2HD2  LEU   5          HD22      LEU   5 108.067   9.179  13.255
   38   3HD2  LEU   5          HD23      LEU   5 107.507   7.666  12.541
   39    H    CYS   6           HN       CYS   6 111.374   7.591   8.680
   40    HA   CYS   6           HA       CYS   6 113.440   7.553   7.733
   41   1HB   CYS   6          HB2       CYS   6 112.343  10.206   7.076
   42   2HB   CYS   6          HB1       CYS   6 114.095  10.088   6.954
   43    H    GLU   7           HN       GLU   7 113.278   7.889  10.557
   44    HA   GLU   7           HA       GLU   7 115.895   9.126  11.016
   45   1HB   GLU   7          HB2       GLU   7 113.343   9.719  12.483
   46   2HB   GLU   7          HB1       GLU   7 114.894   9.879  13.294
   47   1HG   GLU   7          HG2       GLU   7 114.683  11.197  10.672
   48   2HG   GLU   7          HG1       GLU   7 113.677  11.867  11.955
   49    H    GLY   8           HN       GLY   8 116.988   8.335  12.925
   50   1HA   GLY   8          HA2       GLY   8 117.003   6.796  14.814
   51   2HA   GLY   8          HA1       GLY   8 115.925   5.757  13.894
   52    HA   PRO   9           HA       PRO   9 120.434   4.502  13.282
   53   1HB   PRO   9          HB2       PRO   9 120.396   2.142  14.594
   54   2HB   PRO   9          HB1       PRO   9 120.750   3.672  15.404
   55   1HG   PRO   9          HG2       PRO   9 118.195   2.118  15.324
   56   2HG   PRO   9          HG1       PRO   9 118.962   2.945  16.691
   57   1HD   PRO   9          HD2       PRO   9 116.890   4.006  15.275
   58   2HD   PRO   9          HD1       PRO   9 118.123   4.994  16.084
   59    H    ASN  10           HN       ASN  10 121.198   2.749  11.984
   60    HA   ASN  10           HA       ASN  10 121.020   1.528  10.058
   61   1HB   ASN  10          HB2       ASN  10 119.892  -0.612  10.366
   62   2HB   ASN  10          HB1       ASN  10 120.778  -0.173  11.824
   63   1HD2  ASN  10          HD21      ASN  10 119.619   0.518  13.651
   64   2HD2  ASN  10          HD22      ASN  10 117.947   0.132  13.852
   65    H    LYS  11           HN       LYS  11 119.502   3.799   9.780
   66    HA   LYS  11           HA       LYS  11 116.943   2.937   8.650
   67   1HB   LYS  11          HB2       LYS  11 116.393   5.301   8.512
   68   2HB   LYS  11          HB1       LYS  11 116.954   4.909  10.131
   69   1HG   LYS  11          HG2       LYS  11 118.044   6.887   9.720
   70   2HG   LYS  11          HG1       LYS  11 119.262   5.704   9.240
   71   1HD   LYS  11          HD2       LYS  11 119.159   6.294   7.068
   72   2HD   LYS  11          HD1       LYS  11 117.407   6.501   7.105
   73   1HE   LYS  11          HE2       LYS  11 118.645   8.606   6.667
   74   2HE   LYS  11          HE1       LYS  11 117.628   8.673   8.106
   75   1HZ   LYS  11          HZ1       LYS  11 120.426   7.879   8.437
   76   2HZ   LYS  11          HZ2       LYS  11 119.420   8.746   9.484
   77   3HZ   LYS  11          HZ3       LYS  11 120.099   9.512   8.137
   78    H    PHE  12           HN       PHE  12 116.325   3.585   6.506
   79    HA   PHE  12           HA       PHE  12 118.529   4.255   4.697
   80   1HB   PHE  12          HB2       PHE  12 118.189   1.750   4.794
   81   2HB   PHE  12          HB1       PHE  12 116.592   2.015   4.101
   82    HD1  PHE  12           HD1      PHE  12 120.041   1.522   3.418
   83    HD2  PHE  12           HD2      PHE  12 116.480   3.255   1.861
   84    HE1  PHE  12           HE1      PHE  12 121.023   1.504   1.162
   85    HE2  PHE  12           HE2      PHE  12 117.455   3.239  -0.398
   86    HZ   PHE  12           HZ       PHE  12 119.730   2.363  -0.749
   87    H    LYS  13           HN       LYS  13 117.953   5.468   2.932
   88    HA   LYS  13           HA       LYS  13 115.091   6.062   2.596
   89   1HB   LYS  13          HB2       LYS  13 115.710   8.431   2.155
   90   2HB   LYS  13          HB1       LYS  13 116.026   7.922   3.808
   91   1HG   LYS  13          HG2       LYS  13 118.010   8.905   3.475
   92   2HG   LYS  13          HG1       LYS  13 118.415   7.395   2.656
   93   1HD   LYS  13          HD2       LYS  13 118.969   8.782   0.962
   94   2HD   LYS  13          HD1       LYS  13 117.236   8.732   0.634
   95   1HE   LYS  13          HE2       LYS  13 117.415  10.975   0.717
   96   2HE   LYS  13          HE1       LYS  13 117.329  10.717   2.459
   97   1HZ   LYS  13          HZ1       LYS  13 119.194  11.991   2.321
   98   2HZ   LYS  13          HZ2       LYS  13 119.635  11.412   0.794
   99   3HZ   LYS  13          HZ3       LYS  13 119.907  10.464   2.167
  100    H    CYS  14           HN       CYS  14 114.501   5.434   0.628
  101    HA   CYS  14           HA       CYS  14 116.328   4.911  -1.472
  102   1HB   CYS  14          HB2       CYS  14 113.361   5.341  -1.815
  103   2HB   CYS  14          HB1       CYS  14 114.430   4.341  -2.791
  104    H    HIS  15           HN       HIS  15 115.193   5.922  -3.759
  105    HA   HIS  15           HA       HIS  15 116.199   8.623  -3.720
  106   1HB   HIS  15          HB2       HIS  15 115.424   6.651  -5.799
  107   2HB   HIS  15          HB1       HIS  15 115.295   8.351  -6.237
  108    HD1  HIS  15           HD1      HIS  15 117.267   7.324  -7.935
  109    HD2  HIS  15           HD2      HIS  15 118.261   8.073  -3.970
  110    HE1  HIS  15           HE1      HIS  15 119.776   7.482  -7.890
  111    HE2  HIS  15           HE2      HIS  15 120.349   8.020  -5.496
  112    H    SER  16           HN       SER  16 113.095   7.035  -3.847
  113    HA   SER  16           HA       SER  16 111.665   9.446  -4.547
  114   1HB   SER  16          HB2       SER  16 110.411   6.919  -3.490
  115   2HB   SER  16          HB1       SER  16 109.716   8.119  -4.579
  116    HG   SER  16           HG       SER  16 110.645   7.168  -6.217
  117    H    GLY  17           HN       GLY  17 113.033   8.293  -1.724
  118   1HA   GLY  17          HA2       GLY  17 112.968   9.525   0.298
  119   2HA   GLY  17          HA1       GLY  17 111.378  10.125  -0.148
  120    H    GLU  18           HN       GLU  18 112.225   6.742  -0.368
  121    HA   GLU  18           HA       GLU  18 110.124   6.118   1.541
  122   1HB   GLU  18          HB2       GLU  18 111.537   4.687  -0.617
  123   2HB   GLU  18          HB1       GLU  18 111.108   3.699   0.773
  124   1HG   GLU  18          HG2       GLU  18 108.988   5.453  -0.284
  125   2HG   GLU  18          HG1       GLU  18 109.486   4.112  -1.314
  126    H    CYS  19           HN       CYS  19 110.520   5.782   3.618
  127    HA   CYS  19           HA       CYS  19 113.259   5.348   4.512
  128   1HB   CYS  19          HB2       CYS  19 110.945   5.560   6.398
  129   2HB   CYS  19          HB1       CYS  19 112.601   6.121   6.597
  130    H    ILE  20           HN       ILE  20 114.011   3.339   4.831
  131    HA   ILE  20           HA       ILE  20 112.327   1.341   6.074
  132    HB   ILE  20           HB       ILE  20 113.129  -0.360   4.367
  133   1HG1  ILE  20          HG12      ILE  20 113.758   2.193   2.875
  134   2HG1  ILE  20          HG11      ILE  20 114.862   0.875   3.258
  135   1HG2  ILE  20          HG21      ILE  20 111.227   1.753   3.363
  136   2HG2  ILE  20          HG22      ILE  20 110.813   0.476   4.507
  137   3HG2  ILE  20          HG23      ILE  20 111.286   0.064   2.859
  138   1HD1  ILE  20          HD11      ILE  20 112.698  -0.177   1.747
  139   2HD1  ILE  20          HD12      ILE  20 114.405  -0.075   1.319
  140   3HD1  ILE  20          HD13      ILE  20 113.319   1.256   0.930
  141    H    THR  21           HN       THR  21 113.866  -0.731   6.333
  142    HA   THR  21           HA       THR  21 116.190   0.331   7.663
  143    HB   THR  21           HB       THR  21 116.228  -1.554   8.884
  144    HG1  THR  21           HG1      THR  21 116.650  -3.301   7.828
  145   1HG2  THR  21          HG21      THR  21 113.850  -0.763   8.892
  146   2HG2  THR  21          HG22      THR  21 114.110  -2.437   9.385
  147   3HG2  THR  21          HG23      THR  21 113.500  -2.077   7.769
  148    H    LEU  22           HN       LEU  22 118.305  -0.087   7.229
  149    HA   LEU  22           HA       LEU  22 119.015  -0.399   4.511
  150   1HB   LEU  22          HB2       LEU  22 121.289  -0.192   5.259
  151   2HB   LEU  22          HB1       LEU  22 120.284   0.942   6.142
  152    HG   LEU  22           HG       LEU  22 120.212  -0.920   7.960
  153   1HD1  LEU  22          HD11      LEU  22 122.245  -1.903   6.075
  154   2HD1  LEU  22          HD12      LEU  22 121.282  -2.775   7.267
  155   3HD1  LEU  22          HD13      LEU  22 122.727  -1.899   7.771
  156   1HD2  LEU  22          HD21      LEU  22 122.064   0.089   9.060
  157   2HD2  LEU  22          HD22      LEU  22 121.307   1.339   8.072
  158   3HD2  LEU  22          HD23      LEU  22 122.796   0.567   7.528
  159    H    ASP  23           HN       ASP  23 118.749  -2.654   7.149
  160    HA   ASP  23           HA       ASP  23 120.463  -4.653   6.501
  161   1HB   ASP  23          HB2       ASP  23 117.584  -5.041   7.292
  162   2HB   ASP  23          HB1       ASP  23 118.854  -6.248   7.421
  163    H    LYS  24           HN       LYS  24 117.049  -4.709   5.366
  164    HA   LYS  24           HA       LYS  24 117.517  -6.757   3.563
  165   1HB   LYS  24          HB2       LYS  24 115.308  -5.905   2.556
  166   2HB   LYS  24          HB1       LYS  24 115.299  -6.489   4.209
  167   1HG   LYS  24          HG2       LYS  24 113.976  -4.463   3.949
  168   2HG   LYS  24          HG1       LYS  24 115.348  -4.196   5.024
  169   1HD   LYS  24          HD2       LYS  24 116.508  -2.949   3.422
  170   2HD   LYS  24          HD1       LYS  24 115.521  -3.568   2.097
  171   1HE   LYS  24          HE2       LYS  24 114.415  -1.848   4.303
  172   2HE   LYS  24          HE1       LYS  24 115.064  -1.185   2.804
  173   1HZ   LYS  24          HZ1       LYS  24 113.342  -2.030   1.578
  174   2HZ   LYS  24          HZ2       LYS  24 112.539  -1.697   3.029
  175   3HZ   LYS  24          HZ3       LYS  24 113.010  -3.280   2.669
  176    H    VAL  25           HN       VAL  25 119.152  -4.114   3.283
  177    HA   VAL  25           HA       VAL  25 118.570  -2.939   0.823
  178    HB   VAL  25           HB       VAL  25 120.961  -3.089   2.574
  179   1HG1  VAL  25          HG11      VAL  25 122.201  -3.454   0.669
  180   2HG1  VAL  25          HG12      VAL  25 122.195  -1.696   0.801
  181   3HG1  VAL  25          HG13      VAL  25 121.120  -2.497  -0.345
  182   1HG2  VAL  25          HG21      VAL  25 120.577  -0.881   2.890
  183   2HG2  VAL  25          HG22      VAL  25 118.961  -1.329   2.342
  184   3HG2  VAL  25          HG23      VAL  25 120.109  -0.611   1.212
  185    H    CYS  26           HN       CYS  26 118.960  -3.473  -1.236
  186    HA   CYS  26           HA       CYS  26 119.499  -4.694  -3.071
  187   1HB   CYS  26          HB2       CYS  26 121.810  -4.214  -2.283
  188   2HB   CYS  26          HB1       CYS  26 121.788  -5.732  -1.392
  189    H    ASN  27           HN       ASN  27 117.545  -5.799  -1.375
  190    HA   ASN  27           HA       ASN  27 118.020  -8.546  -0.851
  191   1HB   ASN  27          HB2       ASN  27 115.514  -8.662  -0.667
  192   2HB   ASN  27          HB1       ASN  27 116.267  -7.444   0.356
  193   1HD2  ASN  27          HD21      ASN  27 113.584  -7.397  -0.318
  194   2HD2  ASN  27          HD22      ASN  27 113.282  -6.022  -1.319
  195    H    MET  28           HN       MET  28 116.134 -10.069  -1.928
  196    HA   MET  28           HA       MET  28 116.966 -10.267  -4.691
  197   1HB   MET  28          HB2       MET  28 115.211 -12.000  -2.950
  198   2HB   MET  28          HB1       MET  28 115.530 -12.347  -4.645
  199   1HG   MET  28          HG2       MET  28 117.856 -11.920  -2.855
  200   2HG   MET  28          HG1       MET  28 116.948 -13.421  -2.693
  201   1HE   MET  28          HE1       MET  28 117.478 -15.233  -3.541
  202   2HE   MET  28          HE2       MET  28 119.196 -15.215  -3.938
  203   3HE   MET  28          HE3       MET  28 118.010 -15.642  -5.172
  204    H    ALA  29           HN       ALA  29 114.284  -9.052  -2.916
  205    HA   ALA  29           HA       ALA  29 112.706  -8.811  -5.393
  206   1HB   ALA  29          HB1       ALA  29 111.402  -8.333  -2.780
  207   2HB   ALA  29          HB2       ALA  29 111.863  -9.995  -3.152
  208   3HB   ALA  29          HB3       ALA  29 110.781  -9.116  -4.234
  209    H    ARG  30           HN       ARG  30 111.231  -6.826  -5.355
  210    HA   ARG  30           HA       ARG  30 112.844  -4.511  -5.270
  211   1HB   ARG  30          HB2       ARG  30 110.661  -5.076  -6.630
  212   2HB   ARG  30          HB1       ARG  30 109.860  -4.325  -5.257
  213   1HG   ARG  30          HG2       ARG  30 110.872  -2.250  -5.657
  214   2HG   ARG  30          HG1       ARG  30 112.076  -2.954  -6.740
  215   1HD   ARG  30          HD2       ARG  30 110.251  -1.688  -7.889
  216   2HD   ARG  30          HD1       ARG  30 110.438  -3.358  -8.422
  217    HE   ARG  30           HE       ARG  30 108.340  -3.808  -7.630
  218   1HH1  ARG  30          HH11      ARG  30 109.429  -0.784  -6.270
  219   2HH1  ARG  30          HH12      ARG  30 107.896  -0.408  -5.559
  220   1HH2  ARG  30          HH21      ARG  30 106.323  -3.315  -6.695
  221   2HH2  ARG  30          HH22      ARG  30 106.132  -1.844  -5.799
  222    H    ASP  31           HN       ASP  31 113.062  -2.907  -3.795
  223    HA   ASP  31           HA       ASP  31 111.541  -3.176  -1.285
  224   1HB   ASP  31          HB2       ASP  31 114.427  -3.061  -1.757
  225   2HB   ASP  31          HB1       ASP  31 113.875  -1.892  -0.562
  226    H    CYS  32           HN       CYS  32 112.922  -1.014  -3.669
  227    HA   CYS  32           HA       CYS  32 111.567   1.241  -2.341
  228   1HB   CYS  32          HB2       CYS  32 113.978   1.263  -4.168
  229   2HB   CYS  32          HB1       CYS  32 113.162   2.707  -3.577
  230    H    ARG  33           HN       ARG  33 111.341   3.068  -4.242
  231    HA   ARG  33           HA       ARG  33 109.512   1.811  -6.144
  232   1HB   ARG  33          HB2       ARG  33 109.876   4.756  -5.586
  233   2HB   ARG  33          HB1       ARG  33 108.540   3.991  -6.436
  234   1HG   ARG  33          HG2       ARG  33 108.272   2.714  -4.142
  235   2HG   ARG  33          HG1       ARG  33 109.106   4.143  -3.527
  236   1HD   ARG  33          HD2       ARG  33 106.859   4.603  -5.397
  237   2HD   ARG  33          HD1       ARG  33 106.447   4.003  -3.791
  238    HE   ARG  33           HE       ARG  33 108.206   6.124  -3.448
  239   1HH1  ARG  33          HH11      ARG  33 105.002   5.597  -4.727
  240   2HH1  ARG  33          HH12      ARG  33 104.448   7.190  -4.335
  241   1HH2  ARG  33          HH21      ARG  33 107.480   8.220  -2.933
  242   2HH2  ARG  33          HH22      ARG  33 105.854   8.680  -3.317
  243    H    ASP  34           HN       ASP  34 112.486   3.631  -6.017
  244    HA   ASP  34           HA       ASP  34 112.575   3.671  -8.959
  245   1HB   ASP  34          HB2       ASP  34 113.718   5.467  -6.863
  246   2HB   ASP  34          HB1       ASP  34 114.572   5.307  -8.395
  247    H    TRP  35           HN       TRP  35 113.483   1.656  -6.656
  248    HA   TRP  35           HA       TRP  35 115.081   0.058  -6.435
  249   1HB   TRP  35          HB2       TRP  35 115.535   0.858  -9.307
  250   2HB   TRP  35          HB1       TRP  35 116.451  -0.432  -8.534
  251    HD1  TRP  35           HD1      TRP  35 112.689   0.434  -9.017
  252    HE1  TRP  35           HE1      TRP  35 111.436  -1.762  -9.503
  253    HE3  TRP  35           HE3      TRP  35 116.605  -2.833  -8.661
  254    HZ2  TRP  35           HZ2      TRP  35 112.029  -4.515  -9.706
  255    HZ3  TRP  35           HZ3      TRP  35 116.178  -5.230  -9.014
  256    HH2  TRP  35           HH2      TRP  35 113.937  -6.052  -9.525
  257    H    SER  36           HN       SER  36 115.664   2.900  -5.788
  258    HA   SER  36           HA       SER  36 118.374   3.453  -6.420
  259   1HB   SER  36          HB2       SER  36 118.215   5.159  -4.639
  260   2HB   SER  36          HB1       SER  36 116.832   5.225  -5.732
  261    HG   SER  36           HG       SER  36 116.821   3.824  -3.267
  262    H    ASP  37           HN       ASP  37 116.822   1.522  -3.993
  263    HA   ASP  37           HA       ASP  37 119.200   1.318  -2.351
  264   1HB   ASP  37          HB2       ASP  37 117.030   1.326  -1.249
  265   2HB   ASP  37          HB1       ASP  37 116.524  -0.081  -2.176
  266    H    GLU  38           HN       GLU  38 117.724  -0.380  -4.972
  267    HA   GLU  38           HA       GLU  38 119.488  -2.688  -4.531
  268   1HB   GLU  38          HB2       GLU  38 117.219  -2.517  -6.506
  269   2HB   GLU  38          HB1       GLU  38 118.041  -3.961  -5.929
  270   1HG   GLU  38          HG2       GLU  38 116.411  -2.157  -4.162
  271   2HG   GLU  38          HG1       GLU  38 115.761  -3.576  -4.984
  272    HA   PRO  39           HA       PRO  39 121.374  -0.421  -8.149
  273   1HB   PRO  39          HB2       PRO  39 123.857  -0.142  -7.185
  274   2HB   PRO  39          HB1       PRO  39 122.571   0.989  -6.744
  275   1HG   PRO  39          HG2       PRO  39 123.640  -1.351  -5.203
  276   2HG   PRO  39          HG1       PRO  39 123.273   0.287  -4.631
  277   1HD   PRO  39          HD2       PRO  39 121.575  -1.816  -4.297
  278   2HD   PRO  39          HD1       PRO  39 121.024  -0.138  -4.470
  279    H    ILE  40           HN       ILE  40 121.183  -2.332  -9.355
  280    HA   ILE  40           HA       ILE  40 122.384  -4.768  -8.913
  281    HB   ILE  40           HB       ILE  40 121.972  -3.494 -11.620
  282   1HG1  ILE  40          HG12      ILE  40 120.096  -5.172  -9.938
  283   2HG1  ILE  40          HG11      ILE  40 119.921  -3.452 -10.269
  284   1HG2  ILE  40          HG21      ILE  40 123.023  -5.357 -12.295
  285   2HG2  ILE  40          HG22      ILE  40 121.501  -6.160 -11.913
  286   3HG2  ILE  40          HG23      ILE  40 122.815  -6.158 -10.738
  287   1HD1  ILE  40          HD11      ILE  40 120.044  -5.391 -12.529
  288   2HD1  ILE  40          HD12      ILE  40 119.280  -3.803 -12.449
  289   3HD1  ILE  40          HD13      ILE  40 118.547  -5.178 -11.622
  290    H    LYS  41           HN       LYS  41 123.768  -1.955 -10.598
  291    HA   LYS  41           HA       LYS  41 126.158  -3.233 -11.379
  292   1HB   LYS  41          HB2       LYS  41 125.342  -1.159 -12.408
  293   2HB   LYS  41          HB1       LYS  41 125.625  -0.297 -10.902
  294   1HG   LYS  41          HG2       LYS  41 128.072  -1.214 -11.235
  295   2HG   LYS  41          HG1       LYS  41 127.566  -1.277 -12.925
  296   1HD   LYS  41          HD2       LYS  41 128.593   0.847 -12.552
  297   2HD   LYS  41          HD1       LYS  41 126.856   1.112 -12.716
  298   1HE   LYS  41          HE2       LYS  41 126.581   1.544 -10.451
  299   2HE   LYS  41          HE1       LYS  41 128.077   0.721 -10.013
  300   1HZ   LYS  41          HZ1       LYS  41 128.381   3.071  -9.801
  301   2HZ   LYS  41          HZ2       LYS  41 127.834   3.346 -11.377
  302   3HZ   LYS  41          HZ3       LYS  41 129.297   2.538 -11.120
  303    H    GLU  42           HN       GLU  42 125.198  -1.638  -8.411
  304    HA   GLU  42           HA       GLU  42 127.932  -1.850  -7.379
  305   1HB   GLU  42          HB2       GLU  42 125.518  -0.470  -6.203
  306   2HB   GLU  42          HB1       GLU  42 127.134  -0.457  -5.514
  307   1HG   GLU  42          HG2       GLU  42 127.469   1.415  -6.649
  308   2HG   GLU  42          HG1       GLU  42 127.532   0.414  -8.098
  309    H    CYS  43           HN       CYS  43 125.283  -3.787  -7.502
  310    HA   CYS  43           HA       CYS  43 125.442  -4.765  -4.768
  311   1HB   CYS  43          HB2       CYS  43 123.605  -5.182  -7.070
  312   2HB   CYS  43          HB1       CYS  43 123.758  -6.500  -5.911
  313    H    GLY  44           HN       GLY  44 126.825  -6.286  -4.178
  314   1HA   GLY  44          HA2       GLY  44 128.179  -8.143  -4.243
  315   2HA   GLY  44          HA1       GLY  44 127.295  -8.648  -5.675
  316    H    THR  45           HN       THR  45 128.602  -5.543  -5.992
  317    HA   THR  45           HA       THR  45 130.444  -6.435  -8.000
  318    HB   THR  45           HB       THR  45 130.593  -3.629  -7.109
  319    HG1  THR  45           HG1      THR  45 128.190  -4.677  -8.185
  320   1HG2  THR  45          HG21      THR  45 129.640  -4.076  -9.787
  321   2HG2  THR  45          HG22      THR  45 131.097  -5.015  -9.456
  322   3HG2  THR  45          HG23      THR  45 131.103  -3.265  -9.226
  323    H    ASN  46           HN       ASN  46 132.226  -7.446  -7.237
