NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
525491 | 2l7n | 17363 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 7} (( segid " " and resid 1207 and name HD2 )) (( segid " " and resid 1207 and name HA )) 3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 3.147 ppm2 4.099 CV 1 OR { 7} (( segid " " and resid 1184 and name HD3 )) (( segid " " and resid 1181 and name HA )) OR { 7} (( segid " " and resid 1207 and name HD3 )) (( segid " " and resid 1207 and name HA )) OR { 7} (( segid " " and resid 1184 and name HD2 )) (( segid " " and resid 1181 and name HA )) ASSI { 13} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HG2 )) 3.100 1.200 1.200 peak 13 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 1.781 ppm2 1.527 CV 1 OR { 13} (( segid " " and resid 1161 and name HB3 )) (( segid " " and resid 1161 and name HD3 )) OR { 13} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HG3 )) OR { 13} (( segid " " and resid 1161 and name HB2 )) (( segid " " and resid 1161 and name HD3 )) OR { 13} (( segid " " and resid 1161 and name HB3 )) ( segid " " and resid 1191 and name HB% ) ASSI { 15} (( segid " " and resid 1129 and name HD3 )) (( segid " " and resid 1129 and name HG2 )) 2.000 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.17614E-01 ppm1 3.160 ppm2 1.765 CV 1 OR { 15} (( segid " " and resid 1198 and name HD3 )) (( segid " " and resid 1198 and name HG2 )) OR { 15} (( segid " " and resid 1072 and name HD2 )) (( segid " " and resid 1072 and name HG3 )) OR { 15} (( segid " " and resid 1198 and name HD2 )) (( segid " " and resid 1198 and name HG2 )) OR { 15} (( segid " " and resid 1072 and name HD3 )) (( segid " " and resid 1072 and name HG3 )) ASSI { 16} (( segid " " and resid 1072 and name HD2 )) (( segid " " and resid 1072 and name HG2 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.11309E-01 ppm1 3.147 ppm2 1.553 CV 1 OR { 16} (( segid " " and resid 1198 and name HD2 )) (( segid " " and resid 1198 and name HG3 )) OR { 16} (( segid " " and resid 1072 and name HD3 )) (( segid " " and resid 1072 and name HG2 )) OR { 16} (( segid " " and resid 1198 and name HD3 )) (( segid " " and resid 1198 and name HG3 )) ASSI { 38} (( segid " " and resid 1206 and name HB3 )) (( segid " " and resid 1206 and name HG3 )) 2.600 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.46565E-02 ppm1 1.925 ppm2 2.241 CV 1 OR { 38} (( segid " " and resid 1049 and name HB2 )) (( segid " " and resid 1049 and name HG2 )) ASSI { 40} (( segid " " and resid 1133 and name HG3 )) (( segid " " and resid 1133 and name HB2 )) 2.200 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.89240E-02 ppm1 2.313 ppm2 2.063 CV 1 OR { 40} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name HB2 )) ASSI { 46} (( segid " " and resid 1205 and name HA2 )) (( segid " " and resid 1204 and name HA )) 3.800 1.800 1.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 3.900 ppm2 4.379 CV 1 OR { 46} (( segid " " and resid 1177 and name HA3 )) (( segid " " and resid 1176 and name HA )) ASSI { 48} (( segid " " and resid 1177 and name HA3 )) (( segid " " and resid 1176 and name HB2 )) 3.500 1.600 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.67113E-03 ppm1 3.902 ppm2 1.912 CV 1 OR { 48} (( segid " " and resid 1205 and name HA2 )) (( segid " " and resid 1204 and name HB2 )) OR { 48} (( segid " " and resid 1205 and name HA2 )) (( segid " " and resid 1206 and name HB3 )) ASSI { 49} (( segid " " and resid 1205 and name HA3 )) (( segid " " and resid 1204 and name HB2 )) 4.200 2.200 1.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.59196E-03 ppm1 3.852 ppm2 1.913 CV 1 OR { 49} (( segid " " and resid 1205 and name HA3 )) (( segid " " and resid 1206 and name HB3 )) ASSI { 52} (( segid " " and resid 1112 and name HA3 )) (( segid " " and resid 1112 and name H )) 2.700 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.44913E-02 ppm1 3.898 ppm2 8.426 CV 1 OR { 52} (( segid " " and resid 1205 and name HA2 )) (( segid " " and resid 1205 and name H )) ASSI { 53} (( segid " " and resid 1205 and name HA3 )) (( segid " " and resid 1205 and name H )) 2.600 0.800 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.43984E-02 ppm1 3.852 ppm2 8.426 CV 1 OR { 53} (( segid " " and resid 1112 and name HA2 )) (( segid " " and resid 1112 and name H )) ASSI { 69} (( segid " " and resid 1047 and name HB3 )) (( segid " " and resid 1047 and name HD3 )) 3.000 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.27154E-02 ppm1 1.898 ppm2 3.464 CV 1 OR { 69} (( segid " " and resid 1204 and name HB2 )) (( segid " " and resid 1204 and name HD2 )) ASSI { 72} (( segid " " and resid 1204 and name HG3 )) (( segid " " and resid 1204 and name HD2 )) 2.300 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.77640E-02 ppm1 1.948 ppm2 3.459 CV 1 OR { 72} (( segid " " and resid 1047 and name HG3 )) (( segid " " and resid 1047 and name HD3 )) ASSI { 76} (( segid " " and resid 1047 and name HD3 )) (( segid " " and resid 1047 and name HG2 )) 2.400 0.700 0.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.51487E-02 ppm1 3.464 ppm2 2.010 CV 1 OR { 76} (( segid " " and resid 1204 and name HD2 )) (( segid " " and resid 1204 and name HG2 )) ASSI { 80} (( segid " " and resid 1047 and name HG2 )) (( segid " " and resid 1047 and name HB2 )) 2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.45188E-02 ppm1 2.008 ppm2 2.226 CV 1 OR { 80} (( segid " " and resid 1204 and name HG2 )) (( segid " " and resid 1204 and name HB3 )) ASSI { 81} (( segid " " and resid 1047 and name HG3 )) (( segid " " and resid 1047 and name HB2 )) 2.100 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.14235E-01 ppm1 1.949 ppm2 2.225 CV 1 OR { 81} (( segid " " and resid 1204 and name HG3 )) (( segid " " and resid 1204 and name HB3 )) OR { 81} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1176 and name HB3 )) OR { 81} (( segid " " and resid 1176 and name HG3 )) (( segid " " and resid 1176 and name HB3 )) ASSI { 82} (( segid " " and resid 1047 and name HB3 )) (( segid " " and resid 1047 and name HB2 )) 1.500 0.300 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.34234E-01 ppm1 1.895 ppm2 2.227 CV 1 OR { 82} (( segid " " and resid 1204 and name HB2 )) (( segid " " and resid 1204 and name HB3 )) ASSI { 90} (( segid " " and resid 1204 and name HD2 )) ( segid " " and resid 1138 and name HG1%) 2.900 1.000 1.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.18309E-02 ppm1 3.481 ppm2 0.781 CV 1 OR { 90} (( segid " " and resid 1078 and name HD2 )) ( segid " " and resid 1079 and name HD1%) ASSI { 96} (( segid " " and resid 1204 and name HG2 )) ( segid " " and resid 1138 and name HG1%) 3.600 1.600 1.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.92577E-03 ppm1 2.009 ppm2 0.759 CV 1 OR { 96} (( segid " " and resid 1078 and name HG3 )) ( segid " " and resid 1079 and name HD1%) ASSI { 171} (( segid " " and resid 1204 and name HB3 )) (( segid " " and resid 1204 and name HD2 )) 3.400 1.400 1.400 peak 171 spectrum 1 weight 0.10000E+01 volume 0.26191E-02 ppm1 2.225 ppm2 3.468 CV 1 OR { 171} (( segid " " and resid 1047 and name HB2 )) (( segid " " and resid 1047 and name HD3 )) ASSI { 216} (( segid " " and resid 1200 and name HA )) (( segid " " and resid 1203 and name HB2 )) 3.800 1.800 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.78811E-03 ppm1 3.797 ppm2 1.734 CV 1 OR { 216} (( segid " " and resid 1200 and name HA )) (( segid " " and resid 1091 and name HB3 )) ASSI { 219} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1203 and name HB2 )) 3.700 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.11082E-02 ppm1 0.923 ppm2 1.731 CV 1 OR { 219} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1091 and name HB3 )) ASSI { 236} (( segid " " and resid 1200 and name HB )) ( segid " " and resid 1200 and name HG2%) 2.200 0.600 0.