*HEADER    RECEPTOR, TOXIN                         06-MAR-02   1L4W              
*TITLE     NMR STRUCTURE OF AN ACHR-PEPTIDE (TORPEDO CALIFORNICA,                
*TITLE    2 ALPHA-SUBUNIT RESIDUES 182-202) IN COMPLEX WITH ALPHA-               
*TITLE    3 BUNGAROTOXIN                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-BUNGAROTOXIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: LONG NEUROTOXIN 1, ALPHA-BTX, BGTX;                         
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: ACETYLCHOLINE RECEPTOR PROTEIN;                            
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 FRAGMENT: ACETYLCHOLINE RECEPTOR PEPTIDE (RESIDUES 206-226)          
*COMPND   9 ;                                                                    
*COMPND  10 SYNONYM: ACHR;                                                       
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS;                          
*SOURCE   3 ORGANISM_COMMON: SNAKE;                                              
*SOURCE   4 STRAIN: BANDED KRAIT;                                                
*SOURCE   5 SECRETION: VENOM;                                                    
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 SYNTHETIC: YES;                                                      
*SOURCE   8 OTHER_DETAILS: SYNTHESIZED PEPTIDE                                   
*KEYWDS    PROTEIN-PROTEIN COMPLEX,INTERMOLECULAR BETA SHEET,                    
*KEYWDS   2 BUNGAROTOXIN, ACETYLCHOLINE RECEPTOR                                 
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    A.O.SAMSON, T.SCHERF, E.RODRIGUEZ, M.EISENSTEIN, J.ANGLISTER          
*REVDAT   1   17-JUL-02 1L4W    0                                                