  324    HA   ASN  46           HA       ASN  46 133.592  -6.592  -4.866
  325   1HB   ASN  46          HB2       ASN  46 133.651  -8.931  -5.465
  326   2HB   ASN  46          HB1       ASN  46 134.329  -8.555  -7.044
  327   1HD2  ASN  46          HD21      ASN  46 134.998  -8.108  -3.594
  328   2HD2  ASN  46          HD22      ASN  46 136.703  -8.351  -3.715
  329    H    GLU  47           HN       GLU  47 133.712  -4.326  -5.700
  330    HA   GLU  47           HA       GLU  47 135.650  -3.770  -7.762
  331   1HB   GLU  47          HB2       GLU  47 134.260  -1.872  -5.865
  332   2HB   GLU  47          HB1       GLU  47 135.133  -1.429  -7.323
  333   1HG   GLU  47          HG2       GLU  47 133.408  -1.914  -8.655
  334   2HG   GLU  47          HG1       GLU  47 133.004  -3.379  -7.764
  335    H    CYS  48           HN       CYS  48 135.603  -3.894  -4.271
  336    HA   CYS  48           HA       CYS  48 137.824  -2.325  -3.693
  337   1HB   CYS  48          HB2       CYS  48 136.698  -4.748  -2.341
  338   2HB   CYS  48          HB1       CYS  48 138.058  -3.851  -1.685
  339    H    LEU  49           HN       LEU  49 137.865  -5.836  -3.437
  340    HA   LEU  49           HA       LEU  49 140.639  -6.133  -3.641
  341   1HB   LEU  49          HB2       LEU  49 138.524  -8.128  -4.465
  342   2HB   LEU  49          HB1       LEU  49 140.202  -8.495  -4.116
  343    HG   LEU  49           HG       LEU  49 138.256  -7.387  -2.092
  344   1HD1  LEU  49          HD11      LEU  49 137.385  -9.459  -2.204
  345   2HD1  LEU  49          HD12      LEU  49 138.808  -9.891  -1.255
  346   3HD1  LEU  49          HD13      LEU  49 138.807 -10.130  -3.003
  347   1HD2  LEU  49          HD21      LEU  49 139.933  -7.389  -0.589
  348   2HD2  LEU  49          HD22      LEU  49 140.950  -7.245  -2.022
  349   3HD2  LEU  49          HD23      LEU  49 140.693  -8.823  -1.278
  350    H    ASP  50           HN       ASP  50 138.412  -5.228  -5.974
  351    HA   ASP  50           HA       ASP  50 139.299  -6.401  -8.276
  352   1HB   ASP  50          HB2       ASP  50 137.278  -4.834  -7.777
  353   2HB   ASP  50          HB1       ASP  50 138.387  -3.566  -8.294
  354    H    ASN  51           HN       ASN  51 141.107  -4.257  -6.361
  355    HA   ASN  51           HA       ASN  51 142.919  -3.810  -8.616
  356   1HB   ASN  51          HB2       ASN  51 143.321  -1.468  -7.801
  357   2HB   ASN  51          HB1       ASN  51 141.708  -1.734  -8.435
  358   1HD2  ASN  51          HD21      ASN  51 143.205  -0.089  -6.184
  359   2HD2  ASN  51          HD22      ASN  51 142.025  -0.101  -4.922
  360    H    ASN  52           HN       ASN  52 144.034  -1.969  -6.152
  361    HA   ASN  52           HA       ASN  52 146.046  -3.883  -5.371
  362   1HB   ASN  52          HB2       ASN  52 146.920  -1.929  -4.067
  363   2HB   ASN  52          HB1       ASN  52 146.667  -1.556  -5.769
  364   1HD2  ASN  52          HD21      ASN  52 145.098  -1.357  -2.617
  365   2HD2  ASN  52          HD22      ASN  52 144.180   0.057  -2.969
  366    H    GLY  53           HN       GLY  53 143.279  -2.245  -4.069
  367   1HA   GLY  53          HA2       GLY  53 142.744  -4.140  -2.046
  368   2HA   GLY  53          HA1       GLY  53 143.558  -2.753  -1.354
  369    H    GLY  54           HN       GLY  54 141.498  -2.336  -4.137
  370   1HA   GLY  54          HA2       GLY  54 139.380  -1.506  -4.383
  371   2HA   GLY  54          HA1       GLY  54 139.171  -1.601  -2.645
  372    H    CYS  55           HN       CYS  55 141.393  -0.192  -1.898
  373    HA   CYS  55           HA       CYS  55 141.033   2.482  -2.976
  374   1HB   CYS  55          HB2       CYS  55 140.691   1.562  -0.132
  375   2HB   CYS  55          HB1       CYS  55 141.059   3.226  -0.531
  376    H    SER  56           HN       SER  56 142.836   0.341  -0.777
  377    HA   SER  56           HA       SER  56 145.275   1.090  -1.894
  378   1HB   SER  56          HB2       SER  56 144.567   2.351   0.736
  379   2HB   SER  56          HB1       SER  56 146.245   2.063   0.275
  380    HG   SER  56           HG       SER  56 145.805   3.299  -1.638
  381    H    HIS  57           HN       HIS  57 144.071   0.077   1.306
  382    HA   HIS  57           HA       HIS  57 145.906  -2.218   1.126
  383   1HB   HIS  57          HB2       HIS  57 144.731  -0.850   3.552
  384   2HB   HIS  57          HB1       HIS  57 145.743  -2.292   3.606
  385    HD1  HIS  57           HD1      HIS  57 147.093  -0.283   5.119
  386    HD2  HIS  57           HD2      HIS  57 147.237  -0.182   0.969
  387    HE1  HIS  57           HE1      HIS  57 149.084   1.147   4.550
  388    HE2  HIS  57           HE2      HIS  57 149.223   1.096   2.036
  389    H    VAL  58           HN       VAL  58 142.885  -1.531   2.890
  390    HA   VAL  58           HA       VAL  58 141.749  -3.947   1.703
  391    HB   VAL  58           HB       VAL  58 140.652  -4.145   4.159
  392   1HG1  VAL  58          HG11      VAL  58 143.322  -5.410   3.738
  393   2HG1  VAL  58          HG12      VAL  58 141.991  -5.782   2.643
  394   3HG1  VAL  58          HG13      VAL  58 141.832  -6.112   4.369
  395   1HG2  VAL  58          HG21      VAL  58 143.441  -3.086   4.602
  396   2HG2  VAL  58          HG22      VAL  58 142.497  -3.938   5.824
  397   3HG2  VAL  58          HG23      VAL  58 141.928  -2.394   5.188
  398    H    CYS  59           HN       CYS  59 140.034  -3.315   0.671
  399    HA   CYS  59           HA       CYS  59 138.401  -1.141   1.783
  400   1HB   CYS  59          HB2       CYS  59 139.118  -0.344  -0.243
  401   2HB   CYS  59          HB1       CYS  59 139.182  -1.920  -0.994
  402    H    ASN  60           HN       ASN  60 136.328  -1.465   2.264
  403    HA   ASN  60           HA       ASN  60 135.275  -4.177   2.032
  404   1HB   ASN  60          HB2       ASN  60 135.105  -2.137   3.986
  405   2HB   ASN  60          HB1       ASN  60 133.476  -2.372   3.365
  406   1HD2  ASN  60          HD21      ASN  60 133.281  -3.040   5.690
  407   2HD2  ASN  60          HD22      ASN  60 133.527  -4.711   6.045
  408    H    ASP  61           HN       ASP  61 134.195  -4.624   0.211
  409    HA   ASP  61           HA       ASP  61 132.746  -2.515  -1.168
  410   1HB   ASP  61          HB2       ASP  61 134.219  -4.602  -2.103
  411   2HB   ASP  61          HB1       ASP  61 132.588  -5.250  -2.243
  412    H    LEU  62           HN       LEU  62 130.743  -2.097  -0.690
  413    HA   LEU  62           HA       LEU  62 129.024  -4.223   0.385
  414   1HB   LEU  62          HB2       LEU  62 128.299  -1.314   0.342
  415   2HB   LEU  62          HB1       LEU  62 127.682  -2.576   1.377
  416    HG   LEU  62           HG       LEU  62 130.294  -1.118   1.573
  417   1HD1  LEU  62          HD11      LEU  62 128.315  -0.221   2.724
  418   2HD1  LEU  62          HD12      LEU  62 129.570  -0.737   3.851
  419   3HD1  LEU  62          HD13      LEU  62 128.147  -1.746   3.594
  420   1HD2  LEU  62          HD21      LEU  62 131.161  -3.218   1.905
  421   2HD2  LEU  62          HD22      LEU  62 129.640  -3.869   2.517
  422   3HD2  LEU  62          HD23      LEU  62 130.627  -2.824   3.539
  423    H    LYS  63           HN       LYS  63 126.862  -4.457  -0.384
  424    HA   LYS  63           HA       LYS  63 126.642  -4.513  -3.174
  425   1HB   LYS  63          HB2       LYS  63 124.520  -4.667  -1.031
  426   2HB   LYS  63          HB1       LYS  63 124.210  -4.967  -2.734
  427   1HG   LYS  63          HG2       LYS  63 124.605  -7.101  -2.202
  428   2HG   LYS  63          HG1       LYS  63 126.303  -6.632  -2.290
  429   1HD   LYS  63          HD2       LYS  63 125.102  -6.041   0.297
  430   2HD   LYS  63          HD1       LYS  63 125.030  -7.756  -0.111
  431   1HE   LYS  63          HE2       LYS  63 127.307  -7.992  -0.114
  432   2HE   LYS  63          HE1       LYS  63 127.589  -6.310  -0.558
  433   1HZ   LYS  63          HZ1       LYS  63 128.194  -6.207   1.603
  434   2HZ   LYS  63          HZ2       LYS  63 127.208  -7.497   2.076
  435   3HZ   LYS  63          HZ3       LYS  63 126.536  -5.965   1.834
  436    H    ILE  64           HN       ILE  64 126.088  -1.966  -0.934
  437    HA   ILE  64           HA       ILE  64 124.777  -0.385  -3.041
  438    HB   ILE  64           HB       ILE  64 123.373  -0.817  -1.031
  439   1HG1  ILE  64          HG12      ILE  64 123.886   2.101  -0.934
  440   2HG1  ILE  64          HG11      ILE  64 123.546   1.416  -2.521
  441   1HG2  ILE  64          HG21      ILE  64 123.918   0.450   1.037
  442   2HG2  ILE  64          HG22      ILE  64 125.508   0.793   0.355
  443   3HG2  ILE  64          HG23      ILE  64 125.033  -0.871   0.694
  444   1HD1  ILE  64          HD11      ILE  64 121.387   1.296  -2.070
  445   2HD1  ILE  64          HD12      ILE  64 121.710   2.181  -0.579
  446   3HD1  ILE  64          HD13      ILE  64 121.693   0.416  -0.572
  447    H    GLY  65           HN       GLY  65 127.702  -0.776  -2.455
  448   1HA   GLY  65          HA2       GLY  65 129.019   1.269  -3.214
  449   2HA   GLY  65          HA1       GLY  65 128.401   2.000  -1.745
  450    H    TYR  66           HN       TYR  66 131.121   1.088  -2.864
  451    HA   TYR  66           HA       TYR  66 132.004  -0.636  -0.684
  452   1HB   TYR  66          HB2       TYR  66 134.080  -0.869  -1.929
  453   2HB   TYR  66          HB1       TYR  66 132.708  -1.183  -2.985
  454    HD1  TYR  66           HD1      TYR  66 134.957   1.633  -1.978
  455    HD2  TYR  66           HD2      TYR  66 132.678  -0.196  -5.072
  456    HE1  TYR  66           HE1      TYR  66 135.809   3.292  -3.577
  457    HE2  TYR  66           HE2      TYR  66 133.524   1.462  -6.679
  458    HH   TYR  66           HH       TYR  66 135.835   2.989  -6.703
  459    H    GLU  67           HN       GLU  67 133.574  -0.073   0.793
  460    HA   GLU  67           HA       GLU  67 134.369   2.760   0.853
  461   1HB   GLU  67          HB2       GLU  67 134.295   1.767   3.520
  462   2HB   GLU  67          HB1       GLU  67 133.348   3.066   2.815
  463   1HG   GLU  67          HG2       GLU  67 132.579   0.164   2.661
  464   2HG   GLU  67          HG1       GLU  67 132.025   1.264   3.921
  465    H    CYS  68           HN       CYS  68 136.319   3.135   2.238
  466    HA   CYS  68           HA       CYS  68 138.223   0.968   1.763
  467   1HB   CYS  68          HB2       CYS  68 139.027   3.699   2.687
  468   2HB   CYS  68          HB1       CYS  68 139.899   2.570   1.657
  469    H    LEU  69           HN       LEU  69 139.337  -0.033   3.345
  470    HA   LEU  69           HA       LEU  69 138.761   0.783   6.118
  471   1HB   LEU  69          HB2       LEU  69 139.412  -2.035   5.332
  472   2HB   LEU  69          HB1       LEU  69 138.614  -1.459   6.779
  473    HG   LEU  69           HG       LEU  69 137.438  -1.601   4.005
  474   1HD1  LEU  69          HD11      LEU  69 136.823  -3.639   4.620
  475   2HD1  LEU  69          HD12      LEU  69 135.861  -2.923   5.914
  476   3HD1  LEU  69          HD13      LEU  69 137.526  -3.416   6.222
  477   1HD2  LEU  69          HD21      LEU  69 135.741  -0.900   6.316
  478   2HD2  LEU  69          HD22      LEU  69 135.658  -0.358   4.639
  479   3HD2  LEU  69          HD23      LEU  69 136.833   0.361   5.742
  480    H    CYS  70           HN       CYS  70 140.434  -0.468   7.623
  481    HA   CYS  70           HA       CYS  70 143.042  -0.942   6.737
  482   1HB   CYS  70          HB2       CYS  70 142.551   1.711   6.505
  483   2HB   CYS  70          HB1       CYS  70 143.127   1.651   8.167
  484    HA   PRO  71           HA       PRO  71 143.244  -2.785  10.746
  485   1HB   PRO  71          HB2       PRO  71 146.036  -1.723  10.775
  486   2HB   PRO  71          HB1       PRO  71 145.448  -3.350  11.130
  487   1HG   PRO  71          HG2       PRO  71 146.615  -2.814   8.801
  488   2HG   PRO  71          HG1       PRO  71 145.218  -3.900   8.890
  489   1HD   PRO  71          HD2       PRO  71 145.376  -1.093   7.913
  490   2HD   PRO  71          HD1       PRO  71 144.336  -2.423   7.365
  491    H    ASP  72           HN       ASP  72 143.858  -2.227  13.031
  492    HA   ASP  72           HA       ASP  72 142.696   0.210  13.774
  493   1HB   ASP  72          HB2       ASP  72 143.116  -2.046  15.094
  494   2HB   ASP  72          HB1       ASP  72 144.546  -1.185  15.654
  495    H    GLY  73           HN       GLY  73 143.550   2.036  14.775
  496   1HA   GLY  73          HA2       GLY  73 145.051   3.737  15.150
  497   2HA   GLY  73          HA1       GLY  73 146.322   2.529  15.095
  498    H    PHE  74           HN       PHE  74 144.206   2.926  12.351
  499    HA   PHE  74           HA       PHE  74 146.334   4.430  10.977
  500   1HB   PHE  74          HB2       PHE  74 144.836   2.027   9.952
  501   2HB   PHE  74          HB1       PHE  74 145.752   3.099   8.908
  502    HD1  PHE  74           HD1      PHE  74 148.238   3.518   9.674
  503    HD2  PHE  74           HD2      PHE  74 145.877   0.164  10.799
  504    HE1  PHE  74           HE1      PHE  74 150.287   2.243  10.156
  505    HE2  PHE  74           HE2      PHE  74 147.920  -1.119  11.284
  506    HZ   PHE  74           HZ       PHE  74 150.130  -0.078  10.963
  507    H    GLN  75           HN       GLN  75 145.717   6.029   9.669
  508    HA   GLN  75           HA       GLN  75 142.829   6.541   9.435
  509   1HB   GLN  75          HB2       GLN  75 144.659   8.142  10.618
  510   2HB   GLN  75          HB1       GLN  75 144.734   8.758   8.973
  511   1HG   GLN  75          HG2       GLN  75 142.223   8.981   9.076
  512   2HG   GLN  75          HG1       GLN  75 142.358   8.658  10.804
  513   1HE2  GLN  75          HE21      GLN  75 141.567  11.059   9.148
  514   2HE2  GLN  75          HE22      GLN  75 142.505  12.352   9.804
  515    H    LEU  76           HN       LEU  76 142.041   6.200   7.480
  516    HA   LEU  76           HA       LEU  76 143.649   5.832   5.188
  517   1HB   LEU  76          HB2       LEU  76 141.527   4.690   5.429
  518   2HB   LEU  76          HB1       LEU  76 140.673   6.219   5.478
  519    HG   LEU  76           HG       LEU  76 141.989   6.361   3.066
  520   1HD1  LEU  76          HD11      LEU  76 141.321   4.171   1.982
  521   2HD1  LEU  76          HD12      LEU  76 141.207   3.512   3.614
  522   3HD1  LEU  76          HD13      LEU  76 142.747   4.130   3.020
  523   1HD2  LEU  76          HD21      LEU  76 139.215   5.580   3.875
  524   2HD2  LEU  76          HD22      LEU  76 139.674   5.636   2.173
  525   3HD2  LEU  76          HD23      LEU  76 139.790   7.089   3.166
  526    H    VAL  77           HN       VAL  77 144.678   7.429   4.116
  527    HA   VAL  77           HA       VAL  77 143.538  10.104   4.121
  528    HB   VAL  77           HB       VAL  77 146.267   9.182   3.226
  529   1HG1  VAL  77          HG11      VAL  77 146.698  11.720   3.551
  530   2HG1  VAL  77          HG12      VAL  77 144.952  11.867   3.350
  531   3HG1  VAL  77          HG13      VAL  77 145.930  11.159   2.064
  532   1HG2  VAL  77          HG21      VAL  77 145.363  10.512   5.776
  533   2HG2  VAL  77          HG22      VAL  77 147.045  10.270   5.307
  534   3HG2  VAL  77          HG23      VAL  77 146.002   8.878   5.606
  535    H    ALA  78           HN       ALA  78 143.037  11.244   2.308
  536    HA   ALA  78           HA       ALA  78 142.547  11.700   0.123
  537   1HB   ALA  78          HB1       ALA  78 143.844   9.213  -0.875
  538   2HB   ALA  78          HB2       ALA  78 144.853  10.478  -0.175
  539   3HB   ALA  78          HB3       ALA  78 143.829  10.836  -1.565
  540    H    GLN  79           HN       GLN  79 141.082   9.698   1.919
  541    HA   GLN  79           HA       GLN  79 139.142   8.532   1.830
  542   1HB   GLN  79          HB2       GLN  79 139.121  10.027  -0.736
  543   2HB   GLN  79          HB1       GLN  79 137.981   8.700  -0.573
  544   1HG   GLN  79          HG2       GLN  79 136.950   9.705   1.313
  545   2HG   GLN  79          HG1       GLN  79 138.220  10.923   1.433
  546   1HE2  GLN  79          HE21      GLN  79 135.543  11.592   1.325
  547   2HE2  GLN  79          HE22      GLN  79 135.220  12.404  -0.165
  548    H    ARG  80           HN       ARG  80 141.815   7.450   0.673
  549    HA   ARG  80           HA       ARG  80 140.770   4.856   0.095
  550   1HB   ARG  80          HB2       ARG  80 142.040   6.418  -2.132
  551   2HB   ARG  80          HB1       ARG  80 142.059   4.670  -2.109
  552   1HG   ARG  80          HG2       ARG  80 139.431   5.148  -1.691
  553   2HG   ARG  80          HG1       ARG  80 139.869   6.524  -2.703
  554   1HD   ARG  80          HD2       ARG  80 141.090   4.209  -3.806
  555   2HD   ARG  80          HD1       ARG  80 139.405   3.817  -3.467
  556    HE   ARG  80           HE       ARG  80 138.803   5.163  -5.204
  557   1HH1  ARG  80          HH11      ARG  80 142.015   6.069  -4.182
  558   2HH1  ARG  80          HH12      ARG  80 142.237   7.207  -5.468
  559   1HH2  ARG  80          HH21      ARG  80 139.095   6.659  -6.896
  560   2HH2  ARG  80          HH22      ARG  80 140.581   7.542  -7.009
  561    H    ARG  81           HN       ARG  81 143.521   6.992   0.458
  562    HA   ARG  81           HA       ARG  81 145.416   4.823   0.565
  563   1HB   ARG  81          HB2       ARG  81 145.722   7.385  -0.108
  564   2HB   ARG  81          HB1       ARG  81 146.125   7.509   1.598
  565   1HG   ARG  81          HG2       ARG  81 148.195   7.093   0.800
  566   2HG   ARG  81          HG1       ARG  81 147.656   5.422   0.975
  567   1HD   ARG  81          HD2       ARG  81 148.739   5.906  -1.210
  568   2HD   ARG  81          HD1       ARG  81 147.093   5.293  -1.349
  569    HE   ARG  81           HE       ARG  81 147.262   8.163  -1.351
  570   1HH1  ARG  81          HH11      ARG  81 147.404   5.287  -3.323
  571   2HH1  ARG  81          HH12      ARG  81 146.965   6.114  -4.780
  572   1HH2  ARG  81          HH21      ARG  81 146.686   9.252  -3.265
  573   2HH2  ARG  81          HH22      ARG  81 146.557   8.365  -4.748
  574    H    CYS  82           HN       CYS  82 146.776   4.409   2.427
  575    HA   CYS  82           HA       CYS  82 145.247   4.686   4.923
  576   1HB   CYS  82          HB2       CYS  82 146.833   2.471   3.758
  577   2HB   CYS  82          HB1       CYS  82 146.899   2.665   5.505
  578    H    GLU  83           HN       GLU  83 146.085   6.384   6.009
  579    HA   GLU  83           HA       GLU  83 148.642   6.166   7.162
  580   1HB   GLU  83          HB2       GLU  83 149.281   8.549   6.064
  581   2HB   GLU  83          HB1       GLU  83 149.847   7.006   5.442
  582   1HG   GLU  83          HG2       GLU  83 148.620   7.157   3.570
  583   2HG   GLU  83          HG1       GLU  83 147.250   7.893   4.397
  Start of MODEL   13
    1   1H    GLY   1           HT1      GLY   1 116.738  10.780  25.147
    2   2H    GLY   1           HT2      GLY   1 116.430   9.363  24.276
    3   3H    GLY   1           HT3      GLY   1 115.145  10.338  24.787
    4   1HA   GLY   1          HA1       GLY   1 115.664  12.044  23.279
    5   2HA   GLY   1          HA2       GLY   1 117.233  11.328  22.941
    6    H    ASN   2           HN       ASN   2 113.800  10.358  22.862
    7    HA   ASN   2           HA       ASN   2 114.305   8.638  20.587
    8   1HB   ASN   2          HB2       ASN   2 112.038   9.118  22.447
    9   2HB   ASN   2          HB1       ASN   2 111.634   8.541  20.834
   10   1HD2  ASN   2          HD21      ASN   2 113.821   7.869  23.536
   11   2HD2  ASN   2          HD22      ASN   2 113.777   6.149  23.370
   12    H    VAL   3           HN       VAL   3 113.716   8.998  18.505
   13    HA   VAL   3           HA       VAL   3 112.418  11.574  17.897
   14    HB   VAL   3           HB       VAL   3 114.544  10.270  16.196
   15   1HG1  VAL   3          HG11      VAL   3 113.183  11.632  14.842
   16   2HG1  VAL   3          HG12      VAL   3 114.599  12.614  15.217
   17   3HG1  VAL   3          HG13      VAL   3 113.081  12.892  16.071
   18   1HG2  VAL   3          HG21      VAL   3 115.354  11.073  18.449
   19   2HG2  VAL   3          HG22      VAL   3 114.901  12.699  17.937
   20   3HG2  VAL   3          HG23      VAL   3 116.134  11.806  17.048
   21    H    THR   4           HN       THR   4 110.930  11.606  16.238
   22    HA   THR   4           HA       THR   4 110.312   9.019  14.974
   23    HB   THR   4           HB       THR   4 108.222  11.015  15.847
   24    HG1  THR   4           HG1      THR   4 109.340  10.123  17.657
   25   1HG2  THR   4          HG21      THR   4 106.879   9.728  14.647
   26   2HG2  THR   4          HG22      THR   4 107.153   8.468  15.848
   27   3HG2  THR   4          HG23      THR   4 108.141   8.525  14.389