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.76059E-02 ppm1 2.116 ppm2 0.926 CV 1 OR { 236} (( segid " " and resid 1050 and name HB3 )) ( segid " " and resid 1166 and name HG2%) ASSI { 239} (( segid " " and resid 1078 and name HA )) ( segid " " and resid 1141 and name HD2%) 3.200 1.200 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.15212E-02 ppm1 4.208 ppm2 0.812 CV 1 OR { 239} (( segid " " and resid 1199 and name HA )) ( segid " " and resid 1091 and name HD2%) ASSI { 253} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1199 and name HA )) 2.500 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.27464E-02 ppm1 2.799 ppm2 4.188 CV 1 OR { 253} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1154 and name HB )) ASSI { 256} (( segid " " and resid 1199 and name HB3 )) (( segid " " and resid 1154 and name HB )) 3.000 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.39063E-02 ppm1 3.014 ppm2 4.189 CV 1 OR { 256} (( segid " " and resid 1199 and name HB3 )) (( segid " " and resid 1199 and name HA )) ASSI { 263} (( segid " " and resid 1078 and name HA )) (( segid " " and resid 1141 and name H )) 3.800 1.800 1.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.10566E-02 ppm1 4.207 ppm2 7.375 CV 1 OR { 263} (( segid " " and resid 1142 and name HA )) (( segid " " and resid 1141 and name H )) ASSI { 264} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1201 and name H )) 4.400 2.400 1.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.58164E-03 ppm1 2.794 ppm2 7.853 CV 1 OR { 264} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1198 and name H )) ASSI { 284} (( segid " " and resid 1196 and name HA )) ( segid " " and resid 1196 and name HD2%) 2.300 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.64531E-02 ppm1 3.812 ppm2 0.772 CV 1 OR { 284} (( segid " " and resid 1196 and name HA )) ( segid " " and resid 1158 and name HG1%) ASSI { 285} (( segid " " and resid 1159 and name HA )) ( segid " " and resid 1162 and name HB% ) 2.300 0.700 0.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.50145E-02 ppm1 3.809 ppm2 1.345 CV 1 OR { 285} (( segid " " and resid 1159 and name HA )) (( segid " " and resid 1159 and name HB3 )) ASSI { 303} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1155 and name HA )) 2.200 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.11605E-01 ppm1 0.756 ppm2 3.961 CV 1 OR { 303} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1131 and name HA )) ASSI { 312} ( segid " " and resid 1131 and name HD1%) ( segid " " and resid 1155 and name HB% ) 2.200 0.600 0.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.14640E-01 ppm1 0.758 ppm2 1.275 CV 1 OR { 312} ( segid " " and resid 1196 and name HD2%) ( segid " " and resid 1095 and name HG2%) ASSI { 321} ( segid " " and resid 1195 and name HB% ) (( segid " " and resid 1192 and name HA )) 2.300 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.70895E-02 ppm1 1.432 ppm2 3.506 CV 1 OR { 321} ( segid " " and resid 1169 and name HB% ) (( segid " " and resid 1166 and name HA )) ASSI { 328} (( segid " " and resid 1193 and name HA )) (( segid " " and resid 1196 and name HB3 )) 3.900 1.900 1.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.14420E-02 ppm1 3.776 ppm2 1.302 CV 1 OR { 328} (( segid " " and resid 1193 and name HA )) ( segid " " and resid 1095 and name HG2%) ASSI { 349} ( segid " " and resid 1192 and name HG1%) (( segid " " and resid 1192 and name HA )) 2.200 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.88209E-02 ppm1 0.840 ppm2 3.520 CV 1 OR { 349} ( segid " " and resid 1098 and name HG2%) (( segid " " and resid 1098 and name HA )) ASSI { 354} ( segid " " and resid 1057 and name HG1%) (( segid " " and resid 1058 and name HA )) 2.600 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.47908E-02 ppm1 0.950 ppm2 4.168 CV 1 OR { 354} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1154 and name HB )) ASSI { 355} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1162 and name HA )) 1.800 0.400 0.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.24584E-01 ppm1 0.950 ppm2 3.922 CV 1 OR { 355} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1189 and name HA )) OR { 355} ( segid " " and resid 1057 and name HG2%) (( segid " " and resid 1054 and name HA )) ASSI { 377} ( segid " " and resid 1057 and name HG2%) (( segid " " and resid 1128 and name HB2 )) 2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.68559E-02 ppm1 0.952 ppm2 1.947 CV 1 OR { 377} ( segid " " and resid 1057 and name HG1%) (( segid " " and resid 1128 and name HB2 )) OR { 377} ( segid " " and resid 1057 and name HG2%) (( segid " " and resid 1128 and name HG )) OR { 377} ( segid " " and resid 1057 and name HG1%) (( segid " " and resid 1058 and name HB2 )) ASSI { 385} ( segid " " and resid 1158 and name HG2%) ( segid " " and resid 1196 and name HD2%) 1.900 0.400 0.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.26098E-01 ppm1 0.952 ppm2 0.763 CV 1 OR { 385} ( segid " " and resid 1158 and name HG2%) ( segid " " and resid 1131 and name HD1%) ASSI { 386} ( segid " " and resid 1057 and name HG2%) ( segid " " and resid 1166 and name HD1%) 1.900 0.400 0.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.25616E-01 ppm1 0.953 ppm2 0.679 CV 1 OR { 386} ( segid " " and resid 1057 and name HG2%) ( segid " " and resid 1128 and name HD1%) OR { 386} ( segid " " and resid 1057 and name HG1%) ( segid " " and resid 1128 and name HD1%) ASSI { 391} ( segid " " and resid 1097 and name HB% ) (( segid " " and resid 1098 and name H )) 2.300 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.69349E-02 ppm1 1.501 ppm2 8.654 CV 1 OR { 391} ( segid " " and resid 1125 and name HB% ) (( segid " " and resid 1126 and name H )) ASSI { 395} ( segid " " and resid 1189 and name HB% ) (( segid " " and resid 1188 and name H )) 3.800 1.800 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.13526E-02 ppm1 1.402 ppm2 8.107 CV 1 OR { 395} ( segid " " and resid 1189 and name HB% ) (( segid " " and resid 1192 and name H )) ASSI { 401} (( segid " " and resid 1189 and name HA )) ( segid " " and resid 1192 and name HG2%) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 3.914 ppm2 0.935 CV 1 OR { 401} (( segid " " and resid 1189 and name HA )) ( segid " " and resid 1188 and name HG2%) ASSI { 408} (( segid " " and resid 1188 and name HB )) ( segid " " and resid 1189 and name HB% ) 4.000 2.000 2.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 2.068 ppm2 1.414 CV 1 OR { 408} (( segid " " and resid 1188 and name HB )) (( segid " " and resid 1165 and name HG )) ASSI { 412} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1185 and name HB2 )) 2.700 2.700 3.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.24470E-02 ppm1 1.054 ppm2 1.736 CV 1 OR { 412} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1161 and name HB2 )) OR { 412} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1161 and name HB3 )) ASSI { 415} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1188 and name HB )) 2.000 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.17535E-01 ppm1 0.940 ppm2 2.084 CV 1 OR { 415} ( segid " " and resid 1147 and name HG1%) (( segid " " and resid 1147 and name HB )) ASSI { 417} ( segid " " and resid 1188 and name HG2%) ( segid " " and resid 1191 and name HB% ) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 0.932 ppm2 1.506 CV 1 OR { 417} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1161 and name HG3 )) ASSI { 418} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1165 and name HG )) 2.600 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.59952E-02 ppm1 0.935 ppm2 1.410 CV 1 OR { 418} ( segid " " and resid 1147 and name HG1%) ( segid " " and resid 1146 and name HB% ) ASSI { 422} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1189 and name HA )) 2.200 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.20161E-01 ppm1 1.054 ppm2 3.904 CV 1 OR { 422} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1188 and name HA )) ASSI { 423} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1188 and name HA )) 1.900 0.500 0.