!############### Distance Constraints from NOESY in H2O #################
assign (resid 37 and name HN)(resid 36 and name HB*) 2.8 1 0.84
assign (resid 1 and name HA)(resid 64 and name HN) 4.25 2.45 1.275
assign (resid 1 and name HB*)(resid 64 and name HN) 3.89 2.09 1.167
assign (resid 1 and name HG*)(resid 64 and name HN) 4.06 2.26 1.218
assign (resid 11 and name HA)(resid 11 and name HN) 3.07 1.27 0.921
assign (resid 11 and name HA)(resid 189 and name HE*) 4.34 2.54 1.302
assign (resid 11 and name HB*)(resid 11 and name HN) 2.58 0.78 0.774
assign (resid 11 and name HB*)(resid 11 and name HN) 3.16 1.36 0.948
assign (resid 11 and name HB*)(resid 12 and name HN) 3.84 2.04 1.152
assign (resid 11 and name HB3)(resid 11 and name HN) 3.68 1.88 1.104
assign (resid 11 and name HG*)(resid 11 and name HN) 3.05 1.25 0.915
assign (resid 11 and name HG*)(resid 11 and name HN) 3.13 1.33 0.939
assign (resid 11 and name HG*)(resid 12 and name HN) 2.75 0.95 0.825
assign (resid 11 and name HG*)(resid 12 and name HN) 3.97 2.17 1.191
assign (resid 11 and name HG*)(resid 189 and name HE*) 3.45 1.65 1.035
assign (resid 11 and name HG*)(resid 189 and name HE*) 3.93 2.13 1.179
assign (resid 11 and name HG*)(resid 68 and name HN) 3.47 1.67 1.041
assign (resid 11 and name HN)(resid 10 and name HA) 2.64 0.84 0.792
assign (resid 11 and name HN)(resid 10 and name HB*) 2.88 1.08 0.864
assign (resid 11 and name HN)(resid 10 and name HD*) 3.18 1.38 0.954
assign (resid 11 and name HN)(resid 10 and name HG*) 2.78 0.98 0.834
assign (resid 11 and name HN)(resid 187 and name HD*) 4.60 2.8 1.38
assign (resid 11 and name HN)(resid 187 and name HH2) 4.25 2.45 1.275
assign (resid 12 and name HA)(resid 13 and name HN) 2.51 0.71 0.753
assign (resid 12 and name HB*)(resid 12 and name HN) 2.55 0.75 0.765
assign (resid 12 and name HN)(resid 11 and name HA) 4.24 2.44 1.272
assign (resid 12 and name HN)(resid 11 and name HG*) 4.05 2.25 1.215
assign (resid 12 and name HN)(resid 11 and name HN) 3.82 2.02 1.146
assign (resid 12 and name HN)(resid 12 and name HA) 3.15 1.35 0.945
assign (resid 12 and name HN)(resid 13 and name HN) 4.09 2.29 1.227
assign (resid 12 and name HN)(resid 185 and name HD*) 4.25 2.45 1.275
assign (resid 12 and name HN)(resid 185 and name HG*) 4.04 2.24 1.212
assign (resid 12 and name HN)(resid 4 and name HA) 3.95 2.15 1.185
assign (resid 12 and name HN)(resid 6 and name HA) 4.16 2.36 1.248
assign (resid 13 and name HA)(resid 13 and name HN) 3.17 1.37 0.951
assign (resid 13 and name HA)(resid 14 and name HN) 2.48 0.68 0.744
assign (resid 13 and name HB*)(resid 13 and name HN) 2.46 0.66 0.738
assign (resid 13 and name HN)(resid 12 and name HB*) 2.70 0.9 0.81
assign (resid 13 and name HN)(resid 12 and name HB*) 2.96 1.16 0.888
assign (resid 13 and name HN)(resid 5 and name HG2#) 4.00 2.2 1.2
assign (resid 14 and name HA)(resid 14 and name HN) 3.00 1.2 0.9
assign (resid 14 and name HA)(resid 15 and name HN) 2.20 0.4 0.66
assign (resid 14 and name HB*)(resid 14 and name HN) 3.52 1.72 1.056
assign (resid 14 and name HB*)(resid 15 and name HN) 2.61 0.81 0.783
assign (resid 14 and name HG*)(resid 15 and name HN) 3.70 1.9 1.11
assign (resid 14 and name HN)(resid 13 and name HB*) 2.66 0.86 0.798
assign (resid 14 and name HN)(resid 13 and name HN) 4.14 2.34 1.242
assign (resid 14 and name HN)(resid 14 and name HG*) 3.05 1.25 0.915
assign (resid 14 and name HN)(resid 3 and name HB*) 4.44 2.64 1.332
assign (resid 14 and name HN)(resid 4 and name HA) 3.28 1.48 0.984
assign (resid 14 and name HN)(resid 4 and name HB*) 4.49 2.69 1.347
assign (resid 15 and name HA)(resid 16 and name HN) 2.20 0.4 0.66
assign (resid 15 and name HA)(resid 3 and name HN) 3.27 1.47 0.981
assign (resid 15 and name HB*)(resid 15 and name HN) 2.47 0.67 0.741
assign (resid 15 and name HB*)(resid 16 and name HN) 3.41 1.61 1.023
assign (resid 15 and name HG2#)(resid 15 and name HN) 2.92 1.12 0.876
assign (resid 15 and name HG2#)(resid 16 and name HN) 2.62 0.82 0.786
assign (resid 15 and name HG2#)(resid 3 and name HN) 4.23 2.43 1.269
assign (resid 15 and name HN)(resid 14 and name HN) 4.01 2.21 1.203
assign (resid 15 and name HN)(resid 16 and name HN) 3.55 1.75 1.065
assign (resid 16 and name HA)(resid 16 and name HN) 2.80 1 0.84
assign (resid 16 and name HB*)(resid 16 and name HN) 2.73 0.93 0.819
assign (resid 16 and name HB*)(resid 16 and name HN) 2.96 1.16 0.888
assign (resid 16 and name HN)(resid 17 and name HD*) 3.83 2.03 1.149
assign (resid 181 and name HA)(resid 181 and name HN) 2.82 1.02 0.846
assign (resid 181 and name HB*)(resid 181 and name HN) 3.12 1.32 0.936
assign (resid 181 and name HB*)(resid 182 and name HN) 3.72 1.92 1.116
assign (resid 181 and name HD*)(resid 181 and name HN) 3.49 1.69 1.047
assign (resid 181 and name HN)(resid 181 and name HB*) 3.89 2.09 1.167
assign (resid 182 and name HA)(resid 182 and name HN) 3.61 1.81 1.083
assign (resid 182 and name HB*)(resid 182 and name HN) 3.54 1.74 1.062
assign (resid 182 and name HB*)(resid 183 and name HN) 3.41 1.61 1.023
assign (resid 182 and name HB*)(resid 183 and name HN) 4.13 2.33 1.239
assign (resid 182 and name HD*)(resid 182 and name HN) 3.19 1.39 0.957
assign (resid 182 and name HD*)(resid 182 and name HN) 4.21 2.41 1.263
assign (resid 182 and name HE*)(resid 182 and name HN) 3.98 2.18 1.194
assign (resid 182 and name HG*)(resid 182 and name HN) 2.87 1.07 0.861
assign (resid 183 and name HA)(resid 183 and name HN) 2.67 0.87 0.801
assign (resid 183 and name HA)(resid 184 and name HN) 2.63 0.83 0.789
assign (resid 183 and name HN)(resid 182 and name HA) 2.78 0.98 0.834
assign (resid 183 and name HN)(resid 182 and name HG*) 3.58 1.78 1.074
assign (resid 184 and name HA)(resid 184 and name HN) 3.15 1.35 0.945
assign (resid 184 and name HA)(resid 185 and name HN) 2.55 0.75 0.765
assign (resid 184 and name HB*)(resid 184 and name HD*) 3.04 1.24 0.912
assign (resid 184 and name HB*)(resid 184 and name HD*) 3.20 1.4 0.96
assign (resid 184 and name HB*)(resid 184 and name HN) 3.09 1.29 0.927
assign (resid 184 and name HB*)(resid 184 and name HN) 3.16 1.36 0.948
assign (resid 184 and name HE1)(resid 186 and name HB*) 4.53 2.73 1.359
assign (resid 184 and name HE1)(resid 186 and name HB*) 4.70 2.9 1.41
assign (resid 184 and name HE3)(resid 183 and name HA) 4.35 2.55 1.305
assign (resid 184 and name HE3)(resid 184 and name HA) 3.60 1.8 1.08
assign (resid 184 and name HE3)(resid 8 and name HA) 4.15 2.35 1.245
assign (resid 184 and name HE3)(resid 8 and name HB*) 4.35 2.55 1.305
assign (resid 184 and name HN)(resid 183 and name HN) 3.53 1.73 1.059
assign (resid 184 and name HN)(resid 184 and name HD*) 3.43 1.63 1.029
assign (resid 184 and name HN)(resid 184 and name HZ2) 4.08 2.28 1.224
assign (resid 185 and name HA)(resid 185 and name HN) 3.21 1.41 0.963
assign (resid 185 and name HB*)(resid 185 and name HN) 3.22 1.42 0.966
assign (resid 185 and name HD*)(resid 186 and name HN) 3.94 2.14 1.182
assign (resid 185 and name HD*)(resid 186 and name HN) 4.10 2.3 1.23
assign (resid 185 and name HG*)(resid 185 and name HN) 3.52 1.72 1.056
assign (resid 185 and name HG*)(resid 185 and name HN) 3.81 2.01 1.143
assign (resid 185 and name HN)(resid 184 and name HB*) 3.32 1.52 0.996
assign (resid 185 and name HN)(resid 184 and name HB*) 3.69 1.89 1.107
assign (resid 185 and name HN)(resid 184 and name HD*) 3.92 2.12 1.176
assign (resid 185 and name HN)(resid 185 and name HG*) 3.56 1.76 1.068
assign (resid 185 and name HN)(resid 186 and name HN) 4.12 2.32 1.236
assign (resid 186 and name HA)(resid 186 and name HD*) 3.42 1.62 1.026
assign (resid 186 and name HA)(resid 186 and name HN) 3.30 1.5 0.99
assign (resid 186 and name HA)(resid 187 and name HN) 2.61 0.81 0.783
assign (resid 186 and name HB*)(resid 186 and name HN) 3.46 1.66 1.038
assign (resid 186 and name HB*)(resid 186 and name HN) 3.48 1.68 1.044
assign (resid 186 and name HB*)(resid 187 and name HN) 3.41 1.61 1.023
assign (resid 186 and name HB*)(resid 187 and name HN) 3.65 1.85 1.095
assign (resid 186 and name HD*)(resid 186 and name HB*) 3.60 1.8 1.08
assign (resid 186 and name HD*)(resid 186 and name HB*) 3.72 1.92 1.116
assign (resid 186 and name HD*)(resid 186 and name HN) 3.90 2.1 1.17
assign (resid 186 and name HD*)(resid 188 and name HG*) 3.52 1.72 1.056
assign (resid 186 and name HN)(resid 185 and name HA) 2.62 0.82 0.786
assign (resid 187 and name HA)(resid 187 and name HE3) 2.90 1.1 0.87
assign (resid 187 and name HA)(resid 187 and name HN) 3.36 1.56 1.008
assign (resid 187 and name HA)(resid 187 and name HZ3) 4.00 2.2 1.2
assign (resid 187 and name HA)(resid 188 and name HN) 2.71 0.91 0.813
assign (resid 187 and name HB*)(resid 187 and name HN) 3.23 1.43 0.969
assign (resid 187 and name HB*)(resid 187 and name HN) 3.52 1.72 1.056
assign (resid 187 and name HB*)(resid 187 and name HZ3) 4.46 2.66 1.338
assign (resid 187 and name HB*)(resid 188 and name HN) 3.46 1.66 1.038
assign (resid 187 and name HB*)(resid 188 and name HN) 3.79 1.99 1.137
assign (resid 187 and name HB*)(resid 189 and name HD*) 4.30 2.5 1.29
assign (resid 187 and name HB*)(resid 189 and name HE*) 3.69 1.89 1.107
assign (resid 187 and name HB*)(resid 189 and name HE*) 3.70 1.9 1.11
assign (resid 187 and name HD*)(resid 185 and name HB*) 3.89 2.09 1.167
assign (resid 187 and name HD*)(resid 185 and name HD*) 4.55 2.75 1.365
assign (resid 187 and name HD*)(resid 185 and name HG*) 4.08 2.28 1.224
assign (resid 187 and name HD*)(resid 187 and name HA) 3.42 1.62 1.026
assign (resid 187 and name HD*)(resid 187 and name HB*) 2.89 1.09 0.867
assign (resid 187 and name HD*)(resid 187 and name HB*) 3.14 1.34 0.942
assign (resid 187 and name HD*)(resid 199 and name HG*) 3.96 2.16 1.188
assign (resid 187 and name HD*)(resid 8 and name HA) 4.39 2.59 1.317
assign (resid 187 and name HE1)(resid 185 and name HG*) 4.21 2.41 1.263
assign (resid 187 and name HE1)(resid 187 and name HB*) 4.24 2.44 1.272
assign (resid 187 and name HE1)(resid 187 and name HB*) 4.63 2.83 1.389
assign (resid 187 and name HE1)(resid 189 and name HE*) 4.04 2.24 1.212
assign (resid 187 and name HE1)(resid 199 and name HB*) 3.69 1.89 1.107
assign (resid 187 and name HE1)(resid 199 and name HB*) 4.39 2.59 1.317
assign (resid 187 and name HE1)(resid 199 and name HB*) 4.74 2.94 1.422
assign (resid 187 and name HE1)(resid 199 and name HG*) 3.85 2.05 1.155
assign (resid 187 and name HE1)(resid 199 and name HG*) 4.08 2.28 1.224
assign (resid 187 and name HE1)(resid 199 and name HG*) 4.51 2.71 1.353
assign (resid 187 and name HE1)(resid 7 and name HA) 4.62 2.82 1.386
assign (resid 187 and name HE1)(resid 8 and name HA) 3.53 1.73 1.059
assign (resid 187 and name HE1)(resid 8 and name HG2#) 4.23 2.43 1.269
assign (resid 187 and name HE1)(resid 8 and name HG2#) 4.60 2.8 1.38
assign (resid 187 and name HE1)(resid 8 and name HN) 4.46 2.66 1.338
assign (resid 187 and name HE1)(resid 9 and name HA) 4.17 2.37 1.251
assign (resid 187 and name HE1)(resid 9 and name HB*) 3.89 2.09 1.167
assign (resid 187 and name HE1)(resid 9 and name HB*) 3.93 2.13 1.179
assign (resid 187 and name HE1)(resid 9 and name HN) 3.75 1.95 1.125
assign (resid 187 and name HE3)(resid 188 and name HN) 3.64 1.84 1.092
assign (resid 187 and name HN)(resid 186 and name HD*) 4.27 2.47 1.281
assign (resid 187 and name HN)(resid 186 and name HN) 3.54 1.74 1.062
assign (resid 187 and name HN)(resid 187 and name HD*) 3.47 1.67 1.041
assign (resid 187 and name HN)(resid 188 and name HN) 4.41 2.61 1.323
assign (resid 187 and name HZ2)(resid 199 and name HG*) 3.95 2.15 1.185
assign (resid 187 and name HZ2)(resid 199 and name HG*) 4.04 2.24 1.212
assign (resid 187 and name HZ2)(resid 9 and name HB*) 3.73 1.93 1.119
assign (resid 187 and name HZ2)(resid 9 and name HB*) 3.82 2.02 1.146
assign (resid 187 and name HZ3)(resid 188 and name HN) 4.56 2.76 1.368
assign (resid 187 and name HZ3)(resid 199 and name HB*) 3.28 1.48 0.984
assign (resid 187 and name HZ3)(resid 199 and name HG*) 3.76 1.96 1.128
assign (resid 187 and name HZ3)(resid 199 and name HG*) 4.23 2.43 1.269
assign (resid 187 and name HZ3)(resid 199 and name HN) 3.80 2 1.14
assign (resid 188 and name HA)(resid 188 and name NH) 3.52 1.72 1.056
assign (resid 188 and name HB*)(resid 188 and name HN) 3.27 1.47 0.981
assign (resid 188 and name HB*)(resid 189 and name HN) 4.03 2.23 1.209
assign (resid 188 and name HB*)(resid 198 and name HE*) 4.04 2.24 1.212
assign (resid 188 and name HG*)(resid 188 and name HN) 3.22 1.42 0.966
assign (resid 188 and name HG*)(resid 188 and name HN) 4.08 2.28 1.224
assign (resid 188 and name HG*)(resid 189 and name HN) 3.68 1.88 1.104
assign (resid 188 and name HG*)(resid 190 and name HN) 3.73 1.93 1.119
assign (resid 188 and name HN)(resid 199 and name HA) 3.89 2.09 1.167
assign (resid 188 and name HN)(resid 199 and name HG*) 4.52 2.72 1.356
assign (resid 188 and name HN)(resid 200 and name HN) 4.54 2.74 1.362
assign (resid 189 and name HA)(resid 189 and name HN) 3.74 1.94 1.122
assign (resid 189 and name HA)(resid 190 and name HN) 2.95 1.15 0.885
assign (resid 189 and name HB*)(resid 189 and name HD*) 2.80 1 0.84
assign (resid 189 and name HB*)(resid 189 and name HE*) 3.35 1.55 1.005
assign (resid 189 and name HB*)(resid 189 and name HE*) 4.16 2.36 1.248
assign (resid 189 and name HB*)(resid 189 and name HN) 3.33 1.53 0.999
assign (resid 189 and name HB*)(resid 189 and name HN) 3.63 1.83 1.089
assign (resid 189 and name HB*)(resid 190 and name HN) 3.68 1.88 1.104
assign (resid 189 and name HD*)(resid 11 and name HB*) 4.57 2.77 1.371
assign (resid 189 and name HD*)(resid 11 and name HD*) 4.18 2.38 1.254
assign (resid 189 and name HD*)(resid 187 and name HB*) 4.09 2.29 1.227
assign (resid 189 and name HD*)(resid 187 and name HD*) 4.42 2.62 1.326
assign (resid 189 and name HD*)(resid 189 and name HA) 3.34 1.54 1.002
assign (resid 189 and name HD*)(resid 189 and name HB*) 2.84 1.04 0.852
assign (resid 189 and name HD*)(resid 189 and name HE*) 2.53 0.73 0.759
assign (resid 189 and name HD*)(resid 189 and name HN) 3.29 1.49 0.987
assign (resid 189 and name HD*)(resid 40 and name HB*) 3.68 1.88 1.104
assign (resid 189 and name HD*)(resid 40 and name HG*) 4.24 2.44 1.272
assign (resid 189 and name HD*)(resid 42 and name HD*) 3.92 2.12 1.176
assign (resid 189 and name HD*)(resid 6 and name HB*) 2.68 0.88 0.804
assign (resid 189 and name HD*)(resid 6 and name HG2#) 2.87 1.07 0.861
assign (resid 189 and name HD*)(resid 68 and name HD*) 3.59 1.79 1.077
assign (resid 189 and name HE*)(resid 10 and name HA) 3.86 2.06 1.158
assign (resid 189 and name HE*)(resid 11 and name HB*) 3.86 2.06 1.158
assign (resid 189 and name HE*)(resid 11 and name HB*) 4.38 2.58 1.314
assign (resid 189 and name HE*)(resid 11 and name HG*) 3.25 1.45 0.975
assign (resid 189 and name HE*)(resid 40 and name HG*) 4.54 2.74 1.362
assign (resid 189 and name HE*)(resid 42 and name HD*) 3.60 1.8 1.08
assign (resid 189 and name HE*)(resid 42 and name HG*) 4.04 2.24 1.212
assign (resid 189 and name HE*)(resid 6 and name HB*) 3.30 1.5 0.99
assign (resid 189 and name HE*)(resid 6 and name HB*) 3.39 1.59 1.017
assign (resid 189 and name HE1)(resid 11 and name HN) 3.71 1.91 1.113
assign (resid 189 and name HE1)(resid 189 and name HN) 4.60 2.8 1.38
assign (resid 189 and name HN)(resid 188 and name HA) 2.71 0.91 0.813
assign (resid 189 and name HN)(resid 188 and name HG*) 3.37 1.57 1.011
assign (resid 189 and name HN)(resid 188 and name HN) 4.44 2.64 1.332
assign (resid 189 and name HN)(resid 39 and name HG*) 3.90 2.1 1.17
assign (resid 189 and name HN)(resid 40 and name HB*) 4.55 2.75 1.365
assign (resid 189 and name HN)(resid 6 and name HB*) 4.56 2.76 1.368
assign (resid 189 and name HN)(resid 6 and name HG2#) 4.29 2.49 1.287
assign (resid 19 and name HA*)(resid 19 and name HN) 2.16 0.36 0.648
assign (resid 19 and name HA*)(resid 19 and name HN) 2.67 0.87 0.801
assign (resid 19 and name HA*)(resid 20 and name HN) 3.49 1.69 1.047
assign (resid 19 and name HA*)(resid 21 and name HD*) 3.79 1.99 1.137
assign (resid 19 and name HN)(resid 20 and name HN) 2.77 0.97 0.831
assign (resid 19 and name HN)(resid 21 and name HD*) 3.95 2.15 1.185
assign (resid 190 and name HD*)(resid 36 and name HB*) 3.1 1.3 0.93
assign (resid 190 and name HD*)(resid 36 and name HD*) 2.8 1 0.84
assign (resid 190 and name HD*)(resid 36 and name HG*) 3.4 1.6 1.02
assign (resid 190 and name HE*)(resid 36 and name HG*) 2.8 1 0.84
assign (resid 190 and name HA)(resid 191 and name HN) 2.68 0.88 0.804
assign (resid 190 and name HB*)(resid 190 and name HE*) 4.20 2.4 1.26
assign (resid 190 and name HB*)(resid 190 and name HN) 3.11 1.31 0.933
assign (resid 190 and name HB*)(resid 190 and name HN) 3.53 1.73 1.059
assign (resid 190 and name HB*)(resid 191 and name HN) 3.21 1.41 0.963
assign (resid 190 and name HB*)(resid 191 and name HN) 3.56 1.76 1.068
assign (resid 190 and name HD*)(resid 188 and name HB*) 4.50 2.7 1.35
assign (resid 190 and name HD*)(resid 188 and name HG*) 4.52 2.72 1.356
assign (resid 190 and name HD*)(resid 189 and name HA) 3.10 1.3 0.93
assign (resid 190 and name HD*)(resid 189 and name HB*) 4.25 2.45 1.275
assign (resid 190 and name HD*)(resid 190 and name HB*) 2.85 1.05 0.855
assign (resid 190 and name HD*)(resid 190 and name HB*) 2.88 1.08 0.864
assign (resid 190 and name HD*)(resid 190 and name HE*) 2.85 1.05 0.855
assign (resid 190 and name HD*)(resid 190 and name HN) 3.40 1.6 1.02
assign (resid 190 and name HD*)(resid 191 and name HN) 4.34 2.54 1.302
assign (resid 190 and name HD*)(resid 198 and name HB*) 3.88 2.08 1.164
assign (resid 190 and name HD*)(resid 198 and name HB*) 4.10 2.3 1.23
assign (resid 190 and name HD*)(resid 198 and name HE*) 3.07 1.27 0.921
assign (resid 190 and name HD*)(resid 39 and name HA) 3.51 1.71 1.053
assign (resid 190 and name HD*)(resid 39 and name HG*) 4.18 2.38 1.254
assign (resid 190 and name HD*)(resid 39 and name HN) 4.21 2.41 1.263
assign (resid 190 and name HD*)(resid 40 and name HN) 4.20 2.4 1.26
assign (resid 190 and name HD1)(resid 188 and name HG*) 3.82 2.02 1.146
assign (resid 190 and name HD2)(resid 188 and name HG*) 3.82 2.02 1.146
assign (resid 190 and name HE*)(resid 189 and name HA) 3.83 2.03 1.149
assign (resid 190 and name HE*)(resid 198 and name HE*) 2.27 0.47 0.681
assign (resid 190 and name HN)(resid 188 and name HG*) 4.08 2.28 1.224
assign (resid 191 and name HB*)(resid 191 and name HN) 2.99 1.19 0.897
assign (resid 191 and name HB*)(resid 193 and name HN) 4.05 2.25 1.215
assign (resid 191 and name HB*)(resid 70 and name HN) 4.23 2.43 1.269
assign (resid 191 and name HG2#)(resid 191 and name HN) 2.78 0.98 0.834
assign (resid 191 and name HG2#)(resid 38 and name HN) 3.02 1.22 0.906
assign (resid 191 and name HG2#)(resid 70 and name HN) 4.43 2.63 1.329
assign (resid 191 and name HN)(resid 191 and name HA) 3.05 1.25 0.915
assign (resid 191 and name HN)(resid 192trans and name HN) 4.37 2.57 1.311
assign (resid 191 and name HN)(resid 37 and name HA*) 4.14 2.34 1.242
assign (resid 191 and name HN)(resid 37 and name HA*) 4.64 2.84 1.392
assign (resid 191 and name HN)(resid 39 and name HA) 3.67 1.87 1.101
assign (resid 191 and name HN)(resid 39 and name HB*) 4.50 2.7 1.35
assign (resid 191 and name HN)(resid 40 and name HB*) 3.90 2.1 1.17
assign (resid 192 and name HN)(resid 191 and name HA) 3.58 1.78 1.074
assign (resid 192 and name HN)(resid 191 and name HB*) 2.46 0.66 0.738
assign (resid 192 and name HN)(resid 191 and name HG2#) 3.26 1.46 0.978
assign (resid 192 and name HN)(resid 191 and name HN) 3.45 1.65 1.035
assign (resid 192 and name HN)(resid 192 and name HA) 3.18 1.38 0.954
assign (resid 192 and name HN)(resid 192 and name HB*) 2.98 1.18 0.894
assign (resid 192 and name HN)(resid 192 and name HB*) 3.42 1.62 1.026
assign (resid 192 and name HN)(resid 193 and name HB*) 4.50 2.7 1.35
assign (resid 192 and name HN)(resid 194 and name HD*) 3.80 2 1.14
assign (resid 192 and name HN)(resid 68 and name HD*) 3.83 2.03 1.149
assign (resid 192 and name HN)(resid 69 and name HB*) 4.15 2.35 1.245
assign (resid 192 and name HN)(resid 69 and name HG*) 4.47 2.67 1.341
assign (resid 192 and name HN)(resid 70 and name HA) 3.57 1.77 1.071
assign (resid 192 and name HN)(resid 70 and name HB*) 2.72 0.92 0.816
assign (resid 192 and name HN)(resid 70 and name HB*) 3.03 1.23 0.909
assign (resid 192 and name HN)(resid 70 and name HE*) 3.07 1.27 0.921
assign (resid 192 and name HN)(resid 70 and name HG*) 3.23 1.43 0.969
assign (resid 192 and name HN)(resid 70 and name HN) 3.16 1.36 0.948
assign (resid 192 and name HN)(resid 71 and name HG*) 4.22 2.42 1.266
assign (resid 192 and name HN)(resid 71 and name HN) 4.00 2.2 1.2
assign (resid 193 and name HA)(resid 192trans and name HN) 3.98 2.18 1.194
assign (resid 193 and name HA)(resid 195 and name HN) 3.54 1.74 1.062
assign (resid 193 and name HA)(resid 196 and name HN) 4.08 2.28 1.224
assign (resid 193 and name HB*)(resid 193 and name HN) 3.31 1.51 0.993
assign (resid 193 and name HB*)(resid 193 and name HN) 3.41 1.61 1.023
assign (resid 193 and name HN)(resid 190 and name HB*) 4.12 2.32 1.236
assign (resid 193 and name HN)(resid 190 and name HB*) 4.27 2.47 1.281
assign (resid 193 and name HN)(resid 191 and name HG2#) 4.56 2.76 1.368
assign (resid 193 and name HN)(resid 192 and name HA) 4.07 2.27 1.221
assign (resid 193 and name HN)(resid 192 and name HB*) 3.85 2.05 1.155
assign (resid 193 and name HN)(resid 192 and name HB*) 3.91 2.11 1.173
assign (resid 193 and name HN)(resid 192 and name HN) 3.55 1.75 1.065
assign (resid 193 and name HN)(resid 192cis and name HA) 3.55 1.75 1.065
assign (resid 193 and name HN)(resid 192cis and name HB*) 4.24 2.44 1.272
assign (resid 193 and name HN)(resid 192cis and name HB*) 4.36 2.56 1.308
assign (resid 193 and name HN)(resid 193 and name HA) 3.24 1.44 0.972
assign (resid 194 and name HB*)(resid 196 and name HN) 4.50 2.7 1.35
assign (resid 195 and name HA)(resid 195 and name HN) 2.91 1.11 0.873
assign (resid 195 and name HA)(resid 196 and name HN) 3.30 1.5 0.99
assign (resid 195 and name HB*)(resid 195 and name HN) 3.21 1.41 0.963
assign (resid 195 and name HB*)(resid 196 and name HN) 3.75 1.95 1.125
assign (resid 195 and name HB*)(resid 196 and name HN) 3.94 2.14 1.182
assign (resid 195 and name HN)(resid 193 and name HB*) 4.21 2.41 1.263
assign (resid 195 and name HN)(resid 193 and name HB*) 4.73 2.93 1.419
assign (resid 195 and name HN)(resid 194 and name HA) 3.32 1.52 0.996
assign (resid 195 and name HN)(resid 194 and name HB*) 3.18 1.38 0.954
assign (resid 195 and name HN)(resid 194 and name HD*) 3.72 1.92 1.116
assign (resid 195 and name HN)(resid 194 and name HG*) 3.56 1.76 1.068
assign (resid 195 and name HN)(resid 195 and name HB*) 2.89 1.09 0.867
assign (resid 195 and name HN)(resid 196 and name HA) 3.94 2.14 1.182
assign (resid 195 and name HN)(resid 196 and name HG2#) 3.79 1.99 1.137
assign (resid 196 and name HB*)(resid 196 and name HN) 3.27 1.47 0.981
assign (resid 196 and name HN)(resid 193 and name HB*) 3.75 1.95 1.125
assign (resid 196 and name HN)(resid 194 and name HB*) 4.45 2.65 1.335
assign (resid 196 and name HN)(resid 195 and name HN) 2.62 0.82 0.786
assign (resid 196 and name HN)(resid 196 and name HG2#) 3.52 1.72 1.056
assign (resid 197 and name HA)(resid 189 and name HE*) 3.73 1.93 1.119
assign (resid 197 and name HB*)(resid 189 and name HE*) 3.83 2.03 1.149
assign (resid 198 and name HD*)(resid 36 and name HD*) 3.0 1.2 0.9
assign (resid 198 and name HE*)(resid 36 and name HD*) 3.4 1.6 1.02
assign (resid 198 and name HA)(resid 198 and name HN) 3.39 1.59 1.017
assign (resid 198 and name HB*)(resid 198 and name HE*) 2.88 1.08 0.864
assign (resid 198 and name HB*)(resid 198 and name HE*) 2.89 1.09 0.867
assign (resid 198 and name HB*)(resid 198 and name HN) 2.68 0.88 0.804
assign (resid 198 and name HB*)(resid 199 and name HN) 3.78 1.98 1.134
assign (resid 198 and name HD*)(resid 190 and name HD*) 2.81 1.01 0.843
assign (resid 198 and name HD*)(resid 198 and name HE*) 2.23 0.43 0.669
assign (resid 198 and name HD*)(resid 199 and name HN) 4.02 2.22 1.206
assign (resid 198 and name HE*)(resid 188 and name HB*) 4.58 2.78 1.374
assign (resid 198 and name HE*)(resid 188 and name HG*) 3.70 1.9 1.11
assign (resid 198 and name HE*)(resid 188 and name HG*) 4.12 2.32 1.236
assign (resid 198 and name HE*)(resid 190 and name HB*) 3.91 2.11 1.173
assign (resid 198 and name HE*)(resid 190 and name HB*) 4.14 2.34 1.242
assign (resid 198 and name HE*)(resid 193 and name HB*) 3.79 1.99 1.137
assign (resid 198 and name HE*)(resid 193 and name HB*) 3.79 1.99 1.137
assign (resid 198 and name HE*)(resid 196 and name HB*) 3.82 2.02 1.146
assign (resid 198 and name HE*)(resid 196 and name HG2#) 3.56 1.76 1.068
assign (resid 198 and name HE*)(resid 198 and name HA) 4.08 2.28 1.224
assign (resid 198 and name HE*)(resid 198 and name HB*) 3.69 1.89 1.107
assign (resid 198 and name HE*)(resid 198 and name HB*) 3.93 2.13 1.179
assign (resid 198 and name HE1)(resid 198 and name HN) 4.15 2.35 1.245
assign (resid 198 and name HN)(resid 188 and name HB*) 3.77 1.97 1.131
assign (resid 198 and name HN)(resid 188 and name HN) 3.62 1.82 1.086
assign (resid 198 and name HN)(resid 189 and name HB*) 4.07 2.27 1.221
assign (resid 198 and name HN)(resid 190 and name HD*) 4.00 2.2 1.2
assign (resid 198 and name HN)(resid 198 and name HB*) 3.40 1.6 1.02
assign (resid 198 and name HN)(resid 198 and name HD*) 3.11 1.31 0.933
assign (resid 199 and name HA)(resid 187 and name HZ3) 3.79 1.99 1.137
assign (resid 199 and name HA)(resid 199 and name HN) 3.22 1.42 0.966
assign (resid 199 and name HB*)(resid 187 and name HZ3) 3.86 2.06 1.158
assign (resid 199 and name HB*)(resid 199 and name HN) 2.90 1.1 0.87
assign (resid 199 and name HB*)(resid 199 and name HN) 2.97 1.17 0.891
assign (resid 199 and name HG*)(resid 199 and name HN) 3.95 2.15 1.185
assign (resid 199 and name HG*)(resid 199 and name HN) 4.01 2.21 1.203
assign (resid 199 and name HG*)(resid 200 and name HN) 3.49 1.69 1.047
assign (resid 199 and name HG*)(resid 200 and name HN) 3.87 2.07 1.161
assign (resid 199 and name HN)(resid 198 and name HA) 2.58 0.78 0.774
assign (resid 199 and name HN)(resid 198 and name HB*) 3.46 1.66 1.038
assign (resid 199 and name HN)(resid 198 and name HN) 4.44 2.64 1.332
assign (resid 2 and name HA)(resid 15 and name HN) 3.85 2.05 1.155
assign (resid 2 and name HA)(resid 2 and name HN) 3.19 1.39 0.957
assign (resid 2 and name HA)(resid 3 and name HN) 2.36 0.56 0.708
assign (resid 2 and name HA)(resid 64 and name HN) 4.60 2.8 1.38
assign (resid 2 and name HB*)(resid 2 and name HN) 2.73 0.93 0.819
assign (resid 2 and name HG*)(resid 2 and name HN) 2.79 0.99 0.837
assign (resid 2 and name HG*)(resid 2 and name HN) 3.32 1.52 0.996
assign (resid 2 and name HG*)(resid 3 and name HN) 2.80 1 0.84
assign (resid 2 and name HG*)(resid 3 and name HN) 2.96 1.16 0.888
assign (resid 2 and name HG*)(resid 64 and name HN) 3.48 1.68 1.044
assign (resid 2 and name HG*)(resid 64 and name HN) 4.05 2.25 1.215
assign (resid 2 and name HN)(resid 1 and name HA) 2.48 0.68 0.744
assign (resid 2 and name HN)(resid 1 and name HB*) 3.49 1.69 1.047
assign (resid 2 and name HN)(resid 1 and name HD*) 3.35 1.55 1.005
assign (resid 2 and name HN)(resid 1 and name HG*) 2.96 1.16 0.888
assign (resid 2 and name HN)(resid 16 and name HN) 4.38 2.58 1.314
assign (resid 2 and name HN)(resid 3 and name HN) 3.84 2.04 1.152
assign (resid 2 and name HN)(resid 63 and name HB*) 3.90 2.1 1.17
assign (resid 2 and name HN)(resid 63 and name HB*) 4.14 2.34 1.242
assign (resid 2 and name HN)(resid 64 and name HN) 3.59 1.79 1.077
assign (resid 20 and name HA)(resid 20 and name HN) 3.22 1.42 0.966
assign (resid 20 and name HB*)(resid 20 and name HN) 3.05 1.25 0.915
assign (resid 20 and name HB*)(resid 20 and name HN) 3.33 1.53 0.999
assign (resid 20 and name HG*)(resid 20 and name HN) 3.20 1.4 0.96
assign (resid 20 and name HG*)(resid 21 and name HN) 3.32 1.52 0.996
assign (resid 20 and name HN)(resid 16 and name HB*) 3.85 2.05 1.155
assign (resid 20 and name HN)(resid 16 and name HB*) 4.06 2.26 1.218
assign (resid 20 and name HN)(resid 19 and name HA*) 3.17 1.37 0.951
assign (resid 20 and name HN)(resid 21 and name HA) 4.36 2.56 1.308
assign (resid 20 and name HN)(resid 21 and name HD*) 4.49 2.69 1.347
assign (resid 20 and name HN)(resid 46 and name HA) 3.85 2.05 1.155
assign (resid 200 and name HA)(resid 200 and name HN) 3.12 1.32 0.936
assign (resid 200 and name HB*)(resid 200 and name HN) 3.27 1.47 0.981
assign (resid 200 and name HB*)(resid 200 and name HN) 3.31 1.51 0.993
assign (resid 200 and name HB*)(resid 201 and name HN) 4.08 2.28 1.224
assign (resid 200 and name HB*)(resid 201 and name HN) 4.24 2.44 1.272
assign (resid 200 and name HN)(resid 186 and name HB*) 4.36 2.56 1.308
assign (resid 200 and name HN)(resid 186 and name HB*) 4.56 2.76 1.368
assign (resid 200 and name HN)(resid 186 and name HN) 3.36 1.56 1.008
assign (resid 200 and name HN)(resid 187 and name HA) 3.53 1.73 1.059
assign (resid 200 and name HN)(resid 199 and name HA) 2.61 0.81 0.783
assign (resid 200 and name HN)(resid 199 and name HN) 4.16 2.36 1.248
assign (resid 200 and name HN)(resid 200 and name HA) 2.56 0.76 0.768
assign (resid 201 and name HD*)(resid 202 and name HN) 3.34 1.54 1.002
assign (resid 201 and name HD*)(resid 203 and name HN) 4.05 2.25 1.215
assign (resid 201 and name HG*)(resid 201 and name HN) 3.55 1.75 1.065
assign (resid 201 and name HG*)(resid 202 and name HN) 3.54 1.74 1.062
assign (resid 201 and name HG*)(resid 202 and name HN) 3.59 1.79 1.077
assign (resid 201 and name HN)(resid 201 and name HB*) 3.18 1.38 0.954
assign (resid 201 and name HN)(resid 201 and name HB*) 3.18 1.38 0.954
assign (resid 201 and name HN)(resid 201 and name HD*) 3.20 1.4 0.96
assign (resid 202 and name HB*)(resid 202 and name HN) 2.35 0.55 0.705
assign (resid 202 and name HB*)(resid 203 and name HN) 3.39 1.59 1.017
assign (resid 202 and name HG*)(resid 202 and name HN) 3.29 1.49 0.987
assign (resid 202 and name HG*)(resid 203 and name HN) 3.53 1.73 1.059
assign (resid 202 and name HN)(resid 202 and name HA) 2.51 0.71 0.753
assign (resid 203 and name HA)(resid 203 and name HN) 2.59 0.79 0.777