   28    H    LEU   5           HN       LEU   5 111.139   9.454  12.982
   29    HA   LEU   5           HA       LEU   5 109.617  10.872  11.132
   30   1HB   LEU   5          HB2       LEU   5 111.592  12.478  12.561
   31   2HB   LEU   5          HB1       LEU   5 111.819  12.521  10.823
   32    HG   LEU   5           HG       LEU   5 109.060  12.961  11.819
   33   1HD1  LEU   5          HD11      LEU   5 111.364  14.700  12.478
   34   2HD1  LEU   5          HD12      LEU   5 109.846  14.449  13.340
   35   3HD1  LEU   5          HD13      LEU   5 109.889  15.486  11.914
   36   1HD2  LEU   5          HD21      LEU   5 109.319  14.775  10.000
   37   2HD2  LEU   5          HD22      LEU   5 109.240  13.084   9.508
   38   3HD2  LEU   5          HD23      LEU   5 110.796  13.911   9.573
   39    H    CYS   6           HN       CYS   6 111.320  11.523   9.159
   40    HA   CYS   6           HA       CYS   6 112.494   8.949   8.503
   41   1HB   CYS   6          HB2       CYS   6 111.072  10.068   6.846
   42   2HB   CYS   6          HB1       CYS   6 112.164  11.449   6.829
   43    H    GLU   7           HN       GLU   7 114.025   9.734  10.424
   44    HA   GLU   7           HA       GLU   7 116.455  10.739   9.109
   45   1HB   GLU   7          HB2       GLU   7 115.251  11.614  11.715
   46   2HB   GLU   7          HB1       GLU   7 116.987  11.726  11.454
   47   1HG   GLU   7          HG2       GLU   7 116.797  13.488  10.090
   48   2HG   GLU   7          HG1       GLU   7 115.361  12.848   9.294
   49    H    GLY   8           HN       GLY   8 118.435  10.263  10.545
   50   1HA   GLY   8          HA2       GLY   8 119.102   8.692  12.415
   51   2HA   GLY   8          HA1       GLY   8 118.145   7.501  11.550
   52    HA   PRO   9           HA       PRO   9 122.666   8.410   9.724
   53   1HB   PRO   9          HB2       PRO   9 123.655   6.663  11.920
   54   2HB   PRO   9          HB1       PRO   9 124.420   8.065  11.165
   55   1HG   PRO   9          HG2       PRO   9 123.345   8.250  13.593
   56   2HG   PRO   9          HG1       PRO   9 123.200   9.579  12.428
   57   1HD   PRO   9          HD2       PRO   9 121.167   7.551  13.258
   58   2HD   PRO   9          HD1       PRO   9 120.954   9.272  12.873
   59    H    ASN  10           HN       ASN  10 120.995   5.687  11.152
   60    HA   ASN  10           HA       ASN  10 122.168   3.886   9.150
   61   1HB   ASN  10          HB2       ASN  10 121.064   2.087  10.572
   62   2HB   ASN  10          HB1       ASN  10 122.398   2.960  11.323
   63   1HD2  ASN  10          HD21      ASN  10 118.873   2.972  11.041
   64   2HD2  ASN  10          HD22      ASN  10 118.572   3.536  12.647
   65    H    LYS  11           HN       LYS  11 120.064   5.903   8.619
   66    HA   LYS  11           HA       LYS  11 117.750   4.208   8.030
   67   1HB   LYS  11          HB2       LYS  11 117.846   6.731   9.010
   68   2HB   LYS  11          HB1       LYS  11 117.693   7.071   7.292
   69   1HG   LYS  11          HG2       LYS  11 115.501   7.032   8.034
   70   2HG   LYS  11          HG1       LYS  11 115.726   5.420   7.351
   71   1HD   LYS  11          HD2       LYS  11 115.529   4.403   9.355
   72   2HD   LYS  11          HD1       LYS  11 116.404   5.681  10.202
   73   1HE   LYS  11          HE2       LYS  11 114.285   5.932  11.067
   74   2HE   LYS  11          HE1       LYS  11 114.253   7.078   9.727
   75   1HZ   LYS  11          HZ1       LYS  11 112.284   5.903   9.502
   76   2HZ   LYS  11          HZ2       LYS  11 112.987   4.419   9.906
   77   3HZ   LYS  11          HZ3       LYS  11 113.306   5.123   8.402
   78    H    PHE  12           HN       PHE  12 116.709   4.492   5.886
   79    HA   PHE  12           HA       PHE  12 118.565   5.153   3.723
   80   1HB   PHE  12          HB2       PHE  12 118.647   2.661   4.305
   81   2HB   PHE  12          HB1       PHE  12 117.007   2.574   3.674
   82    HD1  PHE  12           HD1      PHE  12 116.654   2.223   1.416
   83    HD2  PHE  12           HD2      PHE  12 120.442   3.643   2.737
   84    HE1  PHE  12           HE1      PHE  12 117.543   1.960  -0.864
   85    HE2  PHE  12           HE2      PHE  12 121.338   3.384   0.459
   86    HZ   PHE  12           HZ       PHE  12 119.887   2.541  -1.344
   87    H    LYS  13           HN       LYS  13 117.599   5.927   1.888
   88    HA   LYS  13           HA       LYS  13 114.670   6.219   2.001
   89   1HB   LYS  13          HB2       LYS  13 115.042   8.237   0.545
   90   2HB   LYS  13          HB1       LYS  13 115.680   8.374   2.178
   91   1HG   LYS  13          HG2       LYS  13 117.865   8.301   1.481
   92   2HG   LYS  13          HG1       LYS  13 117.475   7.428  -0.003
   93   1HD   LYS  13          HD2       LYS  13 116.782  10.311   0.561
   94   2HD   LYS  13          HD1       LYS  13 118.134   9.763  -0.433
   95   1HE   LYS  13          HE2       LYS  13 116.698   9.932  -2.143
   96   2HE   LYS  13          HE1       LYS  13 116.030   8.416  -1.539
   97   1HZ   LYS  13          HZ1       LYS  13 114.184   9.428  -0.805
   98   2HZ   LYS  13          HZ2       LYS  13 114.601  10.642  -1.905
   99   3HZ   LYS  13          HZ3       LYS  13 115.002  10.809  -0.271
  100    H    CYS  14           HN       CYS  14 113.495   5.350   0.415
  101    HA   CYS  14           HA       CYS  14 114.849   3.959  -1.731
  102   1HB   CYS  14          HB2       CYS  14 112.330   3.731  -0.357
  103   2HB   CYS  14          HB1       CYS  14 112.055   3.790  -2.095
  104    H    HIS  15           HN       HIS  15 113.748   4.063  -3.958
  105    HA   HIS  15           HA       HIS  15 114.133   6.635  -5.017
  106   1HB   HIS  15          HB2       HIS  15 113.969   4.126  -6.072
  107   2HB   HIS  15          HB1       HIS  15 112.441   4.818  -6.605
  108    HD1  HIS  15           HD1      HIS  15 115.631   6.804  -6.329
  109    HD2  HIS  15           HD2      HIS  15 113.163   5.170  -9.245
  110    HE1  HIS  15           HE1      HIS  15 116.466   7.731  -8.512
  111    HE2  HIS  15           HE2      HIS  15 114.903   6.797 -10.253
  112    H    SER  16           HN       SER  16 111.342   5.106  -3.665
  113    HA   SER  16           HA       SER  16 109.543   7.110  -4.794
  114   1HB   SER  16          HB2       SER  16 109.087   4.518  -4.447
  115   2HB   SER  16          HB1       SER  16 108.601   5.060  -2.841
  116    HG   SER  16           HG       SER  16 106.804   5.660  -3.721
  117    H    GLY  17           HN       GLY  17 111.653   7.694  -2.733
  118   1HA   GLY  17          HA2       GLY  17 111.877   8.984  -0.851
  119   2HA   GLY  17          HA1       GLY  17 110.270   9.586  -1.226
  120    H    GLU  18           HN       GLU  18 111.430   6.375  -0.219
  121    HA   GLU  18           HA       GLU  18 109.566   6.538   2.059
  122   1HB   GLU  18          HB2       GLU  18 109.599   4.685  -0.024
  123   2HB   GLU  18          HB1       GLU  18 110.337   3.834   1.325
  124   1HG   GLU  18          HG2       GLU  18 107.911   5.313   2.019
  125   2HG   GLU  18          HG1       GLU  18 107.669   4.014   0.853
  126    H    CYS  19           HN       CYS  19 110.437   6.441   4.018
  127    HA   CYS  19           HA       CYS  19 113.269   6.010   4.321
  128   1HB   CYS  19          HB2       CYS  19 111.274   7.406   5.735
  129   2HB   CYS  19          HB1       CYS  19 111.854   6.158   6.833
  130    H    ILE  20           HN       ILE  20 114.266   4.176   4.912
  131    HA   ILE  20           HA       ILE  20 112.832   2.123   6.375
  132    HB   ILE  20           HB       ILE  20 113.496   0.352   4.835
  133   1HG1  ILE  20          HG12      ILE  20 114.522   2.621   3.117
  134   2HG1  ILE  20          HG11      ILE  20 115.479   1.338   3.849
  135   1HG2  ILE  20          HG21      ILE  20 111.287   1.359   4.581
  136   2HG2  ILE  20          HG22      ILE  20 111.924   0.814   3.029
  137   3HG2  ILE  20          HG23      ILE  20 111.949   2.529   3.440
  138   1HD1  ILE  20          HD11      ILE  20 114.406   1.386   1.291
  139   2HD1  ILE  20          HD12      ILE  20 113.399   0.247   2.185
  140   3HD1  ILE  20          HD13      ILE  20 115.145   0.011   2.111
  141    H    THR  21           HN       THR  21 114.559   0.233   6.747
  142    HA   THR  21           HA       THR  21 116.872   1.630   7.809
  143    HB   THR  21           HB       THR  21 117.027   0.021   9.371
  144    HG1  THR  21           HG1      THR  21 116.000  -1.928   7.593
  145   1HG2  THR  21          HG21      THR  21 114.278  -0.792   8.508
  146   2HG2  THR  21          HG22      THR  21 114.621   0.730   9.329
  147   3HG2  THR  21          HG23      THR  21 114.965  -0.801  10.132
  148    H    LEU  22           HN       LEU  22 119.020   0.758   7.625
  149    HA   LEU  22           HA       LEU  22 119.676   0.173   4.904
  150   1HB   LEU  22          HB2       LEU  22 121.963   0.355   5.610
  151   2HB   LEU  22          HB1       LEU  22 121.018   1.638   6.338
  152    HG   LEU  22           HG       LEU  22 120.877  -0.008   8.374
  153   1HD1  LEU  22          HD11      LEU  22 121.909  -1.944   7.781
  154   2HD1  LEU  22          HD12      LEU  22 123.307  -1.071   8.408
  155   3HD1  LEU  22          HD13      LEU  22 123.021  -1.144   6.670
  156   1HD2  LEU  22          HD21      LEU  22 122.144   2.266   7.981
  157   2HD2  LEU  22          HD22      LEU  22 123.566   1.221   8.025
  158   3HD2  LEU  22          HD23      LEU  22 122.467   1.275   9.404
  159    H    ASP  23           HN       ASP  23 119.292  -1.707   7.789
  160    HA   ASP  23           HA       ASP  23 120.903  -3.861   7.404
  161   1HB   ASP  23          HB2       ASP  23 117.997  -4.022   8.214
  162   2HB   ASP  23          HB1       ASP  23 119.211  -5.260   8.496
  163    H    LYS  24           HN       LYS  24 117.480  -3.984   6.341
  164    HA   LYS  24           HA       LYS  24 117.985  -6.134   4.654
  165   1HB   LYS  24          HB2       LYS  24 115.655  -5.481   3.753
  166   2HB   LYS  24          HB1       LYS  24 115.805  -6.024   5.414
  167   1HG   LYS  24          HG2       LYS  24 114.311  -4.065   5.080
  168   2HG   LYS  24          HG1       LYS  24 115.620  -3.792   6.229
  169   1HD   LYS  24          HD2       LYS  24 116.822  -2.465   4.707
  170   2HD   LYS  24          HD1       LYS  24 115.866  -3.030   3.334
  171   1HE   LYS  24          HE2       LYS  24 114.906  -1.277   5.590
  172   2HE   LYS  24          HE1       LYS  24 115.236  -0.764   3.937
  173   1HZ   LYS  24          HZ1       LYS  24 112.883  -1.922   5.012
  174   2HZ   LYS  24          HZ2       LYS  24 113.462  -2.866   3.735
  175   3HZ   LYS  24          HZ3       LYS  24 113.129  -1.227   3.490
  176    H    VAL  25           HN       VAL  25 119.149  -3.153   4.108
  177    HA   VAL  25           HA       VAL  25 118.296  -2.598   1.463
  178    HB   VAL  25           HB       VAL  25 120.234  -1.484   3.311
  179   1HG1  VAL  25          HG11      VAL  25 121.955  -2.217   1.828
  180   2HG1  VAL  25          HG12      VAL  25 121.719  -0.488   1.573
  181   3HG1  VAL  25          HG13      VAL  25 121.056  -1.648   0.421
  182   1HG2  VAL  25          HG21      VAL  25 119.290   0.459   2.681
  183   2HG2  VAL  25          HG22      VAL  25 118.062  -0.609   2.000
  184   3HG2  VAL  25          HG23      VAL  25 119.332   0.047   0.967
  185    H    CYS  26           HN       CYS  26 118.883  -3.454  -0.430
  186    HA   CYS  26           HA       CYS  26 119.992  -4.670  -2.006
  187   1HB   CYS  26          HB2       CYS  26 122.075  -3.799  -0.248
  188   2HB   CYS  26          HB1       CYS  26 122.406  -5.459  -0.727
  189    H    ASN  27           HN       ASN  27 118.250  -5.865  -0.064
  190    HA   ASN  27           HA       ASN  27 119.442  -8.505   0.377
  191   1HB   ASN  27          HB2       ASN  27 117.601  -8.940   1.877
  192   2HB   ASN  27          HB1       ASN  27 118.283  -7.365   2.272
  193   1HD2  ASN  27          HD21      ASN  27 115.675  -8.330   2.919
  194   2HD2  ASN  27          HD22      ASN  27 114.536  -7.282   2.152
  195    H    MET  28           HN       MET  28 118.924 -10.214  -0.817
  196    HA   MET  28           HA       MET  28 117.897 -10.308  -3.247
  197   1HB   MET  28          HB2       MET  28 117.344 -12.388  -1.129
  198   2HB   MET  28          HB1       MET  28 117.198 -12.651  -2.861
  199   1HG   MET  28          HG2       MET  28 119.590 -12.167  -3.120
  200   2HG   MET  28          HG1       MET  28 119.722 -11.960  -1.375
  201   1HE   MET  28          HE1       MET  28 121.381 -13.946  -3.354
  202   2HE   MET  28          HE2       MET  28 119.962 -14.395  -4.298
  203   3HE   MET  28          HE3       MET  28 120.825 -15.619  -3.367
  204    H    ALA  29           HN       ALA  29 115.848 -10.262  -0.351
  205    HA   ALA  29           HA       ALA  29 113.411 -10.664  -1.765
  206   1HB   ALA  29          HB1       ALA  29 112.430 -10.659   0.266
  207   2HB   ALA  29          HB2       ALA  29 113.310  -9.231   0.808
  208   3HB   ALA  29          HB3       ALA  29 114.093 -10.811   0.834
  209    H    ARG  30           HN       ARG  30 111.803  -9.180  -2.299
  210    HA   ARG  30           HA       ARG  30 112.766  -6.626  -3.171
  211   1HB   ARG  30          HB2       ARG  30 110.824  -8.316  -4.054
  212   2HB   ARG  30          HB1       ARG  30 109.859  -7.107  -3.219
  213   1HG   ARG  30          HG2       ARG  30 111.933  -6.023  -4.985
  214   2HG   ARG  30          HG1       ARG  30 110.655  -6.929  -5.798
  215   1HD   ARG  30          HD2       ARG  30 110.379  -4.515  -4.022
  216   2HD   ARG  30          HD1       ARG  30 109.970  -4.654  -5.731
  217    HE   ARG  30           HE       ARG  30 108.362  -5.465  -3.488
  218   1HH1  ARG  30          HH11      ARG  30 108.982  -5.938  -6.890
  219   2HH1  ARG  30          HH12      ARG  30 107.393  -6.541  -7.223
  220   1HH2  ARG  30          HH21      ARG  30 106.272  -6.259  -3.925
  221   2HH2  ARG  30          HH22      ARG  30 105.855  -6.723  -5.541
  222    H    ASP  31           HN       ASP  31 112.627  -4.721  -2.179
  223    HA   ASP  31           HA       ASP  31 110.883  -4.511   0.187
  224   1HB   ASP  31          HB2       ASP  31 113.716  -3.988  -0.137
  225   2HB   ASP  31          HB1       ASP  31 112.870  -2.558   0.444
  226    H    CYS  32           HN       CYS  32 111.759  -3.167  -2.857
  227    HA   CYS  32           HA       CYS  32 109.727  -1.103  -2.514
  228   1HB   CYS  32          HB2       CYS  32 112.618  -0.614  -3.009
  229   2HB   CYS  32          HB1       CYS  32 111.470   0.375  -3.903
  230    H    ARG  33           HN       ARG  33 108.799  -0.369  -4.471
  231    HA   ARG  33           HA       ARG  33 108.613  -2.341  -6.489
  232   1HB   ARG  33          HB2       ARG  33 107.618   0.496  -6.304
  233   2HB   ARG  33          HB1       ARG  33 107.316  -0.512  -7.712
  234   1HG   ARG  33          HG2       ARG  33 105.437  -1.046  -6.616
  235   2HG   ARG  33          HG1       ARG  33 106.488  -2.163  -5.744
  236   1HD   ARG  33          HD2       ARG  33 106.863   0.103  -4.315
  237   2HD   ARG  33          HD1       ARG  33 105.196   0.325  -4.844
  238    HE   ARG  33           HE       ARG  33 105.400  -2.263  -3.866
  239   1HH1  ARG  33          HH11      ARG  33 105.726   0.992  -2.650
  240   2HH1  ARG  33          HH12      ARG  33 105.226   0.576  -1.045
  241   1HH2  ARG  33          HH21      ARG  33 104.744  -2.812  -1.755
  242   2HH2  ARG  33          HH22      ARG  33 104.669  -1.584  -0.536
  243    H    ASP  34           HN       ASP  34 110.194   0.836  -6.396
  244    HA   ASP  34           HA       ASP  34 111.096   0.796  -9.074
  245   1HB   ASP  34          HB2       ASP  34 112.287   2.264  -6.711
  246   2HB   ASP  34          HB1       ASP  34 112.569   2.632  -8.409
  247    H    TRP  35           HN       TRP  35 112.170  -0.853  -6.275
  248    HA   TRP  35           HA       TRP  35 113.867  -2.309  -5.888
  249   1HB   TRP  35          HB2       TRP  35 113.693  -2.258  -8.850
  250   2HB   TRP  35          HB1       TRP  35 115.153  -2.952  -8.153
  251    HD1  TRP  35           HD1      TRP  35 111.337  -3.468  -8.148
  252    HE1  TRP  35           HE1      TRP  35 110.855  -5.930  -7.578
  253    HE3  TRP  35           HE3      TRP  35 116.095  -4.999  -7.099
  254    HZ2  TRP  35           HZ2      TRP  35 112.303  -8.219  -6.786
  255    HZ3  TRP  35           HZ3      TRP  35 116.464  -7.341  -6.441
  256    HH2  TRP  35           HH2      TRP  35 114.606  -8.916  -6.286
  257    H    SER  36           HN       SER  36 114.316   0.745  -6.333
  258    HA   SER  36           HA       SER  36 117.022   1.023  -7.130
  259   1HB   SER  36          HB2       SER  36 115.423   2.908  -7.142
  260   2HB   SER  36          HB1       SER  36 115.355   2.850  -5.381
  261    HG   SER  36           HG       SER  36 117.759   3.232  -6.830
  262    H    ASP  37           HN       ASP  37 115.548  -0.127  -4.281
  263    HA   ASP  37           HA       ASP  37 117.774   0.495  -2.542
  264   1HB   ASP  37          HB2       ASP  37 115.559   0.519  -1.572
  265   2HB   ASP  37          HB1       ASP  37 115.257  -1.127  -2.118
  266    H    GLU  38           HN       GLU  38 116.446  -2.328  -4.221
  267    HA   GLU  38           HA       GLU  38 118.748  -3.896  -3.281
  268   1HB   GLU  38          HB2       GLU  38 116.362  -5.049  -4.696
  269   2HB   GLU  38          HB1       GLU  38 117.501  -5.854  -3.625
  270   1HG   GLU  38          HG2       GLU  38 115.624  -5.668  -2.310
  271   2HG   GLU  38          HG1       GLU  38 116.567  -4.261  -1.820
  272    HA   PRO  39           HA       PRO  39 119.595  -3.193  -7.821
  273   1HB   PRO  39          HB2       PRO  39 121.969  -1.983  -7.633
  274   2HB   PRO  39          HB1       PRO  39 120.468  -1.073  -7.421
  275   1HG   PRO  39          HG2       PRO  39 122.321  -2.172  -5.333
  276   2HG   PRO  39          HG1       PRO  39 121.565  -0.569  -5.421
  277   1HD   PRO  39          HD2       PRO  39 120.584  -2.604  -3.887
  278   2HD   PRO  39          HD1       PRO  39 119.570  -1.327  -4.586
  279    H    ILE  40           HN       ILE  40 119.861  -5.415  -8.084
  280    HA   ILE  40           HA       ILE  40 121.679  -7.088  -6.880
  281    HB   ILE  40           HB       ILE  40 120.784  -7.288  -9.757
  282   1HG1  ILE  40          HG12      ILE  40 119.489  -8.299  -7.214
  283   2HG1  ILE  40          HG11      ILE  40 118.861  -7.041  -8.274
  284   1HG2  ILE  40          HG21      ILE  40 121.705  -9.418  -7.831
  285   2HG2  ILE  40          HG22      ILE  40 122.641  -8.777  -9.181
  286   3HG2  ILE  40          HG23      ILE  40 121.156  -9.679  -9.487
  287   1HD1  ILE  40          HD11      ILE  40 119.157  -9.137  -9.992
  288   2HD1  ILE  40          HD12      ILE  40 117.660  -8.681  -9.179
  289   3HD1  ILE  40          HD13      ILE  40 118.688  -9.940  -8.494
  290    H    LYS  41           HN       LYS  41 122.280  -4.747  -9.404
  291    HA   LYS  41           HA       LYS  41 124.827  -5.859 -10.147
  292   1HB   LYS  41          HB2       LYS  41 123.104  -4.205 -11.411
  293   2HB   LYS  41          HB1       LYS  41 124.238  -3.027 -10.767
  294   1HG   LYS  41          HG2       LYS  41 125.985  -4.753 -11.805
  295   2HG   LYS  41          HG1       LYS  41 124.610  -5.076 -12.864
  296   1HD   LYS  41          HD2       LYS  41 125.422  -3.341 -14.048
  297   2HD   LYS  41          HD1       LYS  41 124.608  -2.364 -12.825
  298   1HE   LYS  41          HE2       LYS  41 126.545  -1.703 -11.878
  299   2HE   LYS  41          HE1       LYS  41 127.316  -3.271 -12.119
  300   1HZ   LYS  41          HZ1       LYS  41 128.489  -2.119 -13.634
  301   2HZ   LYS  41          HZ2       LYS  41 127.305  -0.927 -13.832
  302   3HZ   LYS  41          HZ3       LYS  41 127.152  -2.412 -14.629
  303    H    GLU  42           HN       GLU  42 123.646  -3.564  -7.834
  304    HA   GLU  42           HA       GLU  42 126.358  -2.652  -7.230
  305   1HB   GLU  42          HB2       GLU  42 125.144  -0.739  -7.275
  306   2HB   GLU  42          HB1       GLU  42 123.642  -1.556  -6.886
  307   1HG   GLU  42          HG2       GLU  42 124.086  -0.103  -5.109
  308   2HG   GLU  42          HG1       GLU  42 124.469  -1.714  -4.515
  309    H    CYS  43           HN       CYS  43 124.229  -5.029  -6.213
  310    HA   CYS  43           HA       CYS  43 124.872  -4.901  -3.399
  311   1HB   CYS  43          HB2       CYS  43 123.397  -6.977  -5.029
  312   2HB   CYS  43          HB1       CYS  43 123.606  -7.055  -3.284
  313    H    GLY  44           HN       GLY  44 125.506  -7.231  -6.029
  314   1HA   GLY  44          HA2       GLY  44 127.604  -8.454  -4.399