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.23114E-01 ppm1 0.931 ppm2 3.917 CV 1 OR { 423} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1165 and name HA )) ASSI { 438} (( segid " " and resid 1169 and name HA )) (( segid " " and resid 1172 and name H )) 3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.13353E-02 ppm1 3.891 ppm2 8.524 CV 1 OR { 438} (( segid " " and resid 1186 and name HA )) (( segid " " and resid 1189 and name H )) ASSI { 439} ( segid " " and resid 1186 and name HB% ) (( segid " " and resid 1187 and name H )) 2.100 0.600 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.15625E-01 ppm1 1.431 ppm2 7.927 CV 1 OR { 439} ( segid " " and resid 1069 and name HB% ) (( segid " " and resid 1070 and name H )) OR { 439} ( segid " " and resid 1121 and name HB% ) (( segid " " and resid 1122 and name H )) ASSI { 441} ( segid " " and resid 1069 and name HB% ) (( segid " " and resid 1068 and name H )) 3.400 1.400 1.400 peak 441 spectrum 1 weight 0.10000E+01 volume 0.26948E-02 ppm1 1.433 ppm2 8.500 CV 1 OR { 441} ( segid " " and resid 1169 and name HB% ) (( segid " " and resid 1172 and name H )) ASSI { 442} ( segid " " and resid 1186 and name HB% ) (( segid " " and resid 1186 and name HA )) 1.800 0.400 0.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.43870E-01 ppm1 1.432 ppm2 3.921 CV 1 OR { 442} ( segid " " and resid 1069 and name HB% ) (( segid " " and resid 1069 and name HA )) ASSI { 455} (( segid " " and resid 1185 and name HA )) (( segid " " and resid 1186 and name H )) 3.200 1.300 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.13044E-02 ppm1 3.883 ppm2 7.820 CV 1 OR { 455} (( segid " " and resid 1054 and name HA )) (( segid " " and resid 1055 and name H )) ASSI { 464} (( segid " " and resid 1122 and name HG3 )) (( segid " " and resid 1122 and name HA )) 2.700 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.35621E-02 ppm1 1.490 ppm2 3.894 CV 1 OR { 464} (( segid " " and resid 1185 and name HG )) (( segid " " and resid 1185 and name HA )) ASSI { 465} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name HA )) 2.700 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.26053E-02 ppm1 1.749 ppm2 3.887 CV 1 OR { 465} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1182 and name HA )) ASSI { 466} ( segid " " and resid 1185 and name HD1%) (( segid " " and resid 1185 and name HA )) 2.500 0.800 0.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 0.770 ppm2 3.881 CV 1 OR { 466} ( segid " " and resid 1185 and name HD1%) (( segid " " and resid 1169 and name HA )) ASSI { 467} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1169 and name HA )) 2.100 0.500 0.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.14606E-01 ppm1 0.737 ppm2 3.877 CV 1 OR { 467} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1185 and name HA )) ASSI { 475} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1184 and name H )) 3.300 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 4.113 ppm2 8.026 CV 1 OR { 475} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1183 and name H )) ASSI { 480} (( segid " " and resid 1181 and name HB3 )) (( segid " " and resid 1181 and name HB2 )) 1.900 0.400 0.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.13973E-01 ppm1 3.824 ppm2 4.037 CV 1 OR { 480} (( segid " " and resid 1173 and name HB2 )) (( segid " " and resid 1173 and name HA )) ASSI { 491} (( segid " " and resid 1179 and name HD2 )) (( segid " " and resid 1179 and name HG3 )) 2.700 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.54137E-02 ppm1 3.905 ppm2 2.078 CV 1 OR { 491} (( segid " " and resid 1145 and name HD3 )) (( segid " " and resid 1145 and name HG2 )) ASSI { 492} (( segid " " and resid 1179 and name HD2 )) (( segid " " and resid 1179 and name HG2 )) 2.300 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.52657E-02 ppm1 3.905 ppm2 1.979 CV 1 OR { 492} (( segid " " and resid 1145 and name HD3 )) (( segid " " and resid 1145 and name HB3 )) ASSI { 498} (( segid " " and resid 1179 and name HB3 )) (( segid " " and resid 1179 and name HG3 )) 2.100 0.500 0.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.14779E-01 ppm1 1.951 ppm2 2.088 CV 1 OR { 498} (( segid " " and resid 1145 and name HB3 )) (( segid " " and resid 1145 and name HG2 )) ASSI { 521} (( segid " " and resid 1170 and name HB3 )) (( segid " " and resid 1170 and name HA )) 2.500 0.800 0.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.54240E-02 ppm1 1.950 ppm2 3.889 CV 1 OR { 521} (( segid " " and resid 1145 and name HB3 )) (( segid " " and resid 1145 and name HD3 )) ASSI { 523} (( segid " " and resid 1179 and name HB3 )) (( segid " " and resid 1179 and name HA )) 2.200 0.600 0.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.69660E-02 ppm1 1.951 ppm2 4.232 CV 1 OR { 523} (( segid " " and resid 1078 and name HB3 )) (( segid " " and resid 1078 and name HA )) ASSI { 526} (( segid " " and resid 1179 and name HD2 )) (( segid " " and resid 1178 and name HA )) 2.100 0.600 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.10377E-01 ppm1 3.904 ppm2 4.951 CV 1 OR { 526} (( segid " " and resid 1145 and name HD3 )) (( segid " " and resid 1144 and name HA )) ASSI { 527} (( segid " " and resid 1145 and name HG2 )) (( segid " " and resid 1144 and name HA )) 4.000 2.000 2.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 2.082 ppm2 4.951 CV 1 OR { 527} (( segid " " and resid 1179 and name HG3 )) (( segid " " and resid 1178 and name HA )) ASSI { 532} (( segid " " and resid 1179 and name HG2 )) (( segid " " and resid 1179 and name HD2 )) 2.300 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.46324E-02 ppm1 1.978 ppm2 3.908 CV 1 OR { 532} (( segid " " and resid 1145 and name HG3 )) (( segid " " and resid 1145 and name HD3 )) ASSI { 554} (( segid " " and resid 1178 and name HB3 )) (( segid " " and resid 1181 and name HB2 )) 2.900 1.100 1.100 peak 554 spectrum 1 weight 0.10000E+01 volume 0.21579E-02 ppm1 2.955 ppm2 4.002 CV 1 OR { 554} (( segid " " and resid 1161 and name HE3 )) (( segid " " and resid 1161 and name HA )) ASSI { 565} (( segid " " and resid 1176 and name HD3 )) (( segid " " and resid 1176 and name HB3 )) 3.400 1.400 1.400 peak 565 spectrum 1 weight 0.10000E+01 volume 0.14042E-02 ppm1 3.503 ppm2 2.212 CV 1 OR { 565} (( segid " " and resid 1047 and name HD3 )) (( segid " " and resid 1047 and name HB2 )) ASSI { 571} (( segid " " and resid 1176 and name HA )) (( segid " " and resid 1175 and name H )) 3.700 1.700 1.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10841E-02 ppm1 4.368 ppm2 7.584 CV 1 OR { 571} (( segid " " and resid 1176 and name HA )) (( segid " " and resid 1178 and name H )) ASSI { 625} (( segid " " and resid 1166 and name HB )) (( segid " " and resid 1166 and name H )) 2.700 0.900 0.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.24504E-02 ppm1 1.904 ppm2 8.214 CV 1 OR { 625} (( segid " " and resid 1166 and name HB )) (( segid " " and resid 1167 and name H )) ASSI { 639} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1121 and name HA )) 2.500 2.500 3.500 peak 639 spectrum 1 weight 0.10000E+01 volume 0.22749E-02 ppm1 0.666 ppm2 3.759 CV 1 OR { 639} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1125 and name HA )) ASSI { 669} (( segid " " and resid 1166 and name HB )) ( segid " " and resid 1166 and name HG2%) 2.500 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.35586E-02 ppm1 1.905 ppm2 0.931 CV 1 OR { 669} (( segid " " and resid 1166 and name HB )) ( segid " " and resid 1054 and name HD1%) ASSI { 685} (( segid " " and resid 1165 and name HB3 )) (( segid " " and resid 1162 and name HA )) 3.000 1.100 1.100 peak 685 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 2.290 ppm2 3.923 CV 1 OR { 685} (( segid " " and resid 1165 and name HB3 )) (( segid " " and resid 1165 and name HA )) ASSI { 686} (( segid " " and resid 1165 and name HB2 )) (( segid " " and resid 1165 and name HA )) 2.800 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 1.347 ppm2 3.925 CV 1 OR { 686} (( segid " " and resid 1165 and name HB2 )) (( segid " " and resid 1162 and name HA )) ASSI { 687} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1165 and name HA )) 2.500 0.800 0.