assign (resid 203 and name HA)(resid 204 and name HN) 2.79 0.99 0.837
assign (resid 203 and name HB*)(resid 203 and name HN) 3.65 1.85 1.095
assign (resid 203 and name HB*)(resid 203 and name HN) 3.91 2.11 1.173
assign (resid 203 and name HB*)(resid 204 and name HN) 4.01 2.21 1.203
assign (resid 203 and name HB*)(resid 204 and name HN) 4.33 2.53 1.299
assign (resid 203 and name HG*)(resid 203 and name HN) 3.25 1.45 0.975
assign (resid 203 and name HG*)(resid 204 and name HN) 4.54 2.74 1.362
assign (resid 204 and name HA)(resid 204 and name HN) 3.37 1.57 1.011
assign (resid 204 and name HB*)(resid 204 and name HN) 3.59 1.79 1.077
assign (resid 204 and name HB*)(resid 204 and name HN) 4.07 2.27 1.221
assign (resid 204 and name HG*)(resid 204 and name HN) 3.88 2.08 1.164
assign (resid 204 and name HN)(resid 202 and name HG*) 4.34 2.54 1.302
assign (resid 204 and name HN)(resid 203 and name HN) 3.57 1.77 1.071
assign (resid 21 and name 1HD*)(resid 21 and name 1HD*) 1.81 0.01 0.543
assign (resid 21 and name 1HD*)(resid 22 and name HB*) 3.70 1.9 1.11
assign (resid 21 and name HA)(resid 21 and name HD*) 3.89 2.09 1.167
assign (resid 21 and name HA)(resid 21 and name HN) 3.01 1.21 0.903
assign (resid 21 and name HB*)(resid 21 and name HD*) 3.26 1.46 0.978
assign (resid 21 and name HB*)(resid 21 and name HN) 2.91 1.11 0.873
assign (resid 21 and name HB*)(resid 21 and name HN) 3.12 1.32 0.936
assign (resid 21 and name HB*)(resid 22 and name HN) 3.65 1.85 1.095
assign (resid 21 and name HB*)(resid 22 and name HN) 3.70 1.9 1.11
assign (resid 21 and name HD*)(resid 19 and name HA) 4.11 2.31 1.233
assign (resid 21 and name HD*)(resid 19 and name HA*) 3.88 2.08 1.164
assign (resid 21 and name HD*)(resid 19 and name HA*) 3.99 2.19 1.197
assign (resid 21 and name HD*)(resid 21 and name HB*) 2.81 1.01 0.843
assign (resid 21 and name HD*)(resid 21 and name HB*) 2.97 1.17 0.891
assign (resid 21 and name HD*)(resid 21 and name HB*) 3.04 1.24 0.912
assign (resid 21 and name HD*)(resid 21 and name HN) 3.70 1.9 1.11
assign (resid 21 and name HD*)(resid 21 and name HN) 3.96 2.16 1.188
assign (resid 21 and name HD*)(resid 22 and name HB*) 4.55 2.75 1.365
assign (resid 21 and name HN)(resid 20 and name HA) 2.52 0.72 0.756
assign (resid 21 and name HN)(resid 20 and name HB*) 4.02 2.22 1.206
assign (resid 21 and name HN)(resid 20 and name HB*) 4.15 2.35 1.245
assign (resid 21 and name HN)(resid 22 and name HG*) 4.38 2.58 1.314
assign (resid 21 and name HN)(resid 45 and name HN) 4.18 2.38 1.254
assign (resid 21 and name HN)(resid 46 and name HA) 2.85 1.05 0.855
assign (resid 21 and name HN)(resid 46 and name HB*) 3.04 1.24 0.912
assign (resid 22 and name HA)(resid 21 and name HD*) 3.95 2.15 1.185
assign (resid 22 and name HA)(resid 22 and name HN) 2.79 0.99 0.837
assign (resid 22 and name HA)(resid 23 and name HN) 2.41 0.61 0.723
assign (resid 22 and name HB*)(resid 22 and name HN) 2.94 1.14 0.882
assign (resid 22 and name HB*)(resid 22 and name HN) 3.12 1.32 0.936
assign (resid 22 and name HB*)(resid 23 and name HN) 3.39 1.59 1.017
assign (resid 22 and name HB*)(resid 23 and name HN) 4.39 2.59 1.317
assign (resid 22 and name HB*)(resid 45 and name HN) 3.42 1.62 1.026
assign (resid 22 and name HB*)(resid 45 and name HN) 4.27 2.47 1.281
assign (resid 22 and name HD*)(resid 48 and name HN) 2.61 0.81 0.783
assign (resid 22 and name HE*)(resid 21 and name HN) 4.11 2.31 1.233
assign (resid 22 and name HG*)(resid 22 and name HN) 3.29 1.49 0.987
assign (resid 22 and name HG*)(resid 22 and name HN) 3.57 1.77 1.071
assign (resid 22 and name HG*)(resid 23 and name HN) 2.99 1.19 0.897
assign (resid 22 and name HG*)(resid 23 and name HN) 3.23 1.43 0.969
assign (resid 22 and name HG*)(resid 60 and name HN) 3.41 1.61 1.023
assign (resid 22 and name HN)(resid 20 and name HA) 3.29 1.49 0.987
assign (resid 22 and name HN)(resid 20 and name HB*) 4.58 2.78 1.374
assign (resid 22 and name HN)(resid 21 and name HA) 2.48 0.68 0.744
assign (resid 22 and name HN)(resid 21 and name HN) 2.74 0.94 0.822
assign (resid 22 and name HN)(resid 23 and name HN) 3.76 1.96 1.128
assign (resid 22 and name HN)(resid 45 and name HA) 4.36 2.56 1.308
assign (resid 22 and name HN)(resid 45 and name HB*) 3.70 1.9 1.11
assign (resid 22 and name HN)(resid 45 and name HN) 3.01 1.21 0.903
assign (resid 22 and name HN)(resid 46 and name HA) 3.42 1.62 1.026
assign (resid 23 and name HA)(resid 23 and name HN) 3.18 1.38 0.954
assign (resid 23 and name HA)(resid 24 and name HN) 2.61 0.81 0.783
assign (resid 23 and name HA)(resid 43 and name HN) 4.02 2.22 1.206
assign (resid 23 and name HA)(resid 45 and name HN) 3.36 1.56 1.008
assign (resid 23 and name HA)(resid 60 and name HN) 4.40 2.6 1.32
assign (resid 23 and name HA)(resid 66 and name HN) 4.28 2.48 1.284
assign (resid 23 and name HB*)(resid 23 and name HN) 3.12 1.32 0.936
assign (resid 23 and name HB*)(resid 23 and name HN) 3.39 1.59 1.017
assign (resid 23 and name HB*)(resid 60 and name HN) 3.69 1.89 1.107
assign (resid 23 and name HB*)(resid 60 and name HN) 4.06 2.26 1.218
assign (resid 23 and name HB*)(resid 66 and name HN) 3.99 2.19 1.197
assign (resid 23 and name HN)(resid 22 and name HB*) 3.12 1.32 0.936
assign (resid 23 and name HN)(resid 24 and name HA) 4.26 2.46 1.278
assign (resid 23 and name HN)(resid 24 and name HN) 4.04 2.24 1.212
assign (resid 23 and name HN)(resid 59 and name HA) 3.98 2.18 1.194
assign (resid 24 and name HA)(resid 24 and name HN) 3.27 1.47 0.981
assign (resid 24 and name HA)(resid 25 and name HN) 2.50 0.7 0.75
assign (resid 24 and name HA)(resid 58 and name HN) 3.96 2.16 1.188
assign (resid 24 and name HA)(resid 59 and name HN) 4.09 2.29 1.227
assign (resid 24 and name HA)(resid 60 and name HN) 3.17 1.37 0.951
assign (resid 24 and name HB*)(resid 24 and name HE*) 3.28 1.48 0.984
assign (resid 24 and name HB*)(resid 24 and name HE*) 3.30 1.5 0.99
assign (resid 24 and name HB*)(resid 24 and name HN) 3.50 1.7 1.05
assign (resid 24 and name HB*)(resid 24 and name HN) 3.56 1.76 1.068
assign (resid 24 and name HB*)(resid 25 and name HN) 2.90 1.1 0.87
assign (resid 24 and name HB*)(resid 25 and name HN) 3.15 1.35 0.945
assign (resid 24 and name HD*)(resid 23 and name HA) 3.62 1.82 1.086
assign (resid 24 and name HD*)(resid 23 and name HN) 4.28 2.48 1.284
assign (resid 24 and name HD*)(resid 24 and name HA) 3.07 1.27 0.921
assign (resid 24 and name HD*)(resid 24 and name HB*) 2.57 0.77 0.771
assign (resid 24 and name HD*)(resid 24 and name HB*) 2.58 0.78 0.774
assign (resid 24 and name HD*)(resid 24 and name HN) 2.94 1.14 0.882
assign (resid 24 and name HD*)(resid 25 and name HA) 3.22 1.42 0.966
assign (resid 24 and name HD*)(resid 25 and name HN) 3.13 1.33 0.939
assign (resid 24 and name HD*)(resid 26 and name HA) 3.91 2.11 1.173
assign (resid 24 and name HD*)(resid 26 and name HB*) 2.97 1.17 0.891
assign (resid 24 and name HD*)(resid 26 and name HB*) 3.31 1.51 0.993
assign (resid 24 and name HD*)(resid 26 and name HE*) 3.14 1.34 0.942
assign (resid 24 and name HD*)(resid 26 and name HN) 3.63 1.83 1.089
assign (resid 24 and name HD*)(resid 41 and name HB*) 3.88 2.08 1.164
assign (resid 24 and name HD*)(resid 41 and name HB*) 3.93 2.13 1.179
assign (resid 24 and name HD*)(resid 41 and name HG*) 3.62 1.82 1.086
assign (resid 24 and name HD*)(resid 43 and name HA*) 3.69 1.89 1.107
assign (resid 24 and name HD*)(resid 43 and name HA*) 3.97 2.17 1.191
assign (resid 24 and name HD*)(resid 44 and name HN) 3.13 1.33 0.939
assign (resid 24 and name HD*)(resid 45 and name HA) 3.76 1.96 1.128
assign (resid 24 and name HD*)(resid 45 and name HB*) 2.43 0.63 0.729
assign (resid 24 and name HD*)(resid 45 and name HN) 4.17 2.37 1.251
assign (resid 24 and name HD*)(resid 57 and name HB*) 4.39 2.59 1.317
assign (resid 24 and name HD*)(resid 57 and name HG*) 3.24 1.44 0.972
assign (resid 24 and name HD*)(resid 57 and name HG*) 3.53 1.73 1.059
assign (resid 24 and name HD*)(resid 59 and name HA) 4.15 2.35 1.245
assign (resid 24 and name HE*)(resid 23 and name HA) 4.11 2.31 1.233
assign (resid 24 and name HE*)(resid 24 and name HA) 4.25 2.45 1.275
assign (resid 24 and name HE*)(resid 24 and name HD*) 1.98 0.18 0.594
assign (resid 24 and name HE*)(resid 24 and name HN) 3.90 2.1 1.17
assign (resid 24 and name HE*)(resid 26 and name HA) 4.26 2.46 1.278
assign (resid 24 and name HE*)(resid 26 and name HB*) 2.98 1.18 0.894
assign (resid 24 and name HE*)(resid 26 and name HB*) 3.07 1.27 0.921
assign (resid 24 and name HE*)(resid 26 and name HD*) 2.93 1.13 0.879
assign (resid 24 and name HE*)(resid 41 and name HB*) 3.08 1.28 0.924
assign (resid 24 and name HE*)(resid 41 and name HB*) 3.11 1.31 0.933
assign (resid 24 and name HE*)(resid 41 and name HG*) 3.02 1.22 0.906
assign (resid 24 and name HE*)(resid 43 and name HA*) 3.06 1.26 0.918
assign (resid 24 and name HE*)(resid 43 and name HA*) 3.40 1.6 1.02
assign (resid 24 and name HE*)(resid 44 and name HN) 3.86 2.06 1.158
assign (resid 24 and name HE*)(resid 45 and name HB*) 2.76 0.96 0.828
assign (resid 24 and name HE*)(resid 57 and name HG*) 3.88 2.08 1.164
assign (resid 24 and name HN)(resid 23 and name HB*) 3.16 1.36 0.948
assign (resid 24 and name HN)(resid 23 and name HB*) 3.48 1.68 1.044
assign (resid 24 and name HN)(resid 25 and name HA) 4.46 2.66 1.338
assign (resid 24 and name HN)(resid 43 and name HN) 3.16 1.36 0.948
assign (resid 24 and name HN)(resid 44 and name HA) 3.62 1.82 1.086
assign (resid 24 and name HN)(resid 66 and name HB*) 3.98 2.18 1.194
assign (resid 25 and name HA)(resid 25 and name HE*) 4.20 2.4 1.26
assign (resid 25 and name HA)(resid 25 and name HN) 3.22 1.42 0.966
assign (resid 25 and name HA)(resid 26 and name HN) 2.58 0.78 0.774
assign (resid 25 and name HA)(resid 43 and name HN) 3.73 1.93 1.119
assign (resid 25 and name HB*)(resid 25 and name HN) 3.17 1.37 0.951
assign (resid 25 and name HB*)(resid 26 and name HN) 3.71 1.91 1.113
assign (resid 25 and name HD*)(resid 25 and name HE*) 3.37 1.57 1.011
assign (resid 25 and name HD*)(resid 25 and name HN) 4.31 2.51 1.293
assign (resid 25 and name HE*)(resid 25 and name HB*) 3.45 1.65 1.035
assign (resid 25 and name HE*)(resid 25 and name HG*) 3.57 1.77 1.071
assign (resid 25 and name HE*)(resid 27 and name HG*) 4.15 2.35 1.245
assign (resid 25 and name HG*)(resid 25 and name HE*) 3.21 1.41 0.963
assign (resid 25 and name HG*)(resid 25 and name HN) 3.53 1.73 1.059
assign (resid 25 and name HG*)(resid 25 and name HN) 4.12 2.32 1.236
assign (resid 25 and name HG*)(resid 26 and name HN) 3.82 2.02 1.146
assign (resid 25 and name HN)(resid 24 and name HE*) 4.28 2.48 1.284
assign (resid 25 and name HN)(resid 26 and name HA) 4.61 2.81 1.383
assign (resid 25 and name HN)(resid 26 and name HN) 4.14 2.34 1.242
assign (resid 25 and name HN)(resid 42 and name HD*) 3.91 2.11 1.173
assign (resid 25 and name HN)(resid 57 and name HG*) 3.60 1.8 1.08
assign (resid 25 and name HN)(resid 58 and name HG2#) 3.77 1.97 1.131
assign (resid 25 and name HN)(resid 66 and name HB*) 4.39 2.59 1.317
assign (resid 26 and name HA)(resid 26 and name HN) 3.36 1.56 1.008
assign (resid 26 and name HA)(resid 27 and name HN) 2.54 0.74 0.762
assign (resid 26 and name HA)(resid 28 and name HN) 4.63 2.83 1.389
assign (resid 26 and name HA)(resid 28 and name HZ3) 4.41 2.61 1.323
assign (resid 26 and name HA)(resid 56 and name HN) 4.03 2.23 1.209
assign (resid 26 and name HA)(resid 58 and name HN) 3.39 1.59 1.017
assign (resid 26 and name HB*)(resid 26 and name HN) 3.31 1.51 0.993
assign (resid 26 and name HB*)(resid 26 and name HN) 3.32 1.52 0.996
assign (resid 26 and name HB*)(resid 28 and name HZ3) 3.45 1.65 1.035
assign (resid 26 and name HB*)(resid 28 and name HZ3) 3.60 1.8 1.08
assign (resid 26 and name HD*)(resid 27 and name HN) 3.76 1.96 1.128
assign (resid 26 and name HD*)(resid 28 and name HZ3) 3.07 1.27 0.921
assign (resid 26 and name HE*)(resid 26 and name HN) 4.44 2.64 1.332
assign (resid 26 and name HG*)(resid 27 and name HN) 3.41 1.61 1.023
assign (resid 26 and name HN)(resid 26 and name HD*) 3.92 2.12 1.176
assign (resid 26 and name HN)(resid 26 and name HG*) 3.57 1.77 1.071
assign (resid 26 and name HN)(resid 40 and name HA) 4.18 2.38 1.254
assign (resid 26 and name HN)(resid 40 and name HG*) 4.02 2.22 1.206
assign (resid 26 and name HN)(resid 40 and name HG*) 4.45 2.65 1.335
assign (resid 26 and name HN)(resid 41 and name HG*) 3.82 2.02 1.146
assign (resid 26 and name HN)(resid 41 and name HN) 3.21 1.41 0.963
assign (resid 26 and name HN)(resid 42 and name HD*) 3.26 1.46 0.978
assign (resid 27 and name HA)(resid 28 and name HN) 2.55 0.75 0.765
assign (resid 27 and name HA)(resid 28 and name HZ3) 4.32 2.52 1.296
assign (resid 27 and name HA)(resid 39 and name HN) 4.04 2.24 1.212
assign (resid 27 and name HB*)(resid 27 and name HN) 3.22 1.42 0.966
assign (resid 27 and name HG*)(resid 27 and name HN) 3.59 1.79 1.077
assign (resid 27 and name HG*)(resid 27 and name HN) 3.62 1.82 1.086
assign (resid 27 and name HG*)(resid 28 and name HN) 3.80 2 1.14
assign (resid 27 and name HG*)(resid 28 and name HN) 4.15 2.35 1.245
assign (resid 27 and name HN)(resid 26 and name HB*) 3.85 2.05 1.155
assign (resid 27 and name HN)(resid 27 and name HA) 3.36 1.56 1.008
assign (resid 27 and name HN)(resid 28 and name HE3) 3.83 2.03 1.149
assign (resid 27 and name HN)(resid 28 and name HN) 4.18 2.38 1.254
assign (resid 27 and name HN)(resid 55 and name HA) 4.03 2.23 1.209
assign (resid 27 and name HN)(resid 57 and name HA) 3.38 1.58 1.014
assign (resid 27 and name HN)(resid 57 and name HB*) 3.96 2.16 1.188
assign (resid 27 and name HN)(resid 57 and name HN) 4.61 2.81 1.383
assign (resid 28 and name HA)(resid 28 and name HE3) 3.59 1.79 1.077
assign (resid 28 and name HA)(resid 29 and name HN) 2.50 0.7 0.75
assign (resid 28 and name HB*)(resid 28 and name HE1) 4.11 2.31 1.233
assign (resid 28 and name HB*)(resid 28 and name HN) 3.87 2.07 1.161
assign (resid 28 and name HB*)(resid 28 and name HN) 3.96 2.16 1.188
assign (resid 28 and name HB*)(resid 28 and name HZ3) 4.44 2.64 1.332
assign (resid 28 and name HB*)(resid 28 and name HZ3) 4.48 2.68 1.344
assign (resid 28 and name HB*)(resid 29 and name HN) 3.18 1.38 0.954
assign (resid 28 and name HD*)(resid 28 and name HA) 3.23 1.43 0.969
assign (resid 28 and name HD*)(resid 28 and name HB*) 2.67 0.87 0.801
assign (resid 28 and name HD*)(resid 28 and name HB*) 2.91 1.11 0.873
assign (resid 28 and name HD*)(resid 28 and name HN) 3.95 2.15 1.185
assign (resid 28 and name HD*)(resid 29 and name HN) 3.52 1.72 1.056
assign (resid 28 and name HD*)(resid 30 and name HA) 4.37 2.57 1.311
assign (resid 28 and name HD*)(resid 30 and name HB*) 3.70 1.9 1.11
assign (resid 28 and name HD*)(resid 39 and name HB*) 3.45 1.65 1.035
assign (resid 28 and name HD*)(resid 39 and name HG*) 3.78 1.98 1.134
assign (resid 28 and name HD*)(resid 39 and name HG*) 3.84 2.04 1.152
assign (resid 28 and name HD*)(resid 55 and name HG*) 3.96 2.16 1.188
assign (resid 28 and name HE1)(resid 28 and name HB*) 4.39 2.59 1.317
assign (resid 28 and name HE1)(resid 30 and name HA) 4.50 2.7 1.35
assign (resid 28 and name HE1)(resid 30 and name HB*) 3.65 1.85 1.095
assign (resid 28 and name HE3)(resid 26 and name HA) 4.19 2.39 1.257
assign (resid 28 and name HE3)(resid 26 and name HB*) 4.00 2.2 1.2
assign (resid 28 and name HE3)(resid 26 and name HD*) 3.96 2.16 1.188
assign (resid 28 and name HE3)(resid 26 and name HD*) 4.05 2.25 1.215
assign (resid 28 and name HE3)(resid 28 and name HB*) 3.11 1.31 0.933
assign (resid 28 and name HE3)(resid 28 and name HB*) 3.21 1.41 0.963
assign (resid 28 and name HE3)(resid 29 and name HN) 4.15 2.35 1.245
assign (resid 28 and name HE3)(resid 39 and name HB*) 4.32 2.52 1.296
assign (resid 28 and name HE3)(resid 39 and name HG*) 3.59 1.79 1.077
assign (resid 28 and name HE3)(resid 39 and name HG*) 4.06 2.26 1.218
assign (resid 28 and name HE3)(resid 41 and name HG*) 4.13 2.33 1.239
assign (resid 28 and name HE3)(resid 41 and name HN) 4.33 2.53 1.299
assign (resid 28 and name HE3)(resid 55 and name HG*) 3.49 1.69 1.047
assign (resid 28 and name HH2)(resid 26 and name HB*) 4.57 2.77 1.371
assign (resid 28 and name HH2)(resid 26 and name HD*) 4.00 2.2 1.2
assign (resid 28 and name HH2)(resid 39 and name HB*) 4.21 2.41 1.263
assign (resid 28 and name HH2)(resid 39 and name HG*) 3.19 1.39 0.957
assign (resid 28 and name HH2)(resid 41 and name HA) 4.44 2.64 1.332
assign (resid 28 and name HH2)(resid 41 and name HB*) 3.89 2.09 1.167
assign (resid 28 and name HH2)(resid 41 and name HG*) 3.33 1.53 0.999
assign (resid 28 and name HN)(resid 27 and name HB*) 3.15 1.35 0.945
assign (resid 28 and name HN)(resid 28 and name HE3) 3.15 1.35 0.945
assign (resid 28 and name HN)(resid 28 and name HZ3) 4.50 2.7 1.35
assign (resid 28 and name HN)(resid 29 and name HN) 4.07 2.27 1.221
assign (resid 28 and name HN)(resid 38 and name HG*) 3.19 1.39 0.957
assign (resid 28 and name HN)(resid 38 and name HG*) 3.33 1.53 0.999
assign (resid 28 and name HN)(resid 38 and name HG*) 4.28 2.48 1.284
assign (resid 28 and name HN)(resid 39 and name HN) 3.16 1.36 0.948
assign (resid 28 and name HN)(resid 40 and name HA) 3.91 2.11 1.173
assign (resid 28 and name HN)(resid 40 and name HG*) 4.63 2.83 1.389
assign (resid 28 and name HZ2)(resid 39 and name HG*) 3.98 2.18 1.194
assign (resid 28 and name HZ2)(resid 41 and name HG*) 4.40 2.6 1.32
assign (resid 29 and name HA)(resid 28 and name HD*) 3.99 2.19 1.197
assign (resid 29 and name HA)(resid 28 and name HN) 4.34 2.54 1.302
assign (resid 29 and name HA)(resid 29 and name HN) 3.27 1.47 0.981
assign (resid 29 and name HA)(resid 30 and name HN) 3.05 1.25 0.915
assign (resid 29 and name HA)(resid 38 and name HN) 4.28 2.48 1.284
assign (resid 29 and name HA)(resid 39 and name HN) 3.40 1.6 1.02
assign (resid 29 and name HB*)(resid 29 and name HN) 2.69 0.89 0.807
assign (resid 29 and name HB*)(resid 29 and name HN) 2.76 0.96 0.828
assign (resid 29 and name HB*)(resid 30 and name HN) 4.19 2.39 1.257
assign (resid 29 and name HN)(resid 38 and name HG*) 4.13 2.33 1.239
assign (resid 29 and name HN)(resid 55 and name HA) 4.12 2.32 1.236
assign (resid 3 and name HA)(resid 3 and name HN) 3.13 1.33 0.939
assign (resid 3 and name HA)(resid 4 and name HN) 2.63 0.83 0.789
assign (resid 3 and name HA)(resid 64 and name HN) 3.07 1.27 0.921
assign (resid 3 and name HA)(resid 66 and name HD*) 3.83 2.03 1.149
assign (resid 3 and name HB*)(resid 3 and name HN) 3.07 1.27 0.921
assign (resid 3 and name HB*)(resid 3 and name HN) 3.42 1.62 1.026
assign (resid 3 and name HB*)(resid 4 and name HN) 3.44 1.64 1.032
assign (resid 3 and name HB*)(resid 64 and name HN) 4.48 2.68 1.344
assign (resid 3 and name HN)(resid 14 and name HN) 3.19 1.39 0.957
assign (resid 3 and name HN)(resid 4 and name HN) 4.09 2.29 1.227
assign (resid 3 and name HN)(resid 64 and name HN) 4.37 2.57 1.311
assign (resid 30 and name HA)(resid 30 and name HN) 3.84 2.04 1.152
assign (resid 30 and name HA)(resid 31 and name HN) 2.89 1.09 0.867
assign (resid 30 and name HB*)(resid 30 and name HN) 4.36 2.56 1.308
assign (resid 30 and name HN)(resid 29 and name HB*) 4.01 2.21 1.203
assign (resid 30 and name HN)(resid 29 and name HN) 4.63 2.83 1.389
assign (resid 30 and name HN)(resid 33 and name HN) 4.26 2.46 1.278
assign (resid 30 and name HN)(resid 38 and name HA) 4.35 2.55 1.305
assign (resid 30 and name HN)(resid 39 and name HB*) 3.99 2.19 1.197
assign (resid 30 and name HN)(resid 39 and name HN) 4.31 2.51 1.293
assign (resid 31 and name HA)(resid 32 and name HN) 3.63 1.83 1.089
assign (resid 31 and name HA)(resid 33 and name HN) 3.77 1.97 1.131
assign (resid 31 and name HB*)(resid 31 and name HN) 2.49 0.69 0.747
assign (resid 31 and name HB*)(resid 32 and name HD*) 3.33 1.53 0.999
assign (resid 31 and name HB*)(resid 32 and name HN) 3.38 1.58 1.014
assign (resid 31 and name HN)(resid 30 and name HB*) 3.05 1.25 0.915
assign (resid 31 and name HN)(resid 32 and name HN) 3.48 1.68 1.044
assign (resid 31 and name HN)(resid 33 and name HN) 4.43 2.63 1.329
assign (resid 32 and name HA)(resid 32 and name HD*) 3.06 1.26 0.918
assign (resid 32 and name HA)(resid 32 and name HE*) 3.81 2.01 1.143
assign (resid 32 and name HA)(resid 32 and name HN) 3.51 1.71 1.053
assign (resid 32 and name HA)(resid 33 and name HN) 3.49 1.69 1.047
assign (resid 32 and name HB*)(resid 32 and name HD*) 3.11 1.31 0.933
assign (resid 32 and name HB*)(resid 32 and name HD*) 3.16 1.36 0.948
assign (resid 32 and name HB*)(resid 32 and name HN) 3.67 1.87 1.101
assign (resid 32 and name HB*)(resid 33 and name HN) 4.09 2.29 1.227
assign (resid 32 and name HD*)(resid 32 and name HN) 3.36 1.56 1.008
assign (resid 32 and name HN)(resid 192 and name HB*) 4.39 2.59 1.317
assign (resid 32 and name HN)(resid 192 and name HB*) 4.43 2.63 1.329
assign (resid 32 and name HN)(resid 30 and name HA) 4.31 2.51 1.293
assign (resid 32 and name HN)(resid 32 and name HB*) 3.32 1.52 0.996
assign (resid 32 and name HN)(resid 33 and name HB*) 4.22 2.42 1.266
assign (resid 32 and name HN)(resid 33 and name HB*) 4.62 2.82 1.386
assign (resid 33 and name HA)(resid 33 and name HN) 2.97 1.17 0.891
assign (resid 33 and name HB*)(resid 33 and name HN) 2.71 0.91 0.813
assign (resid 33 and name HB*)(resid 33 and name HN) 2.89 1.09 0.867
assign (resid 33 and name HN)(resid 29 and name HA) 4.01 2.21 1.203
assign (resid 33 and name HN)(resid 29 and name HB*) 3.58 1.78 1.074
assign (resid 33 and name HN)(resid 31 and name HB*) 3.92 2.12 1.176
assign (resid 33 and name HN)(resid 32 and name HB*) 4.55 2.75 1.365
assign (resid 33 and name HN)(resid 32 and name HN) 3.10 1.3 0.93
assign (resid 33 and name HN)(resid 34 and name HN) 3.68 1.88 1.104
assign (resid 34 and name HA)(resid 34 and name HN) 3.17 1.37 0.951
assign (resid 34 and name HA)(resid 35 and name HN) 3.60 1.8 1.08
assign (resid 34 and name HB*)(resid 34 and name HN) 2.56 0.76 0.768
assign (resid 34 and name HB*)(resid 34 and name HN) 3.32 1.52 0.996
assign (resid 34 and name HB*)(resid 35 and name HN) 4.07 2.27 1.221
assign (resid 34 and name HN)(resid 33 and name HA) 3.91 2.11 1.173
assign (resid 35 and name HA)(resid 35 and name HN) 3.18 1.38 0.954
assign (resid 35 and name HB*)(resid 35 and name HN) 3.57 1.77 1.071
assign (resid 35 and name HB*)(resid 35 and name HN) 3.76 1.96 1.128
assign (resid 35 and name HB*)(resid 36 and name HN) 4.08 2.28 1.224
assign (resid 35 and name HB*)(resid 36 and name HN) 4.10 2.3 1.23
assign (resid 35 and name HN)(resid 33 and name HA) 4.33 2.53 1.299
assign (resid 35 and name HN)(resid 34 and name HB*) 4.03 2.23 1.209
assign (resid 35 and name HN)(resid 34 and name HN) 3.32 1.52 0.996
assign (resid 35 and name HN)(resid 36 and name HN) 2.96 1.16 0.888
assign (resid 36 and name HN)(resid 32 and name HB*) 4.27 2.47 1.281
assign (resid 36 and name HN)(resid 32 and name HB*) 4.27 2.47 1.281
assign (resid 36 and name HN)(resid 35 and name HA) 3.85 2.05 1.155
assign (resid 36 and name HN)(resid 36 and name HB*) 3.58 1.78 1.074
assign (resid 36 and name HN)(resid 36 and name HD*) 3.65 1.85 1.095
assign (resid 37 and name HA*)(resid 37 and name HN) 2.95 1.15 0.885
assign (resid 37 and name HA*)(resid 38 and name HN) 2.85 1.05 0.855
assign (resid 37 and name HA*)(resid 38 and name HN) 2.88 1.08 0.864
assign (resid 37 and name HN)(resid 35 and name HN) 3.70 1.9 1.11
assign (resid 37 and name HN)(resid 36 and name HA) 3.85 2.05 1.155
assign (resid 37 and name HN)(resid 36 and name HN) 3.02 1.22 0.906
assign (resid 37 and name HN)(resid 37 and name HA*) 3.25 1.45 0.975
assign (resid 37 and name HN)(resid 38 and name HN) 3.78 1.98 1.134
assign (resid 38 and name HA)(resid 29 and name HN) 4.36 2.56 1.308
assign (resid 38 and name HA)(resid 39 and name HN) 2.60 0.8 0.78
assign (resid 38 and name HB*)(resid 38 and name HN) 2.88 1.08 0.864
assign (resid 38 and name HB*)(resid 38 and name HN) 2.93 1.13 0.879
assign (resid 38 and name HD*)(resid 29 and name HN) 4.64 2.84 1.392
assign (resid 38 and name HD*)(resid 39 and name HN) 3.90 2.1 1.17
assign (resid 38 and name HG*)(resid 29 and name HN) 4.09 2.29 1.227
assign (resid 38 and name HG*)(resid 38 and name HN) 3.33 1.53 0.999
assign (resid 38 and name HG*)(resid 39 and name HN) 3.20 1.4 0.96
assign (resid 38 and name HG*)(resid 39 and name HN) 3.41 1.61 1.023
assign (resid 38 and name HG*)(resid 39 and name HN) 3.67 1.87 1.101
assign (resid 38 and name HN)(resid 190 and name HA) 4.52 2.72 1.356
assign (resid 38 and name HN)(resid 191 and name HN) 3 1.2 0.9
assign (resid 38 and name HN)(resid 38 and name HA) 2.72 0.92 0.816
assign (resid 38 and name HN)(resid 38 and name HD*) 3.27 1.47 0.981
assign (resid 38 and name HN)(resid 39 and name HN) 4.01 2.21 1.203
assign (resid 39 and name HA)(resid 28 and name HE1) 4.29 2.49 1.287
assign (resid 39 and name HA)(resid 39 and name HN) 3.31 1.51 0.993
assign (resid 39 and name HA)(resid 40 and name HN) 2.65 0.85 0.795
assign (resid 39 and name HB*)(resid 28 and name HE1) 3.23 1.43 0.969
assign (resid 39 and name HB*)(resid 28 and name HN) 3.72 1.92 1.116
assign (resid 39 and name HB*)(resid 28 and name HZ2) 3.48 1.68 1.044
assign (resid 39 and name HB*)(resid 28 and name HZ3) 4.47 2.67 1.341
assign (resid 39 and name HB*)(resid 39 and name HN) 2.63 0.83 0.789
assign (resid 39 and name HB*)(resid 40 and name HN) 3.68 1.88 1.104
assign (resid 39 and name HG*)(resid 191 and name HN) 4.34 2.54 1.302
assign (resid 39 and name HG*)(resid 28 and name HE1) 3.31 1.51 0.993
assign (resid 39 and name HG*)(resid 28 and name HE1) 3.96 2.16 1.188
assign (resid 39 and name HG*)(resid 28 and name HN) 3.23 1.43 0.969
assign (resid 39 and name HG*)(resid 28 and name HN) 3.74 1.94 1.122
assign (resid 39 and name HG*)(resid 28 and name HZ2) 2.83 1.03 0.849
assign (resid 39 and name HG*)(resid 28 and name HZ3) 3.66 1.86 1.098
assign (resid 39 and name HG*)(resid 39 and name HN) 2.78 0.98 0.834
assign (resid 39 and name HG*)(resid 39 and name HN) 3.30 1.5 0.99
assign (resid 39 and name HG*)(resid 40 and name HN) 2.81 1.01 0.843
assign (resid 39 and name HG*)(resid 40 and name HN) 4.09 2.29 1.227
assign (resid 39 and name HG*)(resid 41 and name HN) 4.06 2.26 1.218
assign (resid 39 and name HN)(resid 28 and name HA) 4.42 2.62 1.326
assign (resid 39 and name HN)(resid 28 and name HE1) 4.59 2.79 1.377
assign (resid 39 and name HN)(resid 29 and name HB*) 4.48 2.68 1.344
assign (resid 39 and name HN)(resid 29 and name HB*) 4.54 2.74 1.362
assign (resid 39 and name HN)(resid 29 and name HN) 4.54 2.74 1.362
assign (resid 4 and name HA)(resid 4 and name HN) 3.31 1.51 0.993
assign (resid 4 and name HA)(resid 66 and name HD*) 4.20 2.4 1.26
assign (resid 4 and name HB*)(resid 4 and name HN) 3.24 1.44 0.972
assign (resid 4 and name HD*)(resid 13 and name HA) 3.59 1.79 1.077
assign (resid 4 and name HD*)(resid 4 and name HB*) 2.93 1.13 0.879
assign (resid 4 and name HD*)(resid 4 and name HB*) 3.13 1.33 0.939
assign (resid 4 and name HD*)(resid 4 and name HN) 3.23 1.43 0.969
assign (resid 4 and name HD*)(resid 64 and name HA) 2.88 1.08 0.864
assign (resid 4 and name HD*)(resid 64 and name HB*) 4.24 2.44 1.272
assign (resid 4 and name HD*)(resid 64 and name HD*) 3.41 1.61 1.023
assign (resid 4 and name HD*)(resid 64 and name HG*) 3.81 2.01 1.143
assign (resid 4 and name HD*)(resid 65 and name HA) 3.94 2.14 1.182
assign (resid 4 and name HD*)(resid 66 and name HN) 2.87 1.07 0.861
assign (resid 4 and name HN)(resid 2 and name HG*) 4.34 2.54 1.302
assign (resid 4 and name HN)(resid 23 and name HB*) 4.32 2.52 1.296
assign (resid 4 and name HN)(resid 64 and name HN) 4.04 2.24 1.212
assign (resid 4 and name HN)(resid 66 and name 1HD*) 3.21 1.41 0.963
assign (resid 4 and name HN)(resid 66 and name 2HD*) 3.64 1.84 1.092
assign (resid 40 and name HA)(resid 40 and name HN) 3.37 1.57 1.011
assign (resid 40 and name HA)(resid 41 and name HN) 2.55 0.75 0.765
assign (resid 40 and name HB*)(resid 40 and name HN) 3.02 1.22 0.906
assign (resid 40 and name HB*)(resid 41 and name HN) 3.82 2.02 1.146
assign (resid 40 and name HG*)(resid 191 and name HN) 3.20 1.4 0.96
assign (resid 40 and name HG*)(resid 191 and name HN) 4.08 2.28 1.224
assign (resid 40 and name HG*)(resid 192 and name HN) 3.56 1.76 1.068
assign (resid 40 and name HG*)(resid 25 and name HE*) 4.35 2.55 1.305
assign (resid 40 and name HG*)(resid 40 and name HN) 3.24 1.44 0.972
assign (resid 40 and name HG*)(resid 40 and name HN) 3.35 1.55 1.005
assign (resid 40 and name HG*)(resid 41 and name HN) 3.25 1.45 0.975
assign (resid 40 and name HG*)(resid 41 and name HN) 3.38 1.58 1.014
assign (resid 40 and name HG*)(resid 42 and name HN) 4.03 2.23 1.209
assign (resid 40 and name HN)(resid 189 and name HB*) 4.07 2.27 1.221
assign (resid 40 and name HN)(resid 189 and name HB*) 4.15 2.35 1.245
assign (resid 40 and name HN)(resid 189 and name HN) 4.38 2.58 1.314
assign (resid 40 and name HN)(resid 190 and name HA) 3.35 1.55 1.005
assign (resid 40 and name HN)(resid 191 and name HN) 3.98 2.18 1.194
assign (resid 40 and name HN)(resid 39 and name HN) 3.97 2.17 1.191
assign (resid 40 and name HN)(resid 41 and name HN) 4.22 2.42 1.266
assign (resid 41 and name HA)(resid 26 and name HN) 4.60 2.8 1.38
assign (resid 41 and name HA)(resid 41 and name HN) 3.37 1.57 1.011
assign (resid 41 and name HA)(resid 42 and name HN) 2.69 0.89 0.807
assign (resid 41 and name HB*)(resid 28 and name HZ3) 3.48 1.68 1.044
assign (resid 41 and name HB*)(resid 41 and name HN) 3.94 2.14 1.182
assign (resid 41 and name HB*)(resid 42 and name HN) 3.76 1.96 1.128
assign (resid 41 and name HB*)(resid 42 and name HN) 3.86 2.06 1.158
assign (resid 41 and name HG*)(resid 28 and name HZ3) 3.08 1.28 0.924
assign (resid 41 and name HG*)(resid 41 and name HN) 3.11 1.31 0.933
assign (resid 41 and name HN)(resid 24 and name HE*) 4.37 2.57 1.311
assign (resid 41 and name HN)(resid 26 and name HB*) 4.02 2.22 1.206
assign (resid 41 and name HN)(resid 26 and name HD*) 4.28 2.48 1.284
assign (resid 41 and name HN)(resid 27 and name HA) 3.33 1.53 0.999
assign (resid 41 and name HN)(resid 27 and name HB*) 4.46 2.66 1.338
assign (resid 41 and name HN)(resid 28 and name HH2) 4.56 2.76 1.368