  315   2HA   GLY  44          HA1       GLY  44 126.961  -9.087  -5.908
  316    H    THR  45           HN       THR  45 128.108  -5.797  -5.355
  317    HA   THR  45           HA       THR  45 129.951  -6.094  -7.579
  318    HB   THR  45           HB       THR  45 129.930  -3.546  -6.108
  319    HG1  THR  45           HG1      THR  45 127.873  -3.260  -6.088
  320   1HG2  THR  45          HG21      THR  45 130.771  -3.052  -8.111
  321   2HG2  THR  45          HG22      THR  45 129.086  -3.016  -8.632
  322   3HG2  THR  45          HG23      THR  45 130.053  -4.471  -8.874
  323    H    ASN  46           HN       ASN  46 132.162  -5.818  -7.487
  324    HA   ASN  46           HA       ASN  46 133.386  -5.614  -4.824
  325   1HB   ASN  46          HB2       ASN  46 133.409  -7.979  -5.461
  326   2HB   ASN  46          HB1       ASN  46 134.152  -7.573  -7.005
  327   1HD2  ASN  46          HD21      ASN  46 134.711  -6.890  -3.564
  328   2HD2  ASN  46          HD22      ASN  46 136.407  -7.220  -3.601
  329    H    GLU  47           HN       GLU  47 133.425  -3.361  -5.732
  330    HA   GLU  47           HA       GLU  47 135.226  -2.802  -7.893
  331   1HB   GLU  47          HB2       GLU  47 134.051  -0.888  -5.875
  332   2HB   GLU  47          HB1       GLU  47 134.733  -0.479  -7.441
  333   1HG   GLU  47          HG2       GLU  47 132.785  -0.792  -8.436
  334   2HG   GLU  47          HG1       GLU  47 132.652  -2.417  -7.769
  335    H    CYS  48           HN       CYS  48 135.542  -3.163  -4.471
  336    HA   CYS  48           HA       CYS  48 137.740  -1.526  -3.976
  337   1HB   CYS  48          HB2       CYS  48 136.851  -4.100  -2.729
  338   2HB   CYS  48          HB1       CYS  48 138.232  -3.192  -2.133
  339    H    LEU  49           HN       LEU  49 137.969  -5.041  -3.990
  340    HA   LEU  49           HA       LEU  49 140.714  -5.167  -4.504
  341   1HB   LEU  49          HB2       LEU  49 138.449  -7.090  -4.743
  342   2HB   LEU  49          HB1       LEU  49 139.976  -7.521  -5.491
  343    HG   LEU  49           HG       LEU  49 139.713  -6.769  -2.583
  344   1HD1  LEU  49          HD11      LEU  49 139.236  -9.325  -3.985
  345   2HD1  LEU  49          HD12      LEU  49 138.575  -8.719  -2.467
  346   3HD1  LEU  49          HD13      LEU  49 140.202  -9.397  -2.511
  347   1HD2  LEU  49          HD21      LEU  49 141.899  -8.433  -3.721
  348   2HD2  LEU  49          HD22      LEU  49 141.917  -7.321  -2.352
  349   3HD2  LEU  49          HD23      LEU  49 141.937  -6.692  -3.999
  350    H    ASP  50           HN       ASP  50 138.195  -4.262  -6.532
  351    HA   ASP  50           HA       ASP  50 138.897  -5.235  -8.984
  352   1HB   ASP  50          HB2       ASP  50 136.837  -3.891  -8.239
  353   2HB   ASP  50          HB1       ASP  50 137.808  -2.474  -8.636
  354    H    ASN  51           HN       ASN  51 140.769  -3.087  -7.130
  355    HA   ASN  51           HA       ASN  51 142.305  -2.399  -9.529
  356   1HB   ASN  51          HB2       ASN  51 142.692  -0.103  -8.564
  357   2HB   ASN  51          HB1       ASN  51 141.043  -0.406  -9.072
  358   1HD2  ASN  51          HD21      ASN  51 142.708   1.091  -6.807
  359   2HD2  ASN  51          HD22      ASN  51 141.632   0.938  -5.464
  360    H    ASN  52           HN       ASN  52 143.597  -0.681  -7.065
  361    HA   ASN  52           HA       ASN  52 145.773  -2.532  -6.651
  362   1HB   ASN  52          HB2       ASN  52 146.685  -0.617  -5.300
  363   2HB   ASN  52          HB1       ASN  52 146.260  -0.168  -6.945
  364   1HD2  ASN  52          HD21      ASN  52 144.997  -0.200  -3.659
  365   2HD2  ASN  52          HD22      ASN  52 143.992   1.187  -3.847
  366    H    GLY  53           HN       GLY  53 143.110  -1.119  -4.944
  367   1HA   GLY  53          HA2       GLY  53 142.878  -3.172  -3.015
  368   2HA   GLY  53          HA1       GLY  53 143.698  -1.791  -2.316
  369    H    GLY  54           HN       GLY  54 141.349  -1.304  -4.835
  370   1HA   GLY  54          HA2       GLY  54 139.188  -0.539  -4.828
  371   2HA   GLY  54          HA1       GLY  54 139.138  -0.806  -3.097
  372    H    CYS  55           HN       CYS  55 141.366   0.635  -2.415
  373    HA   CYS  55           HA       CYS  55 140.753   3.388  -3.147
  374   1HB   CYS  55          HB2       CYS  55 140.787   2.112  -0.427
  375   2HB   CYS  55          HB1       CYS  55 141.137   3.818  -0.621
  376    H    SER  56           HN       SER  56 142.942   1.157  -1.442
  377    HA   SER  56           HA       SER  56 145.172   2.138  -2.790
  378   1HB   SER  56          HB2       SER  56 144.723   3.189  -0.021
  379   2HB   SER  56          HB1       SER  56 146.358   2.975  -0.646
  380    HG   SER  56           HG       SER  56 146.093   4.634  -1.918
  381    H    HIS  57           HN       HIS  57 144.351   0.745   0.388
  382    HA   HIS  57           HA       HIS  57 146.336  -1.359  -0.166
  383   1HB   HIS  57          HB2       HIS  57 145.304  -0.299   2.468
  384   2HB   HIS  57          HB1       HIS  57 146.386  -1.682   2.309
  385    HD1  HIS  57           HD1      HIS  57 147.776   0.236   3.882
  386    HD2  HIS  57           HD2      HIS  57 147.527   0.752  -0.230
  387    HE1  HIS  57           HE1      HIS  57 149.638   1.823   3.291
  388    HE2  HIS  57           HE2      HIS  57 149.540   2.033   0.783
  389    H    VAL  58           HN       VAL  58 143.438  -1.077   1.892
  390    HA   VAL  58           HA       VAL  58 142.349  -3.434   0.562
  391    HB   VAL  58           HB       VAL  58 141.805  -3.611   3.401
  392   1HG1  VAL  58          HG11      VAL  58 143.133  -5.471   1.435
  393   2HG1  VAL  58          HG12      VAL  58 141.418  -5.415   1.841
  394   3HG1  VAL  58          HG13      VAL  58 142.595  -5.919   3.054
  395   1HG2  VAL  58          HG21      VAL  58 144.712  -3.864   2.631
  396   2HG2  VAL  58          HG22      VAL  58 144.004  -4.228   4.205
  397   3HG2  VAL  58          HG23      VAL  58 144.032  -2.567   3.613
  398    H    CYS  59           HN       CYS  59 140.541  -2.636  -0.238
  399    HA   CYS  59           HA       CYS  59 138.934  -0.813   1.395
  400   1HB   CYS  59          HB2       CYS  59 139.297   0.261  -0.596
  401   2HB   CYS  59          HB1       CYS  59 139.346  -1.212  -1.535
  402    H    ASN  60           HN       ASN  60 136.977  -1.354   2.123
  403    HA   ASN  60           HA       ASN  60 136.063  -4.089   1.673
  404   1HB   ASN  60          HB2       ASN  60 136.281  -2.792   3.980
  405   2HB   ASN  60          HB1       ASN  60 134.670  -2.223   3.547
  406   1HD2  ASN  60          HD21      ASN  60 135.048  -3.716   5.789
  407   2HD2  ASN  60          HD22      ASN  60 134.343  -5.280   5.582
  408    H    ASP  61           HN       ASP  61 134.709  -4.405   0.031
  409    HA   ASP  61           HA       ASP  61 133.013  -2.244  -0.909
  410   1HB   ASP  61          HB2       ASP  61 134.334  -4.344  -2.166
  411   2HB   ASP  61          HB1       ASP  61 132.635  -4.799  -2.245
  412    H    LEU  62           HN       LEU  62 131.150  -1.931   0.076
  413    HA   LEU  62           HA       LEU  62 129.718  -4.177   1.261
  414   1HB   LEU  62          HB2       LEU  62 129.362  -1.201   1.408
  415   2HB   LEU  62          HB1       LEU  62 128.117  -2.288   1.976
  416    HG   LEU  62           HG       LEU  62 130.919  -2.000   3.046
  417   1HD1  LEU  62          HD11      LEU  62 129.422  -0.321   3.869
  418   2HD1  LEU  62          HD12      LEU  62 129.694  -1.504   5.147
  419   3HD1  LEU  62          HD13      LEU  62 128.190  -1.529   4.228
  420   1HD2  LEU  62          HD21      LEU  62 128.840  -4.101   3.604
  421   2HD2  LEU  62          HD22      LEU  62 130.163  -3.737   4.714
  422   3HD2  LEU  62          HD23      LEU  62 130.511  -4.329   3.089
  423    H    LYS  63           HN       LYS  63 127.149  -3.746   1.040
  424    HA   LYS  63           HA       LYS  63 126.603  -4.395  -1.695
  425   1HB   LYS  63          HB2       LYS  63 125.312  -4.714   0.846
  426   2HB   LYS  63          HB1       LYS  63 124.174  -4.018  -0.299
  427   1HG   LYS  63          HG2       LYS  63 124.176  -5.870  -1.642
  428   2HG   LYS  63          HG1       LYS  63 125.797  -6.361  -1.148
  429   1HD   LYS  63          HD2       LYS  63 123.423  -6.436   0.703
  430   2HD   LYS  63          HD1       LYS  63 123.897  -7.802  -0.309
  431   1HE   LYS  63          HE2       LYS  63 126.100  -7.822   0.756
  432   2HE   LYS  63          HE1       LYS  63 125.624  -6.459   1.767
  433   1HZ   LYS  63          HZ1       LYS  63 123.830  -7.879   2.666
  434   2HZ   LYS  63          HZ2       LYS  63 125.378  -8.464   3.012
  435   3HZ   LYS  63          HZ3       LYS  63 124.454  -9.186   1.793
  436    H    ILE  64           HN       ILE  64 126.246  -1.538   0.286
  437    HA   ILE  64           HA       ILE  64 124.947  -0.207  -1.998
  438    HB   ILE  64           HB       ILE  64 123.508  -0.389   0.025
  439   1HG1  ILE  64          HG12      ILE  64 123.499   2.404   0.080
  440   2HG1  ILE  64          HG11      ILE  64 124.155   1.994  -1.502
  441   1HG2  ILE  64          HG21      ILE  64 125.062  -0.221   1.802
  442   2HG2  ILE  64          HG22      ILE  64 124.025   1.201   1.898
  443   3HG2  ILE  64          HG23      ILE  64 125.651   1.340   1.232
  444   1HD1  ILE  64          HD11      ILE  64 121.815   2.217  -1.741
  445   2HD1  ILE  64          HD12      ILE  64 121.507   1.182  -0.347
  446   3HD1  ILE  64          HD13      ILE  64 122.179   0.494  -1.824
  447    H    GLY  65           HN       GLY  65 127.857  -0.489  -1.486
  448   1HA   GLY  65          HA2       GLY  65 129.006   1.642  -2.435
  449   2HA   GLY  65          HA1       GLY  65 128.598   2.279  -0.852
  450    H    TYR  66           HN       TYR  66 131.170   1.561  -2.335
  451    HA   TYR  66           HA       TYR  66 132.339  -0.380  -0.508
  452   1HB   TYR  66          HB2       TYR  66 134.335  -0.216  -1.938
  453   2HB   TYR  66          HB1       TYR  66 132.893  -0.586  -2.876
  454    HD1  TYR  66           HD1      TYR  66 132.562   0.575  -4.841
  455    HD2  TYR  66           HD2      TYR  66 134.877   2.391  -1.766
  456    HE1  TYR  66           HE1      TYR  66 133.031   2.478  -6.325
  457    HE2  TYR  66           HE2      TYR  66 135.350   4.298  -3.242
  458    HH   TYR  66           HH       TYR  66 133.672   5.055  -5.867
  459    H    GLU  67           HN       GLU  67 134.028   0.049   0.898
  460    HA   GLU  67           HA       GLU  67 134.698   2.883   1.319
  461   1HB   GLU  67          HB2       GLU  67 134.844   1.481   3.810
  462   2HB   GLU  67          HB1       GLU  67 133.861   2.874   3.390
  463   1HG   GLU  67          HG2       GLU  67 133.038   0.054   2.766
  464   2HG   GLU  67          HG1       GLU  67 132.641   0.860   4.283
  465    H    CYS  68           HN       CYS  68 136.746   3.178   2.550
  466    HA   CYS  68           HA       CYS  68 138.679   1.161   1.678
  467   1HB   CYS  68          HB2       CYS  68 139.529   3.768   2.857
  468   2HB   CYS  68          HB1       CYS  68 140.261   2.834   1.556
  469    H    LEU  69           HN       LEU  69 139.941   0.023   3.053
  470    HA   LEU  69           HA       LEU  69 139.674   0.576   5.936
  471   1HB   LEU  69          HB2       LEU  69 139.478  -2.037   4.458
  472   2HB   LEU  69          HB1       LEU  69 139.920  -1.985   6.153
  473    HG   LEU  69           HG       LEU  69 137.506  -2.474   5.698
  474   1HD1  LEU  69          HD11      LEU  69 138.449  -1.460   7.823
  475   2HD1  LEU  69          HD12      LEU  69 136.722  -1.257   7.536
  476   3HD1  LEU  69          HD13      LEU  69 137.830   0.082   7.233
  477   1HD2  LEU  69          HD21      LEU  69 136.077  -0.985   4.732
  478   2HD2  LEU  69          HD22      LEU  69 137.546  -0.609   3.833
  479   3HD2  LEU  69          HD23      LEU  69 137.052   0.413   5.181
  480    H    CYS  70           HN       CYS  70 141.467  -0.161   7.253
  481    HA   CYS  70           HA       CYS  70 143.871  -1.100   5.996
  482   1HB   CYS  70          HB2       CYS  70 143.473   1.682   6.075
  483   2HB   CYS  70          HB1       CYS  70 144.615   1.332   7.370
  484    HA   PRO  71           HA       PRO  71 144.835  -2.833   9.920
  485   1HB   PRO  71          HB2       PRO  71 147.428  -1.352   9.839
  486   2HB   PRO  71          HB1       PRO  71 147.120  -3.069  10.130
  487   1HG   PRO  71          HG2       PRO  71 148.043  -2.254   7.777
  488   2HG   PRO  71          HG1       PRO  71 146.816  -3.532   7.872
  489   1HD   PRO  71          HD2       PRO  71 146.514  -0.663   7.111
  490   2HD   PRO  71          HD1       PRO  71 145.675  -2.093   6.476
  491    H    ASP  72           HN       ASP  72 145.271  -2.322  12.179
  492    HA   ASP  72           HA       ASP  72 143.931  -0.038  13.065
  493   1HB   ASP  72          HB2       ASP  72 145.944  -1.624  14.668
  494   2HB   ASP  72          HB1       ASP  72 144.591  -0.681  15.286
  495    H    GLY  73           HN       GLY  73 144.687   1.795  14.224
  496   1HA   GLY  73          HA2       GLY  73 146.182   3.480  14.788
  497   2HA   GLY  73          HA1       GLY  73 147.492   2.468  14.202
  498    H    PHE  74           HN       PHE  74 146.699   2.071  11.557
  499    HA   PHE  74           HA       PHE  74 147.587   4.489  10.380
  500   1HB   PHE  74          HB2       PHE  74 146.532   1.908   9.253
  501   2HB   PHE  74          HB1       PHE  74 146.951   3.259   8.211
  502    HD1  PHE  74           HD1      PHE  74 149.358   4.315   9.476
  503    HD2  PHE  74           HD2      PHE  74 148.130   0.284   8.875
  504    HE1  PHE  74           HE1      PHE  74 151.711   3.598   9.496
  505    HE2  PHE  74           HE2      PHE  74 150.482  -0.439   8.894
  506    HZ   PHE  74           HZ       PHE  74 152.277   1.218   9.205
  507    H    GLN  75           HN       GLN  75 146.536   5.973   9.124
  508    HA   GLN  75           HA       GLN  75 143.592   5.922   9.240
  509   1HB   GLN  75          HB2       GLN  75 145.132   7.726  10.525
  510   2HB   GLN  75          HB1       GLN  75 144.970   8.532   8.971
  511   1HG   GLN  75          HG2       GLN  75 142.453   7.500  10.025
  512   2HG   GLN  75          HG1       GLN  75 143.214   8.715  11.050
  513   1HE2  GLN  75          HE21      GLN  75 141.505  10.144  10.589
  514   2HE2  GLN  75          HE22      GLN  75 141.420  10.984   9.081
  515    H    LEU  76           HN       LEU  76 142.600   5.910   7.341
  516    HA   LEU  76           HA       LEU  76 144.012   5.933   4.900
  517   1HB   LEU  76          HB2       LEU  76 141.990   4.650   5.128
  518   2HB   LEU  76          HB1       LEU  76 141.067   6.091   5.510
  519    HG   LEU  76           HG       LEU  76 142.115   6.684   3.028
  520   1HD1  LEU  76          HD11      LEU  76 141.408   4.655   1.687
  521   2HD1  LEU  76          HD12      LEU  76 141.493   3.749   3.198
  522   3HD1  LEU  76          HD13      LEU  76 142.939   4.527   2.553
  523   1HD2  LEU  76          HD21      LEU  76 139.899   7.249   3.584
  524   2HD2  LEU  76          HD22      LEU  76 139.465   5.569   3.901
  525   3HD2  LEU  76          HD23      LEU  76 139.771   6.104   2.249
  526    H    VAL  77           HN       VAL  77 144.871   7.699   3.957
  527    HA   VAL  77           HA       VAL  77 143.587  10.274   4.379
  528    HB   VAL  77           HB       VAL  77 145.661  11.286   3.581
  529   1HG1  VAL  77          HG11      VAL  77 147.161  10.422   5.427
  530   2HG1  VAL  77          HG12      VAL  77 145.893   9.247   5.779
  531   3HG1  VAL  77          HG13      VAL  77 145.559  10.973   5.917
  532   1HG2  VAL  77          HG21      VAL  77 146.462   9.718   1.996
  533   2HG2  VAL  77          HG22      VAL  77 146.522   8.428   3.197
  534   3HG2  VAL  77          HG23      VAL  77 147.657   9.774   3.291
  535    H    ALA  78           HN       ALA  78 142.954  11.613   2.761
  536    HA   ALA  78           HA       ALA  78 142.363  12.329   0.670
  537   1HB   ALA  78          HB1       ALA  78 144.660  11.111   0.117
  538   2HB   ALA  78          HB2       ALA  78 143.600  11.747  -1.141
  539   3HB   ALA  78          HB3       ALA  78 143.573  10.028  -0.750
  540    H    GLN  79           HN       GLN  79 141.056  10.025   2.276
  541    HA   GLN  79           HA       GLN  79 139.074   8.922   2.143
  542   1HB   GLN  79          HB2       GLN  79 138.763   9.972  -0.664
  543   2HB   GLN  79          HB1       GLN  79 137.499   9.464   0.447
  544   1HG   GLN  79          HG2       GLN  79 139.291  11.782   1.067
  545   2HG   GLN  79          HG1       GLN  79 137.845  11.965   0.076
  546   1HE2  GLN  79          HE21      GLN  79 137.867  13.430   2.247
  547   2HE2  GLN  79          HE22      GLN  79 136.845  12.786   3.482
  548    H    ARG  80           HN       ARG  80 141.743   8.087   0.575
  549    HA   ARG  80           HA       ARG  80 140.720   5.480  -0.052
  550   1HB   ARG  80          HB2       ARG  80 141.746   7.255  -2.245
  551   2HB   ARG  80          HB1       ARG  80 141.805   5.510  -2.368
  552   1HG   ARG  80          HG2       ARG  80 139.215   5.888  -1.667
  553   2HG   ARG  80          HG1       ARG  80 139.532   7.340  -2.618
  554   1HD   ARG  80          HD2       ARG  80 140.689   5.153  -3.999
  555   2HD   ARG  80          HD1       ARG  80 139.064   4.669  -3.516
  556    HE   ARG  80           HE       ARG  80 139.730   6.483  -5.571
  557   1HH1  ARG  80          HH11      ARG  80 137.420   6.033  -2.994
  558   2HH1  ARG  80          HH12      ARG  80 136.172   6.937  -3.785
  559   1HH2  ARG  80          HH21      ARG  80 138.091   7.673  -6.613
  560   2HH2  ARG  80          HH22      ARG  80 136.552   7.867  -5.840
  561    H    ARG  81           HN       ARG  81 143.439   7.668   0.271
  562    HA   ARG  81           HA       ARG  81 145.371   5.548   0.026
  563   1HB   ARG  81          HB2       ARG  81 145.452   8.365  -0.093
  564   2HB   ARG  81          HB1       ARG  81 146.478   7.879   1.248
  565   1HG   ARG  81          HG2       ARG  81 148.052   7.667  -0.320
  566   2HG   ARG  81          HG1       ARG  81 147.261   6.129  -0.666
  567   1HD   ARG  81          HD2       ARG  81 146.420   6.858  -2.625
  568   2HD   ARG  81          HD1       ARG  81 146.075   8.467  -1.994
  569    HE   ARG  81           HE       ARG  81 148.876   7.954  -2.377
  570   1HH1  ARG  81          HH11      ARG  81 145.932   9.033  -3.909
  571   2HH1  ARG  81          HH12      ARG  81 146.754   9.946  -5.130
  572   1HH2  ARG  81          HH21      ARG  81 149.959   9.153  -3.982
  573   2HH2  ARG  81          HH22      ARG  81 149.040  10.014  -5.172
  574    H    CYS  82           HN       CYS  82 146.936   5.077   1.740
  575    HA   CYS  82           HA       CYS  82 145.589   5.047   4.352
  576   1HB   CYS  82          HB2       CYS  82 147.162   3.008   2.875
  577   2HB   CYS  82          HB1       CYS  82 147.286   3.023   4.631
  578    H    GLU  83           HN       GLU  83 146.459   6.597   5.590
  579    HA   GLU  83           HA       GLU  83 149.130   6.383   6.463
  580   1HB   GLU  83          HB2       GLU  83 149.250   7.561   4.134
  581   2HB   GLU  83          HB1       GLU  83 148.688   8.971   5.020
  582   1HG   GLU  83          HG2       GLU  83 150.862   9.362   5.337
  583   2HG   GLU  83          HG1       GLU  83 150.721   8.146   6.606
  Start of MODEL   14
    1   1H    GLY   1           HT1      GLY   1 105.938  20.702  11.613
    2   2H    GLY   1           HT2      GLY   1 105.066  20.861  13.053
    3   3H    GLY   1           HT3      GLY   1 104.290  20.323  11.649
    4   1HA   GLY   1          HA1       GLY   1 105.100  18.665  13.521
    5   2HA   GLY   1          HA2       GLY   1 105.058  18.224  11.820
    6    H    ASN   2           HN       ASN   2 106.703  16.653  12.582
    7    HA   ASN   2           HA       ASN   2 109.377  17.867  12.414
    8   1HB   ASN   2          HB2       ASN   2 110.222  16.186  14.003
    9   2HB   ASN   2          HB1       ASN   2 108.992  17.211  14.738
   10   1HD2  ASN   2          HD21      ASN   2 109.602  14.860  15.905
   11   2HD2  ASN   2          HD22      ASN   2 108.309  13.732  15.704
   12    H    VAL   3           HN       VAL   3 110.623  17.036  10.866
   13    HA   VAL   3           HA       VAL   3 109.620  14.905   9.218
   14    HB   VAL   3           HB       VAL   3 111.711  15.256   7.905
   15   1HG1  VAL   3          HG11      VAL   3 110.002  16.508   7.034
   16   2HG1  VAL   3          HG12      VAL   3 111.142  17.786   7.456
   17   3HG1  VAL   3          HG13      VAL   3 109.778  17.436   8.516
   18   1HG2  VAL   3          HG21      VAL   3 113.419  16.568   8.579