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.56408E-02 ppm1 0.867 ppm2 3.917 CV 1 OR { 687} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1189 and name HA )) ASSI { 693} (( segid " " and resid 1165 and name HB3 )) ( segid " " and resid 1188 and name HG2%) 3.800 1.800 1.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 2.287 ppm2 0.943 CV 1 OR { 693} (( segid " " and resid 1165 and name HB3 )) ( segid " " and resid 1192 and name HG2%) ASSI { 698} (( segid " " and resid 1165 and name HB2 )) ( segid " " and resid 1188 and name HG2%) 2.800 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 1.347 ppm2 0.941 CV 1 OR { 698} (( segid " " and resid 1165 and name HB2 )) ( segid " " and resid 1192 and name HG2%) OR { 698} (( segid " " and resid 1159 and name HB3 )) ( segid " " and resid 1057 and name HG1%) ASSI { 699} (( segid " " and resid 1165 and name HB2 )) ( segid " " and resid 1165 and name HD2%) 2.900 1.100 1.100 peak 699 spectrum 1 weight 0.10000E+01 volume 0.27568E-02 ppm1 1.351 ppm2 0.852 CV 1 OR { 699} (( segid " " and resid 1165 and name HB2 )) ( segid " " and resid 1165 and name HD1%) OR { 699} (( segid " " and resid 1159 and name HB3 )) ( segid " " and resid 1159 and name HD1%) ASSI { 701} (( segid " " and resid 1165 and name HG )) (( segid " " and resid 1165 and name HA )) 3.200 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 1.400 ppm2 3.920 CV 1 OR { 701} (( segid " " and resid 1165 and name HG )) (( segid " " and resid 1189 and name HA )) ASSI { 706} (( segid " " and resid 1162 and name HA )) ( segid " " and resid 1162 and name HB% ) 2.200 0.600 0.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.10353E-01 ppm1 3.923 ppm2 1.349 CV 1 OR { 706} (( segid " " and resid 1053 and name HA )) ( segid " " and resid 1053 and name HB% ) ASSI { 713} (( segid " " and resid 1162 and name HA )) ( segid " " and resid 1192 and name HG1%) 2.900 1.100 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 3.914 ppm2 0.848 CV 1 OR { 713} (( segid " " and resid 1162 and name HA )) ( segid " " and resid 1165 and name HD1%) ASSI { 716} (( segid " " and resid 1069 and name HA )) (( segid " " and resid 1072 and name H )) 2.600 0.900 0.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.45188E-02 ppm1 3.934 ppm2 7.930 CV 1 OR { 716} (( segid " " and resid 1069 and name HA )) (( segid " " and resid 1070 and name H )) ASSI { 730} (( segid " " and resid 1160 and name HA )) (( segid " " and resid 1163 and name HB2 )) 2.900 1.100 1.100 peak 730 spectrum 1 weight 0.10000E+01 volume 0.22474E-02 ppm1 4.283 ppm2 3.994 CV 1 OR { 730} (( segid " " and resid 1160 and name HA )) (( segid " " and resid 1161 and name HA )) OR { 730} (( segid " " and resid 1063 and name HA )) (( segid " " and resid 1062 and name HA )) ASSI { 760} ( segid " " and resid 1192 and name HG1%) (( segid " " and resid 1162 and name H )) 3.400 1.400 1.400 peak 760 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 0.834 ppm2 9.165 CV 1 OR { 760} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1162 and name H )) ASSI { 774} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1199 and name HB2 )) 3.900 1.900 1.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.92923E-03 ppm1 0.791 ppm2 2.786 CV 1 OR { 774} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1160 and name HB2 )) OR { 774} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1160 and name HB3 )) ASSI { 789} (( segid " " and resid 1157 and name HA )) (( segid " " and resid 1157 and name HB3 )) 2.300 0.600 0.600 peak 789 spectrum 1 weight 0.10000E+01 volume 0.98948E-02 ppm1 4.504 ppm2 2.773 CV 1 OR { 789} (( segid " " and resid 1157 and name HA )) (( segid " " and resid 1157 and name HB2 )) OR { 789} (( segid " " and resid 1157 and name HA )) (( segid " " and resid 1160 and name HB2 )) ASSI { 803} (( segid " " and resid 1155 and name HA )) ( segid " " and resid 1064 and name HD1%) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.22749E-02 ppm1 3.953 ppm2 0.833 CV 1 OR { 803} (( segid " " and resid 1155 and name HA )) ( segid " " and resid 1131 and name HD2%) ASSI { 806} (( segid " " and resid 1095 and name HB )) ( segid " " and resid 1095 and name HG2%) 2.400 0.700 0.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.51727E-02 ppm1 4.151 ppm2 1.270 CV 1 OR { 806} (( segid " " and resid 1154 and name HB )) ( segid " " and resid 1154 and name HG2%) OR { 806} (( segid " " and resid 1088 and name HB )) ( segid " " and resid 1088 and name HG2%) ASSI { 811} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1157 and name HB2 )) 3.200 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.35724E-02 ppm1 1.268 ppm2 2.779 CV 1 OR { 811} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1199 and name HB2 )) ASSI { 815} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1154 and name HB )) 2.000 0.500 0.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.16812E-01 ppm1 1.268 ppm2 4.182 CV 1 OR { 815} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1199 and name HA )) ASSI { 838} (( segid " " and resid 1051 and name HB3 )) (( segid " " and resid 1051 and name HA )) 2.800 1.000 1.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.29322E-02 ppm1 2.654 ppm2 4.377 CV 1 OR { 838} (( segid " " and resid 1090 and name HB2 )) (( segid " " and resid 1090 and name HA )) ASSI { 840} (( segid " " and resid 1153 and name HB2 )) (( segid " " and resid 1153 and name HA )) 2.700 0.900 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 2.788 ppm2 4.367 CV 1 OR { 840} (( segid " " and resid 1090 and name HB3 )) (( segid " " and resid 1090 and name HA )) ASSI { 848} (( segid " " and resid 1051 and name HA )) (( segid " " and resid 1051 and name HB2 )) 2.400 0.700 0.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.74543E-02 ppm1 4.370 ppm2 2.580 CV 1 OR { 848} (( segid " " and resid 1153 and name HA )) (( segid " " and resid 1153 and name HB3 )) ASSI { 851} (( segid " " and resid 1090 and name HB3 )) (( segid " " and resid 1091 and name HB2 )) 4.100 2.100 1.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.62639E-03 ppm1 2.786 ppm2 1.897 CV 1 OR { 851} (( segid " " and resid 1153 and name HB2 )) (( segid " " and resid 1152 and name HB3 )) ASSI { 866} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1141 and name H )) 3.300 1.400 1.400 peak 866 spectrum 1 weight 0.10000E+01 volume 0.31663E-02 ppm1 0.635 ppm2 7.369 CV 1 OR { 866} ( segid " " and resid 1152 and name HD1%) (( segid " " and resid 1152 and name H )) ASSI { 875} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1139 and name HA )) 2.500 2.500 3.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 0.544 ppm2 3.758 CV 1 OR { 875} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1068 and name HA )) ASSI { 898} ( segid " " and resid 1060 and name HD1%) (( segid " " and resid 1129 and name HB3 )) 2.800 1.000 1.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.47150E-02 ppm1 0.645 ppm2 2.003 CV 1 OR { 898} ( segid " " and resid 1141 and name HD1%) ( segid " " and resid 1084 and name HE% ) OR { 898} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1084 and name HB3 )) ASSI { 913} (( segid " " and resid 1088 and name HA )) (( segid " " and resid 1090 and name H )) 3.800 1.800 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.56787E-03 ppm1 3.707 ppm2 9.027 CV 1 OR { 913} (( segid " " and resid 1151 and name HA )) (( segid " " and resid 1153 and name H )) ASSI { 929} (( segid " " and resid 1151 and name HA )) (( segid " " and resid 1152 and name HA )) 3.400 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 3.706 ppm2 4.006 CV 1 OR { 929} (( segid " " and resid 1151 and name HA )) (( segid " " and resid 1150 and name HA )) ASSI { 932} ( segid " " and resid 1138 and name HG2%) (( segid " " and resid 1135 and name HA )) 2.300 0.600 0.600 peak 932 spectrum 1 weight 0.10000E+01 volume 0.13822E-01 ppm1 0.940 ppm2 3.697 CV 1 OR { 932} ( segid " " and resid 1151 and name HG1%) (( segid " " and resid 1151 and name HA )) ASSI { 934} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1199 and name HA )) 3.600 1.600 1.