assign (resid 41 and name HN)(resid 28 and name HZ3) 3.87 2.07 1.161
assign (resid 42 and name HA)(resid 26 and name HN) 3.69 1.89 1.107
assign (resid 42 and name HA)(resid 42 and name HN) 3.56 1.76 1.068
assign (resid 42 and name HA)(resid 43 and name HN) 2.57 0.77 0.771
assign (resid 42 and name HA)(resid 66 and name HD*) 3.75 1.95 1.125
assign (resid 42 and name HB*)(resid 42 and name HN) 3.54 1.74 1.062
assign (resid 42 and name HB*)(resid 42 and name HN) 3.73 1.93 1.119
assign (resid 42 and name HD*)(resid 42 and name HN) 3.69 1.89 1.107
assign (resid 42 and name HD*)(resid 42 and name HN) 3.76 1.96 1.128
assign (resid 42 and name HD*)(resid 43 and name HN) 3.31 1.51 0.993
assign (resid 42 and name HD*)(resid 43 and name HN) 3.90 2.1 1.17
assign (resid 42 and name HD*)(resid 68 and name HN) 2.93 1.13 0.879
assign (resid 42 and name HD*)(resid 68 and name HN) 3.98 2.18 1.194
assign (resid 42 and name HG*)(resid 189 and name HD*) 4.15 2.35 1.245
assign (resid 42 and name HG*)(resid 25 and name HE*) 3.70 1.9 1.11
assign (resid 42 and name HG*)(resid 41 and name HN) 3.95 2.15 1.185
assign (resid 42 and name HG*)(resid 42 and name HN) 3.40 1.6 1.02
assign (resid 42 and name HN)(resid 24 and name HE*) 4.43 2.63 1.329
assign (resid 42 and name HN)(resid 41 and name HG*) 3.80 2 1.14
assign (resid 42 and name HN)(resid 41 and name HN) 4.45 2.65 1.335
assign (resid 42 and name HN)(resid 5 and name HA) 3.98 2.18 1.194
assign (resid 42 and name HN)(resid 6 and name HB*) 4.21 2.41 1.263
assign (resid 42 and name HN)(resid 6 and name HN) 3.49 1.69 1.047
assign (resid 43 and name HA*)(resid 44 and name HN) 2.62 0.82 0.786
assign (resid 43 and name HA*)(resid 44 and name HN) 2.79 0.99 0.837
assign (resid 43 and name HN)(resid 24 and name HA) 4.39 2.59 1.317
assign (resid 43 and name HN)(resid 42 and name HB*) 3.37 1.57 1.011
assign (resid 43 and name HN)(resid 42 and name HB*) 3.57 1.77 1.071
assign (resid 43 and name HN)(resid 42 and name HD*) 4.01 2.21 1.203
assign (resid 43 and name HN)(resid 42 and name HN) 4.27 2.47 1.281
assign (resid 43 and name HN)(resid 43 and name HA) 3.11 1.31 0.933
assign (resid 43 and name HN)(resid 43 and name HA*) 3.17 1.37 0.951
assign (resid 43 and name HN)(resid 44 and name HN) 3.86 2.06 1.158
assign (resid 43 and name HN)(resid 66 and name HD*) 2.97 1.17 0.891
assign (resid 43 and name HN)(resid 66 and name HD*) 3.23 1.43 0.969
assign (resid 44 and name HA)(resid 22 and name HN) 4.12 2.32 1.236
assign (resid 44 and name HA)(resid 44 and name HN) 3.11 1.31 0.933
assign (resid 44 and name HA)(resid 45 and name HN) 2.44 0.64 0.732
assign (resid 44 and name HB*)(resid 44 and name HN) 2.88 1.08 0.864
assign (resid 44 and name HB*)(resid 44 and name HN) 3.24 1.44 0.972
assign (resid 44 and name HB*)(resid 45 and name HN) 3.16 1.36 0.948
assign (resid 44 and name HN)(resid 23 and name HA) 4.36 2.56 1.308
assign (resid 44 and name HN)(resid 45 and name HN) 3.94 2.14 1.182
assign (resid 45 and name HA)(resid 45 and name HN) 2.91 1.11 0.873
assign (resid 45 and name HA)(resid 46 and name HN) 2.32 0.52 0.696
assign (resid 45 and name HA)(resid 47 and name HN) 3.23 1.43 0.969
assign (resid 45 and name HB*)(resid 45 and name HN) 2.70 0.9 0.81
assign (resid 45 and name HB*)(resid 46 and name HN) 2.61 0.81 0.783
assign (resid 45 and name HB*)(resid 47 and name HN) 2.71 0.91 0.813
assign (resid 45 and name HB*)(resid 48 and name HN) 3.53 1.73 1.059
assign (resid 45 and name HN)(resid 20 and name HB*) 4.55 2.75 1.365
assign (resid 45 and name HN)(resid 20 and name HG*) 4.02 2.22 1.206
assign (resid 45 and name HN)(resid 22 and name HG*) 4.62 2.82 1.386
assign (resid 45 and name HN)(resid 46 and name HA) 4.26 2.46 1.278
assign (resid 45 and name HN)(resid 47 and name HN) 4.55 2.75 1.365
assign (resid 45 and name HN)(resid 48 and name HN) 4.47 2.67 1.341
assign (resid 46 and name HA)(resid 46 and name HN) 2.93 1.13 0.879
assign (resid 46 and name HA)(resid 47 and name HN) 3.27 1.47 0.981
assign (resid 46 and name HB*)(resid 45 and name HN) 4.37 2.57 1.311
assign (resid 46 and name HB*)(resid 46 and name HN) 2.36 0.56 0.708
assign (resid 46 and name HB*)(resid 47 and name HN) 2.58 0.78 0.774
assign (resid 46 and name HB*)(resid 48 and name HN) 4.22 2.42 1.266
assign (resid 46 and name HN)(resid 20 and name HG*) 3.45 1.65 1.035
assign (resid 46 and name HN)(resid 45 and name HN) 3.59 1.79 1.077
assign (resid 47 and name HA)(resid 46 and name HN) 3.40 1.6 1.02
assign (resid 47 and name HA)(resid 47 and name HN) 2.69 0.89 0.807
assign (resid 47 and name HA)(resid 48 and name HN) 2.17 0.37 0.651
assign (resid 47 and name HB*)(resid 47 and name HN) 3.13 1.33 0.939
assign (resid 47 and name HG2#)(resid 46 and name HN) 3.91 2.11 1.173
assign (resid 47 and name HG2#)(resid 47 and name HN) 3.06 1.26 0.918
assign (resid 47 and name HG2#)(resid 48 and name HN) 2.86 1.06 0.858
assign (resid 47 and name HN)(resid 46 and name HN) 2.44 0.64 0.732
assign (resid 47 and name HN)(resid 48 and name HN) 3.52 1.72 1.056
assign (resid 48 and name HA)(resid 48 and name HN) 2.69 0.89 0.807
assign (resid 48 and name HB*)(resid 48 and name HN) 2.43 0.63 0.729
assign (resid 48 and name HB*)(resid 48 and name HN) 2.53 0.73 0.759
assign (resid 48 and name HN)(resid 22 and name HB*) 4.49 2.69 1.347
assign (resid 48 and name HN)(resid 22 and name HB*) 4.57 2.77 1.371
assign (resid 49 and name HA)(resid 50 and name HN) 2.09 0.29 0.627
assign (resid 5 and name HA)(resid 5 and name HN) 2.57 0.77 0.771
assign (resid 5 and name HB*)(resid 5 and name HN) 3.50 1.7 1.05
assign (resid 5 and name HB*)(resid 6 and name HN) 3.45 1.65 1.035
assign (resid 5 and name HG2#)(resid 12 and name HN) 3.08 1.28 0.924
assign (resid 5 and name HG2#)(resid 5 and name HN) 2.70 0.9 0.81
assign (resid 5 and name HG2#)(resid 6 and name HN) 3.74 1.94 1.122
assign (resid 5 and name HN)(resid 12 and name HN) 3.35 1.55 1.005
assign (resid 5 and name HN)(resid 13 and name HA) 3.41 1.61 1.023
assign (resid 5 and name HN)(resid 13 and name HB*) 3.64 1.84 1.092
assign (resid 5 and name HN)(resid 4 and name HB*) 3.30 1.5 0.99
assign (resid 5 and name HN)(resid 4 and name HB*) 3.63 1.83 1.089
assign (resid 5 and name HN)(resid 4 and name HN) 4.21 2.41 1.263
assign (resid 5 and name HN)(resid 42 and name HB*) 4.07 2.27 1.221
assign (resid 5 and name HN)(resid 42 and name HD*) 3.71 1.91 1.113
assign (resid 5 and name HN)(resid 6 and name HA) 3.93 2.13 1.179
assign (resid 5 and name HN)(resid 6 and name HG2#) 4.37 2.57 1.311
assign (resid 5 and name HN)(resid 66 and name HB*) 4.55 2.75 1.365
assign (resid 50 and name HA)(resid 50 and name HN) 2.66 0.86 0.798
assign (resid 50 and name HA)(resid 51 and name HN) 2.11 0.31 0.633
assign (resid 50 and name HB*)(resid 50 and name HN) 2.60 0.8 0.78
assign (resid 50 and name HB*)(resid 50 and name HN) 2.70 0.9 0.81
assign (resid 50 and name HB*)(resid 51 and name HN) 2.95 1.15 0.885
assign (resid 50 and name HB*)(resid 51 and name HN) 2.97 1.17 0.891
assign (resid 51 and name HA)(resid 51 and name HN) 2.72 0.92 0.816
assign (resid 51 and name HA)(resid 52 and name HN) 2.41 0.61 0.723
assign (resid 51 and name HB*)(resid 51 and name HN) 2.97 1.17 0.891
assign (resid 51 and name HB*)(resid 52 and name HN) 3.20 1.4 0.96
assign (resid 51 and name HB*)(resid 54 and name HN) 4.42 2.62 1.326
assign (resid 51 and name HD*)(resid 51 and name HN) 2.89 1.09 0.867
assign (resid 51 and name HD*)(resid 52 and name HN) 3.90 2.1 1.17
assign (resid 51 and name HG*)(resid 51 and name HN) 2.86 1.06 0.858
assign (resid 51 and name HG*)(resid 52 and name HN) 3.74 1.94 1.122
assign (resid 52 and name HA)(resid 52 and name HN) 3.28 1.48 0.984
assign (resid 52 and name HB*)(resid 52 and name HN) 3.28 1.48 0.984
assign (resid 52 and name HG*)(resid 52 and name HN) 3.38 1.58 1.014
assign (resid 52 and name HG*)(resid 52 and name HN) 3.39 1.59 1.017
assign (resid 52 and name HN)(resid 55 and name HN) 4.30 2.5 1.29
assign (resid 54 and name HA)(resid 54 and name HN) 2.82 1.02 0.846
assign (resid 54 and name HA)(resid 55 and name HN) 4.05 2.25 1.215
assign (resid 54 and name HB*)(resid 55 and name HN) 4.02 2.22 1.206
assign (resid 54 and name HD*)(resid 28 and name HA) 3.74 1.94 1.122
assign (resid 54 and name HD*)(resid 28 and name HB*) 3.09 1.29 0.927
assign (resid 54 and name HD*)(resid 28 and name HB*) 3.24 1.44 0.972
assign (resid 54 and name HD*)(resid 29 and name HN) 4.18 2.38 1.254
assign (resid 54 and name HD*)(resid 52 and name HE*) 3.97 2.17 1.191
assign (resid 54 and name HD*)(resid 54 and name HA) 2.65 0.85 0.795
assign (resid 54 and name HD*)(resid 54 and name HB*) 2.56 0.76 0.768
assign (resid 54 and name HD*)(resid 54 and name HN) 3.57 1.77 1.071
assign (resid 54 and name HD*)(resid 55 and name HA) 3.70 1.9 1.11
assign (resid 54 and name HD*)(resid 55 and name HB*) 3.55 1.75 1.065
assign (resid 54 and name HD*)(resid 55 and name HB*) 3.68 1.88 1.104
assign (resid 54 and name HD*)(resid 55 and name HG*) 3.58 1.78 1.074
assign (resid 54 and name HE*)(resid 54 and name HB*) 3.57 1.77 1.071
assign (resid 54 and name HE*)(resid 54 and name HD*) 1.98 0.18 0.594
assign (resid 54 and name HN)(resid 54 and name HA) 4.14 2.34 1.242
assign (resid 54 and name HN)(resid 54 and name HB*) 3.01 1.21 0.903
assign (resid 54 and name HN)(resid 54 and name HB*) 3.36 1.56 1.008
assign (resid 54 and name HN)(resid 55 and name HG*) 3.22 1.42 0.966
assign (resid 54 and name HN)(resid 55 and name HN) 3.29 1.49 0.987
assign (resid 55 and name HA)(resid 55 and name HN) 3.16 1.36 0.948
assign (resid 55 and name HB*)(resid 29 and name HN) 4.43 2.63 1.329
assign (resid 55 and name HB*)(resid 54 and name HN) 4.63 2.83 1.389
assign (resid 55 and name HB*)(resid 55 and name HN) 2.99 1.19 0.897
assign (resid 55 and name HB*)(resid 55 and name HN) 3.15 1.35 0.945
assign (resid 55 and name HB*)(resid 56 and name HN) 3.26 1.46 0.978
assign (resid 55 and name HG*)(resid 55 and name HN) 3.69 1.89 1.107
assign (resid 55 and name HN)(resid 51 and name HA) 4.41 2.61 1.323
assign (resid 55 and name HN)(resid 52 and name HA) 4.51 2.71 1.353
assign (resid 55 and name HN)(resid 52 and name HB*) 4.21 2.41 1.263
assign (resid 55 and name HN)(resid 52 and name HE*) 3.90 2.1 1.17
assign (resid 55 and name HN)(resid 52 and name HG*) 4.35 2.55 1.305
assign (resid 55 and name HN)(resid 54 and name HD*) 3.80 2 1.14
assign (resid 55 and name HN)(resid 56 and name HN) 3.96 2.16 1.188
assign (resid 55 and name HN)(resid 57 and name HG*) 4.44 2.64 1.332
assign (resid 56 and name HA)(resid 56 and name HN) 2.98 1.18 0.894
assign (resid 56 and name HA)(resid 57 and name HN) 2.22 0.42 0.666
assign (resid 56 and name HB*)(resid 56 and name HN) 2.94 1.14 0.882
assign (resid 56 and name HB*)(resid 57 and name HN) 3.30 1.5 0.99
assign (resid 56 and name HB*)(resid 57 and name HN) 3.65 1.85 1.095
assign (resid 56 and name HG*)(resid 56 and name HN) 3.92 2.12 1.176
assign (resid 56 and name HG*)(resid 56 and name HN) 3.95 2.15 1.185
assign (resid 56 and name HG*)(resid 57 and name HN) 3.97 2.17 1.191
assign (resid 56 and name HN)(resid 27 and name HN) 3.19 1.39 0.957
assign (resid 56 and name HN)(resid 28 and name HA) 2.77 0.97 0.831
assign (resid 56 and name HN)(resid 28 and name HB*) 3.67 1.87 1.101
assign (resid 56 and name HN)(resid 28 and name HB*) 4.00 2.2 1.2
assign (resid 56 and name HN)(resid 55 and name HA) 2.50 0.7 0.75
assign (resid 56 and name HN)(resid 56 and name HB*) 3.12 1.32 0.936
assign (resid 57 and name HA)(resid 57 and name HN) 3.11 1.31 0.933
assign (resid 57 and name HA)(resid 58 and name HN) 2.37 0.57 0.711
assign (resid 57 and name HB*)(resid 58 and name HN) 3.61 1.81 1.083
assign (resid 57 and name HG*)(resid 25 and name HN) 4.26 2.46 1.278
assign (resid 57 and name HG*)(resid 27 and name HN) 3.72 1.92 1.116
assign (resid 57 and name HG*)(resid 27 and name HN) 4.45 2.65 1.335
assign (resid 57 and name HG*)(resid 57 and name HN) 2.95 1.15 0.885
assign (resid 57 and name HG*)(resid 57 and name HN) 3.30 1.5 0.99
assign (resid 57 and name HG*)(resid 58 and name HN) 2.88 1.08 0.864
assign (resid 57 and name HG*)(resid 59 and name HN) 3.81 2.01 1.143
assign (resid 57 and name HN)(resid 56 and name HB*) 3.88 2.08 1.164
assign (resid 57 and name HN)(resid 56 and name HN) 3.86 2.06 1.158
assign (resid 57 and name HN)(resid 58 and name HN) 3.73 1.93 1.119
assign (resid 58 and name HA)(resid 25 and name HN) 4.12 2.32 1.236
assign (resid 58 and name HA)(resid 58 and name HN) 3.06 1.26 0.918
assign (resid 58 and name HA)(resid 59 and name HN) 2.21 0.41 0.663
assign (resid 58 and name HB*)(resid 58 and name HN) 3.04 1.24 0.912
assign (resid 58 and name HB*)(resid 59 and name HN) 3.12 1.32 0.936
assign (resid 58 and name HG2#)(resid 58 and name HN) 3.32 1.52 0.996
assign (resid 58 and name HG2#)(resid 59 and name HN) 2.95 1.15 0.885
assign (resid 58 and name HN)(resid 24 and name HB*) 4.06 2.26 1.218
assign (resid 58 and name HN)(resid 24 and name HB*) 4.61 2.81 1.383
assign (resid 58 and name HN)(resid 24 and name HD*) 4.20 2.4 1.26
assign (resid 58 and name HN)(resid 25 and name HN) 3.25 1.45 0.975
assign (resid 58 and name HN)(resid 57 and name HG*) 3.25 1.45 0.975
assign (resid 59 and name HA)(resid 25 and name HN) 3.34 1.54 1.002
assign (resid 59 and name HA)(resid 59 and name HN) 3.21 1.41 0.963
assign (resid 59 and name HA)(resid 60 and name HN) 2.39 0.59 0.717
assign (resid 59 and name HB*)(resid 59 and name HN) 3.14 1.34 0.942
assign (resid 59 and name HN)(resid 59 and name HB*) 2.85 1.05 0.855
assign (resid 6 and name HA)(resid 189 and name HD*) 3.19 1.39 0.957
assign (resid 6 and name HA)(resid 6 and name HN) 3.41 1.61 1.023
assign (resid 6 and name HA)(resid 7 and name HN) 3.34 1.54 1.002
assign (resid 6 and name HB*)(resid 6 and name HN) 2.59 0.79 0.777
assign (resid 6 and name HG2#)(resid 189 and name HE*) 3.60 1.8 1.08
assign (resid 6 and name HG2#)(resid 42 and name HN) 3.09 1.29 0.927
assign (resid 6 and name HG2#)(resid 6 and name HN) 3.38 1.58 1.014
assign (resid 6 and name HG2#)(resid 7 and name HN) 4.12 2.32 1.236
assign (resid 6 and name HG2#)(resid 8 and name HN) 4.59 2.79 1.377
assign (resid 6 and name HN)(resid 41 and name HA) 4.23 2.43 1.269
assign (resid 6 and name HN)(resid 42 and name HA) 4.30 2.5 1.29
assign (resid 6 and name HN)(resid 42 and name HB*) 3.68 1.88 1.104
assign (resid 6 and name HN)(resid 42 and name HG*) 3.35 1.55 1.005
assign (resid 6 and name HN)(resid 42 and name HG*) 3.82 2.02 1.146
assign (resid 6 and name HN)(resid 42 and name HG*) 4.42 2.62 1.326
assign (resid 6 and name HN)(resid 5 and name HN) 3.93 2.13 1.179
assign (resid 6 and name HN)(resid 6 and name HB*) 3.98 2.18 1.194
assign (resid 6 and name HN)(resid 7 and name HN) 2.94 1.14 0.882
assign (resid 60 and name HA)(resid 60 and name HN) 2.87 1.07 0.861
assign (resid 60 and name HA)(resid 61 and name HN) 2.32 0.52 0.696
assign (resid 60 and name HA)(resid 62 and name HN) 3.52 1.72 1.056
assign (resid 60 and name HB*)(resid 60 and name HN) 3.47 1.67 1.041
assign (resid 60 and name HB*)(resid 60 and name HN) 3.67 1.87 1.101
assign (resid 60 and name HB*)(resid 61 and name HN) 2.74 0.94 0.822
assign (resid 60 and name HB*)(resid 61 and name HN) 2.93 1.13 0.879
assign (resid 60 and name HB*)(resid 62 and name HN) 3.47 1.67 1.041
assign (resid 60 and name HB*)(resid 62 and name HN) 3.77 1.97 1.131
assign (resid 60 and name HN)(resid 22 and name HA) 3.64 1.84 1.092
assign (resid 60 and name HN)(resid 22 and name HB*) 4.09 2.29 1.227
assign (resid 60 and name HN)(resid 22 and name HG*) 3.65 1.85 1.095
assign (resid 60 and name HN)(resid 23 and name HN) 2.93 1.13 0.879
assign (resid 60 and name HN)(resid 24 and name HB*) 4.28 2.48 1.284
assign (resid 60 and name HN)(resid 24 and name HD*) 4.56 2.76 1.368
assign (resid 60 and name HN)(resid 58 and name HG2#) 4.03 2.23 1.209
assign (resid 60 and name HN)(resid 59 and name HB*) 2.92 1.12 0.876
assign (resid 60 and name HN)(resid 59 and name HB*) 3.18 1.38 0.954
assign (resid 60 and name HN)(resid 61 and name HA) 4.16 2.36 1.248
assign (resid 61 and name HA)(resid 61 and name HN) 2.81 1.01 0.843
assign (resid 61 and name HB*)(resid 61 and name HN) 3.19 1.39 0.957
assign (resid 61 and name HB*)(resid 61 and name HN) 3.20 1.4 0.96
assign (resid 61 and name HN)(resid 22 and name HG*) 4.04 2.24 1.212
assign (resid 61 and name HN)(resid 60 and name HN) 3.85 2.05 1.155
assign (resid 61 and name HN)(resid 62 and name HA) 4.27 2.47 1.281
assign (resid 62 and name HA)(resid 62 and name HN) 2.86 1.06 0.858
assign (resid 62 and name HA)(resid 63 and name HN) 2.11 0.31 0.633
assign (resid 62 and name HB*)(resid 62 and name HN) 3.41 1.61 1.023
assign (resid 62 and name HG*)(resid 62 and name HN) 2.93 1.13 0.879
assign (resid 62 and name HG*)(resid 65 and name HN) 4.30 2.5 1.29
assign (resid 62 and name HN)(resid 1 and name HD*) 4.46 2.66 1.338
assign (resid 62 and name HN)(resid 1 and name HG*) 4.41 2.61 1.323
assign (resid 62 and name HN)(resid 61 and name HA) 2.88 1.08 0.864
assign (resid 62 and name HN)(resid 61 and name HA) 3.91 2.11 1.173
assign (resid 62 and name HN)(resid 61 and name HB*) 3.86 2.06 1.158
assign (resid 62 and name HN)(resid 61 and name HN) 2.76 0.96 0.828
assign (resid 62 and name HN)(resid 62 and name HG*) 2.95 1.15 0.885
assign (resid 62 and name HN)(resid 63 and name HN) 3.59 1.79 1.077
assign (resid 62 and name HN)(resid 65 and name HA) 3.88 2.08 1.164
assign (resid 62 and name HN)(resid 65 and name HN) 4.08 2.28 1.224
assign (resid 63 and name HA)(resid 63 and name HN) 2.70 0.9 0.81
assign (resid 63 and name HA)(resid 64 and name HN) 2.39 0.59 0.717
assign (resid 63 and name HA)(resid 65 and name HN) 3.21 1.41 0.963
assign (resid 63 and name HB*)(resid 63 and name HN) 2.55 0.75 0.765
assign (resid 63 and name HB*)(resid 63 and name HN) 2.75 0.95 0.825
assign (resid 63 and name HB*)(resid 64 and name HN) 3.62 1.82 1.086
assign (resid 63 and name HN)(resid 1 and name HD*) 3.23 1.43 0.969
assign (resid 63 and name HN)(resid 2 and name HB*) 3.37 1.57 1.011
assign (resid 63 and name HN)(resid 62 and name HG*) 2.72 0.92 0.816
assign (resid 63 and name HN)(resid 64 and name HN) 3.56 1.76 1.068
assign (resid 64 and name HA)(resid 64 and name HN) 2.59 0.79 0.777
assign (resid 64 and name HA)(resid 65 and name HN) 2.86 1.06 0.858
assign (resid 64 and name HA)(resid 66 and name HN) 3.49 1.69 1.047
assign (resid 64 and name HB*)(resid 64 and name HN) 3.30 1.5 0.99
assign (resid 64 and name HB*)(resid 65 and name HN) 4.07 2.27 1.221
assign (resid 64 and name HD*)(resid 64 and name HN) 3.80 2 1.14
assign (resid 64 and name HD*)(resid 65 and name HN) 4.03 2.23 1.209
assign (resid 64 and name HE*)(resid 64 and name HN) 3.77 1.97 1.131
assign (resid 64 and name HG*)(resid 64 and name HN) 3.45 1.65 1.035
assign (resid 64 and name HG*)(resid 65 and name HN) 4.13 2.33 1.239
assign (resid 64 and name HN)(resid 2 and name HB*) 3.50 1.7 1.05
assign (resid 64 and name HN)(resid 63 and name HB*) 3.36 1.56 1.008
assign (resid 65 and name HA)(resid 64 and name HN) 4.44 2.64 1.332
assign (resid 65 and name HA)(resid 65 and name HN) 2.58 0.78 0.774
assign (resid 65 and name HA)(resid 66 and name HN) 3.33 1.53 0.999
assign (resid 65 and name HB*)(resid 62 and name HN) 3.24 1.44 0.972
assign (resid 65 and name HB*)(resid 62 and name HN) 3.53 1.73 1.059
assign (resid 65 and name HB*)(resid 64 and name HN) 4.60 2.8 1.38
assign (resid 65 and name HB*)(resid 65 and name HN) 2.66 0.86 0.798
assign (resid 65 and name HB*)(resid 65 and name HN) 2.87 1.07 0.861
assign (resid 65 and name HB*)(resid 66 and name HN) 4.25 2.45 1.275
assign (resid 65 and name HN)(resid 2 and name HB*) 4.20 2.4 1.26
assign (resid 65 and name HN)(resid 2 and name HG*) 4.40 2.6 1.32
assign (resid 65 and name HN)(resid 23 and name HB*) 4.28 2.48 1.284
assign (resid 65 and name HN)(resid 4 and name HD*) 3.83 2.03 1.149
assign (resid 65 and name HN)(resid 4 and name HN) 4.44 2.64 1.332
assign (resid 65 and name HN)(resid 62 and name HA) 4.48 2.68 1.344
assign (resid 65 and name HN)(resid 62 and name HB*) 4.28 2.48 1.284
assign (resid 65 and name HN)(resid 63 and name HB*) 4.43 2.63 1.329
assign (resid 65 and name HN)(resid 63 and name HB*) 4.63 2.83 1.389
assign (resid 65 and name HN)(resid 64 and name HB*) 3.91 2.11 1.173
assign (resid 65 and name HN)(resid 64 and name HN) 2.98 1.18 0.894
assign (resid 65 and name HN)(resid 66 and name HN) 2.93 1.13 0.879
assign (resid 66 and name 1HD*)(resid 23 and name HA) 4.28 2.48 1.284
assign (resid 66 and name 1HD*)(resid 3 and name HB*) 3.57 1.77 1.071
assign (resid 66 and name 1HD*)(resid 42 and name HD*) 4.48 2.68 1.344
assign (resid 66 and name 1HD*)(resid 66 and name HA) 4.36 2.56 1.308
assign (resid 66 and name 2HD*)(resid 23 and name HA) 4.14 2.34 1.242
assign (resid 66 and name 2HD*)(resid 3 and name HB*) 4.10 2.3 1.23
assign (resid 66 and name 2HD*)(resid 42 and name HA) 3.46 1.66 1.038
assign (resid 66 and name HA)(resid 65 and name HN) 3.94 2.14 1.182
assign (resid 66 and name HA)(resid 66 and name HN) 3.03 1.23 0.909
assign (resid 66 and name HB*)(resid 24 and name HN) 4.11 2.31 1.233
assign (resid 66 and name HB*)(resid 66 and name HN) 3.27 1.47 0.981
assign (resid 66 and name HB*)(resid 66 and name HN) 3.56 1.76 1.068
assign (resid 66 and name HD*)(resid 23 and name HB*) 3.63 1.83 1.089
assign (resid 66 and name HD*)(resid 23 and name HB*) 3.72 1.92 1.116
assign (resid 66 and name HD*)(resid 23 and name HB*) 4.07 2.27 1.221
assign (resid 66 and name HD*)(resid 23 and name HB*) 4.29 2.49 1.287
assign (resid 66 and name HD*)(resid 24 and name HN) 3.49 1.69 1.047
assign (resid 66 and name HD*)(resid 24 and name HN) 3.77 1.97 1.131
assign (resid 66 and name HD*)(resid 25 and name HA) 4.38 2.58 1.314
assign (resid 66 and name HD*)(resid 3 and name HA) 4.36 2.56 1.308
assign (resid 66 and name HD*)(resid 3 and name HB*) 3.17 1.37 0.951
assign (resid 66 and name HD*)(resid 3 and name HB*) 3.54 1.74 1.062
assign (resid 66 and name HD*)(resid 4 and name HA) 4.30 2.5 1.29
assign (resid 66 and name HD*)(resid 42 and name HB*) 3.47 1.67 1.041
assign (resid 66 and name HD*)(resid 42 and name HB*) 3.48 1.68 1.044
assign (resid 66 and name HD*)(resid 42 and name HB*) 3.82 2.02 1.146
assign (resid 66 and name HD*)(resid 42 and name HD*) 4.34 2.54 1.302
assign (resid 66 and name HD*)(resid 42 and name HG*) 3.39 1.59 1.017
assign (resid 66 and name HD*)(resid 42 and name HG*) 3.76 1.96 1.128
assign (resid 66 and name HD*)(resid 42 and name HG*) 3.77 1.97 1.131
assign (resid 66 and name HD*)(resid 42 and name HG*) 3.92 2.12 1.176
assign (resid 66 and name HD*)(resid 42 and name HG*) 4.01 2.21 1.203
assign (resid 66 and name HD*)(resid 43 and name HA*) 4.24 2.44 1.272
assign (resid 66 and name HD*)(resid 43 and name HA*) 4.30 2.5 1.29
assign (resid 66 and name HD*)(resid 43 and name HA*) 4.48 2.68 1.344
assign (resid 66 and name HD*)(resid 43 and name HA*) 4.51 2.71 1.353
assign (resid 66 and name HD*)(resid 66 and name HA) 3.69 1.89 1.107
assign (resid 66 and name HD*)(resid 66 and name HB*) 3.09 1.29 0.927
assign (resid 66 and name HD*)(resid 66 and name HB*) 3.25 1.45 0.975
assign (resid 66 and name HD*)(resid 66 and name HB*) 3.49 1.69 1.047
assign (resid 66 and name HD*)(resid 66 and name HB*) 3.72 1.92 1.116
assign (resid 66 and name HD*)(resid 66 and name HD*) 2.61 0.81 0.783
assign (resid 66 and name HN)(resid 23 and name HB*) 3.93 2.13 1.179
assign (resid 66 and name HN)(resid 4 and name HB*) 4.27 2.47 1.281
assign (resid 66 and name HN)(resid 4 and name HN) 3.92 2.12 1.176
assign (resid 66 and name HN)(resid 64 and name HD*) 4.48 2.68 1.344
assign (resid 66 and name HN)(resid 64 and name HN) 4.07 2.27 1.221
assign (resid 66 and name HN)(resid 65 and name HB*) 4.08 2.28 1.224
assign (resid 66 and name HN)(resid 66 and name 2HD*) 4.59 2.79 1.377
assign (resid 66 and name HN)(resid 67 and name HB*) 3.55 1.75 1.065
assign (resid 66 and name HN)(resid 67 and name HD*) 4.31 2.51 1.293
assign (resid 67 and name HG*)(resid 66 and name HN) 4.50 2.7 1.35
assign (resid 68 and name HA)(resid 68 and name HN) 3.00 1.2 0.9
assign (resid 68 and name HA)(resid 70 and name HN) 4.25 2.45 1.275
assign (resid 68 and name HB*)(resid 68 and name HN) 2.68 0.88 0.804
assign (resid 68 and name HB*)(resid 68 and name HN) 2.69 0.89 0.807
assign (resid 68 and name HD*)(resid 11 and name HG*) 2.47 0.67 0.741
assign (resid 68 and name HD*)(resid 11 and name HG*) 4.11 2.31 1.233
assign (resid 68 and name HD*)(resid 189 and name HA) 4.21 2.41 1.263
assign (resid 68 and name HD*)(resid 189 and name HD*) 3.17 1.37 0.951
assign (resid 68 and name HD*)(resid 191 and name HB*) 4.09 2.29 1.227
assign (resid 68 and name HD*)(resid 40 and name HB*) 3.17 1.37 0.951
assign (resid 68 and name HD*)(resid 40 and name HG*) 2.70 0.9 0.81
assign (resid 68 and name HD*)(resid 40 and name HG*) 3.14 1.34 0.942
assign (resid 68 and name HD*)(resid 42 and name HD*) 3.93 2.13 1.179
assign (resid 68 and name HD*)(resid 42 and name HG*) 3.26 1.46 0.978
assign (resid 68 and name HD*)(resid 42 and name HG*) 4.07 2.27 1.221
assign (resid 68 and name HD*)(resid 68 and name HA) 3.27 1.47 0.981
assign (resid 68 and name HD*)(resid 68 and name HB*) 2.74 0.94 0.822
assign (resid 68 and name HD*)(resid 68 and name HB*) 2.92 1.12 0.876
assign (resid 68 and name HD*)(resid 68 and name HN) 3.73 1.93 1.119
assign (resid 68 and name HD*)(resid 69 and name HB*) 3.81 2.01 1.143
assign (resid 68 and name HD*)(resid 70 and name HE*) 4.59 2.79 1.377
assign (resid 68 and name HD*)(resid 71 and name HG*) 4.45 2.65 1.335
assign (resid 68 and name HE1)(resid 191 and name HG2#) 4.63 2.83 1.389
assign (resid 68 and name HE1)(resid 40 and name HB*) 4.52 2.72 1.356
assign (resid 68 and name HE1)(resid 42 and name HD*) 3.76 1.96 1.128
assign (resid 68 and name HE1)(resid 6 and name HG2#) 3.41 1.61 1.023
assign (resid 68 and name HN)(resid 4 and name HB*) 4.36 2.56 1.308
assign (resid 68 and name HN)(resid 4 and name HB*) 4.46 2.66 1.338
assign (resid 68 and name HN)(resid 4 and name HD*) 3.85 2.05 1.155
assign (resid 68 and name HN)(resid 67 and name HA*) 2.45 0.65 0.735
assign (resid 68 and name HN)(resid 67 and name HB*) 4.48 2.68 1.344
assign (resid 68 and name HN)(resid 67 and name HG*) 3.06 1.26 0.918
assign (resid 68 and name HN)(resid 72 and name HB*) 3.50 1.7 1.05
assign (resid 69 and name HA)(resid 70 and name HN) 3.40 1.6 1.02
assign (resid 69 and name HB*)(resid 70 and name HN) 4.14 2.34 1.242
assign (resid 69 and name HB*)(resid 70 and name HN) 4.36 2.56 1.308
assign (resid 69 and name HD*)(resid 70 and name HN) 4.02 2.22 1.206
assign (resid 69 and name HG*)(resid 70 and name HN) 3.65 1.85 1.095
assign (resid 7 and name HA)(resid 7 and name HN) 2.89 1.09 0.867
assign (resid 7 and name HB*)(resid 6 and name HN) 3.89 2.09 1.167
assign (resid 7 and name HB*)(resid 7 and name HN) 2.48 0.68 0.744
assign (resid 7 and name HB*)(resid 8 and name HN) 3.07 1.27 0.921
assign (resid 7 and name HN)(resid 6 and name HB*) 4.60 2.8 1.38
assign (resid 7 and name HN)(resid 8 and name HB*) 4.61 2.81 1.383
assign (resid 70 and name HA)(resid 70 and name HN) 2.91 1.11 0.873
assign (resid 70 and name HA)(resid 71 and name HN) 2.94 1.14 0.882
assign (resid 70 and name HB*)(resid 70 and name HN) 2.93 1.13 0.879
assign (resid 70 and name HB*)(resid 70 and name HN) 3.20 1.4 0.96
assign (resid 70 and name HB*)(resid 70 and name HN) 3.35 1.55 1.005
assign (resid 70 and name HB*)(resid 71 and name HN) 3.57 1.77 1.071
assign (resid 70 and name HG*)(resid 70 and name HN) 3.71 1.91 1.113
assign (resid 70 and name HG*)(resid 71 and name HN) 4.18 2.38 1.254
assign (resid 70 and name HN)(resid 68 and name HB*) 3.97 2.17 1.191
assign (resid 70 and name HN)(resid 68 and name HB*) 4.33 2.53 1.299
assign (resid 70 and name HN)(resid 71 and name HG*) 3.93 2.13 1.179
assign (resid 71 and name HA)(resid 71 and name HN) 2.97 1.17 0.891
assign (resid 71 and name HB*)(resid 71 and name HN) 3.94 2.14 1.182
assign (resid 71 and name HE*)(resid 11 and name HD*) 4.56 2.76 1.368
assign (resid 71 and name HE*)(resid 11 and name HG*) 4.20 2.4 1.26
assign (resid 71 and name HG*)(resid 71 and name HN) 2.53 0.73 0.759
assign (resid 71 and name HG*)(resid 71 and name HN) 3.45 1.65 1.035
assign (resid 71 and name HG*)(resid 72 and name HN) 2.87 1.07 0.861
assign (resid 71 and name HG*)(resid 72 and name HN) 3.85 2.05 1.155
assign (resid 71 and name HN)(resid 68 and name HA) 4.38 2.58 1.314
assign (resid 71 and name HN)(resid 68 and name HB*) 3.60 1.8 1.08
assign (resid 71 and name HN)(resid 68 and name HB*) 3.79 1.99 1.137
assign (resid 71 and name HN)(resid 69 and name HA) 3.62 1.82 1.086
assign (resid 71 and name HN)(resid 70 and name HN) 2.63 0.83 0.789
assign (resid 71 and name HN)(resid 72 and name HN) 3.63 1.83 1.089
assign (resid 72 and name HA)(resid 72 and name HN) 2.90 1.1 0.87
assign (resid 72 and name HB*)(resid 72 and name HN) 3.12 1.32 0.936
assign (resid 72 and name HE*)(resid 72 and name HN) 4.01 2.21 1.203
assign (resid 72 and name HG*)(resid 72 and name HN) 2.83 1.03 0.849
assign (resid 72 and name HN)(resid 71 and name HA) 2.36 0.56 0.708
assign (resid 72 and name HN)(resid 74 and name HA*) 4.16 2.36 1.248
assign (resid 74 and name HA*)(resid 74 and name HN) 2.55 0.75 0.765
assign (resid 74 and name HN)(resid 73 and name HA) 2.36 0.56 0.708
assign (resid 74 and name HN)(resid 74 and name HA*) 3.28 1.48 0.984
assign (resid 8 and name HA)(resid 8 and name HN) 3.35 1.55 1.005
assign (resid 8 and name HB*)(resid 8 and name HN) 3.79 1.99 1.137
assign (resid 8 and name HG2#)(resid 187 and name HD*) 4.20 2.4 1.26
assign (resid 8 and name HG2#)(resid 7 and name HN) 3.86 2.06 1.158
assign (resid 8 and name HG2#)(resid 8 and name HN) 2.85 1.05 0.855
assign (resid 8 and name HN)(resid 7 and name HA) 3.22 1.42 0.966
assign (resid 9 and name HA)(resid 9 and name HN) 2.73 0.93 0.819
assign (resid 9 and name HB*)(resid 9 and name HN) 3.30 1.5 0.99
assign (resid 9 and name HB*)(resid 9 and name HN) 3.59 1.79 1.077
assign (resid 9 and name HN)(resid 187 and name HD*) 4.48 2.68 1.344
assign (resid 9 and name HN)(resid 187 and name HZ2) 4.51 2.71 1.353
assign (resid 9 and name HN)(resid 8 and name HG2#) 3.33 1.53 0.999