   19   2HG2  VAL   3          HG22      VAL   3 112.786  16.209  10.186
   20   3HG2  VAL   3          HG23      VAL   3 112.356  17.721   9.386
   21    H    THR   4           HN       THR   4 110.401  12.851   8.988
   22    HA   THR   4           HA       THR   4 111.714  11.685  11.222
   23    HB   THR   4           HB       THR   4 111.681   9.606   9.832
   24    HG1  THR   4           HG1      THR   4 111.481   9.810   7.771
   25   1HG2  THR   4          HG21      THR   4 109.163  11.197  10.122
   26   2HG2  THR   4          HG22      THR   4 109.743   9.852  11.103
   27   3HG2  THR   4          HG23      THR   4 109.167   9.563   9.460
   28    H    LEU   5           HN       LEU   5 113.813  11.711  11.636
   29    HA   LEU   5           HA       LEU   5 115.701  12.186   9.451
   30   1HB   LEU   5          HB2       LEU   5 116.079  12.278  12.444
   31   2HB   LEU   5          HB1       LEU   5 117.331  12.622  11.267
   32    HG   LEU   5           HG       LEU   5 114.813  14.206  11.119
   33   1HD1  LEU   5          HD11      LEU   5 116.873  14.423  13.286
   34   2HD1  LEU   5          HD12      LEU   5 115.115  14.433  13.420
   35   3HD1  LEU   5          HD13      LEU   5 115.954  15.827  12.741
   36   1HD2  LEU   5          HD21      LEU   5 117.654  15.137  10.874
   37   2HD2  LEU   5          HD22      LEU   5 116.192  15.845  10.188
   38   3HD2  LEU   5          HD23      LEU   5 116.826  14.332   9.540
   39    H    CYS   6           HN       CYS   6 114.377   9.560  10.052
   40    HA   CYS   6           HA       CYS   6 114.902   7.348  10.108
   41   1HB   CYS   6          HB2       CYS   6 116.917   8.662   8.573
   42   2HB   CYS   6          HB1       CYS   6 117.684   7.375   9.496
   43    H    GLU   7           HN       GLU   7 114.788   6.631  12.157
   44    HA   GLU   7           HA       GLU   7 117.139   7.012  13.888
   45   1HB   GLU   7          HB2       GLU   7 115.539   6.435  15.754
   46   2HB   GLU   7          HB1       GLU   7 115.228   7.960  14.935
   47   1HG   GLU   7          HG2       GLU   7 113.277   7.241  14.032
   48   2HG   GLU   7          HG1       GLU   7 113.815   5.565  13.921
   49    H    GLY   8           HN       GLY   8 118.369   5.300  14.294
   50   1HA   GLY   8          HA2       GLY   8 117.982   2.885  15.195
   51   2HA   GLY   8          HA1       GLY   8 117.346   2.645  13.574
   52    HA   PRO   9           HA       PRO   9 122.076   2.407  13.572
   53   1HB   PRO   9          HB2       PRO   9 122.752   0.085  14.692
   54   2HB   PRO   9          HB1       PRO   9 122.434   1.516  15.679
   55   1HG   PRO   9          HG2       PRO   9 120.706  -0.860  15.170
   56   2HG   PRO   9          HG1       PRO   9 120.906   0.089  16.652
   57   1HD   PRO   9          HD2       PRO   9 118.819   0.349  14.808
   58   2HD   PRO   9          HD1       PRO   9 119.249   1.524  16.064
   59    H    ASN  10           HN       ASN  10 119.857   1.475  11.799
   60    HA   ASN  10           HA       ASN  10 121.385   0.080   9.905
   61   1HB   ASN  10          HB2       ASN  10 120.061  -2.073   9.917
   62   2HB   ASN  10          HB1       ASN  10 121.180  -1.875  11.262
   63   1HD2  ASN  10          HD21      ASN  10 117.886  -2.116  10.292
   64   2HD2  ASN  10          HD22      ASN  10 117.198  -2.179  11.875
   65    H    LYS  11           HN       LYS  11 119.891   2.332   9.741
   66    HA   LYS  11           HA       LYS  11 117.425   1.553   8.343
   67   1HB   LYS  11          HB2       LYS  11 118.328   4.193   9.498
   68   2HB   LYS  11          HB1       LYS  11 116.898   4.021   8.490
   69   1HG   LYS  11          HG2       LYS  11 116.426   2.111  10.338
   70   2HG   LYS  11          HG1       LYS  11 117.335   3.280  11.298
   71   1HD   LYS  11          HD2       LYS  11 115.657   4.775  11.280
   72   2HD   LYS  11          HD1       LYS  11 115.282   4.474   9.582
   73   1HE   LYS  11          HE2       LYS  11 114.383   2.187  10.571
   74   2HE   LYS  11          HE1       LYS  11 114.223   3.163  12.031
   75   1HZ   LYS  11          HZ1       LYS  11 113.065   4.806  10.401
   76   2HZ   LYS  11          HZ2       LYS  11 112.205   3.495  11.036
   77   3HZ   LYS  11          HZ3       LYS  11 112.823   3.418   9.462
   78    H    PHE  12           HN       PHE  12 116.885   2.873   6.399
   79    HA   PHE  12           HA       PHE  12 119.143   3.935   4.916
   80   1HB   PHE  12          HB2       PHE  12 118.830   1.333   4.578
   81   2HB   PHE  12          HB1       PHE  12 117.540   1.851   3.497
   82    HD1  PHE  12           HD1      PHE  12 118.048   3.158   1.494
   83    HD2  PHE  12           HD2      PHE  12 121.129   1.665   4.021
   84    HE1  PHE  12           HE1      PHE  12 119.698   3.564  -0.286
   85    HE2  PHE  12           HE2      PHE  12 122.786   2.067   2.246
   86    HZ   PHE  12           HZ       PHE  12 122.070   3.019   0.091
   87    H    LYS  13           HN       LYS  13 118.558   5.377   3.322
   88    HA   LYS  13           HA       LYS  13 115.663   5.843   3.027
   89   1HB   LYS  13          HB2       LYS  13 116.285   8.263   2.615
   90   2HB   LYS  13          HB1       LYS  13 116.444   7.693   4.266
   91   1HG   LYS  13          HG2       LYS  13 118.495   8.541   4.241
   92   2HG   LYS  13          HG1       LYS  13 118.937   7.226   3.152
   93   1HD   LYS  13          HD2       LYS  13 119.595   9.408   2.249
   94   2HD   LYS  13          HD1       LYS  13 118.396   8.614   1.226
   95   1HE   LYS  13          HE2       LYS  13 116.719  10.085   1.822
   96   2HE   LYS  13          HE1       LYS  13 117.497  10.515   3.344
   97   1HZ   LYS  13          HZ1       LYS  13 118.825  12.041   2.344
   98   2HZ   LYS  13          HZ2       LYS  13 117.514  12.122   1.277
   99   3HZ   LYS  13          HZ3       LYS  13 118.882  11.216   0.867
  100    H    CYS  14           HN       CYS  14 114.915   5.622   1.049
  101    HA   CYS  14           HA       CYS  14 116.660   5.091  -1.145
  102   1HB   CYS  14          HB2       CYS  14 113.728   5.707  -1.417
  103   2HB   CYS  14          HB1       CYS  14 114.720   4.641  -2.403
  104    H    HIS  15           HN       HIS  15 117.706   7.351  -0.626
  105    HA   HIS  15           HA       HIS  15 118.116   9.516  -1.215
  106   1HB   HIS  15          HB2       HIS  15 118.656   8.421  -3.310
  107   2HB   HIS  15          HB1       HIS  15 116.968   8.450  -3.804
  108    HD1  HIS  15           HD1      HIS  15 117.891  11.592  -2.244
  109    HD2  HIS  15           HD2      HIS  15 118.167   9.936  -6.046
  110    HE1  HIS  15           HE1      HIS  15 118.283  13.532  -3.796
  111    HE2  HIS  15           HE2      HIS  15 118.535  12.496  -6.079
  112    H    SER  16           HN       SER  16 115.314   9.290  -3.356
  113    HA   SER  16           HA       SER  16 114.124  11.551  -1.939
  114   1HB   SER  16          HB2       SER  16 114.480  11.175  -4.600
  115   2HB   SER  16          HB1       SER  16 112.844  10.545  -4.409
  116    HG   SER  16           HG       SER  16 113.806  13.127  -3.758
  117    H    GLY  17           HN       GLY  17 114.077   8.705  -1.014
  118   1HA   GLY  17          HA2       GLY  17 111.161   8.266  -1.041
  119   2HA   GLY  17          HA1       GLY  17 112.359   6.999  -0.825
  120    H    GLU  18           HN       GLU  18 111.534   6.263   1.088
  121    HA   GLU  18           HA       GLU  18 111.755   8.106   3.374
  122   1HB   GLU  18          HB2       GLU  18 110.096   6.659   4.512
  123   2HB   GLU  18          HB1       GLU  18 109.456   7.404   3.054
  124   1HG   GLU  18          HG2       GLU  18 109.295   5.431   1.942
  125   2HG   GLU  18          HG1       GLU  18 110.650   4.705   2.804
  126    H    CYS  19           HN       CYS  19 111.749   6.392   5.451
  127    HA   CYS  19           HA       CYS  19 114.380   5.231   5.282
  128   1HB   CYS  19          HB2       CYS  19 112.394   5.528   7.532
  129   2HB   CYS  19          HB1       CYS  19 113.925   4.682   7.726
  130    H    ILE  20           HN       ILE  20 114.927   3.098   5.287
  131    HA   ILE  20           HA       ILE  20 112.892   1.061   5.656
  132    HB   ILE  20           HB       ILE  20 113.623  -0.117   3.597
  133   1HG1  ILE  20          HG12      ILE  20 115.055   2.490   3.029
  134   2HG1  ILE  20          HG11      ILE  20 115.809   0.925   3.312
  135   1HG2  ILE  20          HG21      ILE  20 112.690   2.475   2.539
  136   2HG2  ILE  20          HG22      ILE  20 111.724   1.769   3.835
  137   3HG2  ILE  20          HG23      ILE  20 112.009   0.859   2.352
  138   1HD1  ILE  20          HD11      ILE  20 115.545   1.822   0.899
  139   2HD1  ILE  20          HD12      ILE  20 113.884   1.251   1.060
  140   3HD1  ILE  20          HD13      ILE  20 115.226   0.122   1.239
  141    H    THR  21           HN       THR  21 114.177  -1.181   5.392
  142    HA   THR  21           HA       THR  21 116.436  -0.859   7.178
  143    HB   THR  21           HB       THR  21 116.122  -3.003   7.830
  144    HG1  THR  21           HG1      THR  21 115.370  -4.655   6.470
  145   1HG2  THR  21          HG21      THR  21 113.417  -2.795   6.593
  146   2HG2  THR  21          HG22      THR  21 113.903  -1.744   7.924
  147   3HG2  THR  21          HG23      THR  21 113.884  -3.495   8.143
  148    H    LEU  22           HN       LEU  22 118.510  -1.481   6.788
  149    HA   LEU  22           HA       LEU  22 119.423  -1.255   4.116
  150   1HB   LEU  22          HB2       LEU  22 121.628  -1.554   5.031
  151   2HB   LEU  22          HB1       LEU  22 120.695  -0.495   6.068
  152    HG   LEU  22           HG       LEU  22 120.209  -2.725   7.383
  153   1HD1  LEU  22          HD11      LEU  22 122.618  -3.888   7.267
  154   2HD1  LEU  22          HD12      LEU  22 122.450  -3.397   5.583
  155   3HD1  LEU  22          HD13      LEU  22 121.234  -4.437   6.322
  156   1HD2  LEU  22          HD21      LEU  22 122.951  -1.560   7.688
  157   2HD2  LEU  22          HD22      LEU  22 121.814  -2.077   8.933
  158   3HD2  LEU  22          HD23      LEU  22 121.515  -0.593   8.028
  159    H    ASP  23           HN       ASP  23 118.577  -3.957   6.106
  160    HA   ASP  23           HA       ASP  23 120.084  -6.009   5.158
  161   1HB   ASP  23          HB2       ASP  23 117.101  -6.113   5.578
  162   2HB   ASP  23          HB1       ASP  23 118.180  -7.499   5.533
  163    H    LYS  24           HN       LYS  24 116.840  -5.331   3.766
  164    HA   LYS  24           HA       LYS  24 117.312  -6.924   1.549
  165   1HB   LYS  24          HB2       LYS  24 115.285  -5.590   0.635
  166   2HB   LYS  24          HB1       LYS  24 115.069  -6.635   2.026
  167   1HG   LYS  24          HG2       LYS  24 113.909  -4.523   2.304
  168   2HG   LYS  24          HG1       LYS  24 115.196  -4.688   3.497
  169   1HD   LYS  24          HD2       LYS  24 116.579  -3.152   2.365
  170   2HD   LYS  24          HD1       LYS  24 115.601  -3.233   0.899
  171   1HE   LYS  24          HE2       LYS  24 114.258  -2.329   3.382
  172   2HE   LYS  24          HE1       LYS  24 115.416  -1.224   2.643
  173   1HZ   LYS  24          HZ1       LYS  24 113.287  -0.751   1.745
  174   2HZ   LYS  24          HZ2       LYS  24 112.984  -2.377   1.396
  175   3HZ   LYS  24          HZ3       LYS  24 114.163  -1.533   0.527
  176    H    VAL  25           HN       VAL  25 119.217  -4.540   2.028
  177    HA   VAL  25           HA       VAL  25 118.950  -2.697  -0.051
  178    HB   VAL  25           HB       VAL  25 121.104  -3.548   1.764
  179   1HG1  VAL  25          HG11      VAL  25 122.805  -2.206   0.462
  180   2HG1  VAL  25          HG12      VAL  25 121.748  -2.419  -0.933
  181   3HG1  VAL  25          HG13      VAL  25 122.443  -3.826  -0.129
  182   1HG2  VAL  25          HG21      VAL  25 120.992  -1.410   2.466
  183   2HG2  VAL  25          HG22      VAL  25 119.445  -1.434   1.619
  184   3HG2  VAL  25          HG23      VAL  25 120.873  -0.768   0.828
  185    H    CYS  26           HN       CYS  26 119.446  -2.713  -2.164
  186    HA   CYS  26           HA       CYS  26 119.907  -3.506  -4.241
  187   1HB   CYS  26          HB2       CYS  26 122.211  -3.734  -2.786
  188   2HB   CYS  26          HB1       CYS  26 122.012  -5.374  -3.391
  189    H    ASN  27           HN       ASN  27 117.783  -4.802  -3.098
  190    HA   ASN  27           HA       ASN  27 118.071  -7.641  -3.189
  191   1HB   ASN  27          HB2       ASN  27 115.607  -7.667  -3.034
  192   2HB   ASN  27          HB1       ASN  27 116.330  -6.616  -1.820
  193   1HD2  ASN  27          HD21      ASN  27 113.811  -6.156  -2.170
  194   2HD2  ASN  27          HD22      ASN  27 113.510  -4.757  -3.138
  195    H    MET  28           HN       MET  28 116.164  -8.717  -4.676
  196    HA   MET  28           HA       MET  28 117.077  -8.178  -7.386
  197   1HB   MET  28          HB2       MET  28 116.757 -10.510  -6.163
  198   2HB   MET  28          HB1       MET  28 115.114 -10.335  -6.765
  199   1HG   MET  28          HG2       MET  28 115.983 -11.424  -8.534
  200   2HG   MET  28          HG1       MET  28 116.432  -9.788  -9.013
  201   1HE   MET  28          HE1       MET  28 117.271 -13.185  -8.245
  202   2HE   MET  28          HE2       MET  28 119.029 -13.322  -8.272
  203   3HE   MET  28          HE3       MET  28 118.152 -12.931  -9.751
  204    H    ALA  29           HN       ALA  29 114.344  -7.561  -5.398
  205    HA   ALA  29           HA       ALA  29 112.712  -6.908  -7.760
  206   1HB   ALA  29          HB1       ALA  29 111.300  -8.260  -6.624
  207   2HB   ALA  29          HB2       ALA  29 110.926  -6.761  -5.774
  208   3HB   ALA  29          HB3       ALA  29 112.050  -7.920  -5.064
  209    H    ARG  30           HN       ARG  30 111.159  -5.032  -7.345
  210    HA   ARG  30           HA       ARG  30 112.713  -2.709  -6.786
  211   1HB   ARG  30          HB2       ARG  30 110.220  -3.321  -8.050
  212   2HB   ARG  30          HB1       ARG  30 109.952  -2.040  -6.876
  213   1HG   ARG  30          HG2       ARG  30 112.321  -1.415  -8.292
  214   2HG   ARG  30          HG1       ARG  30 111.092  -1.873  -9.472
  215   1HD   ARG  30          HD2       ARG  30 111.003   0.323  -7.425
  216   2HD   ARG  30          HD1       ARG  30 110.829   0.443  -9.175
  217    HE   ARG  30           HE       ARG  30 108.775  -0.181  -7.267
  218   1HH1  ARG  30          HH11      ARG  30 109.777  -0.507 -10.593
  219   2HH1  ARG  30          HH12      ARG  30 108.165  -0.714 -11.189
  220   1HH2  ARG  30          HH21      ARG  30 106.654  -0.453  -8.049
  221   2HH2  ARG  30          HH22      ARG  30 106.391  -0.682  -9.745
  222    H    ASP  31           HN       ASP  31 112.649  -1.316  -5.066
  223    HA   ASP  31           HA       ASP  31 110.899  -2.032  -2.814
  224   1HB   ASP  31          HB2       ASP  31 113.813  -2.085  -2.908
  225   2HB   ASP  31          HB1       ASP  31 113.202  -1.073  -1.603
  226    H    CYS  32           HN       CYS  32 112.608   0.446  -4.593
  227    HA   CYS  32           HA       CYS  32 111.012   2.462  -3.176
  228   1HB   CYS  32          HB2       CYS  32 113.873   2.977  -3.968
  229   2HB   CYS  32          HB1       CYS  32 112.840   3.947  -2.923
  230    H    ARG  33           HN       ARG  33 111.558   4.704  -4.443
  231    HA   ARG  33           HA       ARG  33 110.720   4.149  -7.190
  232   1HB   ARG  33          HB2       ARG  33 109.314   5.639  -5.814
  233   2HB   ARG  33          HB1       ARG  33 110.673   6.740  -5.633
  234   1HG   ARG  33          HG2       ARG  33 109.943   7.798  -7.435
  235   2HG   ARG  33          HG1       ARG  33 110.422   6.386  -8.378
  236   1HD   ARG  33          HD2       ARG  33 108.257   6.346  -8.983
  237   2HD   ARG  33          HD1       ARG  33 108.022   5.573  -7.417
  238    HE   ARG  33           HE       ARG  33 107.899   8.442  -7.319
  239   1HH1  ARG  33          HH11      ARG  33 106.079   5.519  -7.885
  240   2HH1  ARG  33          HH12      ARG  33 104.557   6.242  -7.490
  241   1HH2  ARG  33          HH21      ARG  33 105.897   9.395  -6.799
  242   2HH2  ARG  33          HH22      ARG  33 104.452   8.441  -6.874
  243    H    ASP  34           HN       ASP  34 113.096   6.090  -5.395
  244    HA   ASP  34           HA       ASP  34 114.373   7.115  -7.721
  245   1HB   ASP  34          HB2       ASP  34 114.951   7.082  -4.801
  246   2HB   ASP  34          HB1       ASP  34 116.293   7.410  -5.893
  247    H    TRP  35           HN       TRP  35 114.442   4.067  -6.226
  248    HA   TRP  35           HA       TRP  35 115.619   2.168  -6.618
  249   1HB   TRP  35          HB2       TRP  35 116.210   3.788  -9.048
  250   2HB   TRP  35          HB1       TRP  35 117.188   2.352  -8.757
  251    HD1  TRP  35           HD1      TRP  35 113.486   3.343  -9.224
  252    HE1  TRP  35           HE1      TRP  35 112.234   1.327 -10.220
  253    HE3  TRP  35           HE3      TRP  35 117.270  -0.089  -9.120
  254    HZ2  TRP  35           HZ2      TRP  35 112.780  -1.365 -10.870
  255    HZ3  TRP  35           HZ3      TRP  35 116.823  -2.364  -9.945
  256    HH2  TRP  35           HH2      TRP  35 114.624  -2.988 -10.801
  257    H    SER  36           HN       SER  36 116.816   4.660  -5.220
  258    HA   SER  36           HA       SER  36 119.632   4.460  -5.538
  259   1HB   SER  36          HB2       SER  36 118.383   5.417  -2.987
  260   2HB   SER  36          HB1       SER  36 119.790   6.045  -3.845
  261    HG   SER  36           HG       SER  36 117.072   6.513  -4.283
  262    H    ASP  37           HN       ASP  37 117.271   2.713  -3.705
  263    HA   ASP  37           HA       ASP  37 119.159   1.529  -1.885
  264   1HB   ASP  37          HB2       ASP  37 116.818   1.879  -1.223
  265   2HB   ASP  37          HB1       ASP  37 116.291   0.782  -2.495
  266    H    GLU  38           HN       GLU  38 117.654   0.690  -4.940
  267    HA   GLU  38           HA       GLU  38 119.006  -1.915  -4.883
  268   1HB   GLU  38          HB2       GLU  38 116.761  -0.888  -6.617
  269   2HB   GLU  38          HB1       GLU  38 117.519  -2.464  -6.816
  270   1HG   GLU  38          HG2       GLU  38 115.517  -2.779  -5.589
  271   2HG   GLU  38          HG1       GLU  38 116.865  -2.990  -4.471
  272    HA   PRO  39           HA       PRO  39 121.467   0.599  -7.971
  273   1HB   PRO  39          HB2       PRO  39 123.889   0.335  -6.849
  274   2HB   PRO  39          HB1       PRO  39 122.756   1.580  -6.306
  275   1HG   PRO  39          HG2       PRO  39 123.337  -1.102  -5.097
  276   2HG   PRO  39          HG1       PRO  39 123.188   0.473  -4.294
  277   1HD   PRO  39          HD2       PRO  39 121.165  -1.339  -4.367
  278   2HD   PRO  39          HD1       PRO  39 120.892   0.414  -4.331
  279    H    ILE  40           HN       ILE  40 121.025  -1.113  -9.425
  280    HA   ILE  40           HA       ILE  40 121.864  -3.727  -9.300
  281    HB   ILE  40           HB       ILE  40 121.754  -2.069 -11.822
  282   1HG1  ILE  40          HG12      ILE  40 119.584  -3.609 -10.380
  283   2HG1  ILE  40          HG11      ILE  40 119.672  -1.861 -10.565
  284   1HG2  ILE  40          HG21      ILE  40 122.840  -4.200 -12.175
  285   2HG2  ILE  40          HG22      ILE  40 121.235  -4.223 -12.906
  286   3HG2  ILE  40          HG23      ILE  40 121.516  -5.040 -11.369
  287   1HD1  ILE  40          HD11      ILE  40 119.283  -2.018 -12.907
  288   2HD1  ILE  40          HD12      ILE  40 118.066  -2.996 -12.086
  289   3HD1  ILE  40          HD13      ILE  40 119.441  -3.774 -12.870
  290    H    LYS  41           HN       LYS  41 123.790  -0.901 -10.006
  291    HA   LYS  41           HA       LYS  41 125.986  -2.378 -11.122
  292   1HB   LYS  41          HB2       LYS  41 125.280   0.156 -11.406
  293   2HB   LYS  41          HB1       LYS  41 126.326   0.369 -10.009
  294   1HG   LYS  41          HG2       LYS  41 128.126  -0.810 -11.300
  295   2HG   LYS  41          HG1       LYS  41 127.069  -0.719 -12.710
  296   1HD   LYS  41          HD2       LYS  41 127.325   1.539 -12.927
  297   2HD   LYS  41          HD1       LYS  41 127.566   1.787 -11.196
  298   1HE   LYS  41          HE2       LYS  41 129.798   1.477 -11.329
  299   2HE   LYS  41          HE1       LYS  41 129.655   0.223 -12.560
  300   1HZ   LYS  41          HZ1       LYS  41 129.925   3.108 -12.869
  301   2HZ   LYS  41          HZ2       LYS  41 128.923   2.319 -13.979
  302   3HZ   LYS  41          HZ3       LYS  41 130.542   1.855 -13.824
  303    H    GLU  42           HN       GLU  42 124.996  -1.367  -7.946
  304    HA   GLU  42           HA       GLU  42 127.619  -1.984  -6.819
  305   1HB   GLU  42          HB2       GLU  42 125.149  -0.677  -5.733