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 0.822 ppm2 4.171 CV 1 OR { 934} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1154 and name HB )) ASSI { 936} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1151 and name HA )) 2.200 0.600 0.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.10342E-01 ppm1 0.832 ppm2 3.692 CV 1 OR { 936} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1135 and name HA )) ASSI { 942} (( segid " " and resid 1151 and name HB )) ( segid " " and resid 1151 and name HG1%) 2.200 0.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.81394E-02 ppm1 2.059 ppm2 0.938 CV 1 OR { 942} (( segid " " and resid 1188 and name HB )) ( segid " " and resid 1188 and name HG2%) ASSI { 949} ( segid " " and resid 1151 and name HG1%) ( segid " " and resid 1142 and name HG2%) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.40060E-02 ppm1 0.940 ppm2 1.205 CV 1 OR { 949} ( segid " " and resid 1151 and name HG1%) ( segid " " and resid 1135 and name HB% ) OR { 949} ( segid " " and resid 1138 and name HG2%) ( segid " " and resid 1135 and name HB% ) ASSI { 977} (( segid " " and resid 1067 and name HG12)) (( segid " " and resid 1067 and name HA )) 2.700 0.900 0.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.31663E-02 ppm1 1.673 ppm2 3.722 CV 1 OR { 977} (( segid " " and resid 1109 and name HG13)) (( segid " " and resid 1109 and name HA )) ASSI { 999} ( segid " " and resid 1150 and name HG2%) ( segid " " and resid 1149 and name HB% ) 2.700 2.700 3.300 peak 999 spectrum 1 weight 0.10000E+01 volume 0.15831E-02 ppm1 1.029 ppm2 1.430 CV 1 OR { 999} ( segid " " and resid 1150 and name HG2%) ( segid " " and resid 1146 and name HB% ) ASSI { 1008} (( segid " " and resid 1150 and name HB )) ( segid " " and resid 1151 and name HG1%) 3.300 1.400 1.400 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.31078E-02 ppm1 1.906 ppm2 0.939 CV 1 OR { 1008} (( segid " " and resid 1150 and name HB )) ( segid " " and resid 1147 and name HG1%) ASSI { 1053} (( segid " " and resid 1058 and name HG3 )) (( segid " " and resid 1058 and name HB2 )) 2.400 0.700 0.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.50833E-02 ppm1 2.362 ppm2 1.924 CV 1 OR { 1053} (( segid " " and resid 1148 and name HG3 )) (( segid " " and resid 1148 and name HB3 )) ASSI { 1073} ( segid " " and resid 1147 and name HG1%) (( segid " " and resid 1144 and name H )) 3.600 1.700 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 0.949 ppm2 7.812 CV 1 OR { 1073} ( segid " " and resid 1056 and name HG1%) (( segid " " and resid 1055 and name H )) ASSI { 1079} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1204 and name HA )) 4.000 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.77781E-03 ppm1 0.871 ppm2 4.362 CV 1 OR { 1079} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1143 and name HA )) ASSI { 1092} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1204 and name HB2 )) 3.400 1.500 1.500 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.26914E-02 ppm1 0.871 ppm2 1.914 CV 1 OR { 1092} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1148 and name HB3 )) ASSI { 1107} ( segid " " and resid 1146 and name HB% ) (( segid " " and resid 1148 and name H )) 3.400 1.500 1.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.28807E-02 ppm1 1.427 ppm2 8.009 CV 1 OR { 1107} ( segid " " and resid 1149 and name HB% ) (( segid " " and resid 1148 and name H )) ASSI { 1112} (( segid " " and resid 1141 and name HA )) ( segid " " and resid 1084 and name HE% ) 3.500 1.500 1.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 4.212 ppm2 1.997 CV 1 OR { 1112} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1194 and name HB3 )) ASSI { 1113} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1190 and name HB2 )) 3.200 1.200 1.200 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.17621E-02 ppm1 4.194 ppm2 1.917 CV 1 OR { 1113} (( segid " " and resid 1146 and name HA )) (( segid " " and resid 1150 and name HB )) ASSI { 1114} (( segid " " and resid 1101 and name HA )) ( segid " " and resid 1101 and name HB% ) 2.100 0.500 0.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.12644E-01 ppm1 4.195 ppm2 1.507 CV 1 OR { 1114} (( segid " " and resid 1191 and name HA )) ( segid " " and resid 1191 and name HB% ) ASSI { 1117} (( segid " " and resid 1179 and name HG3 )) (( segid " " and resid 1179 and name HG2 )) 1.600 0.300 0.600 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.24319E-01 ppm1 2.078 ppm2 2.004 CV 1 OR { 1117} (( segid " " and resid 1145 and name HG2 )) (( segid " " and resid 1145 and name HG3 )) ASSI { 1121} (( segid " " and resid 1145 and name HA )) (( segid " " and resid 1148 and name HB2 )) 2.700 0.900 0.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.39717E-02 ppm1 4.321 ppm2 2.083 CV 1 OR { 1121} (( segid " " and resid 1145 and name HA )) (( segid " " and resid 1145 and name HG2 )) ASSI { 1148} (( segid " " and resid 1144 and name HB3 )) ( segid " " and resid 1147 and name HG2%) 3.500 1.500 1.500 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 2.805 ppm2 0.858 CV 1 OR { 1148} (( segid " " and resid 1160 and name HB2 )) ( segid " " and resid 1159 and name HD1%) ASSI { 1150} (( segid " " and resid 1144 and name HB2 )) (( segid " " and resid 1147 and name HB )) 4.000 2.000 2.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.11220E-02 ppm1 2.534 ppm2 2.092 CV 1 OR { 1150} (( segid " " and resid 1144 and name HB2 )) (( segid " " and resid 1145 and name HG2 )) ASSI { 1177} (( segid " " and resid 1078 and name HA )) (( segid " " and resid 1078 and name HD3 )) 3.500 1.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 4.214 ppm2 3.756 CV 1 OR { 1177} (( segid " " and resid 1078 and name HA )) (( segid " " and resid 1140 and name HA )) ASSI { 1180} (( segid " " and resid 1142 and name HB )) (( segid " " and resid 1138 and name HA )) 3.900 1.900 1.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.45774E-03 ppm1 4.068 ppm2 3.464 CV 1 OR { 1180} (( segid " " and resid 1142 and name HB )) (( segid " " and resid 1148 and name HA )) ASSI { 1186} (( segid " " and resid 1142 and name HB )) (( segid " " and resid 1148 and name HG2 )) 3.900 1.900 1.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.12699E-02 ppm1 4.070 ppm2 2.081 CV 1 OR { 1186} (( segid " " and resid 1142 and name HB )) (( segid " " and resid 1147 and name HB )) ASSI { 1188} (( segid " " and resid 1078 and name HA )) (( segid " " and resid 1078 and name HG2 )) 3.600 1.600 1.600 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 4.211 ppm2 1.756 CV 1 OR { 1188} (( segid " " and resid 1142 and name HA )) (( segid " " and resid 1141 and name HB3 )) ASSI { 1192} (( segid " " and resid 1078 and name HA )) ( segid " " and resid 1140 and name HB% ) 2.600 0.900 0.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.40198E-02 ppm1 4.215 ppm2 1.188 CV 1 OR { 1192} (( segid " " and resid 1142 and name HA )) ( segid " " and resid 1142 and name HG2%) ASSI { 1209} ( segid " " and resid 1141 and name HD2%) (( segid " " and resid 1141 and name HG )) 1.900 0.500 0.500 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.19944E-01 ppm1 0.818 ppm2 1.593 CV 1 OR { 1209} ( segid " " and resid 1048 and name HD2%) (( segid " " and resid 1048 and name HG )) OR { 1209} ( segid " " and resid 1048 and name HD2%) (( segid " " and resid 1048 and name HB3 )) ASSI { 1219} (( segid " " and resid 1191 and name HA )) ( segid " " and resid 1192 and name HG2%) 3.900 1.900 1.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.15109E-02 ppm1 4.201 ppm2 0.938 CV 1 OR { 1219} (( segid " " and resid 1146 and name HA )) ( segid " " and resid 1147 and name HG1%) ASSI { 1231} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1077 and name HB2 )) 2.800 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.31422E-02 ppm1 1.166 ppm2 1.756 CV 1 OR { 1231} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1141 and name HB3 )) ASSI { 1236} (( segid " " and resid 1140 and name HA )) (( segid " " and resid 1078 and name HA )) 3.900 1.900 1.900 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.85006E-03 ppm1 3.760 ppm2 4.233 CV 1 OR { 1236} (( segid " " and resid 1140 and name HA )) (( segid " " and resid 1141 and name HA )) ASSI { 1244} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1071 and name H )) 2.300 0.600 0.