!############### Distance Constraints from NOESY in D2O #################
assign (resid 10 and name HA)(resid 10 and name HB*) 2.40 0.6 0.72
assign (resid 10 and name HA)(resid 11 and name HG*) 4.09 2.29 1.227
assign (resid 11 and name HA)(resid 11 and name HG*) 2.60 0.8 0.78
assign (resid 11 and name HA)(resid 11 and name HG*) 2.84 1.04 0.852
assign (resid 11 and name HG*)(resid 11 and name HG*) 2.43 0.63 0.729
assign (resid 12 and name HA)(resid 12 and name HB*) 2.07 0.27 0.621
assign (resid 12 and name HA)(resid 12 and name HB*) 2.10 0.3 0.63
assign (resid 12 and name HB*)(resid 185 and name HB*) 3.37 1.57 1.011
assign (resid 12 and name HB*)(resid 185 and name HD*) 3.64 1.84 1.092
assign (resid 12 and name HB*)(resid 185 and name HG*) 3.31 1.51 0.993
assign (resid 12 and name HB*)(resid 185 and name HG*) 3.33 1.53 0.999
assign (resid 13 and name HA)(resid 13 and name HB*) 2.21 0.41 0.663
assign (resid 13 and name HA)(resid 14 and name HG*) 2.89 1.09 0.867
assign (resid 13 and name HA)(resid 5 and name HG2#) 3.03 1.23 0.909
assign (resid 14 and name HA)(resid 14 and name HB*) 2.13 0.33 0.639
assign (resid 14 and name HA)(resid 14 and name HG*) 2.43 0.63 0.729
assign (resid 14 and name HA)(resid 14 and name HG*) 2.95 1.15 0.885
assign (resid 16 and name HA)(resid 16 and name HB*) 2.66 0.86 0.798
assign (resid 16 and name HA)(resid 16 and name HB*) 2.76 0.96 0.828
assign (resid 16 and name HA)(resid 17 and name HD*) 2.48 0.68 0.744
assign (resid 181 and name HA)(resid 181 and name HG*) 2.55 0.75 0.765
assign (resid 181 and name HA)(resid 181 and name HG*) 3.13 1.33 0.939
assign (resid 184 and name HA)(resid 184 and name HB*) 2.68 0.88 0.804
assign (resid 184 and name HA)(resid 184 and name HB*) 2.69 0.89 0.807
assign (resid 185 and name HA)(resid 185 and name HB*) 2.46 0.66 0.738
assign (resid 185 and name HA)(resid 185 and name HB*) 2.57 0.77 0.771
assign (resid 185 and name HA)(resid 185 and name HG*) 2.36 0.56 0.708
assign (resid 186 and name HA)(resid 186 and name HB*) 2.56 0.76 0.768
assign (resid 187 and name HA)(resid 186 and name HA) 4.04 2.24 1.212
assign (resid 187 and name HA)(resid 187 and name HB*) 2.81 1.01 0.843
assign (resid 187 and name HA)(resid 187 and name HB*) 2.97 1.17 0.891
assign (resid 187 and name HA)(resid 199 and name HA) 2.72 0.92 0.816
assign (resid 187 and name HA)(resid 199 and name HG*) 3.43 1.63 1.029
assign (resid 187 and name HA)(resid 199 and name HG*) 3.47 1.67 1.041
assign (resid 188 and name HA)(resid 188 and name HD*) 2.52 0.72 0.756
assign (resid 188 and name HA)(resid 188 and name HG*) 2.20 0.4 0.66
assign (resid 189 and name HA)(resid 189 and name HB*) 2.67 0.87 0.801
assign (resid 189 and name HA)(resid 189 and name HB*) 2.83 1.03 0.849
assign (resid 189 and name HB*)(resid 189 and name HB*) 2.29 0.49 0.687
assign (resid 189 and name HB*)(resid 40 and name HG*) 3.29 1.49 0.987
assign (resid 189 and name HB*)(resid 40 and name HG*) 3.80 2 1.14
assign (resid 190 and name HA)(resid 190 and name HB*) 2.83 1.03 0.849
assign (resid 190 and name HA)(resid 190 and name HB*) 3.03 1.23 0.909
assign (resid 190 and name HA)(resid 39 and name HA) 2.47 0.67 0.741
assign (resid 190 and name HAD2O)(resid 191 and name HG2#) 3.87 2.07 1.161
assign (resid 190 and name HAD2O)(resid 39 and name HB*) 3.32 1.52 0.996
assign (resid 190 and name HAD2O)(resid 39 and name HG*) 3.32 1.52 0.996
assign (resid 190 and name HAD2O)(resid 39 and name HG*) 4.17 2.37 1.251
assign (resid 191 and name HA)(resid 191 and name HB*) 2.09 0.29 0.627
assign (resid 191 and name HA)(resid 191 and name HG2#) 2.14 0.34 0.642
assign (resid 193 and name HA)(resid 193 and name HB*) 2.47 0.67 0.741
assign (resid 193 and name HA)(resid 193 and name HB*) 2.53 0.73 0.759
assign (resid 193 and name HA)(resid 193 and name HB*) 2.95 1.15 0.885
assign (resid 193 and name HA)(resid 194 and name HB*) 3.25 1.45 0.975
assign (resid 193 and name HA)(resid 194 and name HG*) 3.29 1.49 0.987
assign (resid 194 and name HA)(resid 194 and name HB*) 2.69 0.89 0.807
assign (resid 194 and name HA)(resid 194 and name HG*) 2.68 0.88 0.804
assign (resid 194 and name HA)(resid 70 and name HE*) 3.72 1.92 1.116
assign (resid 195 and name HA)(resid 195 and name HB*) 2.43 0.63 0.729
assign (resid 195 and name HA)(resid 195 and name HB*) 2.61 0.81 0.783
assign (resid 196 and name HA)(resid 196 and name HG2#) 2.40 0.6 0.72
assign (resid 198 and name HA)(resid 198 and name HB*) 2.33 0.53 0.699
assign (resid 199 and name HA)(resid 199 and name HG*) 2.64 0.84 0.792
assign (resid 199 and name HA)(resid 199 and name HG*) 2.90 1.1 0.87
assign (resid 2 and name HA)(resid 15 and name HA) 2.13 0.33 0.639
assign (resid 2 and name HA)(resid 15 and name HB*) 3.31 1.51 0.993
assign (resid 2 and name HA)(resid 2 and name HB*) 2.69 0.89 0.807
assign (resid 2 and name HA)(resid 2 and name HG*) 2.14 0.34 0.642
assign (resid 2 and name HA)(resid 2 and name HG*) 2.36 0.56 0.708
assign (resid 200 and name HA)(resid 200 and name HB*) 2.56 0.76 0.768
assign (resid 200 and name HA)(resid 200 and name HB*) 2.83 1.03 0.849
assign (resid 21 and name HA)(resid 21 and name HB*) 2.29 0.49 0.687
assign (resid 21 and name HA)(resid 21 and name HB*) 2.50 0.7 0.75
assign (resid 22 and name HA)(resid 22 and name HB*) 2.79 0.99 0.837
assign (resid 22 and name HA)(resid 22 and name HB*) 2.94 1.14 0.882
assign (resid 22 and name HA)(resid 22 and name HD*) 2.33 0.53 0.699
assign (resid 22 and name HA)(resid 22 and name HD*) 2.58 0.78 0.774
assign (resid 22 and name HA)(resid 22 and name HG*) 2.63 0.83 0.789
assign (resid 22 and name HA)(resid 23 and name HB*) 3.76 1.96 1.128
assign (resid 22 and name HA)(resid 61 and name HA) 2.85 1.05 0.855
assign (resid 22 and name HA)(resid 61 and name HB*) 3.40 1.6 1.02
assign (resid 23 and name HA)(resid 22 and name HA) 3.65 1.85 1.095
assign (resid 23 and name HA)(resid 22 and name HB*) 4.18 2.38 1.254
assign (resid 23 and name HA)(resid 22 and name HE*) 3.68 1.88 1.104
assign (resid 23 and name HA)(resid 22 and name HG*) 4.35 2.55 1.305
assign (resid 23 and name HA)(resid 23 and name HB*) 2.62 0.82 0.786
assign (resid 23 and name HA)(resid 23 and name HB*) 2.80 1 0.84
assign (resid 23 and name HA)(resid 24 and name HB*) 3.96 2.16 1.188
assign (resid 23 and name HA)(resid 3 and name HB*) 3.42 1.62 1.026
assign (resid 23 and name HA)(resid 3 and name HB*) 3.62 1.82 1.086
assign (resid 23 and name HA)(resid 44 and name HA) 2.58 0.78 0.774
assign (resid 23 and name HA)(resid 44 and name HB*) 3.66 1.86 1.098
assign (resid 24 and name HA)(resid 23 and name HB*) 3.75 1.95 1.125
assign (resid 24 and name HA)(resid 23 and name HB*) 4.39 2.59 1.317
assign (resid 24 and name HA)(resid 24 and name HB*) 2.43 0.63 0.729
assign (resid 24 and name HA)(resid 24 and name HB*) 2.48 0.68 0.744
assign (resid 24 and name HA)(resid 25 and name HA) 3.60 1.8 1.08
assign (resid 24 and name HA)(resid 58 and name HB*) 3.88 2.08 1.164
assign (resid 24 and name HA)(resid 59 and name HA) 2.30 0.5 0.69
assign (resid 24 and name HA)(resid 59 and name HB*) 3.45 1.65 1.035
assign (resid 24 and name HA)(resid 60 and name HB*) 4.02 2.22 1.206
assign (resid 24 and name HA)(resid 66 and name HB*) 4.04 2.24 1.212
assign (resid 24 and name HA)(resid 66 and name HB*) 4.04 2.24 1.212
assign (resid 25 and name HA)(resid 25 and name HB*) 2.80 1 0.84
assign (resid 25 and name HA)(resid 25 and name HB*) 3.04 1.24 0.912
assign (resid 25 and name HA)(resid 25 and name HG*) 2.81 1.01 0.843
assign (resid 25 and name HA)(resid 42 and name HA) 2.71 0.91 0.813
assign (resid 26 and name HA)(resid 26 and name HB*) 2.71 0.91 0.813
assign (resid 26 and name HA)(resid 26 and name HB*) 2.85 1.05 0.855
assign (resid 26 and name HA)(resid 26 and name HE*) 3.81 2.01 1.143
assign (resid 26 and name HA)(resid 26 and name HG*) 2.67 0.87 0.801
assign (resid 26 and name HA)(resid 57 and name HA) 2.3 0.5 0.69
assign (resid 26 and name HA)(resid 57 and name HG*) 2.69 0.89 0.807
assign (resid 26 and name HA)(resid 57 and name HG*) 3.08 1.28 0.924
assign (resid 27 and name HA)(resid 26 and name HA) 3.90 2.1 1.17
assign (resid 27 and name HA)(resid 26 and name HE*) 3.57 1.77 1.071
assign (resid 27 and name HA)(resid 27 and name HB*) 2.60 0.8 0.78
assign (resid 27 and name HA)(resid 27 and name HG*) 2.71 0.91 0.813
assign (resid 27 and name HA)(resid 27 and name HG*) 2.88 1.08 0.864
assign (resid 27 and name HA)(resid 28 and name HA) 3.96 2.16 1.188
assign (resid 27 and name HA)(resid 28 and name HB*) 4.25 2.45 1.275
assign (resid 27 and name HA)(resid 28 and name HB*) 4.34 2.54 1.302
assign (resid 27 and name HA)(resid 39 and name HB*) 4.35 2.55 1.305
assign (resid 27 and name HA)(resid 39 and name HG*) 3.76 1.96 1.128
assign (resid 27 and name HA)(resid 39 and name HG*) 3.77 1.97 1.131
assign (resid 27 and name HA)(resid 40 and name HA) 2.74 0.94 0.822
assign (resid 27 and name HA)(resid 40 and name HB*) 4.57 2.77 1.371
assign (resid 27 and name HA)(resid 40 and name HG*) 3.41 1.61 1.023
assign (resid 27 and name HA)(resid 40 and name HG*) 3.66 1.86 1.098
assign (resid 27 and name HG*)(resid 40 and name HG*) 3.20 1.4 0.96
assign (resid 27 and name HG*)(resid 40 and name HG*) 3.54 1.74 1.062
assign (resid 28 and name HA)(resid 27 and name HB*) 3.16 1.36 0.948
assign (resid 28 and name HA)(resid 28 and name HB*) 2.22 0.42 0.666
assign (resid 28 and name HA)(resid 28 and name HB*) 2.25 0.45 0.675
assign (resid 28 and name HA)(resid 29 and name HB*) 3.22 1.42 0.966
assign (resid 28 and name HA)(resid 55 and name HA) 2.90 1.1 0.87
assign (resid 28 and name HA)(resid 55 and name HB*) 3.51 1.71 1.053
assign (resid 28 and name HA)(resid 55 and name HB*) 3.65 1.85 1.095
assign (resid 28 and name HA)(resid 55 and name HG*) 3.20 1.4 0.96
assign (resid 29 and name HA)(resid 28 and name HA) 4.04 2.24 1.212
assign (resid 29 and name HA)(resid 29 and name HB*) 2.81 1.01 0.843
assign (resid 29 and name HA)(resid 30 and name HB*) 4.44 2.64 1.332
assign (resid 29 and name HA)(resid 33 and name HB*) 3.35 1.55 1.005
assign (resid 29 and name HA)(resid 38 and name HA) 2.49 0.69 0.747
assign (resid 29 and name HA)(resid 38 and name HD*) 3.42 1.62 1.026
assign (resid 29 and name HA)(resid 38 and name HG*) 3.05 1.25 0.915
assign (resid 29 and name HA)(resid 38 and name HG*) 3.47 1.67 1.041
assign (resid 29 and name HA)(resid 39 and name HB*) 3.34 1.54 1.002
assign (resid 29 and name HA)(resid 39 and name HG*) 4.32 2.52 1.296
assign (resid 3 and name HA)(resid 2 and name HG*) 2.79 0.99 0.837
assign (resid 3 and name HA)(resid 23 and name HB*) 3.62 1.82 1.086
assign (resid 3 and name HA)(resid 23 and name HB*) 3.99 2.19 1.197
assign (resid 3 and name HA)(resid 3 and name HB*) 2.52 0.72 0.756
assign (resid 3 and name HA)(resid 3 and name HB*) 2.66 0.86 0.798
assign (resid 3 and name HA)(resid 64 and name HD*) 4.12 2.32 1.236
assign (resid 3 and name HA)(resid 64 and name HG*) 3.47 1.67 1.041
assign (resid 31 and name HA)(resid 31 and name HB*) 2.30 0.5 0.69
assign (resid 32 and name HA)(resid 32 and name HB*) 2.95 1.15 0.885
assign (resid 32 and name HA)(resid 32 and name HB*) 3.15 1.35 0.945
assign (resid 33 and name HA)(resid 33 and name HB*) 2.28 0.48 0.684
assign (resid 33 and name HA)(resid 33 and name HB*) 2.79 0.99 0.837
assign (resid 34 and name HA)(resid 34 and name HB*) 2.23 0.43 0.669
assign (resid 34 and name HA)(resid 34 and name HB*) 2.24 0.44 0.672
assign (resid 39 and name HA)(resid 190 and name HB*) 3.40 1.6 1.02
assign (resid 39 and name HA)(resid 39 and name HB*) 2.42 0.62 0.726
assign (resid 39 and name HA)(resid 39 and name HG*) 2.45 0.65 0.735
assign (resid 39 and name HA)(resid 39 and name HG*) 2.94 1.14 0.882
assign (resid 39 and name HB*)(resid 39 and name HG*) 2.16 0.36 0.648
assign (resid 39 and name HB*)(resid 39 and name HG*) 2.30 0.5 0.69
assign (resid 39 and name HG*)(resid 39 and name HG*) 2.27 0.47 0.681
assign (resid 4 and name HA)(resid 13 and name HA) 2.22 0.42 0.666
assign (resid 4 and name HA)(resid 13 and name HB*) 2.76 0.96 0.828
assign (resid 4 and name HA)(resid 4 and name HB*) 2.59 0.79 0.777
assign (resid 4 and name HA)(resid 4 and name HB*) 2.83 1.03 0.849
assign (resid 4 and name HA)(resid 5 and name HB*) 3.99 2.19 1.197
assign (resid 4 and name HA)(resid 5 and name HG2#) 3.28 1.48 0.984
assign (resid 40 and name HA)(resid 27 and name HG*) 2.69 0.89 0.807
assign (resid 40 and name HA)(resid 27 and name HG*) 2.98 1.18 0.894
assign (resid 40 and name HA)(resid 39 and name HB*) 4.53 2.73 1.359
assign (resid 40 and name HA)(resid 39 and name HG*) 3.54 1.74 1.062
assign (resid 40 and name HA)(resid 40 and name HG*) 2.62 0.82 0.786
assign (resid 40 and name HA)(resid 40 and name HG*) 2.65 0.85 0.795
assign (resid 41 and name HA)(resid 188 and name HA) 4.26 2.46 1.278
assign (resid 41 and name HA)(resid 40 and name HA) 3.67 1.87 1.101
assign (resid 41 and name HA)(resid 41 and name HB*) 2.82 1.02 0.846
assign (resid 41 and name HA)(resid 41 and name HG*) 2.51 0.71 0.753
assign (resid 41 and name HA)(resid 41 and name HG*) 2.95 1.15 0.885
assign (resid 41 and name HA)(resid 6 and name HG2#) 2.77 0.97 0.831
assign (resid 42 and name HA)(resid 43 and name HA*) 3.63 1.83 1.089
assign (resid 42 and name HA)(resid 6 and name HG2#) 3.56 1.76 1.068
assign (resid 42 and name HB*)(resid 42 and name HA) 2.70 0.9 0.81
assign (resid 42 and name HD*)(resid 40 and name HG*) 2.36 0.56 0.708
assign (resid 42 and name HD*)(resid 40 and name HG*) 2.87 1.07 0.861
assign (resid 42 and name HD*)(resid 42 and name HA) 2.42 0.62 0.726
assign (resid 42 and name HD*)(resid 42 and name HA) 3.10 1.3 0.93
assign (resid 42 and name HG*)(resid 42 and name HA) 2.76 0.96 0.828
assign (resid 42 and name HG*)(resid 42 and name HA) 3.01 1.21 0.903
assign (resid 44 and name HA)(resid 23 and name HB*) 4.12 2.32 1.236
assign (resid 44 and name HA)(resid 3 and name HB*) 3.63 1.83 1.089
assign (resid 44 and name HA)(resid 43 and name HA*) 3.89 2.09 1.167
assign (resid 44 and name HA)(resid 43 and name HA*) 4.06 2.26 1.218
assign (resid 44 and name HA)(resid 44 and name HB*) 2.65 0.85 0.795
assign (resid 44 and name HA)(resid 44 and name HB*) 2.70 0.9 0.81
assign (resid 44 and name HA)(resid 45 and name HA) 3.49 1.69 1.047
assign (resid 44 and name HA)(resid 45 and name HB*) 3.25 1.45 0.975
assign (resid 45 and name HA)(resid 45 and name HB*) 2.13 0.33 0.639
assign (resid 46 and name HA)(resid 46 and name HB*) 2.08 0.28 0.624
assign (resid 46 and name HA)(resid 47 and name HG2#) 4.02 2.22 1.206
assign (resid 47 and name HA)(resid 47 and name HB*) 2.04 0.24 0.612
assign (resid 47 and name HA)(resid 48 and name HB*) 3.59 1.79 1.077
assign (resid 47 and name HB*)(resid 46 and name HB*) 3.41 1.61 1.023
assign (resid 47 and name HB*)(resid 47 and name HG2#) 2.15 0.35 0.645
assign (resid 48 and name HA)(resid 48 and name HB*) 2.61 0.81 0.783
assign (resid 48 and name HA)(resid 48 and name HB*) 2.71 0.91 0.813
assign (resid 5 and name HA)(resid 4 and name HB*) 3.56 1.76 1.068
assign (resid 5 and name HA)(resid 4 and name HB*) 3.66 1.86 1.098
assign (resid 5 and name HA)(resid 42 and name HD*) 2.97 1.17 0.891
assign (resid 5 and name HA)(resid 42 and name HG*) 3.02 1.22 0.906
assign (resid 5 and name HA)(resid 5 and name HB*) 1.99 0.19 0.597
assign (resid 5 and name HA)(resid 5 and name HG2#) 2.49 0.69 0.747
assign (resid 5 and name HA)(resid 6 and name HG2#) 3.12 1.32 0.936
assign (resid 5 and name HB*)(resid 5 and name HG2#) 2.10 0.3 0.63
assign (resid 5 and name HG2#)(resid 185 and name HD*) 3.31 1.51 0.993
assign (resid 50 and name HA)(resid 50 and name HB*) 1.80 0 0.54
assign (resid 51 and name HA)(resid 57 and name HG*) 2.43 0.63 0.729
assign (resid 51 and name HA)(resid 57 and name HG*) 3.32 1.52 0.996
assign (resid 54 and name HA)(resid 54 and name HB*) 2.39 0.59 0.717
assign (resid 54 and name HA)(resid 54 and name HB*) 2.45 0.65 0.735
assign (resid 55 and name HA)(resid 28 and name HB*) 2.63 0.83 0.789
assign (resid 55 and name HA)(resid 54 and name HB*) 3.39 1.59 1.017
assign (resid 55 and name HA)(resid 55 and name HB*) 2.60 0.8 0.78
assign (resid 55 and name HA)(resid 55 and name HB*) 2.75 0.95 0.825
assign (resid 55 and name HA)(resid 55 and name HB*) 2.87 1.07 0.861
assign (resid 55 and name HA)(resid 55 and name HG*) 2.74 0.94 0.822
assign (resid 55 and name HA)(resid 56 and name HB*) 3.64 1.84 1.092
assign (resid 56 and name HA)(resid 56 and name HG*) 2.38 0.58 0.714
assign (resid 56 and name HA)(resid 56 and name HG*) 2.50 0.7 0.75
assign (resid 57 and name HA)(resid 56 and name HA) 3.83 2.03 1.149
assign (resid 57 and name HA)(resid 57 and name HG*) 2.32 0.52 0.696
assign (resid 57 and name HA)(resid 57 and name HG*) 2.36 0.56 0.708
assign (resid 58 and name HA)(resid 57 and name HG*) 2.75 0.95 0.825
assign (resid 58 and name HA)(resid 58 and name HB*) 2.40 0.6 0.72
assign (resid 58 and name HA)(resid 58 and name HB*) 4.06 2.26 1.218
assign (resid 58 and name HA)(resid 58 and name HG2#) 1.82 0.02 0.546
assign (resid 58 and name HB*)(resid 58 and name HG2#) 1.90 0.1 0.57
assign (resid 59 and name HA)(resid 22 and name HD*) 3.52 1.72 1.056
assign (resid 59 and name HA)(resid 22 and name HD*) 3.58 1.78 1.074
assign (resid 59 and name HA)(resid 23 and name HB*) 4.26 2.46 1.278
assign (resid 59 and name HA)(resid 23 and name HB*) 4.51 2.71 1.353
assign (resid 59 and name HA)(resid 24 and name HB*) 3.07 1.27 0.921
assign (resid 59 and name HA)(resid 58 and name HA) 3.82 2.02 1.146
assign (resid 59 and name HA)(resid 58 and name HB*) 4.12 2.32 1.236
assign (resid 59 and name HA)(resid 59 and name HB*) 2.53 0.73 0.759
assign (resid 59 and name HA)(resid 59 and name HB*) 2.56 0.76 0.768
assign (resid 59 and name HA)(resid 60 and name HA) 3.93 2.13 1.179
assign (resid 59 and name HA)(resid 60 and name HB*) 4.29 2.49 1.287
assign (resid 59 and name HA)(resid 60 and name HB*) 4.32 2.52 1.296
assign (resid 59 and name HB*)(resid 48 and name HB*) 3.50 1.7 1.05
assign (resid 59 and name HB*)(resid 48 and name HB*) 3.71 1.91 1.113
assign (resid 59 and name HB*)(resid 59 and name HB*) 2.05 0.25 0.615
assign (resid 6 and name HA)(resid 11 and name HA) 2.73 0.93 0.819
assign (resid 6 and name HA)(resid 11 and name HG*) 2.63 0.83 0.789
assign (resid 6 and name HA)(resid 11 and name HG*) 2.85 1.05 0.855
assign (resid 6 and name HA)(resid 189 and name HB*) 3.94 2.14 1.182
assign (resid 6 and name HA)(resid 5 and name HG2#) 3.37 1.57 1.011
assign (resid 6 and name HA)(resid 6 and name HG2#) 2.19 0.39 0.657
assign (resid 6 and name HB*)(resid 11 and name HG*) 3.57 1.77 1.071
assign (resid 6 and name HB*)(resid 11 and name HG*) 3.72 1.92 1.116
assign (resid 6 and name HB*)(resid 189 and name HB*) 3.59 1.79 1.077
assign (resid 6 and name HB*)(resid 189 and name HB*) 3.77 1.97 1.131
assign (resid 6 and name HB*)(resid 189 and name HB*) 3.8 2 1.14
assign (resid 6 and name HB*)(resid 41 and name HA) 3.45 1.65 1.035
assign (resid 6 and name HB*)(resid 42 and name HD*) 3.79 1.99 1.137
assign (resid 6 and name HB*)(resid 42 and name HG*) 3.58 1.78 1.074
assign (resid 6 and name HB*)(resid 6 and name HA) 2.37 0.57 0.711
assign (resid 6 and name HB*)(resid 6 and name HG2#) 2.34 0.54 0.702
assign (resid 6 and name HB*)(resid 7 and name HA) 4.19 2.39 1.257
assign (resid 6 and name HB*)(resid 7 and name HB*) 4.55 2.75 1.365
assign (resid 6 and name HG2#)(resid 11 and name HG*) 2.55 0.75 0.765
assign (resid 6 and name HG2#)(resid 42 and name HD*) 2.36 0.56 0.708
assign (resid 60 and name HA)(resid 60 and name HB*) 2.14 0.34 0.642
assign (resid 60 and name HA)(resid 60 and name HB*) 2.16 0.36 0.648
assign (resid 61 and name HA)(resid 22 and name HB*) 3.31 1.51 0.993
assign (resid 61 and name HA)(resid 22 and name HB*) 3.55 1.75 1.065
assign (resid 61 and name HA)(resid 22 and name HD*) 2.06 0.26 0.618
assign (resid 61 and name HA)(resid 22 and name HD*) 2.50 0.7 0.75
assign (resid 61 and name HA)(resid 22 and name HG*) 3.53 1.73 1.059
assign (resid 61 and name HA)(resid 23 and name HB*) 4.07 2.27 1.221
assign (resid 61 and name HA)(resid 35 and name HB2o2) 3.86 2.06 1.158
assign (resid 61 and name HA)(resid 61 and name HB*) 2.12 0.32 0.636
assign (resid 61 and name HA)(resid 61 and name HB*) 2.14 0.34 0.642
assign (resid 61 and name HA)(resid 62 and name HA) 3.40 1.6 1.02
assign (resid 61 and name HA)(resid 62 and name HG*) 3.41 1.61 1.023
assign (resid 61 and name HB*)(resid 22 and name HG*) 2.82 1.02 0.846
assign (resid 62 and name HA)(resid 61 and name HB*) 4.04 2.24 1.212
assign (resid 62 and name HA)(resid 62 and name HB*) 1.90 0.1 0.57
assign (resid 63 and name HA)(resid 63 and name HB*) 2.40 0.6 0.72
assign (resid 63 and name HA)(resid 63 and name HB*) 2.61 0.81 0.783
assign (resid 65 and name HA)(resid 64 and name HA) 3.72 1.92 1.116
assign (resid 65 and name HA)(resid 65 and name HB*) 2.03 0.23 0.609
assign (resid 65 and name HA)(resid 65 and name HB*) 2.14 0.34 0.642
assign (resid 66 and name HA)(resid 65 and name HA) 3.64 1.84 1.092
assign (resid 66 and name HA)(resid 66 and name HB*) 2.27 0.47 0.681
assign (resid 66 and name HA)(resid 66 and name HB*) 2.29 0.49 0.687
assign (resid 68 and name HA)(resid 40 and name HG*) 2.75 0.95 0.825
assign (resid 68 and name HA)(resid 42 and name HD*) 2.76 0.96 0.828
assign (resid 68 and name HA)(resid 42 and name HD*) 3.10 1.3 0.93
assign (resid 68 and name HA)(resid 42 and name HD*) 3.72 1.92 1.116
assign (resid 68 and name HA)(resid 68 and name HB*) 2.75 0.95 0.825
assign (resid 68 and name HA)(resid 68 and name HB*) 2.90 1.1 0.87
assign (resid 7 and name HA)(resid 7 and name HB*) 2.22 0.42 0.666
assign (resid 7 and name HA)(resid 8 and name HG2#) 3.81 2.01 1.143
assign (resid 7 and name HB*)(resid 185 and name HD*) 3.31 1.51 0.993
assign (resid 70 and name HA)(resid 70 and name HB*) 2.18 0.38 0.654
assign (resid 70 and name HA)(resid 70 and name HB*) 2.45 0.65 0.735
assign (resid 70 and name HA)(resid 70 and name HG*) 2.58 0.78 0.774
assign (resid 8 and name HA)(resid 8 and name HG2#) 3.16 1.36 0.948
assign (resid 8 and name HG2#)(resid 185 and name HD*) 3.31 1.51 0.993
assign (resid 9 and name HA)(resid 9 and name HB*) 2.81 1.01 0.843