  306   2HB   GLU  42          HB1       GLU  42 126.411  -1.253  -4.654
  307   1HG   GLU  42          HG2       GLU  42 128.027   0.196  -5.724
  308   2HG   GLU  42          HG1       GLU  42 126.812   0.729  -6.884
  309    H    CYS  43           HN       CYS  43 124.982  -3.753  -7.636
  310    HA   CYS  43           HA       CYS  43 124.608  -5.327  -5.290
  311   1HB   CYS  43          HB2       CYS  43 123.687  -5.438  -8.110
  312   2HB   CYS  43          HB1       CYS  43 123.657  -6.943  -7.203
  313    H    GLY  44           HN       GLY  44 126.150  -6.548  -4.469
  314   1HA   GLY  44          HA2       GLY  44 127.858  -8.061  -4.277
  315   2HA   GLY  44          HA1       GLY  44 127.126  -8.840  -5.667
  316    H    THR  45           HN       THR  45 128.288  -5.606  -6.102
  317    HA   THR  45           HA       THR  45 130.154  -6.479  -8.077
  318    HB   THR  45           HB       THR  45 130.500  -3.742  -7.128
  319    HG1  THR  45           HG1      THR  45 128.427  -3.699  -6.575
  320   1HG2  THR  45          HG21      THR  45 129.299  -3.846  -9.681
  321   2HG2  THR  45          HG22      THR  45 130.504  -5.131  -9.591
  322   3HG2  THR  45          HG23      THR  45 130.969  -3.462  -9.261
  323    H    ASN  46           HN       ASN  46 131.885  -7.597  -7.336
  324    HA   ASN  46           HA       ASN  46 133.248  -6.905  -4.912
  325   1HB   ASN  46          HB2       ASN  46 133.224  -9.214  -5.597
  326   2HB   ASN  46          HB1       ASN  46 133.920  -8.809  -7.161
  327   1HD2  ASN  46          HD21      ASN  46 134.631  -8.371  -3.711
  328   2HD2  ASN  46          HD22      ASN  46 136.313  -8.742  -3.835
  329    H    GLU  47           HN       GLU  47 133.422  -4.602  -5.733
  330    HA   GLU  47           HA       GLU  47 135.467  -4.073  -7.693
  331   1HB   GLU  47          HB2       GLU  47 134.081  -2.133  -5.842
  332   2HB   GLU  47          HB1       GLU  47 134.965  -1.742  -7.310
  333   1HG   GLU  47          HG2       GLU  47 133.255  -2.323  -8.660
  334   2HG   GLU  47          HG1       GLU  47 132.720  -3.628  -7.605
  335    H    CYS  48           HN       CYS  48 135.274  -4.242  -4.212
  336    HA   CYS  48           HA       CYS  48 137.489  -2.714  -3.514
  337   1HB   CYS  48          HB2       CYS  48 136.270  -5.143  -2.257
  338   2HB   CYS  48          HB1       CYS  48 137.626  -4.297  -1.532
  339    H    LEU  49           HN       LEU  49 137.471  -6.229  -3.335
  340    HA   LEU  49           HA       LEU  49 140.250  -6.559  -3.425
  341   1HB   LEU  49          HB2       LEU  49 138.198  -8.538  -4.417
  342   2HB   LEU  49          HB1       LEU  49 139.825  -8.896  -3.872
  343    HG   LEU  49           HG       LEU  49 137.644  -7.791  -2.103
  344   1HD1  LEU  49          HD11      LEU  49 137.602 -10.266  -3.130
  345   2HD1  LEU  49          HD12      LEU  49 137.035  -9.881  -1.506
  346   3HD1  LEU  49          HD13      LEU  49 138.654 -10.540  -1.741
  347   1HD2  LEU  49          HD21      LEU  49 140.005  -9.178  -1.008
  348   2HD2  LEU  49          HD22      LEU  49 139.125  -7.775  -0.400
  349   3HD2  LEU  49          HD23      LEU  49 140.295  -7.584  -1.707
  350    H    ASP  50           HN       ASP  50 138.124  -5.597  -5.831
  351    HA   ASP  50           HA       ASP  50 139.079  -6.751  -8.113
  352   1HB   ASP  50          HB2       ASP  50 137.064  -5.172  -7.679
  353   2HB   ASP  50          HB1       ASP  50 138.209  -3.900  -8.104
  354    H    ASN  51           HN       ASN  51 140.832  -4.624  -6.111
  355    HA   ASN  51           HA       ASN  51 142.738  -4.195  -8.296
  356   1HB   ASN  51          HB2       ASN  51 143.140  -1.865  -7.433
  357   2HB   ASN  51          HB1       ASN  51 141.558  -2.106  -8.150
  358   1HD2  ASN  51          HD21      ASN  51 142.943  -0.482  -5.830
  359   2HD2  ASN  51          HD22      ASN  51 141.710  -0.500  -4.620
  360    H    ASN  52           HN       ASN  52 143.764  -2.387  -5.760
  361    HA   ASN  52           HA       ASN  52 145.730  -4.332  -4.928
  362   1HB   ASN  52          HB2       ASN  52 146.609  -2.391  -3.617
  363   2HB   ASN  52          HB1       ASN  52 146.401  -2.017  -5.323
  364   1HD2  ASN  52          HD21      ASN  52 144.778  -1.775  -2.204
  365   2HD2  ASN  52          HD22      ASN  52 143.890  -0.348  -2.581
  366    H    GLY  53           HN       GLY  53 142.967  -2.619  -3.707
  367   1HA   GLY  53          HA2       GLY  53 142.354  -4.498  -1.679
  368   2HA   GLY  53          HA1       GLY  53 143.150  -3.099  -0.988
  369    H    GLY  54           HN       GLY  54 141.187  -2.744  -3.844
  370   1HA   GLY  54          HA2       GLY  54 139.089  -1.887  -4.190
  371   2HA   GLY  54          HA1       GLY  54 138.804  -1.973  -2.462
  372    H    CYS  55           HN       CYS  55 141.011  -0.578  -1.636
  373    HA   CYS  55           HA       CYS  55 140.725   2.105  -2.730
  374   1HB   CYS  55          HB2       CYS  55 140.204   1.191   0.092
  375   2HB   CYS  55          HB1       CYS  55 140.626   2.848  -0.280
  376    H    SER  56           HN       SER  56 142.385  -0.077  -0.463
  377    HA   SER  56           HA       SER  56 144.890   0.667  -1.434
  378   1HB   SER  56          HB2       SER  56 143.910   2.135   0.898
  379   2HB   SER  56          HB1       SER  56 145.486   1.385   1.144
  380    HG   SER  56           HG       SER  56 146.338   2.606  -0.412
  381    H    HIS  57           HN       HIS  57 143.725  -0.297   1.784
  382    HA   HIS  57           HA       HIS  57 145.452  -2.659   1.597
  383   1HB   HIS  57          HB2       HIS  57 144.110  -1.434   4.014
  384   2HB   HIS  57          HB1       HIS  57 145.276  -2.755   4.030
  385    HD1  HIS  57           HD1      HIS  57 146.320  -0.633   5.663
  386    HD2  HIS  57           HD2      HIS  57 146.613  -0.418   1.525
  387    HE1  HIS  57           HE1      HIS  57 148.151   1.034   5.203
  388    HE2  HIS  57           HE2      HIS  57 148.258   1.206   2.695
  389    H    VAL  58           HN       VAL  58 142.384  -2.022   3.282
  390    HA   VAL  58           HA       VAL  58 141.276  -4.387   1.963
  391    HB   VAL  58           HB       VAL  58 140.066  -4.653   4.348
  392   1HG1  VAL  58          HG11      VAL  58 141.508  -6.243   2.884
  393   2HG1  VAL  58          HG12      VAL  58 141.269  -6.604   4.594
  394   3HG1  VAL  58          HG13      VAL  58 142.777  -5.867   4.050
  395   1HG2  VAL  58          HG21      VAL  58 141.297  -2.868   5.435
  396   2HG2  VAL  58          HG22      VAL  58 142.828  -3.630   5.005
  397   3HG2  VAL  58          HG23      VAL  58 141.738  -4.422   6.142
  398    H    CYS  59           HN       CYS  59 139.586  -3.763   0.895
  399    HA   CYS  59           HA       CYS  59 137.930  -1.581   1.956
  400   1HB   CYS  59          HB2       CYS  59 138.715  -0.794  -0.053
  401   2HB   CYS  59          HB1       CYS  59 138.768  -2.371  -0.804
  402    H    ASN  60           HN       ASN  60 135.874  -1.930   2.445
  403    HA   ASN  60           HA       ASN  60 134.811  -4.627   2.131
  404   1HB   ASN  60          HB2       ASN  60 134.650  -2.673   4.150
  405   2HB   ASN  60          HB1       ASN  60 133.025  -2.802   3.486
  406   1HD2  ASN  60          HD21      ASN  60 133.145  -3.510   5.959
  407   2HD2  ASN  60          HD22      ASN  60 133.151  -5.223   6.175
  408    H    ASP  61           HN       ASP  61 133.744  -5.030   0.294
  409    HA   ASP  61           HA       ASP  61 132.353  -2.881  -1.076
  410   1HB   ASP  61          HB2       ASP  61 133.789  -5.013  -1.995
  411   2HB   ASP  61          HB1       ASP  61 132.138  -5.590  -2.193
  412    H    LEU  62           HN       LEU  62 130.391  -2.403  -0.448
  413    HA   LEU  62           HA       LEU  62 128.603  -4.517   0.515
  414   1HB   LEU  62          HB2       LEU  62 128.452  -1.516   0.691
  415   2HB   LEU  62          HB1       LEU  62 127.118  -2.554   1.136
  416    HG   LEU  62           HG       LEU  62 129.834  -2.440   2.442
  417   1HD1  LEU  62          HD11      LEU  62 127.311  -2.068   3.934
  418   2HD1  LEU  62          HD12      LEU  62 127.789  -0.768   2.844
  419   3HD1  LEU  62          HD13      LEU  62 128.877  -1.282   4.133
  420   1HD2  LEU  62          HD21      LEU  62 128.874  -4.093   4.036
  421   2HD2  LEU  62          HD22      LEU  62 129.148  -4.736   2.417
  422   3HD2  LEU  62          HD23      LEU  62 127.517  -4.304   2.928
  423    H    LYS  63           HN       LYS  63 126.446  -4.694  -0.285
  424    HA   LYS  63           HA       LYS  63 126.255  -4.739  -3.063
  425   1HB   LYS  63          HB2       LYS  63 123.955  -4.665  -1.107
  426   2HB   LYS  63          HB1       LYS  63 123.915  -5.287  -2.751
  427   1HG   LYS  63          HG2       LYS  63 124.344  -7.286  -1.895
  428   2HG   LYS  63          HG1       LYS  63 125.971  -6.701  -1.545
  429   1HD   LYS  63          HD2       LYS  63 125.030  -7.635   0.463
  430   2HD   LYS  63          HD1       LYS  63 125.148  -5.885   0.652
  431   1HE   LYS  63          HE2       LYS  63 122.900  -5.600   0.679
  432   2HE   LYS  63          HE1       LYS  63 122.610  -6.922  -0.450
  433   1HZ   LYS  63          HZ1       LYS  63 121.866  -7.213   1.959
  434   2HZ   LYS  63          HZ2       LYS  63 123.502  -7.450   2.316
  435   3HZ   LYS  63          HZ3       LYS  63 122.712  -8.491   1.242
  436    H    ILE  64           HN       ILE  64 125.751  -2.125  -0.880
  437    HA   ILE  64           HA       ILE  64 124.485  -0.569  -3.032
  438    HB   ILE  64           HB       ILE  64 123.104  -0.872  -0.991
  439   1HG1  ILE  64          HG12      ILE  64 123.495   1.990  -0.813
  440   2HG1  ILE  64          HG11      ILE  64 123.572   1.444  -2.486
  441   1HG2  ILE  64          HG21      ILE  64 124.039  -0.710   1.010
  442   2HG2  ILE  64          HG22      ILE  64 124.241   1.022   0.744
  443   3HG2  ILE  64          HG23      ILE  64 125.534  -0.095   0.306
  444   1HD1  ILE  64          HD11      ILE  64 121.302   2.128  -1.522
  445   2HD1  ILE  64          HD12      ILE  64 121.351   0.575  -0.687
  446   3HD1  ILE  64          HD13      ILE  64 121.403   0.631  -2.448
  447    H    GLY  65           HN       GLY  65 127.383  -1.008  -2.612
  448   1HA   GLY  65          HA2       GLY  65 128.764   0.932  -3.438
  449   2HA   GLY  65          HA1       GLY  65 128.192   1.764  -2.002
  450    H    TYR  66           HN       TYR  66 130.899   0.756  -3.042
  451    HA   TYR  66           HA       TYR  66 131.679  -1.013  -0.871
  452   1HB   TYR  66          HB2       TYR  66 133.799  -1.220  -2.023
  453   2HB   TYR  66          HB1       TYR  66 132.488  -1.439  -3.175
  454    HD1  TYR  66           HD1      TYR  66 134.776   1.212  -1.874
  455    HD2  TYR  66           HD2      TYR  66 132.544  -0.274  -5.177
  456    HE1  TYR  66           HE1      TYR  66 135.756   2.950  -3.310
  457    HE2  TYR  66           HE2      TYR  66 133.517   1.461  -6.622
  458    HH   TYR  66           HH       TYR  66 135.842   2.877  -6.488
  459    H    GLU  67           HN       GLU  67 133.107  -0.508   0.744
  460    HA   GLU  67           HA       GLU  67 133.901   2.320   0.958
  461   1HB   GLU  67          HB2       GLU  67 133.763   1.245   3.568
  462   2HB   GLU  67          HB1       GLU  67 132.767   2.507   2.866
  463   1HG   GLU  67          HG2       GLU  67 132.175  -0.437   2.675
  464   2HG   GLU  67          HG1       GLU  67 131.490   0.644   3.887
  465    H    CYS  68           HN       CYS  68 135.806   2.690   2.313
  466    HA   CYS  68           HA       CYS  68 137.740   0.533   1.907
  467   1HB   CYS  68          HB2       CYS  68 138.536   3.266   2.822
  468   2HB   CYS  68          HB1       CYS  68 139.395   2.142   1.774
  469    H    LEU  69           HN       LEU  69 138.849  -0.422   3.528
  470    HA   LEU  69           HA       LEU  69 138.184   0.415   6.274
  471   1HB   LEU  69          HB2       LEU  69 138.983  -2.383   5.552
  472   2HB   LEU  69          HB1       LEU  69 138.121  -1.820   6.966
  473    HG   LEU  69           HG       LEU  69 137.022  -2.030   4.164
  474   1HD1  LEU  69          HD11      LEU  69 137.056  -3.793   6.480
  475   2HD1  LEU  69          HD12      LEU  69 136.659  -4.137   4.796
  476   3HD1  LEU  69          HD13      LEU  69 135.430  -3.477   5.875
  477   1HD2  LEU  69          HD21      LEU  69 135.187  -0.863   4.760
  478   2HD2  LEU  69          HD22      LEU  69 136.279  -0.130   5.936
  479   3HD2  LEU  69          HD23      LEU  69 135.221  -1.455   6.421
  480    H    CYS  70           HN       CYS  70 139.849  -0.231   7.907
  481    HA   CYS  70           HA       CYS  70 142.536  -0.668   6.991
  482   1HB   CYS  70          HB2       CYS  70 141.863   1.888   6.757
  483   2HB   CYS  70          HB1       CYS  70 142.213   1.899   8.482
  484    HA   PRO  71           HA       PRO  71 142.846  -2.727  10.902
  485   1HB   PRO  71          HB2       PRO  71 145.483  -1.779  11.426
  486   2HB   PRO  71          HB1       PRO  71 145.013  -3.344  10.762
  487   1HG   PRO  71          HG2       PRO  71 145.933  -0.898   9.365
  488   2HG   PRO  71          HG1       PRO  71 146.105  -2.598   8.895
  489   1HD   PRO  71          HD2       PRO  71 144.374  -0.976   7.653
  490   2HD   PRO  71          HD1       PRO  71 143.980  -2.681   7.960
  491    H    ASP  72           HN       ASP  72 143.159  -2.262  13.180
  492    HA   ASP  72           HA       ASP  72 141.946   0.096  14.014
  493   1HB   ASP  72          HB2       ASP  72 143.398  -2.120  15.360
  494   2HB   ASP  72          HB1       ASP  72 143.163  -0.638  16.283
  495    H    GLY  73           HN       GLY  73 142.693   1.934  15.066
  496   1HA   GLY  73          HA2       GLY  73 144.126   3.667  15.545
  497   2HA   GLY  73          HA1       GLY  73 145.430   2.491  15.548
  498    H    PHE  74           HN       PHE  74 143.535   2.694  12.673
  499    HA   PHE  74           HA       PHE  74 145.591   4.388  11.420
  500   1HB   PHE  74          HB2       PHE  74 144.445   1.805  10.361
  501   2HB   PHE  74          HB1       PHE  74 145.336   2.945   9.364
  502    HD1  PHE  74           HD1      PHE  74 145.559   0.278  11.765
  503    HD2  PHE  74           HD2      PHE  74 147.724   3.432   9.902
  504    HE1  PHE  74           HE1      PHE  74 147.675  -0.775  12.452
  505    HE2  PHE  74           HE2      PHE  74 149.843   2.386  10.584
  506    HZ   PHE  74           HZ       PHE  74 149.822   0.279  11.861
  507    H    GLN  75           HN       GLN  75 144.918   5.774   9.837
  508    HA   GLN  75           HA       GLN  75 142.003   6.026   9.518
  509   1HB   GLN  75          HB2       GLN  75 144.206   8.007   9.772
  510   2HB   GLN  75          HB1       GLN  75 142.870   8.425   8.710
  511   1HG   GLN  75          HG2       GLN  75 141.320   7.958  10.614
  512   2HG   GLN  75          HG1       GLN  75 142.741   7.788  11.644
  513   1HE2  GLN  75          HE21      GLN  75 143.722   9.568  12.413
  514   2HE2  GLN  75          HE22      GLN  75 143.230  11.187  12.064
  515    H    LEU  76           HN       LEU  76 141.284   6.916   7.403
  516    HA   LEU  76           HA       LEU  76 142.935   5.805   5.242
  517   1HB   LEU  76          HB2       LEU  76 140.805   4.679   5.491
  518   2HB   LEU  76          HB1       LEU  76 139.953   6.210   5.419
  519    HG   LEU  76           HG       LEU  76 141.328   6.212   3.043
  520   1HD1  LEU  76          HD11      LEU  76 142.124   4.012   3.106
  521   2HD1  LEU  76          HD12      LEU  76 140.682   3.931   2.095
  522   3HD1  LEU  76          HD13      LEU  76 140.615   3.390   3.771
  523   1HD2  LEU  76          HD21      LEU  76 138.548   5.518   3.864
  524   2HD2  LEU  76          HD22      LEU  76 139.019   5.319   2.177
  525   3HD2  LEU  76          HD23      LEU  76 139.142   6.902   2.945
  526    H    VAL  77           HN       VAL  77 144.018   7.355   4.133
  527    HA   VAL  77           HA       VAL  77 142.860  10.006   3.940
  528    HB   VAL  77           HB       VAL  77 145.048  10.736   3.139
  529   1HG1  VAL  77          HG11      VAL  77 144.890   9.179   5.693
  530   2HG1  VAL  77          HG12      VAL  77 144.856  10.925   5.450
  531   3HG1  VAL  77          HG13      VAL  77 146.362  10.035   5.238
  532   1HG2  VAL  77          HG21      VAL  77 146.948   9.157   3.173
  533   2HG2  VAL  77          HG22      VAL  77 145.749   8.761   1.942
  534   3HG2  VAL  77          HG23      VAL  77 145.813   7.834   3.441
  535    H    ALA  78           HN       ALA  78 142.418  11.054   2.073
  536    HA   ALA  78           HA       ALA  78 142.003  11.410  -0.147
  537   1HB   ALA  78          HB1       ALA  78 144.281  10.225  -0.388
  538   2HB   ALA  78          HB2       ALA  78 143.227  10.336  -1.798
  539   3HB   ALA  78          HB3       ALA  78 143.325   8.830  -0.887
  540    H    GLN  79           HN       GLN  79 140.522   9.409   1.735
  541    HA   GLN  79           HA       GLN  79 138.514   8.352   1.645
  542   1HB   GLN  79          HB2       GLN  79 138.402   8.933  -1.308
  543   2HB   GLN  79          HB1       GLN  79 137.061   8.661  -0.204
  544   1HG   GLN  79          HG2       GLN  79 138.198  10.816   0.944
  545   2HG   GLN  79          HG1       GLN  79 138.605  11.102  -0.747
  546   1HE2  GLN  79          HE21      GLN  79 136.352   9.952  -1.931
  547   2HE2  GLN  79          HE22      GLN  79 134.978  10.933  -1.565
  548    H    ARG  80           HN       ARG  80 141.251   7.211   0.475
  549    HA   ARG  80           HA       ARG  80 140.155   4.574   0.108
  550   1HB   ARG  80          HB2       ARG  80 141.561   5.980  -2.144
  551   2HB   ARG  80          HB1       ARG  80 141.515   4.232  -2.029
  552   1HG   ARG  80          HG2       ARG  80 138.891   4.830  -1.741
  553   2HG   ARG  80          HG1       ARG  80 139.423   6.127  -2.813
  554   1HD   ARG  80          HD2       ARG  80 140.612   3.762  -3.772
  555   2HD   ARG  80          HD1       ARG  80 138.934   3.361  -3.408
  556    HE   ARG  80           HE       ARG  80 139.178   5.799  -4.878
  557   1HH1  ARG  80          HH11      ARG  80 139.124   2.322  -5.178
  558   2HH1  ARG  80          HH12      ARG  80 138.572   2.347  -6.819
  559   1HH2  ARG  80          HH21      ARG  80 138.452   5.834  -7.037
  560   2HH2  ARG  80          HH22      ARG  80 138.191   4.340  -7.874
  561    H    ARG  81           HN       ARG  81 142.968   6.667   0.362
  562    HA   ARG  81           HA       ARG  81 144.756   4.443   0.742
  563   1HB   ARG  81          HB2       ARG  81 145.026   7.231   0.190
  564   2HB   ARG  81          HB1       ARG  81 146.001   6.822   1.593
  565   1HG   ARG  81          HG2       ARG  81 146.190   5.020  -0.741
  566   2HG   ARG  81          HG1       ARG  81 146.903   6.626  -0.900
  567   1HD   ARG  81          HD2       ARG  81 147.514   4.589   1.240
  568   2HD   ARG  81          HD1       ARG  81 148.562   5.047  -0.103
  569    HE   ARG  81           HE       ARG  81 148.209   6.451   2.365
  570   1HH1  ARG  81          HH11      ARG  81 148.999   6.832  -1.013
  571   2HH1  ARG  81          HH12      ARG  81 149.902   8.289  -0.766
  572   1HH2  ARG  81          HH21      ARG  81 149.398   8.365   2.692
  573   2HH2  ARG  81          HH22      ARG  81 150.130   9.159   1.337
  574    H    CYS  82           HN       CYS  82 146.135   4.243   2.645
  575    HA   CYS  82           HA       CYS  82 144.558   4.707   5.079
  576   1HB   CYS  82          HB2       CYS  82 146.323   2.506   4.171
  577   2HB   CYS  82          HB1       CYS  82 146.326   2.873   5.890
  578    H    GLU  83           HN       GLU  83 145.248   6.566   5.975
  579    HA   GLU  83           HA       GLU  83 147.795   6.665   7.202
  580   1HB   GLU  83          HB2       GLU  83 147.598   7.782   4.541
  581   2HB   GLU  83          HB1       GLU  83 148.007   9.030   5.710
  582   1HG   GLU  83          HG2       GLU  83 149.744   7.211   6.509
  583   2HG   GLU  83          HG1       GLU  83 149.552   6.650   4.850
  Start of MODEL   15
    1   1H    GLY   1           HT1      GLY   1 120.975  10.342   2.490
    2   2H    GLY   1           HT2      GLY   1 121.976   9.913   1.196
    3   3H    GLY   1           HT3      GLY   1 120.367  10.355   0.911
    4   1HA   GLY   1          HA1       GLY   1 122.696  12.027   1.433
    5   2HA   GLY   1          HA2       GLY   1 121.329  12.316   0.369
    6    H    ASN   2           HN       ASN   2 119.538  13.385   1.132
    7    HA   ASN   2           HA       ASN   2 119.910  14.743   3.692
    8   1HB   ASN   2          HB2       ASN   2 119.231  15.768   1.297
    9   2HB   ASN   2          HB1       ASN   2 117.623  15.447   1.938