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.89105E-02 ppm1 1.307 ppm2 8.587 CV 1 OR { 1244} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1140 and name H )) ASSI { 1252} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1136 and name HA )) 2.700 0.900 0.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.35001E-02 ppm1 1.304 ppm2 3.564 CV 1 OR { 1252} ( segid " " and resid 1117 and name HB% ) (( segid " " and resid 1118 and name HA2 )) ASSI { 1257} ( segid " " and resid 1117 and name HB% ) (( segid " " and resid 1050 and name HG3 )) 3.100 1.200 1.200 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.36860E-02 ppm1 1.304 ppm2 2.395 CV 1 OR { 1257} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1148 and name HG3 )) ASSI { 1270} (( segid " " and resid 1138 and name HB )) (( segid " " and resid 1138 and name H )) 2.500 0.800 0.800 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.33005E-02 ppm1 1.968 ppm2 8.391 CV 1 OR { 1270} (( segid " " and resid 1138 and name HB )) (( segid " " and resid 1139 and name H )) ASSI { 1286} (( segid " " and resid 1138 and name HA )) (( segid " " and resid 1138 and name HB )) 2.900 1.100 1.100 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.21028E-02 ppm1 3.475 ppm2 1.988 CV 1 OR { 1286} (( segid " " and resid 1138 and name HA )) ( segid " " and resid 1084 and name HE% ) ASSI { 1296} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1204 and name HD3 )) 2.900 1.000 1.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 0.753 ppm2 3.675 CV 1 OR { 1296} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1135 and name HA )) ASSI { 1297} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1138 and name HA )) 2.300 0.700 0.700 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.78161E-02 ppm1 0.753 ppm2 3.473 CV 1 OR { 1297} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1204 and name HD2 )) ASSI { 1301} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1138 and name HB )) 2.100 0.600 0.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.10538E-01 ppm1 0.753 ppm2 1.985 CV 1 OR { 1301} ( segid " " and resid 1138 and name HG1%) ( segid " " and resid 1084 and name HE% ) ASSI { 1308} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1203 and name HB2 )) 4.300 2.300 1.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.94299E-03 ppm1 0.752 ppm2 1.740 CV 1 OR { 1308} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1141 and name HB3 )) ASSI { 1327} (( segid " " and resid 1136 and name HA )) ( segid " " and resid 1067 and name HG2%) 3.100 1.200 1.200 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 3.565 ppm2 0.858 CV 1 OR { 1327} (( segid " " and resid 1136 and name HA )) ( segid " " and resid 1151 and name HG2%) ASSI { 1328} (( segid " " and resid 1136 and name HA )) ( segid " " and resid 1076 and name HD1%) 3.400 1.500 1.500 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.12872E-02 ppm1 3.562 ppm2 0.741 CV 1 OR { 1328} (( segid " " and resid 1136 and name HA )) ( segid " " and resid 1067 and name HD1%) ASSI { 1334} (( segid " " and resid 1135 and name HA )) ( segid " " and resid 1151 and name HG2%) 2.500 0.800 0.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.50316E-02 ppm1 3.675 ppm2 0.832 CV 1 OR { 1334} (( segid " " and resid 1135 and name HA )) ( segid " " and resid 1091 and name HD1%) ASSI { 1336} ( segid " " and resid 1135 and name HB% ) ( segid " " and resid 1151 and name HG1%) 3.500 1.500 1.500 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.17690E-02 ppm1 1.197 ppm2 0.931 CV 1 OR { 1336} ( segid " " and resid 1135 and name HB% ) ( segid " " and resid 1138 and name HG2%) ASSI { 1337} ( segid " " and resid 1135 and name HB% ) ( segid " " and resid 1151 and name HG2%) 2.200 0.600 0.600 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.11058E-01 ppm1 1.196 ppm2 0.834 CV 1 OR { 1337} ( segid " " and resid 1135 and name HB% ) ( segid " " and resid 1091 and name HD1%) ASSI { 1341} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1138 and name HB )) 3.500 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.20856E-02 ppm1 1.197 ppm2 1.966 CV 1 OR { 1341} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1136 and name HB2 )) ASSI { 1344} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1152 and name HA )) 2.900 1.000 1.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.25675E-02 ppm1 1.196 ppm2 3.969 CV 1 OR { 1344} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1155 and name HA )) ASSI { 1382} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1182 and name HB3 )) 2.500 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.42848E-02 ppm1 3.908 ppm2 2.136 CV 1 OR { 1382} (( segid " " and resid 1133 and name HA )) (( segid " " and resid 1133 and name HB3 )) ASSI { 1384} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1182 and name HB2 )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.35862E-02 ppm1 3.906 ppm2 2.046 CV 1 OR { 1384} (( segid " " and resid 1133 and name HA )) (( segid " " and resid 1133 and name HB2 )) ASSI { 1385} (( segid " " and resid 1194 and name HB2 )) (( segid " " and resid 1194 and name HG3 )) 2.200 0.600 0.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.11216E-01 ppm1 2.153 ppm2 2.317 CV 1 OR { 1385} (( segid " " and resid 1089 and name HB3 )) (( segid " " and resid 1089 and name HG3 )) OR { 1385} (( segid " " and resid 1089 and name HB2 )) (( segid " " and resid 1089 and name HG3 )) OR { 1385} (( segid " " and resid 1133 and name HB3 )) (( segid " " and resid 1133 and name HG3 )) ASSI { 1386} (( segid " " and resid 1182 and name HG3 )) (( segid " " and resid 1182 and name HB2 )) 2.500 0.800 0.800 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.49353E-02 ppm1 2.444 ppm2 2.047 CV 1 OR { 1386} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HB2 )) ASSI { 1387} (( segid " " and resid 1089 and name HB3 )) (( segid " " and resid 1089 and name HA )) 2.200 0.600 0.600 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.12675E-01 ppm1 2.135 ppm2 4.032 CV 1 OR { 1387} (( segid " " and resid 1183 and name HB2 )) (( segid " " and resid 1183 and name HA )) OR { 1387} (( segid " " and resid 1194 and name HB2 )) (( segid " " and resid 1194 and name HA )) OR { 1387} (( segid " " and resid 1089 and name HB2 )) (( segid " " and resid 1089 and name HA )) ASSI { 1419} (( segid " " and resid 1132 and name HA )) ( segid " " and resid 1132 and name HB% ) 2.300 0.700 0.700 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.78747E-02 ppm1 3.739 ppm2 1.468 CV 1 OR { 1419} (( segid " " and resid 1125 and name HA )) ( segid " " and resid 1125 and name HB% ) ASSI { 1422} (( segid " " and resid 1125 and name HA )) ( segid " " and resid 1057 and name HG2%) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.44397E-02 ppm1 3.761 ppm2 0.955 CV 1 OR { 1422} (( segid " " and resid 1121 and name HA )) ( segid " " and resid 1124 and name HG1%) ASSI { 1424} (( segid " " and resid 1121 and name HA )) ( segid " " and resid 1124 and name HG2%) 2.500 0.800 0.800 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.42057E-02 ppm1 3.739 ppm2 0.758 CV 1 OR { 1424} (( segid " " and resid 1125 and name HA )) ( segid " " and resid 1124 and name HG2%) ASSI { 1425} (( segid " " and resid 1121 and name HA )) ( segid " " and resid 1105 and name HD1%) 2.500 0.800 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.45257E-02 ppm1 3.769 ppm2 0.678 CV 1 OR { 1425} (( segid " " and resid 1125 and name HA )) ( segid " " and resid 1128 and name HD1%) ASSI { 1432} (( segid " " and resid 1131 and name HA )) ( segid " " and resid 1131 and name HD2%) 2.300 0.700 0.700 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.58404E-02 ppm1 3.966 ppm2 0.851 CV 1 OR { 1432} (( segid " " and resid 1129 and name HA )) ( segid " " and resid 1060 and name HD2%) ASSI { 1444} (( segid " " and resid 1131 and name HA )) (( segid " " and resid 1131 and name H )) 2.600 0.800 0.