!############### Distance Constraints for Cys-Cys bridges #################
assign (resid  3 and  name    SG)(resid  23 and  name    SG) 2.02 0.1 0.1
assign (resid  16 and  name    SG)(resid  44 and  name    SG) 2.02 0.1 0.1
assign (resid  29 and  name    SG)(resid  33 and  name    SG) 2.02 0.1 0.1
assign (resid  48 and  name    SG)(resid  59 and  name    SG) 2.02 0.1 0.1
assign (resid  60 and  name    SG)(resid  65 and  name    SG) 2.02 0.1 0.1
assign (resid  192 and  name    SG)(resid  193 and  name    SG) 2.02 0.1 0.1

!############### NMR Derived Hydrogen-Bond constraints #################
assign (resid 16 and name HN)(resid 1 and name O) 2.05 0.25 0.25
assign (resid 16 and name  N)(resid 1 and name O)  2.9  0.4  0.4
assign (resid 3 and name HN)(resid 14 and name O) 2.05 0.25 0.25
assign (resid 3 and name  N)(resid 14 and name O)  2.9  0.4  0.4
assign (resid 14 and name HN)(resid 3 and name O) 2.05 0.25 0.25
assign (resid 14 and name  N)(resid 3 and name O)  2.9  0.4  0.4
assign (resid 5 and name HN)(resid 12 and name O) 2.05 0.25 0.25
assign (resid 5 and name  N)(resid 12 and name O)  2.9  0.4  0.4
assign (resid 12 and name HN)(resid 5 and name O) 2.05 0.25 0.25
assign (resid 12 and name  N)(resid 5 and name O)  2.9  0.4  0.4
assign (resid 22 and name HN)(resid 45 and name O) 2.05 0.25 0.25
assign (resid 22 and name  N)(resid 45 and name O)  2.9  0.4  0.4
assign (resid 45 and name HN)(resid 22 and name O) 2.05 0.25 0.25
assign (resid 45 and name  N)(resid 22 and name O)  2.9  0.4  0.4
assign (resid 23 and name HN)(resid 60 and name O) 2.05 0.25 0.25
assign (resid 23 and name  N)(resid 60 and name O)  2.9  0.4  0.4
assign (resid 60 and name HN)(resid 23 and name O) 2.05 0.25 0.25
assign (resid 60 and name  N)(resid 23 and name O)  2.9  0.4  0.4
assign (resid 24 and name HN)(resid 43 and name O) 2.05 0.25 0.25
assign (resid 24 and name  N)(resid 43 and name O)  2.9  0.4  0.4
assign (resid 43 and name HN)(resid 24 and name O) 2.05 0.25 0.25
assign (resid 43 and name  N)(resid 24 and name O)  2.9  0.4  0.4
assign (resid 25 and name HN)(resid 58 and name O) 2.05 0.25 0.25
assign (resid 25 and name  N)(resid 58 and name O)  2.9  0.4  0.4
assign (resid 58 and name HN)(resid 25 and name O) 2.05 0.25 0.25
assign (resid 58 and name  N)(resid 25 and name O)  2.9  0.4  0.4
assign (resid 26 and name HN)(resid 41 and name O) 2.05 0.25 0.25
assign (resid 26 and name  N)(resid 41 and name O)  2.9  0.4  0.4
assign (resid 41 and name HN)(resid 26 and name O) 2.05 0.25 0.25
assign (resid 41 and name  N)(resid 26 and name O)  2.9  0.4  0.4
assign (resid 27 and name HN)(resid 56 and name O) 2.05 0.25 0.25
assign (resid 27 and name  N)(resid 56 and name O)  2.9  0.4  0.4
assign (resid 56 and name HN)(resid 27 and name O) 2.05 0.25 0.25
assign (resid 56 and name  N)(resid 27 and name O)  2.9  0.4  0.4
assign (resid 28 and name HN)(resid 39 and name O) 2.05 0.25 0.25
assign (resid 28 and name  N)(resid 39 and name O)  2.9  0.4  0.4
assign (resid 39 and name HN)(resid 28 and name O) 2.05 0.25 0.25
assign (resid 39 and name  N)(resid 28 and name O)  2.9  0.4  0.4
assign (resid 30 and name HN)(resid 37 and name O) 2.05 0.25 0.25
assign (resid 30 and name  N)(resid 37 and name O)  2.9  0.4  0.4
assign (resid 37 and name HN)(resid 30 and name O) 2.05 0.25 0.25
assign (resid 37 and name  N)(resid 30 and name O)  2.9  0.4  0.4
assign (resid 38 and name HN)(resid 191 and name O) 2.05 0.25 0.25
assign (resid 38 and name  N)(resid 191 and name O)  2.9  0.4  0.4
assign (resid 191 and name HN)(resid 38 and name O) 2.05 0.25 0.25
assign (resid 191 and name  N)(resid 38 and name O)  2.9  0.4  0.4
assign (resid 40 and name HN)(resid 189 and name O) 2.05 0.25 0.25
assign (resid 40 and name  N)(resid 189 and name O)  2.9  0.4  0.4
assign (resid 189 and name HN)(resid 40 and name O) 2.05 0.25 0.25
assign (resid 189 and name  N)(resid 40 and name O)  2.9  0.4  0.4
assign (resid 188 and name HN)(resid 198 and name O) 2.05 0.25 0.25
assign (resid 188 and name  N)(resid 198 and name O)  2.9  0.4  0.4
assign (resid 198 and name HN)(resid 188 and name O) 2.05 0.25 0.25
assign (resid 198 and name  N)(resid 188 and name O)  2.9  0.4  0.4
assign (resid 200 and name HN)(resid 186 and name O) 2.05 0.25 0.25
assign (resid 200 and name  N)(resid 186 and name O)  2.9  0.4  0.4
assign (resid 186 and name HN)(resid 200 and name O) 2.05 0.25 0.25
assign (resid 186 and name  N)(resid 200 and name O)  2.9  0.4  0.4