   10   1HD2  ASN   2          HD21      ASN   2 120.093  17.646   1.783
   11   2HD2  ASN   2          HD22      ASN   2 119.644  18.660   3.107
   12    H    VAL   3           HN       VAL   3 118.736  14.292   5.440
   13    HA   VAL   3           HA       VAL   3 116.733  12.205   5.292
   14    HB   VAL   3           HB       VAL   3 116.651  12.504   7.799
   15   1HG1  VAL   3          HG11      VAL   3 118.280  11.023   6.303
   16   2HG1  VAL   3          HG12      VAL   3 118.381  11.054   8.064
   17   3HG1  VAL   3          HG13      VAL   3 119.491  12.027   7.101
   18   1HG2  VAL   3          HG21      VAL   3 119.101  14.205   7.403
   19   2HG2  VAL   3          HG22      VAL   3 118.243  13.860   8.904
   20   3HG2  VAL   3          HG23      VAL   3 117.498  14.887   7.679
   21    H    THR   4           HN       THR   4 114.589  12.470   5.369
   22    HA   THR   4           HA       THR   4 113.528  15.104   6.143
   23    HB   THR   4           HB       THR   4 111.711  14.420   4.312
   24    HG1  THR   4           HG1      THR   4 114.121  13.307   3.317
   25   1HG2  THR   4          HG21      THR   4 114.345  15.747   3.746
   26   2HG2  THR   4          HG22      THR   4 112.810  16.514   4.153
   27   3HG2  THR   4          HG23      THR   4 113.004  15.699   2.602
   28    H    LEU   5           HN       LEU   5 112.669  14.575   8.083
   29    HA   LEU   5           HA       LEU   5 111.251  13.678   9.617
   30   1HB   LEU   5          HB2       LEU   5 109.777  13.054   7.070
   31   2HB   LEU   5          HB1       LEU   5 109.133  12.614   8.640
   32    HG   LEU   5           HG       LEU   5 108.160  14.703   7.834
   33   1HD1  LEU   5          HD11      LEU   5 110.021  15.242  10.140
   34   2HD1  LEU   5          HD12      LEU   5 108.531  14.306  10.265
   35   3HD1  LEU   5          HD13      LEU   5 108.467  16.010   9.812
   36   1HD2  LEU   5          HD21      LEU   5 110.229  15.350   6.524
   37   2HD2  LEU   5          HD22      LEU   5 110.894  15.935   8.049
   38   3HD2  LEU   5          HD23      LEU   5 109.419  16.650   7.397
   39    H    CYS   6           HN       CYS   6 113.477  12.089   8.627
   40    HA   CYS   6           HA       CYS   6 112.409   9.394   9.163
   41   1HB   CYS   6          HB2       CYS   6 113.530  10.027   6.839
   42   2HB   CYS   6          HB1       CYS   6 115.011   9.732   7.744
   43    H    GLU   7           HN       GLU   7 113.017   8.603  11.056
   44    HA   GLU   7           HA       GLU   7 115.602   9.466  12.180
   45   1HB   GLU   7          HB2       GLU   7 114.617   9.267  14.414
   46   2HB   GLU   7          HB1       GLU   7 113.739  10.435  13.436
   47   1HG   GLU   7          HG2       GLU   7 112.347   8.156  12.933
   48   2HG   GLU   7          HG1       GLU   7 112.850   7.907  14.604
   49    H    GLY   8           HN       GLY   8 116.978   7.912  12.837
   50   1HA   GLY   8          HA2       GLY   8 116.759   5.554  13.981
   51   2HA   GLY   8          HA1       GLY   8 116.157   5.140  12.384
   52    HA   PRO   9           HA       PRO   9 121.046   5.811  12.699
   53   1HB   PRO   9          HB2       PRO   9 121.196   3.178  14.061
   54   2HB   PRO   9          HB1       PRO   9 122.161   4.636  14.318
   55   1HG   PRO   9          HG2       PRO   9 120.291   3.904  16.074
   56   2HG   PRO   9          HG1       PRO   9 120.563   5.613  15.683
   57   1HD   PRO   9          HD2       PRO   9 118.388   3.778  14.763
   58   2HD   PRO   9          HD1       PRO   9 118.304   5.496  15.206
   59    H    ASN  10           HN       ASN  10 119.357   2.675  12.557
   60    HA   ASN  10           HA       ASN  10 120.867   2.012  10.133
   61   1HB   ASN  10          HB2       ASN  10 119.919  -0.291  10.503
   62   2HB   ASN  10          HB1       ASN  10 120.981   0.283  11.785
   63   1HD2  ASN  10          HD21      ASN  10 117.974  -1.002  11.039
   64   2HD2  ASN  10          HD22      ASN  10 117.217  -0.793  12.578
   65    H    LYS  11           HN       LYS  11 119.121   3.930   9.557
   66    HA   LYS  11           HA       LYS  11 116.729   2.608   8.481
   67   1HB   LYS  11          HB2       LYS  11 117.199   5.177   9.668
   68   2HB   LYS  11          HB1       LYS  11 116.601   5.401   8.030
   69   1HG   LYS  11          HG2       LYS  11 114.793   5.370   9.670
   70   2HG   LYS  11          HG1       LYS  11 114.660   4.036   8.522
   71   1HD   LYS  11          HD2       LYS  11 115.215   2.449  10.098
   72   2HD   LYS  11          HD1       LYS  11 116.103   3.600  11.097
   73   1HE   LYS  11          HE2       LYS  11 114.257   4.245  12.223
   74   2HE   LYS  11          HE1       LYS  11 113.227   4.145  10.795
   75   1HZ   LYS  11          HZ1       LYS  11 113.026   2.455  12.797
   76   2HZ   LYS  11          HZ2       LYS  11 114.211   1.634  11.913
   77   3HZ   LYS  11          HZ3       LYS  11 112.719   1.988  11.199
   78    H    PHE  12           HN       PHE  12 115.994   3.385   6.320
   79    HA   PHE  12           HA       PHE  12 118.187   4.147   4.536
   80   1HB   PHE  12          HB2       PHE  12 117.909   1.621   4.601
   81   2HB   PHE  12          HB1       PHE  12 116.328   1.866   3.865
   82    HD1  PHE  12           HD1      PHE  12 116.169   2.867   1.599
   83    HD2  PHE  12           HD2      PHE  12 119.893   1.739   3.325
   84    HE1  PHE  12           HE1      PHE  12 117.213   2.920  -0.628
   85    HE2  PHE  12           HE2      PHE  12 120.943   1.791   1.101
   86    HZ   PHE  12           HZ       PHE  12 119.602   2.382  -0.879
   87    H    LYS  13           HN       LYS  13 117.575   5.366   2.782
   88    HA   LYS  13           HA       LYS  13 114.696   5.949   2.543
   89   1HB   LYS  13          HB2       LYS  13 115.436   8.271   1.840
   90   2HB   LYS  13          HB1       LYS  13 115.641   7.878   3.541
   91   1HG   LYS  13          HG2       LYS  13 117.917   7.872   3.411
   92   2HG   LYS  13          HG1       LYS  13 117.930   7.397   1.711
   93   1HD   LYS  13          HD2       LYS  13 117.116  10.111   2.750
   94   2HD   LYS  13          HD1       LYS  13 118.693   9.720   2.060
   95   1HE   LYS  13          HE2       LYS  13 117.328   8.903   0.019
   96   2HE   LYS  13          HE1       LYS  13 116.022   9.863   0.714
   97   1HZ   LYS  13          HZ1       LYS  13 118.694  10.838  -0.135
   98   2HZ   LYS  13          HZ2       LYS  13 117.564  11.782   0.697
   99   3HZ   LYS  13          HZ3       LYS  13 117.203  11.199  -0.848
  100    H    CYS  14           HN       CYS  14 113.962   5.217   0.666
  101    HA   CYS  14           HA       CYS  14 115.602   4.498  -1.513
  102   1HB   CYS  14          HB2       CYS  14 112.645   5.077  -1.669
  103   2HB   CYS  14          HB1       CYS  14 113.585   3.983  -2.679
  104    H    HIS  15           HN       HIS  15 114.447   5.423  -3.792
  105    HA   HIS  15           HA       HIS  15 115.567   8.071  -3.969
  106   1HB   HIS  15          HB2       HIS  15 115.168   5.932  -5.749
  107   2HB   HIS  15          HB1       HIS  15 114.162   7.242  -6.356
  108    HD1  HIS  15           HD1      HIS  15 117.452   7.880  -4.658
  109    HD2  HIS  15           HD2      HIS  15 115.834   7.847  -8.485
  110    HE1  HIS  15           HE1      HIS  15 119.204   8.913  -6.137
  111    HE2  HIS  15           HE2      HIS  15 118.235   8.806  -8.461
  112    H    SER  16           HN       SER  16 112.388   6.629  -3.887
  113    HA   SER  16           HA       SER  16 111.060   9.096  -4.623
  114   1HB   SER  16          HB2       SER  16 109.701   6.650  -3.509
  115   2HB   SER  16          HB1       SER  16 109.050   7.868  -4.607
  116    HG   SER  16           HG       SER  16 110.859   5.777  -5.143
  117    H    GLY  17           HN       GLY  17 112.429   7.906  -1.816
  118   1HA   GLY  17          HA2       GLY  17 112.470   9.106   0.212
  119   2HA   GLY  17          HA1       GLY  17 110.947   9.862  -0.229
  120    H    GLU  18           HN       GLU  18 112.203   6.582   0.398
  121    HA   GLU  18           HA       GLU  18 109.830   6.119   2.083
  122   1HB   GLU  18          HB2       GLU  18 110.911   4.551  -0.157
  123   2HB   GLU  18          HB1       GLU  18 110.560   3.602   1.282
  124   1HG   GLU  18          HG2       GLU  18 108.639   5.363  -0.222
  125   2HG   GLU  18          HG1       GLU  18 108.659   3.600  -0.194
  126    H    CYS  19           HN       CYS  19 110.333   5.774   4.135
  127    HA   CYS  19           HA       CYS  19 113.066   5.194   4.893
  128   1HB   CYS  19          HB2       CYS  19 110.575   5.772   6.499
  129   2HB   CYS  19          HB1       CYS  19 112.134   5.411   7.232
  130    H    ILE  20           HN       ILE  20 113.771   3.153   4.918
  131    HA   ILE  20           HA       ILE  20 112.096   1.102   6.156
  132    HB   ILE  20           HB       ILE  20 112.989  -0.509   4.368
  133   1HG1  ILE  20          HG12      ILE  20 113.367   2.134   2.943
  134   2HG1  ILE  20          HG11      ILE  20 114.622   0.963   3.333
  135   1HG2  ILE  20          HG21      ILE  20 111.130   0.096   2.801
  136   2HG2  ILE  20          HG22      ILE  20 110.887   1.557   3.759
  137   3HG2  ILE  20          HG23      ILE  20 110.662  -0.028   4.496
  138   1HD1  ILE  20          HD11      ILE  20 114.308   0.356   1.194
  139   2HD1  ILE  20          HD12      ILE  20 112.660   0.982   1.144
  140   3HD1  ILE  20          HD13      ILE  20 112.984  -0.587   1.881
  141    H    THR  21           HN       THR  21 113.549  -0.998   6.338
  142    HA   THR  21           HA       THR  21 115.819  -0.228   7.890
  143    HB   THR  21           HB       THR  21 114.825  -2.952   7.042
  144    HG1  THR  21           HG1      THR  21 113.374  -2.495   8.476
  145   1HG2  THR  21          HG21      THR  21 116.887  -3.573   7.735
  146   2HG2  THR  21          HG22      THR  21 116.093  -3.480   9.307
  147   3HG2  THR  21          HG23      THR  21 117.100  -2.145   8.747
  148    H    LEU  22           HN       LEU  22 117.979  -0.536   7.465
  149    HA   LEU  22           HA       LEU  22 118.742  -0.503   4.703
  150   1HB   LEU  22          HB2       LEU  22 120.999  -0.202   5.528
  151   2HB   LEU  22          HB1       LEU  22 119.898   0.852   6.399
  152    HG   LEU  22           HG       LEU  22 119.868  -1.071   8.160
  153   1HD1  LEU  22          HD11      LEU  22 121.979  -1.898   6.310
  154   2HD1  LEU  22          HD12      LEU  22 121.107  -2.828   7.529
  155   3HD1  LEU  22          HD13      LEU  22 122.488  -1.837   7.998
  156   1HD2  LEU  22          HD21      LEU  22 122.388   0.551   7.914
  157   2HD2  LEU  22          HD22      LEU  22 121.546   0.052   9.380
  158   3HD2  LEU  22          HD23      LEU  22 120.832   1.271   8.325
  159    H    ASP  23           HN       ASP  23 118.699  -2.894   7.259
  160    HA   ASP  23           HA       ASP  23 120.519  -4.738   6.452
  161   1HB   ASP  23          HB2       ASP  23 117.703  -5.337   7.337
  162   2HB   ASP  23          HB1       ASP  23 119.033  -6.485   7.339
  163    H    LYS  24           HN       LYS  24 117.075  -4.866   5.399
  164    HA   LYS  24           HA       LYS  24 117.511  -6.834   3.518
  165   1HB   LYS  24          HB2       LYS  24 115.313  -6.063   2.590
  166   2HB   LYS  24          HB1       LYS  24 115.308  -6.410   4.311
  167   1HG   LYS  24          HG2       LYS  24 114.285  -4.435   4.494
  168   2HG   LYS  24          HG1       LYS  24 115.898  -3.752   4.282
  169   1HD   LYS  24          HD2       LYS  24 115.129  -4.170   1.700
  170   2HD   LYS  24          HD1       LYS  24 113.595  -3.754   2.467
  171   1HE   LYS  24          HE2       LYS  24 114.599  -1.739   1.658
  172   2HE   LYS  24          HE1       LYS  24 114.693  -1.734   3.419
  173   1HZ   LYS  24          HZ1       LYS  24 116.846  -2.071   1.445
  174   2HZ   LYS  24          HZ2       LYS  24 117.018  -2.762   2.979
  175   3HZ   LYS  24          HZ3       LYS  24 116.800  -1.091   2.824
  176    H    VAL  25           HN       VAL  25 119.113  -4.092   3.349
  177    HA   VAL  25           HA       VAL  25 118.553  -2.932   0.877
  178    HB   VAL  25           HB       VAL  25 120.925  -2.996   2.670
  179   1HG1  VAL  25          HG11      VAL  25 121.062  -2.359  -0.238
  180   2HG1  VAL  25          HG12      VAL  25 122.208  -3.232   0.780
  181   3HG1  VAL  25          HG13      VAL  25 122.067  -1.479   0.914
  182   1HG2  VAL  25          HG21      VAL  25 120.463  -0.791   2.994
  183   2HG2  VAL  25          HG22      VAL  25 118.856  -1.348   2.530
  184   3HG2  VAL  25          HG23      VAL  25 119.892  -0.554   1.343
  185    H    CYS  26           HN       CYS  26 118.959  -3.493  -1.152
  186    HA   CYS  26           HA       CYS  26 119.593  -4.703  -2.969
  187   1HB   CYS  26          HB2       CYS  26 121.872  -4.098  -2.106
  188   2HB   CYS  26          HB1       CYS  26 121.909  -5.649  -1.274
  189    H    ASN  27           HN       ASN  27 117.825  -5.893  -0.942
  190    HA   ASN  27           HA       ASN  27 118.401  -8.601  -0.518
  191   1HB   ASN  27          HB2       ASN  27 116.014  -8.869  -0.066
  192   2HB   ASN  27          HB1       ASN  27 116.623  -7.401   0.691
  193   1HD2  ASN  27          HD21      ASN  27 113.959  -8.423  -0.464
  194   2HD2  ASN  27          HD22      ASN  27 113.388  -7.074  -1.379
  195    H    MET  28           HN       MET  28 116.505 -10.203  -1.513
  196    HA   MET  28           HA       MET  28 117.264 -10.390  -4.303
  197   1HB   MET  28          HB2       MET  28 116.231 -12.575  -4.251
  198   2HB   MET  28          HB1       MET  28 117.242 -12.387  -2.825
  199   1HG   MET  28          HG2       MET  28 115.238 -11.858  -1.502
  200   2HG   MET  28          HG1       MET  28 114.246 -12.126  -2.934
  201   1HE   MET  28          HE1       MET  28 113.569 -13.344  -0.406
  202   2HE   MET  28          HE2       MET  28 115.053 -13.955   0.325
  203   3HE   MET  28          HE3       MET  28 113.823 -15.082  -0.246
  204    H    ALA  29           HN       ALA  29 114.550  -9.434  -2.390
  205    HA   ALA  29           HA       ALA  29 112.818  -9.305  -4.758
  206   1HB   ALA  29          HB1       ALA  29 112.230  -9.262  -1.813
  207   2HB   ALA  29          HB2       ALA  29 111.702 -10.429  -3.025
  208   3HB   ALA  29          HB3       ALA  29 111.028  -8.799  -3.017
  209    H    ARG  30           HN       ARG  30 111.292  -7.357  -4.742
  210    HA   ARG  30           HA       ARG  30 112.820  -5.013  -5.036
  211   1HB   ARG  30          HB2       ARG  30 109.985  -5.770  -5.285
  212   2HB   ARG  30          HB1       ARG  30 110.263  -4.077  -4.902
  213   1HG   ARG  30          HG2       ARG  30 111.969  -4.205  -6.868
  214   2HG   ARG  30          HG1       ARG  30 111.022  -5.619  -7.335
  215   1HD   ARG  30          HD2       ARG  30 110.061  -2.784  -6.996
  216   2HD   ARG  30          HD1       ARG  30 110.121  -3.730  -8.482
  217    HE   ARG  30           HE       ARG  30 108.471  -4.898  -6.441
  218   1HH1  ARG  30          HH11      ARG  30 108.567  -2.617  -9.080
  219   2HH1  ARG  30          HH12      ARG  30 106.862  -2.698  -9.375
  220   1HH2  ARG  30          HH21      ARG  30 106.230  -5.006  -6.827
  221   2HH2  ARG  30          HH22      ARG  30 105.536  -4.053  -8.096
  222    H    ASP  31           HN       ASP  31 113.066  -3.208  -3.792
  223    HA   ASP  31           HA       ASP  31 112.116  -3.404  -1.010
  224   1HB   ASP  31          HB2       ASP  31 114.078  -1.660  -0.711
  225   2HB   ASP  31          HB1       ASP  31 114.414  -3.385  -0.758
  226    H    CYS  32           HN       CYS  32 112.481  -1.300  -3.795
  227    HA   CYS  32           HA       CYS  32 110.481   0.497  -2.645
  228   1HB   CYS  32          HB2       CYS  32 112.894   1.662  -4.012
  229   2HB   CYS  32          HB1       CYS  32 111.717   2.468  -2.981
  230    H    ARG  33           HN       ARG  33 110.471   2.416  -4.636
  231    HA   ARG  33           HA       ARG  33 109.434   0.851  -6.880
  232   1HB   ARG  33          HB2       ARG  33 108.342   2.948  -5.519
  233   2HB   ARG  33          HB1       ARG  33 109.059   3.774  -6.895
  234   1HG   ARG  33          HG2       ARG  33 106.795   3.250  -7.425
  235   2HG   ARG  33          HG1       ARG  33 107.841   2.213  -8.395
  236   1HD   ARG  33          HD2       ARG  33 106.262   0.712  -7.647
  237   2HD   ARG  33          HD1       ARG  33 107.528   0.528  -6.434
  238    HE   ARG  33           HE       ARG  33 104.907   1.730  -6.068
  239   1HH1  ARG  33          HH11      ARG  33 108.086   1.143  -4.738
  240   2HH1  ARG  33          HH12      ARG  33 107.590   1.440  -3.107
  241   1HH2  ARG  33          HH21      ARG  33 104.263   2.122  -3.922
  242   2HH2  ARG  33          HH22      ARG  33 105.423   1.996  -2.643
  243    H    ASP  34           HN       ASP  34 111.762   3.380  -6.127
  244    HA   ASP  34           HA       ASP  34 112.520   3.726  -8.894
  245   1HB   ASP  34          HB2       ASP  34 113.258   4.976  -6.300
  246   2HB   ASP  34          HB1       ASP  34 114.449   5.047  -7.596
  247    H    TRP  35           HN       TRP  35 113.262   1.497  -6.490
  248    HA   TRP  35           HA       TRP  35 114.803  -0.161  -6.311
  249   1HB   TRP  35          HB2       TRP  35 115.155   0.600  -9.201
  250   2HB   TRP  35          HB1       TRP  35 116.140  -0.656  -8.460
  251    HD1  TRP  35           HD1      TRP  35 112.335   0.108  -8.725
  252    HE1  TRP  35           HE1      TRP  35 111.114  -2.120  -9.138
  253    HE3  TRP  35           HE3      TRP  35 116.353  -3.048  -8.617
  254    HZ2  TRP  35           HZ2      TRP  35 111.770  -4.855  -9.383
  255    HZ3  TRP  35           HZ3      TRP  35 115.971  -5.456  -8.947
  256    HH2  TRP  35           HH2      TRP  35 113.726  -6.340  -9.322
  257    H    SER  36           HN       SER  36 115.504   2.756  -5.841
  258    HA   SER  36           HA       SER  36 118.218   3.158  -6.485
  259   1HB   SER  36          HB2       SER  36 118.119   4.805  -4.529
  260   2HB   SER  36          HB1       SER  36 116.975   5.075  -5.843
  261    HG   SER  36           HG       SER  36 116.520   4.118  -3.247
  262    H    ASP  37           HN       ASP  37 116.622   1.408  -3.937
  263    HA   ASP  37           HA       ASP  37 118.932   1.147  -2.266
  264   1HB   ASP  37          HB2       ASP  37 116.706   1.032  -1.298
  265   2HB   ASP  37          HB1       ASP  37 116.319  -0.362  -2.294
  266    H    GLU  38           HN       GLU  38 117.615  -0.579  -4.972
  267    HA   GLU  38           HA       GLU  38 119.528  -2.768  -4.548
  268   1HB   GLU  38          HB2       GLU  38 117.062  -2.582  -6.277
  269   2HB   GLU  38          HB1       GLU  38 118.188  -3.931  -6.338
  270   1HG   GLU  38          HG2       GLU  38 117.596  -3.663  -3.648
  271   2HG   GLU  38          HG1       GLU  38 116.061  -3.374  -4.466
  272    HA   PRO  39           HA       PRO  39 121.319  -0.306  -8.082
  273   1HB   PRO  39          HB2       PRO  39 123.780   0.053  -7.082
  274   2HB   PRO  39          HB1       PRO  39 122.440   1.112  -6.629
  275   1HG   PRO  39          HG2       PRO  39 123.597  -1.217  -5.137
  276   2HG   PRO  39          HG1       PRO  39 123.146   0.387  -4.526
  277   1HD   PRO  39          HD2       PRO  39 121.546  -1.801  -4.269
  278   2HD   PRO  39          HD1       PRO  39 120.917  -0.148  -4.409
  279    H    ILE  40           HN       ILE  40 121.222  -2.189  -9.346
  280    HA   ILE  40           HA       ILE  40 122.527  -4.579  -8.974
  281    HB   ILE  40           HB       ILE  40 122.106  -3.242 -11.649
  282   1HG1  ILE  40          HG12      ILE  40 120.264  -4.995 -10.008
  283   2HG1  ILE  40          HG11      ILE  40 120.025  -3.290 -10.377
  284   1HG2  ILE  40          HG21      ILE  40 123.576  -5.173 -11.777
  285   2HG2  ILE  40          HG22      ILE  40 122.015  -5.537 -12.514
  286   3HG2  ILE  40          HG23      ILE  40 122.394  -6.150 -10.905
  287   1HD1  ILE  40          HD11      ILE  40 118.655  -4.865 -11.733
  288   2HD1  ILE  40          HD12      ILE  40 120.150  -5.445 -12.467
  289   3HD1  ILE  40          HD13      ILE  40 119.659  -3.764 -12.677
  290    H    LYS  41           HN       LYS  41 123.810  -1.656 -10.547
  291    HA   LYS  41           HA       LYS  41 126.289  -2.837 -11.264
  292   1HB   LYS  41          HB2       LYS  41 125.032  -0.560 -11.975
  293   2HB   LYS  41          HB1       LYS  41 126.182   0.087 -10.812
  294   1HG   LYS  41          HG2       LYS  41 127.402   0.254 -12.730
  295   2HG   LYS  41          HG1       LYS  41 127.894  -1.353 -12.189
  296   1HD   LYS  41          HD2       LYS  41 126.241  -2.366 -13.673