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.36240E-02 ppm1 3.968 ppm2 8.289 CV 1 OR { 1444} (( segid " " and resid 1167 and name HA )) (( segid " " and resid 1170 and name H )) ASSI { 1451} (( segid " " and resid 1131 and name HA )) (( segid " " and resid 1132 and name H )) 3.000 1.100 1.100 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.17312E-02 ppm1 3.966 ppm2 8.727 CV 1 OR { 1451} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1132 and name H )) ASSI { 1454} ( segid " " and resid 1131 and name HD2%) ( segid " " and resid 1200 and name HG1%) 3.100 1.200 1.200 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.17862E-02 ppm1 0.837 ppm2 1.023 CV 1 OR { 1454} ( segid " " and resid 1131 and name HD2%) ( segid " " and resid 1098 and name HG1%) ASSI { 1483} (( segid " " and resid 1122 and name HB3 )) (( segid " " and resid 1122 and name HG3 )) 2.900 1.100 1.100 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.28531E-02 ppm1 2.011 ppm2 1.481 CV 1 OR { 1483} (( segid " " and resid 1129 and name HB3 )) (( segid " " and resid 1129 and name HG3 )) ASSI { 1485} (( segid " " and resid 1129 and name HB3 )) (( segid " " and resid 1129 and name HG2 )) 2.500 0.800 0.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.29701E-02 ppm1 1.999 ppm2 1.784 CV 1 OR { 1485} (( segid " " and resid 1122 and name HB3 )) (( segid " " and resid 1122 and name HG2 )) ASSI { 1489} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1126 and name HA3 )) 3.100 1.200 1.200 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.26053E-02 ppm1 1.487 ppm2 3.973 CV 1 OR { 1489} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1129 and name HA )) ASSI { 1494} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1131 and name H )) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.27120E-02 ppm1 4.029 ppm2 8.289 CV 1 OR { 1494} (( segid " " and resid 1064 and name HA )) (( segid " " and resid 1067 and name H )) ASSI { 1495} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1128 and name H )) 3.000 1.100 1.100 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.15316E-02 ppm1 4.039 ppm2 8.125 CV 1 OR { 1495} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1129 and name H )) ASSI { 1499} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1131 and name HB3 )) 2.600 0.900 0.900 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.30940E-02 ppm1 4.039 ppm2 1.944 CV 1 OR { 1499} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1128 and name HB2 )) OR { 1499} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1128 and name HG )) ASSI { 1501} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1131 and name HB2 )) 2.800 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 4.030 ppm2 1.692 CV 1 OR { 1501} (( segid " " and resid 1064 and name HA )) (( segid " " and resid 1064 and name HG )) ASSI { 1506} (( segid " " and resid 1128 and name HA )) ( segid " " and resid 1128 and name HD2%) 2.400 0.700 0.700 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.49835E-02 ppm1 4.035 ppm2 0.726 CV 1 OR { 1506} (( segid " " and resid 1064 and name HA )) ( segid " " and resid 1067 and name HD1%) ASSI { 1525} ( segid " " and resid 1091 and name HD2%) (( segid " " and resid 1091 and name HG )) 2.200 0.600 0.600 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.92097E-02 ppm1 0.777 ppm2 1.594 CV 1 OR { 1525} ( segid " " and resid 1079 and name HD2%) (( segid " " and resid 1079 and name HG )) ASSI { 1529} (( segid " " and resid 1128 and name HB3 )) ( segid " " and resid 1098 and name HG2%) 4.100 2.100 1.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.87073E-03 ppm1 1.150 ppm2 0.862 CV 1 OR { 1529} (( segid " " and resid 1128 and name HB3 )) ( segid " " and resid 1060 and name HD2%) ASSI { 1532} (( segid " " and resid 1128 and name HB2 )) ( segid " " and resid 1098 and name HG2%) 4.200 2.200 1.800 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.64361E-03 ppm1 1.942 ppm2 0.858 CV 1 OR { 1532} (( segid " " and resid 1128 and name HB2 )) ( segid " " and resid 1060 and name HD2%) ASSI { 1540} (( segid " " and resid 1128 and name HB3 )) (( segid " " and resid 1128 and name H )) 3.900 1.900 1.900 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.98087E-03 ppm1 1.146 ppm2 8.124 CV 1 OR { 1540} (( segid " " and resid 1128 and name HB3 )) (( segid " " and resid 1129 and name H )) ASSI { 1541} (( segid " " and resid 1128 and name HB2 )) (( segid " " and resid 1128 and name H )) 3.000 1.100 1.100 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 1.931 ppm2 8.123 CV 1 OR { 1541} (( segid " " and resid 1128 and name HB2 )) (( segid " " and resid 1129 and name H )) ASSI { 1542} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1131 and name H )) 3.700 1.700 1.700 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.14868E-02 ppm1 0.714 ppm2 8.291 CV 1 OR { 1542} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1163 and name H )) ASSI { 1548} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1159 and name HA )) 2.500 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.51762E-02 ppm1 0.667 ppm2 3.782 CV 1 OR { 1548} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1125 and name HA )) ASSI { 1551} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1124 and name HA )) 3.400 1.500 1.500 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 0.667 ppm2 3.422 CV 1 OR { 1551} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1057 and name HA )) ASSI { 1552} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1098 and name HA )) 3.200 1.300 1.300 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 0.716 ppm2 3.518 CV 1 OR { 1552} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1127 and name HA2 )) ASSI { 1572} (( segid " " and resid 1127 and name HA3 )) (( segid " " and resid 1127 and name H )) 2.500 0.800 0.800 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.33900E-02 ppm1 3.994 ppm2 8.150 CV 1 OR { 1572} (( segid " " and resid 1127 and name HA3 )) (( segid " " and resid 1128 and name H )) ASSI { 1575} (( segid " " and resid 1127 and name HA2 )) (( segid " " and resid 1127 and name H )) 3.000 1.100 1.100 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.32076E-02 ppm1 3.511 ppm2 8.149 CV 1 OR { 1575} (( segid " " and resid 1127 and name HA2 )) (( segid " " and resid 1128 and name H )) ASSI { 1576} (( segid " " and resid 1127 and name HA2 )) (( segid " " and resid 1098 and name H )) 4.500 2.500 1.500 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.49904E-03 ppm1 3.520 ppm2 8.652 CV 1 OR { 1576} (( segid " " and resid 1127 and name HA2 )) (( segid " " and resid 1126 and name H )) ASSI { 1584} (( segid " " and resid 1126 and name HA2 )) ( segid " " and resid 1125 and name HB% ) 3.400 1.400 1.400 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 3.730 ppm2 1.478 CV 1 OR { 1584} (( segid " " and resid 1126 and name HA2 )) (( segid " " and resid 1129 and name HG3 )) ASSI { 1585} (( segid " " and resid 1126 and name HA3 )) (( segid " " and resid 1129 and name HG3 )) 3.700 1.700 1.700 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 3.975 ppm2 1.497 CV 1 OR { 1585} (( segid " " and resid 1127 and name HA3 )) ( segid " " and resid 1097 and name HB% ) OR { 1585} (( segid " " and resid 1126 and name HA3 )) ( segid " " and resid 1125 and name HB% ) ASSI { 1586} (( segid " " and resid 1124 and name HA )) (( segid " " and resid 1127 and name H )) 3.100 1.200 1.200 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.12080E-02 ppm1 3.406 ppm2 8.146 CV 1 OR { 1586} (( segid " " and resid 1124 and name HA )) (( segid " " and resid 1128 and name H )) ASSI { 1604} (( segid " " and resid 1124 and name HA )) ( segid " " and resid 1124 and name HG1%) 2.400 0.700 0.700 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.60438E-02 ppm1 3.419 ppm2 0.957 CV 1 OR { 1604} (( segid " " and resid 1057 and name HA )) ( segid " " and resid 1057 and name HG2%) OR { 1604} (( segid " " and resid 1057 and name HA )) ( segid " " and resid 1057 and name HG1%) ASSI { 1626} (( segid " " and resid 1122 and name HA )) ( segid " " and resid 1125 and name HB% ) 2.700 0.900 0.900 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.33487E-02 ppm1 3.893 ppm2 1.477 CV 1 OR { 1626} (( segid " " and resid 1122 and name HA )) (( segid " " and resid 1122 and name HG3 )) ASSI { 1638} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1123 and name HB3 )) 3.200 1.300 1.300 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.20409E-02 ppm1 4.203 ppm2 2.528 CV 1 OR { 1638} (( segid " " and resid 1101 and name HA )) (( segid " " and resid 1123 and name HB3 )) ASSI { 1639} (( segid " " and resid 1101 and name HA )) (( segid " " and resid 1123 and name HB2 )) 2.800 1.000 1.