!###############Psi angles from J-couplings#################
!----------------BTX----------------------------------------
assign (resid 1 and name C)(resid 2 and name N)
       (resid 2 and name CA)(resid 2 and name C) 1 -120 20 2
assign (resid 2 and name C)(resid 3 and name N)
       (resid 3 and name CA)(resid 3 and name C) 1 -120 50 2
assign (resid 3 and name C)(resid 4 and name N)
       (resid 4 and name CA)(resid 4 and name C) 1 -120 50 2
assign (resid 4 and name C)(resid 5 and name N)
       (resid 5 and name CA)(resid 5 and name C) 1 -120 50 2
assign (resid 5 and name C)(resid 6 and name N)
       (resid 6 and name CA)(resid 6 and name C) 1 -120 50 2

assign (resid 8 and name C)(resid 9 and name N)
       (resid 9 and name CA)(resid 9 and name C) 1 -120 50 2
assign (resid 7 and name C)(resid 8 and name N)
       (resid 8 and name CA)(resid 8 and name C) 1 -65 25 2

assign (resid 10 and name C)(resid 11 and name N)
       (resid 11 and name CA)(resid 11 and name C) 1 -65 25 2
assign (resid 11 and name C)(resid 12 and name N)
       (resid 12 and name CA)(resid 12 and name C) 1 -120 20 2
assign (resid 12 and name C)(resid 13 and name N)
       (resid 13 and name CA)(resid 13 and name C) 1 -120 50 2
assign (resid 13 and name C)(resid 14 and name N)
       (resid 14 and name CA)(resid 14 and name C) 1 -120 20 2
assign (resid 14 and name C)(resid 15 and name N)
       (resid 15 and name CA)(resid 15 and name C) 1 -120 50 2
assign (resid 15 and name C)(resid 16 and name N)
       (resid 16 and name CA)(resid 16 and name C) 1 -65 25 2

assign (resid 18 and name C)(resid 19 and name N)
       (resid 19 and name CA)(resid 19 and name C) 1 -120 50 2
assign (resid 19 and name C)(resid 20 and name N)
       (resid 20 and name CA)(resid 20 and name C) 1 -120 50 2
assign (resid 20 and name C)(resid 21 and name N)
       (resid 21 and name CA)(resid 21 and name C) 1 -120 50 2
assign (resid 21 and name C)(resid 22 and name N)
       (resid 22 and name CA)(resid 22 and name C) 1 -120 50 2
assign (resid 22 and name C)(resid 23 and name N)
       (resid 23 and name CA)(resid 23 and name C) 1 -120 50 2

assign (resid 24 and name C)(resid 25 and name N)
       (resid 25 and name CA)(resid 25 and name C) 1 -120 50 2
assign (resid 25 and name C)(resid 26 and name N)
       (resid 26 and name CA)(resid 26 and name C) 1 -120 50 2
assign (resid 26 and name C)(resid 27 and name N)
       (resid 27 and name CA)(resid 27 and name C) 1 -120 50 2
assign (resid 27 and name C)(resid 28 and name N)
       (resid 28 and name CA)(resid 28 and name C) 1 -120 50 2
assign (resid 28 and name C)(resid 29 and name N)
       (resid 29 and name CA)(resid 29 and name C) 1 -120 50 2
assign (resid 29 and name C)(resid 30 and name N)
       (resid 30 and name CA)(resid 30 and name C) 1 -120 20 2
!!!assign (resid 30 and name C)(resid 31 and name N)
!!!       (resid 31 and name CA)(resid 31 and name C) 1 -65 25 2
assign (resid 31 and name C)(resid 32 and name N)
       (resid 32 and name CA)(resid 32 and name C) 1 -120 50 2
!!!assign (resid 32 and name C)(resid 33 and name N)
!!!       (resid 33 and name CA)(resid 33 and name C) 1 -65 25 2
assign (resid 33 and name C)(resid 34 and name N)
       (resid 34 and name CA)(resid 34 and name C) 1 -65 25 2
assign (resid 34 and name C)(resid 35 and name N)
       (resid 35 and name CA)(resid 35 and name C) 1 -120 20 2
assign (resid 35 and name C)(resid 36 and name N)
       (resid 36 and name CA)(resid 36 and name C) 1 -120 50 2
assign (resid 36 and name C)(resid 37 and name N)
       (resid 37 and name CA)(resid 37 and name C) 1 -120 50 2
assign (resid 37 and name C)(resid 38 and name N)
       (resid 38 and name CA)(resid 38 and name C) 1 -120 50 2
assign (resid 38 and name C)(resid 39 and name N)
       (resid 39 and name CA)(resid 39 and name C) 1 -120 50 2
assign (resid 39 and name C)(resid 40 and name N)
       (resid 40 and name CA)(resid 40 and name C) 1 -120 20 2
assign (resid 40 and name C)(resid 41 and name N)
       (resid 41 and name CA)(resid 41 and name C) 1 -120 50 2
assign (resid 41 and name C)(resid 42 and name N)
       (resid 42 and name CA)(resid 42 and name C) 1 -120 50 2
assign (resid 42 and name C)(resid 43 and name N)
       (resid 43 and name CA)(resid 43 and name C) 1 -120 50 2
assign (resid 43 and name C)(resid 44 and name N)
       (resid 44 and name CA)(resid 44 and name C) 1 -120 50 2
assign (resid 44 and name C)(resid 45 and name N)
       (resid 45 and name CA)(resid 45 and name C) 1 -120 50 2
assign (resid 45 and name C)(resid 46 and name N)
       (resid 46 and name CA)(resid 46 and name C) 1 -120 50 2
assign (resid 46 and name C)(resid 47 and name N)
       (resid 47 and name CA)(resid 47 and name C) 1 -120 50 2
assign (resid 47 and name C)(resid 48 and name N)
       (resid 48 and name CA)(resid 48 and name C) 1 -65 25 2

assign (resid 49 and name C)(resid 50 and name N)
       (resid 50 and name CA)(resid 50 and name C) 1 -65 25 2
assign (resid 50 and name C)(resid 51 and name N)
       (resid 51 and name CA)(resid 51 and name C) 1 -65 25 2
assign (resid 51 and name C)(resid 52 and name N)
       (resid 52 and name CA)(resid 52 and name C) 1 -65 25 2

!assign (resid 53 and name C)(resid 54 and name N)
!       (resid 54 and name CA)(resid 54 and name C) 1 -120 50 2
assign (resid 54 and name C)(resid 55 and name N)
       (resid 55 and name CA)(resid 55 and name C) 1 -120 50 2
assign (resid 55 and name C)(resid 56 and name N)
       (resid 56 and name CA)(resid 56 and name C) 1 -120 50 2
assign (resid 56 and name C)(resid 57 and name N)
       (resid 57 and name CA)(resid 57 and name C) 1 -120 50 2
assign (resid 57 and name C)(resid 58 and name N)
       (resid 58 and name CA)(resid 58 and name C) 1 -120 50 2
assign (resid 58 and name C)(resid 59 and name N)
       (resid 59 and name CA)(resid 59 and name C) 1 -120 50 2
assign (resid 59 and name C)(resid 60 and name N)
       (resid 60 and name CA)(resid 60 and name C) 1 -120 20 2
assign (resid 60 and name C)(resid 61 and name N)
       (resid 61 and name CA)(resid 61 and name C) 1 -120 50 2
assign (resid 61 and name C)(resid 62 and name N)
       (resid 62 and name CA)(resid 62 and name C) 1 -120 50 2
assign (resid 62 and name C)(resid 63 and name N)
       (resid 63 and name CA)(resid 63 and name C) 1 -65 25 2

assign (resid 64 and name C)(resid 65 and name N)
       (resid 65 and name CA)(resid 65 and name C) 1 -65 25 2
assign (resid 65 and name C)(resid 66 and name N)
       (resid 66 and name CA)(resid 66 and name C) 1 -120 50 2

assign (resid 69 and name C)(resid 70 and name N)
       (resid 70 and name CA)(resid 70 and name C) 1 -120 50 2
assign (resid 70 and name C)(resid 71 and name N)
       (resid 71 and name CA)(resid 71 and name C) 1 -120 50 2

assign (resid 73 and name C)(resid 74 and name N)
       (resid 74 and name CA)(resid 74 and name C) 1 -65 25 2
!----------------------Peptide--------------------------------
assign (resid 180 and name C)(resid 181 and name N)
       (resid 181 and name CA)(resid 181 and name C) 1 -120 50 2

assign (resid 182 and name C)(resid 183 and name N)
       (resid 183 and name CA)(resid 183 and name C) 1 -120 20 2

assign (resid 184 and name C)(resid 185 and name N)
       (resid 185 and name CA)(resid 185 and name C) 1 -120 20 2
assign (resid 185 and name C)(resid 186 and name N)
       (resid 186 and name CA)(resid 186 and name C) 1 -120 20 2
assign (resid 186 and name C)(resid 187 and name N)
       (resid 187 and name CA)(resid 187 and name C) 1 -120 20 2
assign (resid 187 and name C)(resid 188 and name N)
       (resid 188 and name CA)(resid 188 and name C) 1 -120 50 2
assign (resid 188 and name C)(resid 189 and name N)
       (resid 189 and name CA)(resid 189 and name C) 1 -120 20 2
assign (resid 189 and name C)(resid 190 and name N)
       (resid 190 and name CA)(resid 190 and name C) 1 -120 20 2
assign (resid 190 and name C)(resid 191 and name N)
       (resid 191 and name CA)(resid 191 and name C) 1 -120 50 2

assign (resid 192 and name C)(resid 193 and name N)
       (resid 193 and name CA)(resid 193 and name C) 1 -120 50 2

assign (resid 194 and name C)(resid 195 and name N)
       (resid 195 and name CA)(resid 195 and name C) 1 -120 50 2
assign (resid 195 and name C)(resid 196 and name N)
       (resid 196 and name CA)(resid 196 and name C) 1 -120 20 2

assign (resid 197 and name C)(resid 198 and name N)
       (resid 198 and name CA)(resid 198 and name C) 1 -120 20 2
assign (resid 198 and name C)(resid 199 and name N)
       (resid 199 and name CA)(resid 199 and name C) 1 -120 20 2
assign (resid 199 and name C)(resid 200 and name N)
       (resid 200 and name CA)(resid 200 and name C) 1 -120 50 2
assign (resid 200 and name C)(resid 201 and name N)
       (resid 201 and name CA)(resid 201 and name C) 1 -120 50 2
assign (resid 201 and name C)(resid 202 and name N)
       (resid 202 and name CA)(resid 202 and name C) 1 -120 50 2
assign (resid 202 and name C)(resid 203 and name N)
       (resid 203 and name CA)(resid 203 and name C) 1 -120 50 2
assign (resid 203 and name C)(resid 204 and name N)
       (resid 204 and name CA)(resid 204 and name C) 1 -120 50 2

!################################################################
!###############Stereospecific assignment Ksi angles#############
!----------------------BTX---------------------------------------
assign (resid 2 and name HA)(resid 2 and name CA)
       (resid 2 and name CB)(resid 2 and name HB) 1 180 30 2
assign (resid 3 and name N)(resid 3 and name CA)
       (resid 3 and name CB)(resid 3 and name SG) 1 180 30 2
assign (resid 4 and name N)(resid 4 and name CA)
       (resid 4 and name CB)(resid 4 and name CG) 1 -60 30 2
assign (resid 9 and name N)(resid 9 and name CA)
       (resid 9 and name CB)(resid 9 and name OG) 1 -60 30 2
assign (resid 11 and name HA)(resid 11 and name CA)
       (resid 11 and name CB)(resid 11 and name HB) 1 180 30 2
assign (resid 12 and name N)(resid 12 and name CA)
       (resid 12 and name CB)(resid 12 and name OG) 1 60 30 2
assign (resid 16 and name N)(resid 16 and name CA)
       (resid 16 and name CB)(resid 16 and name SG) 1 -60 30 2
assign (resid 21 and name N)(resid 21 and name CA)
       (resid 21 and name CB)(resid 21 and name CG) 1 -60 30 2
assign (resid 23 and name N)(resid 23 and name CA)
       (resid 23 and name CB)(resid 23 and name SG) 1 -60 30 2
assign (resid 24 and name N)(resid 24 and name CA)
       (resid 24 and name CB)(resid 24 and name CG) 1 60 30 2
!assign (resid 28 and name N)(resid 28 and name CA)
!       (resid 28 and name CB)(resid 28 and name CG) 1 60 30 2
!assign (resid 29 and name N)(resid 29 and name CA)
!       (resid 29 and name CB)(resid 29 and name SG) 1 120 90 2
!assign (resid 32 and name N)(resid 32 and name CA)
!       (resid 32 and name CB)(resid 32 and name CG) 1 -60 30 2
!assign (resid 34 and name N)(resid 34 and name CA)
!       (resid 34 and name CB)(resid 34 and name OG) 1 -120 90 2
assign (resid 35 and name N)(resid 35 and name CA)
       (resid 35 and name CB)(resid 35 and name OG) 1 60 30 2
assign (resid 39 and name HA)(resid 39 and name CA)
       (resid 39 and name CB)(resid 39 and name HB) 1 180 30 2
assign (resid 40 and name HA)(resid 40 and name CA)
       (resid 40 and name CB)(resid 40 and name HB) 1 180 30 2
assign (resid 42 and name N)(resid 42 and name CA)
       (resid 42 and name CB)(resid 42 and name CG) 1 -120 90 2
assign (resid 44 and name N)(resid 44 and name CA)
       (resid 44 and name CB)(resid 44 and name SG) 1 180 30 2
!assign (resid 48 and name N)(resid 48 and name CA)
!       (resid 48 and name CB)(resid 48 and name SG) 1 -120 90 2
assign (resid 50 and name N)(resid 50 and name CA)
       (resid 50 and name CB)(resid 50 and name OG) 1 -60 30 2
assign (resid 51 and name N)(resid 51 and name CA)
       (resid 51 and name CB)(resid 51 and name CG) 1 60 30 2
assign (resid 55 and name N)(resid 55 and name CA)
       (resid 55 and name CB)(resid 55 and name CG) 1 -60 30 2
assign (resid 56 and name N)(resid 56 and name CA)
       (resid 56 and name CB)(resid 56 and name CG) 1 180 30 2
assign (resid 59 and name N)(resid 59 and name CA)
       (resid 59 and name CB)(resid 59 and name SG) 1 -60 30 2
assign (resid 60 and name N)(resid 60 and name CA)
       (resid 60 and name CB)(resid 60 and name SG) 1 60 30 2
assign (resid 63 and name N)(resid 63 and name CA)
       (resid 63 and name CB)(resid 63 and name CG) 1 -60 30 2
assign (resid 65 and name N)(resid 65 and name CA)
       (resid 65 and name CB)(resid 65 and name SG) 1 60 30 2
assign (resid 66 and name N)(resid 66 and name CA)
       (resid 66 and name CB)(resid 66 and name CG) 1 60 30 2
assign (resid 70 and name N)(resid 70 and name CA)
       (resid 70 and name CB)(resid 70 and name CG) 1 -120 90 2
assign (resid 71 and name N)(resid 71 and name CA)
       (resid 71 and name CB)(resid 71 and name CG) 1 -120 90 2
!--------------------------Peptide--------------------------------
assign (resid 181 and name N)(resid 181 and name CA)
       (resid 181 and name CB)(resid 181 and name CG) 1 -120 90 2
assign (resid 182 and name N)(resid 182 and name CA)
       (resid 182 and name CB)(resid 182 and name CG) 1 -120 90 2
assign (resid 184 and name N)(resid 184 and name CA)
       (resid 184 and name CB)(resid 184 and name CG) 1 60 30 2
assign (resid 186 and name N)(resid 186 and name CA)
       (resid 186 and name CB)(resid 186 and name CG) 1 180 30 2
assign (resid 187 and name N)(resid 187 and name CA)
       (resid 187 and name CB)(resid 187 and name CG) 1 -120 90 2
assign (resid 188 and name HA)(resid 188 and name CA)
       (resid 188 and name CB)(resid 188 and name HB) 1 180 30 2
assign (resid 189 and name N)(resid 189 and name CA)
       (resid 189 and name CB)(resid 189 and name CG) 1 -60 30 2
!assign (resid 193 and name N)(resid 193 and name CA)
!       (resid 193 and name CB)(resid 193 and name SG) 1 -60 30 2
assign (resid 195 and name N)(resid 195 and name CA)
       (resid 195 and name CB)(resid 195 and name CG) 1 -60 30 2
assign (resid 204 and name N)(resid 204 and name CA)
       (resid 204 and name CB)(resid 204 and name CG) 1 60 30 2