  297   2HD   LYS  41          HD1       LYS  41 125.721  -0.764 -14.200
  298   1HE   LYS  41          HE2       LYS  41 127.683  -0.374 -15.373
  299   2HE   LYS  41          HE1       LYS  41 128.589  -1.576 -14.455
  300   1HZ   LYS  41          HZ1       LYS  41 127.079  -3.266 -15.548
  301   2HZ   LYS  41          HZ2       LYS  41 128.227  -2.526 -16.547
  302   3HZ   LYS  41          HZ3       LYS  41 126.611  -2.031 -16.608
  303    H    GLU  42           HN       GLU  42 125.089  -1.352  -8.357
  304    HA   GLU  42           HA       GLU  42 127.788  -1.246  -7.220
  305   1HB   GLU  42          HB2       GLU  42 125.282  -0.305  -5.850
  306   2HB   GLU  42          HB1       GLU  42 126.943   0.183  -5.549
  307   1HG   GLU  42          HG2       GLU  42 125.509   0.771  -8.121
  308   2HG   GLU  42          HG1       GLU  42 125.488   1.858  -6.732
  309    H    CYS  43           HN       CYS  43 125.402  -3.493  -7.470
  310    HA   CYS  43           HA       CYS  43 125.750  -4.530  -4.751
  311   1HB   CYS  43          HB2       CYS  43 123.700  -4.912  -6.881
  312   2HB   CYS  43          HB1       CYS  43 123.976  -6.235  -5.753
  313    H    GLY  44           HN       GLY  44 127.069  -6.176  -4.346
  314   1HA   GLY  44          HA2       GLY  44 128.390  -8.032  -4.644
  315   2HA   GLY  44          HA1       GLY  44 127.463  -8.372  -6.096
  316    H    THR  45           HN       THR  45 128.786  -5.271  -6.178
  317    HA   THR  45           HA       THR  45 130.607  -6.025  -8.268
  318    HB   THR  45           HB       THR  45 130.778  -3.280  -7.238
  319    HG1  THR  45           HG1      THR  45 128.741  -2.955  -7.060
  320   1HG2  THR  45          HG21      THR  45 130.969  -4.612  -9.739
  321   2HG2  THR  45          HG22      THR  45 131.353  -2.938  -9.336
  322   3HG2  THR  45          HG23      THR  45 129.720  -3.371  -9.842
  323    H    ASN  46           HN       ASN  46 132.403  -7.065  -7.582
  324    HA   ASN  46           HA       ASN  46 133.789  -6.341  -5.180
  325   1HB   ASN  46          HB2       ASN  46 133.873  -8.639  -5.921
  326   2HB   ASN  46          HB1       ASN  46 134.521  -8.157  -7.484
  327   1HD2  ASN  46          HD21      ASN  46 135.235  -7.941  -4.022
  328   2HD2  ASN  46          HD22      ASN  46 136.944  -8.140  -4.184
  329    H    GLU  47           HN       GLU  47 133.864  -4.026  -5.880
  330    HA   GLU  47           HA       GLU  47 135.765  -3.318  -7.927
  331   1HB   GLU  47          HB2       GLU  47 134.362  -1.569  -5.901
  332   2HB   GLU  47          HB1       GLU  47 135.225  -1.014  -7.328
  333   1HG   GLU  47          HG2       GLU  47 133.509  -1.459  -8.695
  334   2HG   GLU  47          HG1       GLU  47 133.109  -2.964  -7.870
  335    H    CYS  48           HN       CYS  48 135.757  -3.648  -4.452
  336    HA   CYS  48           HA       CYS  48 137.969  -2.094  -3.803
  337   1HB   CYS  48          HB2       CYS  48 136.878  -4.605  -2.585
  338   2HB   CYS  48          HB1       CYS  48 138.231  -3.728  -1.888
  339    H    LEU  49           HN       LEU  49 138.043  -5.614  -3.752
  340    HA   LEU  49           HA       LEU  49 140.814  -5.879  -3.996
  341   1HB   LEU  49          HB2       LEU  49 138.747  -7.849  -4.977
  342   2HB   LEU  49          HB1       LEU  49 140.410  -8.203  -4.551
  343    HG   LEU  49           HG       LEU  49 138.238  -7.329  -2.646
  344   1HD1  LEU  49          HD11      LEU  49 137.741  -9.527  -2.939
  345   2HD1  LEU  49          HD12      LEU  49 139.008  -9.695  -1.724
  346   3HD1  LEU  49          HD13      LEU  49 139.381  -9.949  -3.429
  347   1HD2  LEU  49          HD21      LEU  49 141.071  -8.148  -2.023
  348   2HD2  LEU  49          HD22      LEU  49 139.843  -7.586  -0.888
  349   3HD2  LEU  49          HD23      LEU  49 140.512  -6.476  -2.084
  350    H    ASP  50           HN       ASP  50 138.568  -4.843  -6.257
  351    HA   ASP  50           HA       ASP  50 139.447  -5.871  -8.631
  352   1HB   ASP  50          HB2       ASP  50 137.416  -4.355  -8.027
  353   2HB   ASP  50          HB1       ASP  50 138.509  -3.050  -8.478
  354    H    ASN  51           HN       ASN  51 141.266  -3.848  -6.603
  355    HA   ASN  51           HA       ASN  51 143.057  -3.256  -8.841
  356   1HB   ASN  51          HB2       ASN  51 143.441  -0.955  -7.906
  357   2HB   ASN  51          HB1       ASN  51 141.830  -1.204  -8.555
  358   1HD2  ASN  51          HD21      ASN  51 143.306   0.348  -6.231
  359   2HD2  ASN  51          HD22      ASN  51 142.131   0.259  -4.967
  360    H    ASN  52           HN       ASN  52 144.164  -1.530  -6.285
  361    HA   ASN  52           HA       ASN  52 146.199  -3.462  -5.618
  362   1HB   ASN  52          HB2       ASN  52 147.050  -1.576  -4.197
  363   2HB   ASN  52          HB1       ASN  52 146.811  -1.119  -5.880
  364   1HD2  ASN  52          HD21      ASN  52 145.215  -1.082  -2.731
  365   2HD2  ASN  52          HD22      ASN  52 144.296   0.345  -3.020
  366    H    GLY  53           HN       GLY  53 143.412  -1.944  -4.223
  367   1HA   GLY  53          HA2       GLY  53 142.895  -3.961  -2.324
  368   2HA   GLY  53          HA1       GLY  53 143.709  -2.622  -1.540
  369    H    GLY  54           HN       GLY  54 141.627  -2.058  -4.288
  370   1HA   GLY  54          HA2       GLY  54 139.498  -1.239  -4.467
  371   2HA   GLY  54          HA1       GLY  54 139.318  -1.397  -2.730
  372    H    CYS  55           HN       CYS  55 141.549  -0.004  -1.970
  373    HA   CYS  55           HA       CYS  55 141.202   2.695  -2.981
  374   1HB   CYS  55          HB2       CYS  55 140.871   1.801  -0.117
  375   2HB   CYS  55          HB1       CYS  55 141.039   3.468  -0.619
  376    H    SER  56           HN       SER  56 142.965   0.447  -0.860
  377    HA   SER  56           HA       SER  56 145.414   1.336  -1.846
  378   1HB   SER  56          HB2       SER  56 144.494   2.521   0.707
  379   2HB   SER  56          HB1       SER  56 146.178   2.004   0.627
  380    HG   SER  56           HG       SER  56 146.585   3.479  -0.882
  381    H    HIS  57           HN       HIS  57 144.250   0.059   1.271
  382    HA   HIS  57           HA       HIS  57 146.089  -2.204   0.878
  383   1HB   HIS  57          HB2       HIS  57 144.946  -1.051   3.426
  384   2HB   HIS  57          HB1       HIS  57 145.998  -2.462   3.341
  385    HD1  HIS  57           HD1      HIS  57 147.188  -0.347   4.979
  386    HD2  HIS  57           HD2      HIS  57 147.500  -0.297   0.837
  387    HE1  HIS  57           HE1      HIS  57 149.144   1.154   4.473
  388    HE2  HIS  57           HE2      HIS  57 149.276   1.223   1.959
  389    H    VAL  58           HN       VAL  58 143.100  -1.665   2.739
  390    HA   VAL  58           HA       VAL  58 141.963  -4.003   1.405
  391    HB   VAL  58           HB       VAL  58 140.898  -4.385   3.846
  392   1HG1  VAL  58          HG11      VAL  58 142.265  -5.889   2.221
  393   2HG1  VAL  58          HG12      VAL  58 142.120  -6.336   3.922
  394   3HG1  VAL  58          HG13      VAL  58 143.593  -5.563   3.335
  395   1HG2  VAL  58          HG21      VAL  58 142.725  -4.240   5.522
  396   2HG2  VAL  58          HG22      VAL  58 142.154  -2.667   4.969
  397   3HG2  VAL  58          HG23      VAL  58 143.673  -3.318   4.356
  398    H    CYS  59           HN       CYS  59 140.224  -3.338   0.450
  399    HA   CYS  59           HA       CYS  59 138.575  -1.269   1.725
  400   1HB   CYS  59          HB2       CYS  59 139.255  -0.302  -0.236
  401   2HB   CYS  59          HB1       CYS  59 139.350  -1.813  -1.108
  402    H    ASN  60           HN       ASN  60 136.537  -1.697   2.242
  403    HA   ASN  60           HA       ASN  60 135.540  -4.400   1.802
  404   1HB   ASN  60          HB2       ASN  60 135.330  -2.481   3.896
  405   2HB   ASN  60          HB1       ASN  60 133.704  -2.805   3.305
  406   1HD2  ASN  60          HD21      ASN  60 133.568  -3.642   5.553
  407   2HD2  ASN  60          HD22      ASN  60 133.975  -5.299   5.813
  408    H    ASP  61           HN       ASP  61 134.394  -4.763   0.012
  409    HA   ASP  61           HA       ASP  61 132.861  -2.595  -1.188
  410   1HB   ASP  61          HB2       ASP  61 134.377  -4.588  -2.294
  411   2HB   ASP  61          HB1       ASP  61 132.747  -5.225  -2.486
  412    H    LEU  62           HN       LEU  62 130.896  -2.285  -0.462
  413    HA   LEU  62           HA       LEU  62 129.290  -4.560   0.448
  414   1HB   LEU  62          HB2       LEU  62 128.968  -1.590   0.779
  415   2HB   LEU  62          HB1       LEU  62 127.676  -2.705   1.158
  416    HG   LEU  62           HG       LEU  62 130.378  -2.534   2.486
  417   1HD1  LEU  62          HD11      LEU  62 129.089  -0.910   3.478
  418   2HD1  LEU  62          HD12      LEU  62 128.725  -2.308   4.490
  419   3HD1  LEU  62          HD13      LEU  62 127.587  -1.803   3.240
  420   1HD2  LEU  62          HD21      LEU  62 128.196  -4.590   2.769
  421   2HD2  LEU  62          HD22      LEU  62 129.465  -4.343   3.969
  422   3HD2  LEU  62          HD23      LEU  62 129.885  -4.855   2.334
  423    H    LYS  63           HN       LYS  63 126.938  -4.534  -0.136
  424    HA   LYS  63           HA       LYS  63 126.681  -4.637  -2.954
  425   1HB   LYS  63          HB2       LYS  63 124.917  -5.134  -0.619
  426   2HB   LYS  63          HB1       LYS  63 124.126  -4.818  -2.158
  427   1HG   LYS  63          HG2       LYS  63 124.578  -6.859  -2.902
  428   2HG   LYS  63          HG1       LYS  63 126.280  -6.718  -2.459
  429   1HD   LYS  63          HD2       LYS  63 125.693  -8.419  -1.063
  430   2HD   LYS  63          HD1       LYS  63 125.269  -7.058  -0.022
  431   1HE   LYS  63          HE2       LYS  63 122.973  -7.337  -1.404
  432   2HE   LYS  63          HE1       LYS  63 123.539  -9.007  -1.407
  433   1HZ   LYS  63          HZ1       LYS  63 123.346  -7.375   1.061
  434   2HZ   LYS  63          HZ2       LYS  63 123.570  -9.047   0.940
  435   3HZ   LYS  63          HZ3       LYS  63 122.086  -8.361   0.508
  436    H    ILE  64           HN       ILE  64 126.206  -2.100  -0.686
  437    HA   ILE  64           HA       ILE  64 124.803  -0.531  -2.744
  438    HB   ILE  64           HB       ILE  64 123.456  -0.963  -0.697
  439   1HG1  ILE  64          HG12      ILE  64 123.625   1.863  -0.343
  440   2HG1  ILE  64          HG11      ILE  64 123.927   1.503  -2.040
  441   1HG2  ILE  64          HG21      ILE  64 124.918   0.994   0.914
  442   2HG2  ILE  64          HG22      ILE  64 125.763  -0.535   0.677
  443   3HG2  ILE  64          HG23      ILE  64 124.149  -0.520   1.387
  444   1HD1  ILE  64          HD11      ILE  64 121.693  -0.005  -0.993
  445   2HD1  ILE  64          HD12      ILE  64 121.792   1.043  -2.409
  446   3HD1  ILE  64          HD13      ILE  64 121.470   1.736  -0.820
  447    H    GLY  65           HN       GLY  65 127.720  -0.868  -2.372
  448   1HA   GLY  65          HA2       GLY  65 128.980   1.197  -3.142
  449   2HA   GLY  65          HA1       GLY  65 128.442   1.894  -1.625
  450    H    TYR  66           HN       TYR  66 131.133   1.096  -2.852
  451    HA   TYR  66           HA       TYR  66 132.092  -0.773  -0.836
  452   1HB   TYR  66          HB2       TYR  66 134.142  -0.862  -2.114
  453   2HB   TYR  66          HB1       TYR  66 132.778  -1.045  -3.208
  454    HD1  TYR  66           HD1      TYR  66 132.713   0.224  -5.144
  455    HD2  TYR  66           HD2      TYR  66 135.065   1.591  -1.871
  456    HE1  TYR  66           HE1      TYR  66 133.571   2.061  -6.534
  457    HE2  TYR  66           HE2      TYR  66 135.927   3.432  -3.253
  458    HH   TYR  66           HH       TYR  66 134.559   4.283  -6.245
  459    H    GLU  67           HN       GLU  67 133.575  -0.295   0.735
  460    HA   GLU  67           HA       GLU  67 134.297   2.543   1.048
  461   1HB   GLU  67          HB2       GLU  67 134.329   1.316   3.601
  462   2HB   GLU  67          HB1       GLU  67 133.281   2.602   3.030
  463   1HG   GLU  67          HG2       GLU  67 132.718  -0.336   2.697
  464   2HG   GLU  67          HG1       GLU  67 132.080   0.665   4.001
  465    H    CYS  68           HN       CYS  68 136.273   2.908   2.300
  466    HA   CYS  68           HA       CYS  68 138.235   0.832   1.678
  467   1HB   CYS  68          HB2       CYS  68 138.914   3.584   2.656
  468   2HB   CYS  68          HB1       CYS  68 139.859   2.512   1.629
  469    H    LEU  69           HN       LEU  69 139.486  -0.153   3.174
  470    HA   LEU  69           HA       LEU  69 139.050   0.579   5.994
  471   1HB   LEU  69          HB2       LEU  69 139.676  -2.228   5.169
  472   2HB   LEU  69          HB1       LEU  69 138.912  -1.653   6.634
  473    HG   LEU  69           HG       LEU  69 137.662  -1.852   3.898
  474   1HD1  LEU  69          HD11      LEU  69 137.720  -3.523   6.284
  475   2HD1  LEU  69          HD12      LEU  69 137.250  -3.919   4.631
  476   3HD1  LEU  69          HD13      LEU  69 136.087  -3.165   5.722
  477   1HD2  LEU  69          HD21      LEU  69 135.920  -0.571   4.530
  478   2HD2  LEU  69          HD22      LEU  69 137.086   0.135   5.650
  479   3HD2  LEU  69          HD23      LEU  69 135.985  -1.126   6.202
  480    H    CYS  70           HN       CYS  70 140.806   0.092   7.443
  481    HA   CYS  70           HA       CYS  70 143.390  -0.566   6.310
  482   1HB   CYS  70          HB2       CYS  70 143.005   2.093   7.701
  483   2HB   CYS  70          HB1       CYS  70 144.496   1.471   7.006
  484    HA   PRO  71           HA       PRO  71 144.213  -2.437  10.211
  485   1HB   PRO  71          HB2       PRO  71 146.683  -1.242  10.822
  486   2HB   PRO  71          HB1       PRO  71 146.442  -2.745   9.928
  487   1HG   PRO  71          HG2       PRO  71 146.946   0.007   8.908
  488   2HG   PRO  71          HG1       PRO  71 147.485  -1.551   8.258
  489   1HD   PRO  71          HD2       PRO  71 145.491  -0.185   7.111
  490   2HD   PRO  71          HD1       PRO  71 145.450  -1.958   7.212
  491    H    ASP  72           HN       ASP  72 144.239  -2.006  12.472
  492    HA   ASP  72           HA       ASP  72 142.835   0.256  13.278
  493   1HB   ASP  72          HB2       ASP  72 144.484  -1.747  14.809
  494   2HB   ASP  72          HB1       ASP  72 143.639  -0.430  15.618
  495    H    GLY  73           HN       GLY  73 143.449   2.028  14.623
  496   1HA   GLY  73          HA2       GLY  73 144.765   3.789  15.269
  497   2HA   GLY  73          HA1       GLY  73 146.135   2.696  15.187
  498    H    PHE  74           HN       PHE  74 144.507   2.826  12.215
  499    HA   PHE  74           HA       PHE  74 146.506   4.751  11.225
  500   1HB   PHE  74          HB2       PHE  74 145.309   2.308   9.962
  501   2HB   PHE  74          HB1       PHE  74 145.983   3.586   8.966
  502    HD1  PHE  74           HD1      PHE  74 147.920   2.741   8.059
  503    HD2  PHE  74           HD2      PHE  74 147.169   2.192  12.208
  504    HE1  PHE  74           HE1      PHE  74 150.172   1.788   8.336
  505    HE2  PHE  74           HE2      PHE  74 149.418   1.237  12.496
  506    HZ   PHE  74           HZ       PHE  74 150.924   1.034  10.557
  507    H    GLN  75           HN       GLN  75 145.926   6.337   9.820
  508    HA   GLN  75           HA       GLN  75 143.042   6.838   9.552
  509   1HB   GLN  75          HB2       GLN  75 145.259   8.884   9.426
  510   2HB   GLN  75          HB1       GLN  75 143.531   9.193   9.513
  511   1HG   GLN  75          HG2       GLN  75 143.473   8.958  11.735
  512   2HG   GLN  75          HG1       GLN  75 144.575   7.582  11.720
  513   1HE2  GLN  75          HE21      GLN  75 146.552   7.891  12.465
  514   2HE2  GLN  75          HE22      GLN  75 147.307   9.424  12.726
  515    H    LEU  76           HN       LEU  76 142.313   6.412   7.592
  516    HA   LEU  76           HA       LEU  76 143.953   6.140   5.297
  517   1HB   LEU  76          HB2       LEU  76 142.078   4.810   5.200
  518   2HB   LEU  76          HB1       LEU  76 141.037   6.037   5.888
  519    HG   LEU  76           HG       LEU  76 142.085   6.678   3.211
  520   1HD1  LEU  76          HD11      LEU  76 140.173   5.176   2.278
  521   2HD1  LEU  76          HD12      LEU  76 140.463   4.231   3.738
  522   3HD1  LEU  76          HD13      LEU  76 141.768   4.489   2.581
  523   1HD2  LEU  76          HD21      LEU  76 140.465   8.163   3.654
  524   2HD2  LEU  76          HD22      LEU  76 139.716   7.130   4.871
  525   3HD2  LEU  76          HD23      LEU  76 139.368   6.873   3.162
  526    H    VAL  77           HN       VAL  77 144.725   7.697   3.987
  527    HA   VAL  77           HA       VAL  77 143.544  10.359   4.147
  528    HB   VAL  77           HB       VAL  77 146.150   9.614   2.838
  529   1HG1  VAL  77          HG11      VAL  77 145.758  12.255   4.065
  530   2HG1  VAL  77          HG12      VAL  77 144.744  11.922   2.662
  531   3HG1  VAL  77          HG13      VAL  77 146.498  11.814   2.526
  532   1HG2  VAL  77          HG21      VAL  77 145.738  10.580   5.667
  533   2HG2  VAL  77          HG22      VAL  77 147.278  10.224   4.886
  534   3HG2  VAL  77          HG23      VAL  77 146.134   8.923   5.212
  535    H    ALA  78           HN       ALA  78 142.815  11.489   2.401
  536    HA   ALA  78           HA       ALA  78 142.096  11.940   0.282
  537   1HB   ALA  78          HB1       ALA  78 143.352   9.591  -0.984
  538   2HB   ALA  78          HB2       ALA  78 144.443  10.728  -0.193
  539   3HB   ALA  78          HB3       ALA  78 143.360  11.287  -1.467
  540    H    GLN  79           HN       GLN  79 140.922   9.816   2.158
  541    HA   GLN  79           HA       GLN  79 139.025   8.588   2.218
  542   1HB   GLN  79          HB2       GLN  79 138.750  10.011  -0.372
  543   2HB   GLN  79          HB1       GLN  79 137.703   8.625  -0.105
  544   1HG   GLN  79          HG2       GLN  79 137.940  10.833   1.906
  545   2HG   GLN  79          HG1       GLN  79 136.826  10.927   0.543
  546   1HE2  GLN  79          HE21      GLN  79 134.897  10.002   0.730
  547   2HE2  GLN  79          HE22      GLN  79 134.411   8.950   2.011
  548    H    ARG  80           HN       ARG  80 141.682   7.664   0.686
  549    HA   ARG  80           HA       ARG  80 140.603   5.011   0.233
  550   1HB   ARG  80          HB2       ARG  80 141.848   6.625  -1.960
  551   2HB   ARG  80          HB1       ARG  80 141.934   4.877  -1.971
  552   1HG   ARG  80          HG2       ARG  80 139.296   5.222  -1.545
  553   2HG   ARG  80          HG1       ARG  80 139.662   6.660  -2.499
  554   1HD   ARG  80          HD2       ARG  80 140.986   4.438  -3.689
  555   2HD   ARG  80          HD1       ARG  80 139.310   3.984  -3.390
  556    HE   ARG  80           HE       ARG  80 138.681   5.401  -5.060
  557   1HH1  ARG  80          HH11      ARG  80 141.886   6.295  -4.007
  558   2HH1  ARG  80          HH12      ARG  80 142.100   7.481  -5.249
  559   1HH2  ARG  80          HH21      ARG  80 138.961   6.961  -6.696
  560   2HH2  ARG  80          HH22      ARG  80 140.439   7.861  -6.776
  561    H    ARG  81           HN       ARG  81 143.248   6.988   1.153
  562    HA   ARG  81           HA       ARG  81 145.223   4.916   0.801
  563   1HB   ARG  81          HB2       ARG  81 145.308   7.659   2.001
  564   2HB   ARG  81          HB1       ARG  81 146.635   6.536   2.218
  565   1HG   ARG  81          HG2       ARG  81 146.876   8.178   0.329
  566   2HG   ARG  81          HG1       ARG  81 147.117   6.481  -0.083
  567   1HD   ARG  81          HD2       ARG  81 144.782   6.393  -0.901
  568   2HD   ARG  81          HD1       ARG  81 144.630   8.118  -0.572
  569    HE   ARG  81           HE       ARG  81 145.875   6.915  -2.829
  570   1HH1  ARG  81          HH11      ARG  81 146.051   9.671  -0.695
  571   2HH1  ARG  81          HH12      ARG  81 146.810  10.690  -1.871
  572   1HH2  ARG  81          HH21      ARG  81 146.874   8.254  -4.377
  573   2HH2  ARG  81          HH22      ARG  81 147.278   9.886  -3.960
  574    H    CYS  82           HN       CYS  82 146.660   4.415   2.730
  575    HA   CYS  82           HA       CYS  82 145.058   3.993   5.152
  576   1HB   CYS  82          HB2       CYS  82 146.590   1.949   3.573
  577   2HB   CYS  82          HB1       CYS  82 146.288   1.721   5.289
  578    H    GLU  83           HN       GLU  83 146.104   5.359   6.497
  579    HA   GLU  83           HA       GLU  83 148.668   4.672   7.452
  580   1HB   GLU  83          HB2       GLU  83 149.013   5.995   5.188
  581   2HB   GLU  83          HB1       GLU  83 148.749   7.390   6.225
  582   1HG   GLU  83          HG2       GLU  83 150.944   7.299   6.579
  583   2HG   GLU  83          HG1       GLU  83 150.563   5.968   7.671