  Entry H atom name         Submitted Coord H atom name
    1   2H    ILE   1          HT        ILE   1 -12.252  14.203   3.023
    2    H    ILE   1           HT       ILE   1 -10.613  14.706   2.947
    3    HA   ILE   1           HA       ILE   1 -11.172  13.058   4.690
    4    HB   ILE   1           HB       ILE   1 -11.057  11.017   2.508
    5   1HG1  ILE   1          HG12      ILE   1 -13.547  12.385   3.547
    6   2HG1  ILE   1          HG11      ILE   1 -12.987  12.321   1.879
    7   1HG2  ILE   1          HG21      ILE   1 -10.735   9.948   4.496
    8   2HG2  ILE   1          HG22      ILE   1 -12.495   9.892   4.425
    9   3HG2  ILE   1          HG23      ILE   1 -11.692  11.115   5.408
   10   1HD1  ILE   1          HD11      ILE   1 -13.319   9.857   1.942
   11   2HD1  ILE   1          HD12      ILE   1 -14.800  10.799   2.123
   12   3HD1  ILE   1          HD13      ILE   1 -14.049  10.052   3.535
   13    HT   ILE   1           HT       ILE   1 -11.217  13.583   1.802
   14    H    VAL   2           HN       VAL   2  -9.570  11.375   5.233
   15    HA   VAL   2           HA       VAL   2  -6.945  12.172   4.208
   16    HB   VAL   2           HB       VAL   2  -7.769  10.617   6.679
   17   1HG1  VAL   2          HG11      VAL   2  -5.044  11.445   5.681
   18   2HG1  VAL   2          HG12      VAL   2  -5.614   9.821   6.066
   19   3HG1  VAL   2          HG13      VAL   2  -5.362  10.997   7.356
   20   1HG2  VAL   2          HG21      VAL   2  -8.293  12.721   7.318
   21   2HG2  VAL   2          HG22      VAL   2  -7.238  13.471   6.121
   22   3HG2  VAL   2          HG23      VAL   2  -6.558  12.825   7.614
   23    H    CYS   3           HN       CYS   3  -5.303  10.348   3.967
   24    HA   CYS   3           HA       CYS   3  -6.327   7.703   3.638
   25   1HB   CYS   3          HB2       CYS   3  -7.016   9.180   1.556
   26   2HB   CYS   3          HB1       CYS   3  -5.367   8.830   1.050
   27    H    HIS   4           HN       HIS   4  -4.802   6.145   3.222
   28    HA   HIS   4           HA       HIS   4  -2.022   6.980   3.664
   29   1HB   HIS   4          HB2       HIS   4  -3.497   4.377   4.051
   30   2HB   HIS   4          HB1       HIS   4  -1.741   4.451   4.051
   31    HD1  HIS   4           HD1      HIS   4  -1.251   6.924   5.750
   32    HD2  HIS   4           HD2      HIS   4  -4.099   4.040   6.662
   33    HE1  HIS   4           HE1      HIS   4  -1.624   7.112   8.230
   34    HE2  HIS   4           HE2      HIS   4  -3.281   5.293   8.774
   35    H    THR   5           HN       THR   5  -0.450   5.350   2.617
   36    HA   THR   5           HA       THR   5  -1.106   4.114   0.192
   37    HB   THR   5           HB       THR   5  -1.379   6.157  -0.901
   38    HG1  THR   5           HG1      THR   5   0.255   6.166  -2.321
   39   1HG2  THR   5          HG21      THR   5   0.530   7.168   1.041
   40   2HG2  THR   5          HG22      THR   5  -0.798   7.985   0.224
   41   3HG2  THR   5          HG23      THR   5   0.760   7.801  -0.585
   42    H    THR   6           HN       THR   6   0.826   3.332  -0.935
   43    HA   THR   6           HA       THR   6   3.113   3.104   0.854
   44    HB   THR   6           HB       THR   6   3.344   0.872  -0.079
   45    HG1  THR   6           HG1      THR   6   2.480   0.805  -2.028
   46   1HG2  THR   6          HG21      THR   6   1.896   1.274   1.901
   47   2HG2  THR   6          HG22      THR   6   1.526  -0.192   0.986
   48   3HG2  THR   6          HG23      THR   6   0.524   1.246   0.800
   49    H    ALA   7           HN       ALA   7   4.457   4.645  -0.104
   50    HA   ALA   7           HA       ALA   7   5.476   3.901  -2.689
   51   1HB   ALA   7          HB1       ALA   7   3.343   5.244  -2.991
   52   2HB   ALA   7          HB2       ALA   7   4.750   5.690  -3.946
   53   3HB   ALA   7          HB3       ALA   7   4.313   6.635  -2.523
   54    H    THR   8           HN       THR   8   5.602   6.580  -0.270
   55    HA   THR   8           HA       THR   8   8.199   7.345  -1.239
   56    HB   THR   8           HB       THR   8   6.931   9.106  -0.391
   57    HG1  THR   8           HG1      THR   8   8.358  10.003   0.917
   58   1HG2  THR   8          HG21      THR   8   5.491   9.012   1.279
   59   2HG2  THR   8          HG22      THR   8   6.736   8.486   2.408
   60   3HG2  THR   8          HG23      THR   8   5.873   7.298   1.433
   61    H    SER   9           HN       SER   9   9.232   7.849   1.628
   62    HA   SER   9           HA       SER   9  10.909   5.571   1.673
   63   1HB   SER   9          HB2       SER   9  10.604   8.006   3.360
   64   2HB   SER   9          HB1       SER   9  11.395   6.615   4.101
   65    HG   SER   9           HG       SER   9  12.545   8.349   2.617
   66    HA   PRO  10           HA       PRO  10   8.139   3.887   5.034
   67   1HB   PRO  10          HB2       PRO  10   6.833   5.494   6.743
   68   2HB   PRO  10          HB1       PRO  10   8.585   5.292   6.860
   69   1HG   PRO  10          HG2       PRO  10   7.046   7.629   6.003
   70   2HG   PRO  10          HG1       PRO  10   8.750   7.523   6.473
   71   1HD   PRO  10          HD2       PRO  10   7.558   7.489   3.799
   72   2HD   PRO  10          HD1       PRO  10   9.251   7.726   4.267
   73    H    ILE  11           HN       ILE  11   5.546   4.157   5.899
   74    HA   ILE  11           HA       ILE  11   4.041   4.007   3.498
   75    HB   ILE  11           HB       ILE  11   2.893   4.452   6.257
   76   1HG1  ILE  11          HG12      ILE  11   2.856   1.699   5.406
   77   2HG1  ILE  11          HG11      ILE  11   4.510   2.303   5.415
   78   1HG2  ILE  11          HG21      ILE  11   1.186   4.696   4.672
   79   2HG2  ILE  11          HG22      ILE  11   1.038   3.031   5.236
   80   3HG2  ILE  11          HG23      ILE  11   1.800   3.371   3.683
   81   1HD1  ILE  11          HD11      ILE  11   2.891   1.486   7.601
   82   2HD1  ILE  11          HD12      ILE  11   3.294   3.192   7.795
   83   3HD1  ILE  11          HD13      ILE  11   4.578   2.000   7.598
   84    H    SER  12           HN       SER  12   2.842   5.575   2.436
   85    HA   SER  12           HA       SER  12   3.267   8.318   3.334
   86   1HB   SER  12          HB2       SER  12   2.098   8.634   0.934
   87   2HB   SER  12          HB1       SER  12   3.817   8.285   1.089
   88    HG   SER  12           HG       SER  12   2.918   6.863  -0.383
   89    H    ALA  13           HN       ALA  13   1.536   9.838   3.461
   90    HA   ALA  13           HA       ALA  13  -1.184   8.801   3.410
   91   1HB   ALA  13          HB1       ALA  13   0.092   8.624   5.765
   92   2HB   ALA  13          HB2       ALA  13  -1.642   8.906   5.618
   93   3HB   ALA  13          HB3       ALA  13  -0.548  10.262   5.893
   94    H    VAL  14           HN       VAL  14  -2.315  10.231   2.299
   95    HA   VAL  14           HA       VAL  14  -1.993  13.080   2.890
   96    HB   VAL  14           HB       VAL  14  -2.162  13.604   0.445
   97   1HG1  VAL  14          HG11      VAL  14  -0.032  14.019   1.069
   98   2HG1  VAL  14          HG12      VAL  14   0.310  12.612   0.062
   99   3HG1  VAL  14          HG13      VAL  14   0.174  12.433   1.811
  100   1HG2  VAL  14          HG21      VAL  14  -1.124  10.904  -0.210
  101   2HG2  VAL  14          HG22      VAL  14  -2.069  12.024  -1.190
  102   3HG2  VAL  14          HG23      VAL  14  -2.859  11.066   0.062
  103    H    THR  15           HN       THR  15  -3.782  14.387   1.939
  104    HA   THR  15           HA       THR  15  -6.301  12.926   2.219
  105    HB   THR  15           HB       THR  15  -5.555  15.840   2.389
  106    HG1  THR  15           HG1      THR  15  -6.045  15.597   4.461
  107   1HG2  THR  15          HG21      THR  15  -7.573  16.500   1.779
  108   2HG2  THR  15          HG22      THR  15  -8.230  15.606   3.149
  109   3HG2  THR  15          HG23      THR  15  -8.111  14.834   1.569
  110    H    CYS  16           HN       CYS  16  -7.844  12.845   0.623
  111    HA   CYS  16           HA       CYS  16  -6.912  13.483  -2.063
  112   1HB   CYS  16          HB2       CYS  16  -9.516  12.126  -1.407
  113   2HB   CYS  16          HB1       CYS  16  -8.538  11.983  -2.864
  114    HA   PRO  17           HA       PRO  17  -9.248  17.347  -1.693
  115   1HB   PRO  17          HB2       PRO  17  -8.216  17.712  -4.440
  116   2HB   PRO  17          HB1       PRO  17  -8.080  18.770  -3.033
  117   1HG   PRO  17          HG2       PRO  17  -5.977  17.388  -3.918
  118   2HG   PRO  17          HG1       PRO  17  -6.255  17.625  -2.182
  119   1HD   PRO  17          HD2       PRO  17  -6.788  15.215  -3.876
  120   2HD   PRO  17          HD1       PRO  17  -6.116  15.313  -2.239
  121    HA   PRO  18           HA       PRO  18 -11.798  16.590  -5.704
  122   1HB   PRO  18          HB2       PRO  18 -11.378  14.290  -7.093
  123   2HB   PRO  18          HB1       PRO  18 -10.532  15.801  -7.434
  124   1HG   PRO  18          HG2       PRO  18  -9.600  13.403  -5.928
  125   2HG   PRO  18          HG1       PRO  18  -8.704  14.446  -7.045
  126   1HD   PRO  18          HD2       PRO  18  -8.506  14.601  -4.330
  127   2HD   PRO  18          HD1       PRO  18  -8.219  15.977  -5.412
  128    H    GLY  19           HN       GLY  19 -13.257  14.507  -6.591
  129   1HA   GLY  19          HA2       GLY  19 -14.794  13.811  -4.307
  130   2HA   GLY  19          HA1       GLY  19 -15.056  13.230  -5.945
  131    H    GLU  20           HN       GLU  20 -12.283  12.160  -6.075
  132    HA   GLU  20           HA       GLU  20 -12.877   9.579  -4.992
  133   1HB   GLU  20          HB2       GLU  20 -10.904   8.832  -6.109
  134   2HB   GLU  20          HB1       GLU  20 -11.691   9.984  -7.173
  135   1HG   GLU  20          HG2       GLU  20  -9.948  11.542  -5.724
  136   2HG   GLU  20          HG1       GLU  20  -9.055  10.044  -5.983
  137    H    ASN  21           HN       ASN  21 -12.911   9.685  -2.775
  138    HA   ASN  21           HA       ASN  21 -10.346  10.345  -1.480
  139   1HB   ASN  21          HB2       ASN  21 -12.861  10.436   0.110
  140   2HB   ASN  21          HB1       ASN  21 -11.395  11.395   0.275
  141   1HD2  ASN  21          HD21      ASN  21 -14.476  11.105  -1.198
  142   2HD2  ASN  21          HD22      ASN  21 -14.518  12.667  -1.939
  143    H    LEU  22           HN       LEU  22 -12.215   7.859  -2.388
  144    HA   LEU  22           HA       LEU  22 -12.389   6.317  -0.024
  145   1HB   LEU  22          HB2       LEU  22 -13.069   6.033  -2.803
  146   2HB   LEU  22          HB1       LEU  22 -12.283   4.572  -2.233
  147    HG   LEU  22           HG       LEU  22 -13.950   4.637  -0.292
  148   1HD1  LEU  22          HD11      LEU  22 -14.879   6.762  -0.360
  149   2HD1  LEU  22          HD12      LEU  22 -16.133   5.749  -1.076
  150   3HD1  LEU  22          HD13      LEU  22 -15.088   6.723  -2.111
  151   1HD2  LEU  22          HD21      LEU  22 -15.821   3.856  -2.008
  152   2HD2  LEU  22          HD22      LEU  22 -14.377   2.894  -1.690
  153   3HD2  LEU  22          HD23      LEU  22 -14.457   3.918  -3.124
  154    H    CYS  23           HN       CYS  23 -10.971   4.977   0.911
  155    HA   CYS  23           HA       CYS  23  -8.284   4.813  -0.234
  156   1HB   CYS  23          HB2       CYS  23  -9.281   4.239   2.545
  157   2HB   CYS  23          HB1       CYS  23  -7.618   4.069   2.027
  158    H    TYR  24           HN       TYR  24  -7.953   3.056  -1.452
  159    HA   TYR  24           HA       TYR  24  -9.396   0.615  -0.776
  160   1HB   TYR  24          HB2       TYR  24  -8.783  -0.208  -2.959
  161   2HB   TYR  24          HB1       TYR  24  -9.449   1.414  -3.119
  162    HD1  TYR  24           HD1      TYR  24  -8.017   3.296  -3.676
  163    HD2  TYR  24           HD2      TYR  24  -6.465  -0.661  -3.450
  164    HE1  TYR  24           HE1      TYR  24  -6.005   4.015  -4.885
  165    HE2  TYR  24           HE2      TYR  24  -4.460   0.046  -4.646
  166    HH   TYR  24           HH       TYR  24  -3.815   3.406  -5.367
  167    H    ARG  25           HN       ARG  25  -8.406  -1.351  -0.539
  168    HA   ARG  25           HA       ARG  25  -5.572  -1.272   0.254
  169   1HB   ARG  25          HB2       ARG  25  -7.038  -1.533   2.180
  170   2HB   ARG  25          HB1       ARG  25  -7.873  -2.865   1.399
  171   1HG   ARG  25          HG2       ARG  25  -6.372  -4.344   2.099
  172   2HG   ARG  25          HG1       ARG  25  -5.019  -3.328   1.597
  173   1HD   ARG  25          HD2       ARG  25  -6.374  -2.235   3.911
  174   2HD   ARG  25          HD1       ARG  25  -5.814  -3.881   4.205
  175    HE   ARG  25           HE       ARG  25  -4.196  -1.535   3.857
  176   1HH1  ARG  25          HH11      ARG  25  -4.299  -5.012   3.723
  177   2HH1  ARG  25          HH12      ARG  25  -2.581  -5.197   3.811
  178   1HH2  ARG  25          HH21      ARG  25  -1.926  -1.768   3.962
  179   2HH2  ARG  25          HH22      ARG  25  -1.236  -3.355   3.950
  180    H    LYS  26           HN       LYS  26  -5.000  -1.869  -1.913
  181    HA   LYS  26           HA       LYS  26  -6.013  -4.314  -3.044
  182   1HB   LYS  26          HB2       LYS  26  -5.417  -2.560  -4.550
  183   2HB   LYS  26          HB1       LYS  26  -3.814  -2.419  -3.851
  184   1HG   LYS  26          HG2       LYS  26  -3.101  -3.741  -5.478
  185   2HG   LYS  26          HG1       LYS  26  -3.968  -5.061  -4.698
  186   1HD   LYS  26          HD2       LYS  26  -5.296  -3.187  -6.634
  187   2HD   LYS  26          HD1       LYS  26  -4.465  -4.653  -7.158
  188   1HE   LYS  26          HE2       LYS  26  -5.928  -5.873  -5.456
  189   2HE   LYS  26          HE1       LYS  26  -6.890  -4.395  -5.406
  190   1HZ   LYS  26          HZ1       LYS  26  -6.276  -5.728  -7.969
  191   2HZ   LYS  26          HZ2       LYS  26  -7.525  -4.644  -7.613
  192   3HZ   LYS  26          HZ3       LYS  26  -7.585  -6.227  -7.020
  193    H    MET  27           HN       MET  27  -5.082  -6.293  -3.136
  194    HA   MET  27           HA       MET  27  -2.382  -6.703  -2.225
  195   1HB   MET  27          HB2       MET  27  -4.578  -8.087  -0.699
  196   2HB   MET  27          HB1       MET  27  -2.855  -8.103  -0.357
  197   1HG   MET  27          HG2       MET  27  -2.958  -5.722   0.208
  198   2HG   MET  27          HG1       MET  27  -4.694  -5.736  -0.103
  199   1HE   MET  27          HE1       MET  27  -6.023  -7.699   0.713
  200   2HE   MET  27          HE2       MET  27  -6.384  -7.513   2.429
  201   3HE   MET  27          HE3       MET  27  -5.415  -8.878   1.875
  202    H    TRP  28           HN       TRP  28  -1.487  -8.344  -3.242
  203    HA   TRP  28           HA       TRP  28  -3.159 -10.549  -4.187
  204   1HB   TRP  28          HB2       TRP  28  -2.147 -10.577  -6.379
  205   2HB   TRP  28          HB1       TRP  28  -2.887  -9.010  -6.093
  206    HD1  TRP  28           HD1      TRP  28   0.533 -10.671  -6.416
  207    HE1  TRP  28           HE1      TRP  28   2.274  -8.833  -6.942
  208    HE3  TRP  28           HE3      TRP  28  -2.436  -6.606  -5.797
  209    HZ2  TRP  28           HZ2      TRP  28   2.345  -5.991  -7.063
  210    HZ3  TRP  28           HZ3      TRP  28  -1.486  -4.370  -6.115
  211    HH2  TRP  28           HH2      TRP  28   0.856  -4.052  -6.718
  212    H    CYS  29           HN       CYS  29  -0.946 -11.833  -5.585
  213    HA   CYS  29           HA       CYS  29   0.607 -12.558  -3.197
  214   1HB   CYS  29          HB2       CYS  29  -0.939 -14.169  -4.855
  215   2HB   CYS  29          HB1       CYS  29   0.716 -14.513  -5.346
  216    H    ASP  30           HN       ASP  30   2.638 -12.070  -3.114
  217    HA   ASP  30           HA       ASP  30   4.238 -12.188  -5.548
  218   1HB   ASP  30          HB2       ASP  30   3.389  -9.781  -4.841
  219   2HB   ASP  30          HB1       ASP  30   4.752  -9.891  -3.730
  220    H    ALA  31           HN       ALA  31   4.983 -14.101  -4.621
  221    HA   ALA  31           HA       ALA  31   6.902 -15.087  -3.798
  222   1HB   ALA  31          HB1       ALA  31   8.473 -13.954  -2.743
  223   2HB   ALA  31          HB2       ALA  31   7.352 -13.346  -1.531
  224   3HB   ALA  31          HB3       ALA  31   7.487 -12.540  -3.090
  225    H    PHE  32           HN       PHE  32   4.269 -13.931  -1.676
  226    HA   PHE  32           HA       PHE  32   4.840 -15.809   0.388
  227   1HB   PHE  32          HB2       PHE  32   2.998 -13.847   0.171
  228   2HB   PHE  32          HB1       PHE  32   1.991 -15.233  -0.178
  229    HD1  PHE  32           HD1      PHE  32   0.641 -15.238   1.756
  230    HD2  PHE  32           HD2      PHE  32   4.882 -15.189   2.115
  231    HE1  PHE  32           HE1      PHE  32   0.436 -15.705   4.163
  232    HE2  PHE  32           HE2      PHE  32   4.684 -15.659   4.527
  233    HZ   PHE  32           HZ       PHE  32   2.459 -15.917   5.552
  234    H    CYS  33           HN       CYS  33   3.290 -15.864  -2.680
  235    HA   CYS  33           HA       CYS  33   2.276 -18.533  -2.447
  236   1HB   CYS  33          HB2       CYS  33   2.502 -16.476  -4.629
  237   2HB   CYS  33          HB1       CYS  33   2.155 -18.152  -5.057
  238    H    SER  34           HN       SER  34   5.076 -16.833  -3.590
  239    HA   SER  34           HA       SER  34   6.384 -19.265  -4.510
  240   1HB   SER  34          HB2       SER  34   6.522 -16.554  -5.277
  241   2HB   SER  34          HB1       SER  34   8.085 -16.935  -4.555
  242    HG   SER  34           HG       SER  34   6.875 -17.966  -6.848
  243    H    SER  35           HN       SER  35   7.655 -16.504  -2.628
  244    HA   SER  35           HA       SER  35   8.524 -18.353  -0.537
  245   1HB   SER  35          HB2       SER  35  10.828 -17.377  -0.589
  246   2HB   SER  35          HB1       SER  35  10.406 -18.346  -2.000
  247    HG   SER  35           HG       SER  35   9.993 -16.409  -3.123
  248    H    ARG  36           HN       ARG  36   8.700 -14.849  -1.401
  249    HA   ARG  36           HA       ARG  36   9.066 -14.094   1.310
  250   1HB   ARG  36          HB2       ARG  36   8.209 -12.076  -0.728
  251   2HB   ARG  36          HB1       ARG  36   9.275 -11.892   0.647
  252   1HG   ARG  36          HG2       ARG  36  10.900 -13.390  -0.578
  253   2HG   ARG  36          HG1       ARG  36   9.867 -13.183  -1.990
  254   1HD   ARG  36          HD2       ARG  36  10.776 -11.208  -2.428
  255   2HD   ARG  36          HD1       ARG  36  10.376 -10.626  -0.814
  256    HE   ARG  36           HE       ARG  36  12.586 -12.102  -0.376
  257   1HH1  ARG  36          HH11      ARG  36  11.861  -9.570  -2.667
  258   2HH1  ARG  36          HH12      ARG  36  13.496  -9.008  -2.752
  259   1HH2  ARG  36          HH21      ARG  36  14.736 -11.364  -0.488
  260   2HH2  ARG  36          HH22      ARG  36  15.129 -10.027  -1.516
  261    H    GLY  37           HN       GLY  37   6.466 -12.360  -0.487
  262   1HA   GLY  37          HA2       GLY  37   4.480 -13.452   1.311
  263   2HA   GLY  37          HA1       GLY  37   4.971 -11.826   1.712
  264    H    LYS  38           HN       LYS  38   2.480 -11.804   1.355
  265    HA   LYS  38           HA       LYS  38   1.675 -11.620  -1.412
  266   1HB   LYS  38          HB2       LYS  38   0.366 -11.653   1.202
  267   2HB   LYS  38          HB1       LYS  38  -0.333 -10.459   0.118
  268   1HG   LYS  38          HG2       LYS  38  -1.454 -12.039  -0.946
  269   2HG   LYS  38          HG1       LYS  38   0.046 -12.889  -1.320
  270   1HD   LYS  38          HD2       LYS  38  -0.351 -14.456   0.222
  271   2HD   LYS  38          HD1       LYS  38  -0.757 -13.253   1.447
  272   1HE   LYS  38          HE2       LYS  38  -3.000 -13.036   0.278
  273   2HE   LYS  38          HE1       LYS  38  -2.559 -14.488  -0.621
  274   1HZ   LYS  38          HZ1       LYS  38  -2.112 -15.398   1.773
  275   2HZ   LYS  38          HZ2       LYS  38  -3.677 -15.391   1.133
  276   3HZ   LYS  38          HZ3       LYS  38  -3.205 -14.187   2.223
  277    H    VAL  39           HN       VAL  39   1.190  -9.686  -2.503
  278    HA   VAL  39           HA       VAL  39   2.707  -7.418  -1.558
  279    HB   VAL  39           HB       VAL  39   1.388  -8.199  -4.080
  280   1HG1  VAL  39          HG11      VAL  39   2.040  -5.679  -4.760
  281   2HG1  VAL  39          HG12      VAL  39   1.514  -5.391  -3.115
  282   3HG1  VAL  39          HG13      VAL  39   0.413  -6.141  -4.268
  283   1HG2  VAL  39          HG21      VAL  39   3.909  -8.273  -3.285
  284   2HG2  VAL  39          HG22      VAL  39   3.900  -6.613  -3.875
  285   3HG2  VAL  39          HG23      VAL  39   3.489  -7.936  -4.964
  286    H    VAL  40           HN       VAL  40   1.975  -5.363  -1.208
  287    HA   VAL  40           HA       VAL  40  -0.899  -4.960  -0.850
  288    HB   VAL  40           HB       VAL  40   1.041  -4.081   1.275
  289   1HG1  VAL  40          HG11      VAL  40  -1.819  -3.865   0.801
  290   2HG1  VAL  40          HG12      VAL  40  -0.783  -2.962   1.906
  291   3HG1  VAL  40          HG13      VAL  40  -1.440  -4.524   2.391
  292   1HG2  VAL  40          HG21      VAL  40  -0.637  -6.571   1.404
  293   2HG2  VAL  40          HG22      VAL  40   0.539  -6.008   2.593
  294   3HG2  VAL  40          HG23      VAL  40   1.079  -6.578   1.013
  295    H    GLU  41           HN       GLU  41  -1.507  -3.117  -1.746
  296    HA   GLU  41           HA       GLU  41   0.366  -0.865  -1.781
  297   1HB   GLU  41          HB2       GLU  41  -1.152  -0.351  -3.992
  298   2HB   GLU  41          HB1       GLU  41   0.482  -0.989  -4.006
  299   1HG   GLU  41          HG2       GLU  41  -0.385  -3.245  -4.192
  300   2HG   GLU  41          HG1       GLU  41  -2.036  -2.625  -4.116
  301    H    LEU  42           HN       LEU  42  -0.450   0.830  -0.769
  302    HA   LEU  42           HA       LEU  42  -3.327   0.957  -0.249
  303   1HB   LEU  42          HB2       LEU  42  -1.067   2.599   0.897
  304   2HB   LEU  42          HB1       LEU  42  -2.734   2.658   1.423
  305    HG   LEU  42           HG       LEU  42  -0.707   0.493   1.842
  306   1HD1  LEU  42          HD11      LEU  42  -0.537   1.877   3.633
  307   2HD1  LEU  42          HD12      LEU  42  -1.839   0.832   4.201
  308   3HD1  LEU  42          HD13      LEU  42  -2.212   2.415   3.520
  309   1HD2  LEU  42          HD21      LEU  42  -2.331  -1.021   1.544
  310   2HD2  LEU  42          HD22      LEU  42  -3.596   0.208   1.534
  311   3HD2  LEU  42          HD23      LEU  42  -2.982  -0.412   3.064
  312    H    GLY  43           HN       GLY  43  -4.635   2.530  -1.141
  313   1HA   GLY  43          HA2       GLY  43  -3.393   4.905  -2.275
  314   2HA   GLY  43          HA1       GLY  43  -4.085   3.808  -3.452
  315    H    CYS  44           HN       CYS  44  -5.074   6.155  -3.635
  316    HA   CYS  44           HA       CYS  44  -7.654   6.109  -2.216
  317   1HB   CYS  44          HB2       CYS  44  -6.344   8.008  -1.458
  318   2HB   CYS  44          HB1       CYS  44  -6.020   8.491  -3.118
  319    H    ALA  45           HN       ALA  45  -9.305   5.681  -3.543
  320    HA   ALA  45           HA       ALA  45  -9.148   6.611  -6.333
  321   1HB   ALA  45          HB1       ALA  45 -10.414   4.003  -5.553
  322   2HB   ALA  45          HB2       ALA  45  -8.719   4.131  -6.021
  323   3HB   ALA  45          HB3       ALA  45  -9.986   4.577  -7.164
  324    H    ALA  46           HN       ALA  46 -11.440   6.214  -7.375
  325    HA   ALA  46           HA       ALA  46 -13.478   7.277  -5.534
  326   1HB   ALA  46          HB1       ALA  46 -14.198   8.141  -8.067
  327   2HB   ALA  46          HB2       ALA  46 -12.449   8.363  -8.020
  328   3HB   ALA  46          HB3       ALA  46 -13.467   9.118  -6.795
  329    H    THR  47           HN       THR  47 -12.655   5.166  -8.183
  330    HA   THR  47           HA       THR  47 -15.348   4.012  -8.065
  331    HB   THR  47           HB       THR  47 -14.839   5.142 -10.218
  332    HG1  THR  47           HG1      THR  47 -16.179   3.193 -10.047
  333   1HG2  THR  47          HG21      THR  47 -12.837   4.934 -11.126
  334   2HG2  THR  47          HG22      THR  47 -13.231   3.252 -11.489
  335   3HG2  THR  47          HG23      THR  47 -12.401   3.660  -9.985
  336    H    CYS  48           HN       CYS  48 -13.728   3.046  -6.236
  337    HA   CYS  48           HA       CYS  48 -11.848   1.155  -6.603
  338   1HB   CYS  48          HB2       CYS  48 -12.953   1.839  -4.430
  339   2HB   CYS  48          HB1       CYS  48 -14.217   0.670  -4.796
  340    HA   PRO  49           HA       PRO  49 -14.135  -1.566  -9.458
  341   1HB   PRO  49          HB2       PRO  49 -11.938  -2.816 -10.436
  342   2HB   PRO  49          HB1       PRO  49 -12.470  -1.229 -11.003
  343   1HG   PRO  49          HG2       PRO  49 -10.329  -1.914  -9.025
  344   2HG   PRO  49          HG1       PRO  49 -10.298  -0.723 -10.339
  345   1HD   PRO  49          HD2       PRO  49 -10.735  -0.030  -7.760
  346   2HD   PRO  49          HD1       PRO  49 -11.473   0.841  -9.120
  347    H    SER  50           HN       SER  50 -13.586  -4.059  -9.946
  348    HA   SER  50           HA       SER  50 -13.793  -5.361  -7.353
  349   1HB   SER  50          HB2       SER  50 -14.007  -6.837  -9.950
  350   2HB   SER  50          HB1       SER  50 -14.871  -7.106  -8.436
  351    HG   SER  50           HG       SER  50 -16.062  -5.215  -8.857
  352    H    LYS  51           HN       LYS  51 -12.377  -6.796  -6.529
  353    HA   LYS  51           HA       LYS  51  -9.762  -6.965  -7.796
  354   1HB   LYS  51          HB2       LYS  51  -9.153  -8.100  -5.599
  355   2HB   LYS  51          HB1       LYS  51  -9.603  -6.408  -5.517
  356   1HG   LYS  51          HG2       LYS  51 -10.614  -7.574  -3.689
  357   2HG   LYS  51          HG1       LYS  51 -11.880  -7.092  -4.813
  358   1HD   LYS  51          HD2       LYS  51 -10.757  -9.750  -5.327
  359   2HD   LYS  51          HD1       LYS  51 -11.563  -9.595  -3.768
  360   1HE   LYS  51          HE2       LYS  51 -12.830  -8.691  -6.340
  361   2HE   LYS  51          HE1       LYS  51 -12.995 -10.337  -5.731
  362   1HZ   LYS  51          HZ1       LYS  51 -14.748  -8.525  -5.140
  363   2HZ   LYS  51          HZ2       LYS  51 -13.629  -8.095  -3.947
  364   3HZ   LYS  51          HZ3       LYS  51 -14.271  -9.659  -3.977
  365    H    LYS  52           HN       LYS  52 -12.346  -8.619  -8.449
  366    HA   LYS  52           HA       LYS  52 -11.834 -11.284  -7.821
  367   1HB   LYS  52          HB2       LYS  52 -13.911 -10.126  -8.928
  368   2HB   LYS  52          HB1       LYS  52 -13.119 -10.614 -10.424
  369   1HG   LYS  52          HG2       LYS  52 -13.354 -12.666  -8.317
  370   2HG   LYS  52          HG1       LYS  52 -14.849 -12.168  -9.116
  371   1HD   LYS  52          HD2       LYS  52 -14.309 -13.652 -10.704
  372   2HD   LYS  52          HD1       LYS  52 -13.092 -12.481 -11.215
  373   1HE   LYS  52          HE2       LYS  52 -11.581 -14.078 -10.837
  374   2HE   LYS  52          HE1       LYS  52 -11.877 -13.812  -9.119
  375   1HZ   LYS  52          HZ1       LYS  52 -12.181 -16.081  -9.404
  376   2HZ   LYS  52          HZ2       LYS  52 -12.995 -15.905 -10.876
  377   3HZ   LYS  52          HZ3       LYS  52 -13.764 -15.484  -9.430
  378    HA   PRO  53           HA       PRO  53  -9.684 -11.085 -12.460
  379   1HB   PRO  53          HB2       PRO  53  -7.866  -9.111 -11.104
  380   2HB   PRO  53          HB1       PRO  53  -8.136  -9.372 -12.833
  381   1HG   PRO  53          HG2       PRO  53  -9.386  -7.400 -11.520
  382   2HG   PRO  53          HG1       PRO  53 -10.189  -8.307 -12.813
  383   1HD   PRO  53          HD2       PRO  53 -10.704  -8.330  -9.926
  384   2HD   PRO  53          HD1       PRO  53 -11.738  -8.890 -11.252
  385    H    TYR  54           HN       TYR  54  -7.948 -10.525  -9.374
  386    HA   TYR  54           HA       TYR  54  -7.212 -13.174  -8.932
  387   1HB   TYR  54          HB2       TYR  54  -5.923 -12.668 -11.115
  388   2HB   TYR  54          HB1       TYR  54  -4.887 -11.677 -10.094
  389    HD1  TYR  54           HD1      TYR  54  -6.014 -15.122 -10.765
  390    HD2  TYR  54           HD2      TYR  54  -3.297 -12.650  -8.610
  391    HE1  TYR  54           HE1      TYR  54  -4.702 -17.110 -10.151
  392    HE2  TYR  54           HE2      TYR  54  -1.977 -14.634  -7.994
  393    HH   TYR  54           HH       TYR  54  -2.211 -17.013  -7.788
  394    H    GLU  55           HN       GLU  55  -7.819 -10.576  -7.526
  395    HA   GLU  55           HA       GLU  55  -5.755 -10.919  -5.530
  396   1HB   GLU  55          HB2       GLU  55  -6.128  -8.086  -6.369
  397   2HB   GLU  55          HB1       GLU  55  -4.746  -8.861  -5.612
  398   1HG   GLU  55          HG2       GLU  55  -4.101  -9.873  -7.687
  399   2HG   GLU  55          HG1       GLU  55  -5.565  -9.285  -8.473
  400    H    GLU  56           HN       GLU  56  -6.203  -8.593  -4.057
  401    HA   GLU  56           HA       GLU  56  -9.063  -8.783  -3.374
  402   1HB   GLU  56          HB2       GLU  56  -7.331  -9.922  -1.794
  403   2HB   GLU  56          HB1       GLU  56  -6.949  -8.278  -1.300
  404   1HG   GLU  56          HG2       GLU  56  -8.779  -8.115  -0.049
  405   2HG   GLU  56          HG1       GLU  56  -9.804  -8.808  -1.305
  406    H    VAL  57           HN       VAL  57  -9.815  -6.855  -2.076
  407    HA   VAL  57           HA       VAL  57  -8.314  -4.451  -2.119
  408    HB   VAL  57           HB       VAL  57  -8.801  -4.660  -4.553
  409   1HG1  VAL  57          HG11      VAL  57 -11.592  -3.833  -4.270
  410   2HG1  VAL  57          HG12      VAL  57 -11.282  -5.495  -3.774
  411   3HG1  VAL  57          HG13      VAL  57 -10.853  -4.966  -5.401
  412   1HG2  VAL  57          HG21      VAL  57  -8.346  -2.485  -3.864
  413   2HG2  VAL  57          HG22      VAL  57  -9.847  -2.359  -2.946
  414   3HG2  VAL  57          HG23      VAL  57  -9.887  -2.330  -4.709
  415    H    THR  58           HN       THR  58  -9.010  -3.522  -0.325
  416    HA   THR  58           HA       THR  58 -11.827  -3.814   0.431
  417    HB   THR  58           HB       THR  58  -9.959  -2.462   2.279
  418    HG1  THR  58           HG1      THR  58  -9.715  -5.224   1.685
  419   1HG2  THR  58          HG21      THR  58 -12.259  -3.105   2.915
  420   2HG2  THR  58          HG22      THR  58 -11.014  -3.807   3.948
  421   3HG2  THR  58          HG23      THR  58 -11.800  -4.796   2.717
  422    H    CYS  59           HN       CYS  59 -13.079  -2.265  -0.354
  423    HA   CYS  59           HA       CYS  59 -12.040   0.415  -0.782
  424   1HB   CYS  59          HB2       CYS  59 -14.885  -0.401  -1.292
  425   2HB   CYS  59          HB1       CYS  59 -13.918   0.815  -2.119
  426    H    CYS  60           HN       CYS  60 -12.066   1.825   0.823
  427    HA   CYS  60           HA       CYS  60 -14.430   1.943   2.564
  428   1HB   CYS  60          HB2       CYS  60 -13.007   2.319   4.512
  429   2HB   CYS  60          HB1       CYS  60 -12.628   0.775   3.757
  430    H    SER  61           HN       SER  61 -14.900   4.046   3.434
  431    HA   SER  61           HA       SER  61 -13.515   6.222   2.005
  432   1HB   SER  61          HB2       SER  61 -15.561   7.305   1.556
  433   2HB   SER  61          HB1       SER  61 -15.853   5.606   1.184
  434    HG   SER  61           HG       SER  61 -17.037   5.397   3.004
  435    H    THR  62           HN       THR  62 -12.559   5.678   4.488
  436    HA   THR  62           HA       THR  62 -13.533   7.984   6.017
  437    HB   THR  62           HB       THR  62 -12.886   6.623   8.091
  438    HG1  THR  62           HG1      THR  62 -13.141   4.377   7.816
  439   1HG2  THR  62          HG21      THR  62 -15.351   6.157   6.479
  440   2HG2  THR  62          HG22      THR  62 -15.141   7.096   7.957
  441   3HG2  THR  62          HG23      THR  62 -15.104   5.334   8.019
  442    H    ASP  63           HN       ASP  63 -11.916   9.036   7.308
  443    HA   ASP  63           HA       ASP  63  -9.577   9.636   6.164
  444   1HB   ASP  63          HB2       ASP  63 -10.110   9.423   9.130
  445   2HB   ASP  63          HB1       ASP  63  -8.705  10.229   8.439
  446    H    LYS  64           HN       LYS  64  -7.819   8.645   5.606
  447    HA   LYS  64           HA       LYS  64  -6.470   6.785   5.206
  448   1HB   LYS  64          HB2       LYS  64  -5.018   6.477   7.348
  449   2HB   LYS  64          HB1       LYS  64  -4.949   7.977   6.438
  450   1HG   LYS  64          HG2       LYS  64  -5.803   9.177   8.122
  451   2HG   LYS  64          HG1       LYS  64  -6.968   7.927   8.557
  452   1HD   LYS  64          HD2       LYS  64  -5.409   6.753   9.830
  453   2HD   LYS  64          HD1       LYS  64  -4.048   7.621   9.115
  454   1HE   LYS  64          HE2       LYS  64  -5.497   9.659  10.191
  455   2HE   LYS  64          HE1       LYS  64  -5.801   8.365  11.348
  456   1HZ   LYS  64          HZ1       LYS  64  -3.868   9.628  11.993
  457   2HZ   LYS  64          HZ2       LYS  64  -3.135   9.356  10.494
  458   3HZ   LYS  64          HZ3       LYS  64  -3.394   8.064  11.554
  459    H    CYS  65           HN       CYS  65  -8.730   5.610   5.357
  460    HA   CYS  65           HA       CYS  65  -8.859   3.693   7.508
  461   1HB   CYS  65          HB2       CYS  65 -10.898   2.908   6.384
  462   2HB   CYS  65          HB1       CYS  65 -10.915   4.640   6.695
  463    H    ASN  66           HN       ASN  66  -6.768   3.771   5.124
  464    HA   ASN  66           HA       ASN  66  -7.058   0.927   4.419
  465   1HB   ASN  66          HB2       ASN  66  -5.478   1.482   2.524
  466   2HB   ASN  66          HB1       ASN  66  -7.075   2.214   2.411
  467   1HD2  ASN  66          HD21      ASN  66  -4.616   3.018   1.156
  468   2HD2  ASN  66          HD22      ASN  66  -4.305   4.634   1.676
  469    HA   PRO  67           HA       PRO  67  -3.179   1.401   6.993
  470   1HB   PRO  67          HB2       PRO  67  -3.879   0.150   9.223
  471   2HB   PRO  67          HB1       PRO  67  -4.441   1.803   8.917
  472   1HG   PRO  67          HG2       PRO  67  -5.897  -0.786   8.471
  473   2HG   PRO  67          HG1       PRO  67  -6.461   0.672   9.314
  474   1HD   PRO  67          HD2       PRO  67  -7.068   0.141   6.710
  475   2HD   PRO  67          HD1       PRO  67  -6.901   1.787   7.354
  476    H    HIS  68           HN       HIS  68  -1.776  -0.396   7.806
  477    HA   HIS  68           HA       HIS  68  -2.059  -2.674   6.048
  478   1HB   HIS  68          HB2       HIS  68   0.131  -1.313   7.267
  479   2HB   HIS  68          HB1       HIS  68   0.205  -3.012   7.730
  480    HD1  HIS  68           HD1      HIS  68   0.236  -0.795   4.689
  481    HD2  HIS  68           HD2      HIS  68   0.957  -4.757   5.714
  482    HE1  HIS  68           HE1      HIS  68   1.147  -1.873   2.614
  483    HE2  HIS  68           HE2      HIS  68   1.370  -4.310   3.209
  484    HA   PRO  69           HA       PRO  69  -3.458  -5.513   9.126
  485   1HB   PRO  69          HB2       PRO  69  -2.641  -7.812   7.715
  486   2HB   PRO  69          HB1       PRO  69  -4.183  -6.972   7.557
  487   1HG   PRO  69          HG2       PRO  69  -2.182  -7.163   5.597
  488   2HG   PRO  69          HG1       PRO  69  -3.581  -6.079   5.569
  489   1HD   PRO  69          HD2       PRO  69  -0.759  -5.517   6.341
  490   2HD   PRO  69          HD1       PRO  69  -1.952  -4.458   5.563
  491    H    LYS  70           HN       LYS  70  -0.503  -6.948   7.709
  492    HA   LYS  70           HA       LYS  70   0.288  -8.097  10.181
  493   1HB   LYS  70          HB2       LYS  70   1.247  -8.066   7.435
  494   2HB   LYS  70          HB1       LYS  70   2.566  -8.011   8.598
  495   1HG   LYS  70          HG2       LYS  70   0.371 -10.071   8.516
  496   2HG   LYS  70          HG1       LYS  70   2.031 -10.299   7.972
  497   1HD   LYS  70          HD2       LYS  70   1.101  -9.759  10.789
  498   2HD   LYS  70          HD1       LYS  70   1.787 -11.260  10.165
  499   1HE   LYS  70          HE2       LYS  70   3.898 -10.082   9.709
  500   2HE   LYS  70          HE1       LYS  70   3.207  -8.607  10.383
  501   1HZ   LYS  70          HZ1       LYS  70   3.400  -9.369  12.486
  502   2HZ   LYS  70          HZ2       LYS  70   4.646 -10.292  11.812
  503   3HZ   LYS  70          HZ3       LYS  70   3.124 -10.985  12.066
  504    H    GLN  71           HN       GLN  71   0.946  -5.096   8.551
  505    HA   GLN  71           HA       GLN  71   2.888  -4.351  10.621
  506   1HB   GLN  71          HB2       GLN  71   2.474  -3.573   7.801
  507   2HB   GLN  71          HB1       GLN  71   2.977  -2.284   8.888
  508   1HG   GLN  71          HG2       GLN  71   4.845  -3.755   9.629
  509   2HG   GLN  71          HG1       GLN  71   4.389  -4.871   8.342
  510   1HE2  GLN  71          HE21      GLN  71   5.952  -1.922   9.142
  511   2HE2  GLN  71          HE22      GLN  71   6.526  -1.536   7.558
  512    H    ARG  72           HN       ARG  72   1.971  -3.424  12.318
  513    HA   ARG  72           HA       ARG  72   0.772  -0.939  12.261
  514   1HB   ARG  72          HB2       ARG  72  -1.328  -1.364  11.603
  515   2HB   ARG  72          HB1       ARG  72  -1.077  -3.100  11.696
  516   1HG   ARG  72          HG2       ARG  72  -1.760  -3.189  13.934
  517   2HG   ARG  72          HG1       ARG  72  -1.619  -1.443  14.134
  518   1HD   ARG  72          HD2       ARG  72  -3.958  -2.131  13.964
  519   2HD   ARG  72          HD1       ARG  72  -3.489  -1.100  12.614
  520    HE   ARG  72           HE       ARG  72  -3.218  -3.879  12.009
  521   1HH1  ARG  72          HH11      ARG  72  -5.500  -1.246  12.202
  522   2HH1  ARG  72          HH12      ARG  72  -6.597  -1.947  11.060
  523   1HH2  ARG  72          HH21      ARG  72  -4.662  -4.804  10.507
  524   2HH2  ARG  72          HH22      ARG  72  -6.121  -3.966  10.097
  525    HA   PRO  73           HA       PRO  73   0.500  -2.740  16.641
  526   1HB   PRO  73          HB2       PRO  73   0.428  -5.373  17.081
  527   2HB   PRO  73          HB1       PRO  73  -0.999  -4.500  16.513
  528   1HG   PRO  73          HG2       PRO  73   0.847  -6.287  15.019
  529   2HG   PRO  73          HG1       PRO  73  -0.891  -6.029  14.802
  530   1HD   PRO  73          HD2       PRO  73   1.193  -4.866  13.296
  531   2HD   PRO  73          HD1       PRO  73  -0.520  -4.416  13.254
  532    H    GLY  74           HN       GLY  74   2.895  -2.163  15.425
  533   1HA   GLY  74          HA2       GLY  74   4.915  -4.111  15.926
  534   2HA   GLY  74          HA1       GLY  74   5.178  -2.406  15.592
  535   1H    GLU 180          HT1       GLU 180  18.591  14.779  -0.342
  536   2H    GLU 180          HT2       GLU 180  19.896  15.134   0.716
  537   3H    GLU 180          HT3       GLU 180  19.871  13.655  -0.154
  538    HA   GLU 180           HA       GLU 180  20.323  16.377  -1.135
  539   1HB   GLU 180          HB2       GLU 180  22.234  15.085  -0.314
  540   2HB   GLU 180          HB1       GLU 180  21.801  13.746  -1.369
  541   1HG   GLU 180          HG2       GLU 180  22.605  14.765  -3.230
  542   2HG   GLU 180          HG1       GLU 180  22.254  16.386  -2.631
  543    H    GLU 181           HN       GLU 181  19.389  13.090  -2.053
  544    HA   GLU 181           HA       GLU 181  18.943  13.968  -4.808
  545   1HB   GLU 181          HB2       GLU 181  19.235  11.314  -3.469
  546   2HB   GLU 181          HB1       GLU 181  18.328  11.401  -4.972
  547   1HG   GLU 181          HG2       GLU 181  20.884  12.797  -5.079
  548   2HG   GLU 181          HG1       GLU 181  21.032  11.071  -4.749
  549    H    ARG 182           HN       ARG 182  17.121  11.624  -2.864
  550    HA   ARG 182           HA       ARG 182  14.897  11.361  -2.481
  551   1HB   ARG 182          HB2       ARG 182  15.227  14.320  -2.517
  552   2HB   ARG 182          HB1       ARG 182  13.590  13.680  -2.573
  553   1HG   ARG 182          HG2       ARG 182  14.196  14.148  -0.296
  554   2HG   ARG 182          HG1       ARG 182  14.047  12.403  -0.517
  555   1HD   ARG 182          HD2       ARG 182  16.143  12.092   0.148
  556   2HD   ARG 182          HD1       ARG 182  16.738  13.221  -1.068
  557    HE   ARG 182           HE       ARG 182  15.813  14.850   0.879
  558   1HH1  ARG 182          HH11      ARG 182  17.997  12.128   0.893
  559   2HH1  ARG 182          HH12      ARG 182  18.920  12.717   2.234
  560   1HH2  ARG 182          HH21      ARG 182  17.026  15.626   2.642
  561   2HH2  ARG 182          HH22      ARG 182  18.369  14.702   3.228
  562    H    GLY 183           HN       GLY 183  13.639  10.371  -3.903
  563   1HA   GLY 183          HA2       GLY 183  13.397  11.502  -6.601
  564   2HA   GLY 183          HA1       GLY 183  13.064   9.837  -6.154
  565    H    TRP 184           HN       TRP 184  11.002   9.288  -6.073
  566    HA   TRP 184           HA       TRP 184   9.025  11.390  -5.522
  567   1HB   TRP 184          HB2       TRP 184   7.502   9.961  -7.058
  568   2HB   TRP 184          HB1       TRP 184   8.696  11.024  -7.775
  569    HD1  TRP 184           HD1      TRP 184   8.866   9.665  -9.989
  570    HE1  TRP 184           HE1      TRP 184   9.949   7.424 -10.617
  571    HE3  TRP 184           HE3      TRP 184   9.648   7.742  -5.276
  572    HZ2  TRP 184           HZ2      TRP 184  10.989   5.161  -9.325
  573    HZ3  TRP 184           HZ3      TRP 184  10.692   5.535  -5.093
  574    HH2  TRP 184           HH2      TRP 184  11.350   4.270  -7.068
  575    H    LYS 185           HN       LYS 185   7.455   8.480  -6.071
  576    HA   LYS 185           HA       LYS 185   7.647   7.606  -3.295
  577   1HB   LYS 185          HB2       LYS 185   5.469   9.115  -4.400
  578   2HB   LYS 185          HB1       LYS 185   4.900   7.519  -3.972
  579   1HG   LYS 185          HG2       LYS 185   5.852   7.867  -1.701
  580   2HG   LYS 185          HG1       LYS 185   6.197   9.532  -2.165
  581   1HD   LYS 185          HD2       LYS 185   3.463   8.567  -2.671
  582   2HD   LYS 185          HD1       LYS 185   3.923   8.732  -0.976
  583   1HE   LYS 185          HE2       LYS 185   4.836  11.064  -1.824
  584   2HE   LYS 185          HE1       LYS 185   3.628  10.814  -3.083
  585   1HZ   LYS 185          HZ1       LYS 185   2.160  10.263  -0.975
  586   2HZ   LYS 185          HZ2       LYS 185   2.348  11.844  -1.546
  587   3HZ   LYS 185          HZ3       LYS 185   3.264  11.306  -0.230
  588    H    HIS 186           HN       HIS 186   8.275   5.524  -3.545
  589    HA   HIS 186           HA       HIS 186   6.577   3.755  -5.147
  590   1HB   HIS 186          HB2       HIS 186   8.641   4.432  -6.470
  591   2HB   HIS 186          HB1       HIS 186   9.585   3.541  -5.281
  592    HD1  HIS 186           HD1      HIS 186   8.059   0.977  -4.969
  593    HD2  HIS 186           HD2      HIS 186   8.554   2.846  -8.647
  594    HE1  HIS 186           HE1      HIS 186   7.745  -0.829  -6.688
  595    HE2  HIS 186           HE2      HIS 186   7.966   0.341  -8.908
  596    H    TRP 187           HN       TRP 187   5.960   2.044  -3.954
  597    HA   TRP 187           HA       TRP 187   7.768   0.978  -1.876
  598   1HB   TRP 187          HB2       TRP 187   5.268   2.366  -1.449
  599   2HB   TRP 187          HB1       TRP 187   5.205   0.750  -0.790
  600    HD1  TRP 187           HD1      TRP 187   6.386   4.179  -0.052
  601    HE1  TRP 187           HE1      TRP 187   7.674   4.241   2.150
  602    HE3  TRP 187           HE3      TRP 187   6.942  -0.842   0.734
  603    HZ2  TRP 187           HZ2      TRP 187   8.759   2.437   3.994
  604    HZ3  TRP 187           HZ3      TRP 187   8.120  -1.573   2.737
  605    HH2  TRP 187           HH2      TRP 187   9.000   0.033   4.354
  606    H    VAL 188           HN       VAL 188   6.891  -1.011  -0.960
  607    HA   VAL 188           HA       VAL 188   4.988  -2.565  -2.403
  608    HB   VAL 188           HB       VAL 188   7.700  -3.835  -2.257
  609   1HG1  VAL 188          HG11      VAL 188   6.825  -5.323  -3.893
  610   2HG1  VAL 188          HG12      VAL 188   5.436  -4.276  -4.191
  611   3HG1  VAL 188          HG13      VAL 188   5.585  -5.130  -2.653
  612   1HG2  VAL 188          HG21      VAL 188   8.044  -1.775  -3.540
  613   2HG2  VAL 188          HG22      VAL 188   6.709  -2.221  -4.603
  614   3HG2  VAL 188          HG23      VAL 188   8.171  -3.207  -4.562
  615    H    TYR 189           HN       TYR 189   3.904  -2.786  -0.484
  616    HA   TYR 189           HA       TYR 189   5.396  -3.843   1.813
  617   1HB   TYR 189          HB2       TYR 189   2.878  -2.306   1.464
  618   2HB   TYR 189          HB1       TYR 189   2.945  -3.454   2.796
  619    HD1  TYR 189           HD1      TYR 189   3.141  -0.174   2.258
  620    HD2  TYR 189           HD2      TYR 189   5.580  -3.250   3.879
  621    HE1  TYR 189           HE1      TYR 189   4.293   1.490   3.620
  622    HE2  TYR 189           HE2      TYR 189   6.762  -1.588   5.253
  623    HH   TYR 189           HH       TYR 189   6.369   1.798   4.788
  624    H    TYR 190           HN       TYR 190   5.420  -5.964   2.126
  625    HA   TYR 190           HA       TYR 190   3.419  -7.594   0.768
  626   1HB   TYR 190          HB2       TYR 190   5.946  -8.462   2.180
  627   2HB   TYR 190          HB1       TYR 190   4.902  -9.489   1.216
  628    HD1  TYR 190           HD1      TYR 190   5.879  -6.069   0.155
  629    HD2  TYR 190           HD2      TYR 190   6.613 -10.235  -0.248
  630    HE1  TYR 190           HE1      TYR 190   7.302  -5.636  -1.787
  631    HE2  TYR 190           HE2      TYR 190   8.040  -9.810  -2.197
  632    HH   TYR 190           HH       TYR 190   8.353  -8.085  -3.899
  633    H    THR 191           HN       THR 191   1.779  -8.611   1.854
  634    HA   THR 191           HA       THR 191   1.569  -8.319   4.697
  635    HB   THR 191           HB       THR 191  -0.457  -9.376   4.616
  636    HG1  THR 191           HG1      THR 191  -0.618 -11.254   3.742
  637   1HG2  THR 191          HG21      THR 191  -1.669  -8.852   2.552
  638   2HG2  THR 191          HG22      THR 191  -0.133  -8.461   1.779
  639   3HG2  THR 191          HG23      THR 191  -0.706  -7.500   3.146
  640    H    CYS 192           HN       CYS 192   2.346  -9.565   6.213
  641    HA   CYS 192           HA       CYS 192   2.509 -12.170   6.667
  642   1HB   CYS 192          HB2       CYS 192   3.536 -13.189   4.885
  643   2HB   CYS 192          HB1       CYS 192   4.197 -11.673   4.285
  644    H    CYS 193           HN       CYS 193   4.799  -9.669   5.971
  645    HA   CYS 193           HA       CYS 193   5.941  -9.957   8.654
  646   1HB   CYS 193          HB2       CYS 193   8.119  -9.697   6.931
  647   2HB   CYS 193          HB1       CYS 193   7.596 -11.175   7.737
  648    HA   PRO 194           HA       PRO 194   6.142  -5.536   8.163
  649   1HB   PRO 194          HB2       PRO 194   6.378  -4.929  10.710
  650   2HB   PRO 194          HB1       PRO 194   4.924  -5.768  10.148
  651   1HG   PRO 194          HG2       PRO 194   7.328  -6.893  11.532
  652   2HG   PRO 194          HG1       PRO 194   5.611  -7.211  11.841
  653   1HD   PRO 194          HD2       PRO 194   7.277  -8.793  10.272
  654   2HD   PRO 194          HD1       PRO 194   5.504  -8.793  10.204
  655    H    ASP 195           HN       ASP 195   8.637  -7.540   9.580
  656    HA   ASP 195           HA       ASP 195  10.559  -5.385   9.729
  657   1HB   ASP 195          HB2       ASP 195  10.876  -8.362  10.165
  658   2HB   ASP 195          HB1       ASP 195  12.125  -7.157  10.468
  659    H    THR 196           HN       THR 196   9.332  -7.122   7.224
  660    HA   THR 196           HA       THR 196  11.858  -6.958   5.717
  661    HB   THR 196           HB       THR 196  11.295  -8.869   4.465
  662    HG1  THR 196           HG1      THR 196   9.283  -9.693   4.318
  663   1HG2  THR 196          HG21      THR 196  10.171  -9.610   7.143
  664   2HG2  THR 196          HG22      THR 196  11.896  -9.385   6.849
  665   3HG2  THR 196          HG23      THR 196  11.009 -10.640   5.983
  666    HA   PRO 197           HA       PRO 197   8.401  -4.342   3.805
  667   1HB   PRO 197          HB2       PRO 197   9.404  -1.882   4.291
  668   2HB   PRO 197          HB1       PRO 197   8.361  -2.721   5.446
  669   1HG   PRO 197          HG2       PRO 197  11.345  -2.466   5.426
  670   2HG   PRO 197          HG1       PRO 197  10.218  -2.315   6.788
  671   1HD   PRO 197          HD2       PRO 197  11.648  -4.573   6.298
  672   2HD   PRO 197          HD1       PRO 197  10.045  -4.592   7.059
  673    H    TYR 198           HN       TYR 198   8.553  -3.631   1.705
  674    HA   TYR 198           HA       TYR 198  11.275  -3.506   0.590
  675   1HB   TYR 198          HB2       TYR 198   8.717  -4.015  -0.930
  676   2HB   TYR 198          HB1       TYR 198  10.357  -4.249  -1.505
  677    HD1  TYR 198           HD1      TYR 198   8.386  -5.404   1.469
  678    HD2  TYR 198           HD2      TYR 198  10.889  -6.427  -1.807
  679    HE1  TYR 198           HE1      TYR 198   8.291  -7.750   2.139
  680    HE2  TYR 198           HE2      TYR 198  10.788  -8.765  -1.154
  681    HH   TYR 198           HH       TYR 198  10.095  -9.886   1.631
  682    H    LEU 199           HN       LEU 199  11.828  -1.427   0.708
  683    HA   LEU 199           HA       LEU 199   9.909   0.660  -0.003
  684   1HB   LEU 199          HB2       LEU 199  11.337   0.616   2.110
  685   2HB   LEU 199          HB1       LEU 199  12.692   1.018   1.077
  686    HG   LEU 199           HG       LEU 199  10.218   2.703   1.431
  687   1HD1  LEU 199          HD11      LEU 199  11.358   2.791   3.479
  688   2HD1  LEU 199          HD12      LEU 199  11.932   4.207   2.599
  689   3HD1  LEU 199          HD13      LEU 199  12.940   2.764   2.702
  690   1HD2  LEU 199          HD21      LEU 199  12.532   2.836  -0.376
  691   2HD2  LEU 199          HD22      LEU 199  12.176   4.335   0.481
  692   3HD2  LEU 199          HD23      LEU 199  10.937   3.576  -0.517
  693    H    ASP 200           HN       ASP 200  10.221   2.158  -1.593
  694    HA   ASP 200           HA       ASP 200  12.597   1.959  -3.287
  695   1HB   ASP 200          HB2       ASP 200   9.744   1.656  -4.210
  696   2HB   ASP 200          HB1       ASP 200  11.028   2.157  -5.305
  697    H    ILE 201           HN       ILE 201  13.446   3.931  -3.262
  698    HA   ILE 201           HA       ILE 201  11.632   6.236  -3.523
  699    HB   ILE 201           HB       ILE 201  13.433   7.529  -2.227
  700   1HG1  ILE 201          HG12      ILE 201  14.179   5.490  -0.451
  701   2HG1  ILE 201          HG11      ILE 201  14.488   4.833  -2.052
  702   1HG2  ILE 201          HG21      ILE 201  11.316   5.740  -1.223
  703   2HG2  ILE 201          HG22      ILE 201  11.516   7.484  -1.043
  704   3HG2  ILE 201          HG23      ILE 201  12.433   6.380  -0.017
  705   1HD1  ILE 201          HD11      ILE 201  15.513   7.380  -2.206
  706   2HD1  ILE 201          HD12      ILE 201  16.430   5.896  -1.949
  707   3HD1  ILE 201          HD13      ILE 201  15.916   6.865  -0.568
  708    H    THR 202           HN       THR 202  15.089   5.355  -3.816
  709    HA   THR 202           HA       THR 202  15.187   6.306  -6.513
  710    HB   THR 202           HB       THR 202  16.747   7.857  -4.442
  711    HG1  THR 202           HG1      THR 202  14.332   8.405  -5.777
  712   1HG2  THR 202          HG21      THR 202  16.745   7.838  -7.386
  713   2HG2  THR 202          HG22      THR 202  18.022   8.267  -6.248
  714   3HG2  THR 202          HG23      THR 202  16.739   9.421  -6.609
  715    H    GLU 203           HN       GLU 203  16.963   5.562  -7.609
  716    HA   GLU 203           HA       GLU 203  19.354   4.688  -6.367
  717   1HB   GLU 203          HB2       GLU 203  17.163   2.784  -6.502
  718   2HB   GLU 203          HB1       GLU 203  18.573   2.210  -7.381
  719   1HG   GLU 203          HG2       GLU 203  18.429   3.012  -4.488
  720   2HG   GLU 203          HG1       GLU 203  18.689   1.397  -5.144
  721    H    GLU 204           HN       GLU 204  20.130   6.000  -8.079
  722    HA   GLU 204           HA       GLU 204  19.577   5.436 -10.810
  723   1HB   GLU 204          HB2       GLU 204  21.383   6.992 -11.305
  724   2HB   GLU 204          HB1       GLU 204  20.350   7.642 -10.039
  725   1HG   GLU 204          HG2       GLU 204  21.957   7.430  -8.424
  726   2HG   GLU 204          HG1       GLU 204  22.778   6.113  -9.259