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.25433E-02 ppm1 4.201 ppm2 2.951 CV 1 OR { 1639} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1123 and name HB2 )) ASSI { 1661} (( segid " " and resid 1062 and name HA )) (( segid " " and resid 1062 and name H )) 2.600 0.800 0.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.38649E-02 ppm1 3.983 ppm2 7.411 CV 1 OR { 1661} (( segid " " and resid 1171 and name HA )) (( segid " " and resid 1171 and name H )) ASSI { 1666} (( segid " " and resid 1086 and name HA )) (( segid " " and resid 1086 and name HE3 )) 4.000 2.000 2.000 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.71932E-03 ppm1 3.982 ppm2 2.937 CV 1 OR { 1666} (( segid " " and resid 1086 and name HA )) (( segid " " and resid 1086 and name HE2 )) OR { 1666} (( segid " " and resid 1062 and name HA )) (( segid " " and resid 1062 and name HE3 )) OR { 1666} (( segid " " and resid 1062 and name HA )) (( segid " " and resid 1062 and name HE2 )) ASSI { 1671} (( segid " " and resid 1086 and name HA )) (( segid " " and resid 1086 and name HB2 )) 2.300 0.700 0.700 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.92852E-02 ppm1 3.990 ppm2 1.855 CV 1 OR { 1671} (( segid " " and resid 1086 and name HA )) (( segid " " and resid 1086 and name HB3 )) OR { 1671} (( segid " " and resid 1184 and name HA )) (( segid " " and resid 1184 and name HB2 )) ASSI { 1672} (( segid " " and resid 1184 and name HA )) (( segid " " and resid 1184 and name HB3 )) 2.500 0.800 0.800 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.42298E-02 ppm1 3.985 ppm2 1.736 CV 1 OR { 1672} (( segid " " and resid 1050 and name HA )) (( segid " " and resid 1050 and name HB2 )) ASSI { 1675} (( segid " " and resid 1062 and name HA )) (( segid " " and resid 1062 and name HG3 )) 2.600 0.800 0.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.57062E-02 ppm1 3.986 ppm2 1.437 CV 1 OR { 1675} (( segid " " and resid 1086 and name HA )) (( segid " " and resid 1086 and name HG2 )) OR { 1675} (( segid " " and resid 1184 and name HA )) (( segid " " and resid 1184 and name HG3 )) ASSI { 1689} (( segid " " and resid 1184 and name HB3 )) (( segid " " and resid 1168 and name HG2 )) 3.600 1.600 1.600 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.53345E-03 ppm1 1.748 ppm2 2.132 CV 1 OR { 1689} (( segid " " and resid 1184 and name HB3 )) (( segid " " and resid 1183 and name HB2 )) ASSI { 1719} (( segid " " and resid 1182 and name HG3 )) (( segid " " and resid 1182 and name HE22)) 3.400 1.400 1.400 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.25537E-02 ppm1 2.458 ppm2 7.374 CV 1 OR { 1719} (( segid " " and resid 1187 and name HG2 )) (( segid " " and resid 1187 and name HE22)) ASSI { 1778} (( segid " " and resid 1084 and name HA )) (( segid " " and resid 1084 and name HG3 )) 2.900 1.000 1.000 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.17759E-02 ppm1 4.150 ppm2 2.445 CV 1 OR { 1778} (( segid " " and resid 1084 and name HA )) (( segid " " and resid 1087 and name HB3 )) ASSI { 1805} (( segid " " and resid 1180 and name HG3 )) (( segid " " and resid 1180 and name HA )) 2.700 0.900 0.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.50902E-02 ppm1 2.165 ppm2 4.047 CV 1 OR { 1805} (( segid " " and resid 1049 and name HG3 )) (( segid " " and resid 1049 and name HA )) ASSI { 1828} (( segid " " and resid 1085 and name HG2 )) (( segid " " and resid 1085 and name HB3 )) 2.000 0.500 0.500 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.19893E-01 ppm1 2.165 ppm2 1.993 CV 1 OR { 1828} (( segid " " and resid 1049 and name HG3 )) (( segid " " and resid 1049 and name HB3 )) OR { 1828} (( segid " " and resid 1180 and name HG3 )) (( segid " " and resid 1180 and name HB2 )) OR { 1828} (( segid " " and resid 1167 and name HG3 )) (( segid " " and resid 1167 and name HB3 )) ASSI { 1829} (( segid " " and resid 1114 and name HG3 )) (( segid " " and resid 1114 and name HB3 )) 2.300 0.700 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.10624E-01 ppm1 2.125 ppm2 1.969 CV 1 OR { 1829} (( segid " " and resid 1114 and name HG3 )) (( segid " " and resid 1114 and name HB2 )) OR { 1829} (( segid " " and resid 1167 and name HG3 )) (( segid " " and resid 1167 and name HB3 )) ASSI { 1839} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1185 and name HA )) 3.200 1.300 1.300 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.11839E-02 ppm1 2.141 ppm2 3.879 CV 1 OR { 1839} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1169 and name HA )) ASSI { 1923} (( segid " " and resid 1170 and name HB2 )) (( segid " " and resid 1170 and name HE2 )) 3.300 1.300 1.300 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.16279E-02 ppm1 1.852 ppm2 2.842 CV 1 OR { 1923} (( segid " " and resid 1170 and name HB2 )) (( segid " " and resid 1170 and name HE3 )) OR { 1923} (( segid " " and resid 1104 and name HB2 )) (( segid " " and resid 1104 and name HE3 )) OR { 1923} (( segid " " and resid 1104 and name HB2 )) (( segid " " and resid 1104 and name HE2 )) ASSI { 1939} (( segid " " and resid 1161 and name HE2 )) (( segid " " and resid 1161 and name HG3 )) 2.300 0.700 0.700 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.10111E-01 ppm1 2.945 ppm2 1.495 CV 1 OR { 1939} (( segid " " and resid 1161 and name HE3 )) (( segid " " and resid 1161 and name HG3 )) OR { 1939} (( segid " " and resid 1161 and name HE2 )) ( segid " " and resid 1191 and name HB% ) ASSI { 1940} (( segid " " and resid 1161 and name HE3 )) (( segid " " and resid 1161 and name HD2 )) 2.100 0.600 0.600 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.12376E-01 ppm1 2.946 ppm2 1.426 CV 1 OR { 1940} (( segid " " and resid 1161 and name HE2 )) (( segid " " and resid 1161 and name HD2 )) OR { 1940} (( segid " " and resid 1161 and name HE2 )) (( segid " " and resid 1161 and name HG2 )) OR { 1940} (( segid " " and resid 1161 and name HE3 )) (( segid " " and resid 1161 and name HG2 )) OR { 1940} (( segid " " and resid 1086 and name HE2 )) (( segid " " and resid 1086 and name HG2 )) OR { 1940} (( segid " " and resid 1086 and name HE3 )) (( segid " " and resid 1086 and name HG2 )) ASSI { 1941} (( segid " " and resid 1161 and name HE3 )) (( segid " " and resid 1161 and name HD2 )) 2.500 0.800 0.800 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.52726E-02 ppm1 2.901 ppm2 1.399 CV 1 OR { 1941} (( segid " " and resid 1161 and name HE2 )) (( segid " " and resid 1161 and name HD2 )) OR { 1941} (( segid " " and resid 1161 and name HE2 )) (( segid " " and resid 1161 and name HG2 )) OR { 1941} (( segid " " and resid 1096 and name HE2 )) (( segid " " and resid 1096 and name HG3 )) OR { 1941} (( segid " " and resid 1077 and name HE3 )) (( segid " " and resid 1077 and name HG2 )) OR { 1941} (( segid " " and resid 1077 and name HE2 )) (( segid " " and resid 1077 and name HG2 )) ASSI { 1952} (( segid " " and resid 1085 and name HA )) (( segid " " and resid 1086 and name H )) 3.100 1.200 1.200 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 3.871 ppm2 7.538 CV 1 OR { 1952} (( segid " " and resid 1085 and name HA )) (( segid " " and resid 1089 and name H )) ASSI { 1966} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1062 and name HA )) 2.700 0.900 0.900 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.41231E-02 ppm1 1.436 ppm2 3.985 CV 1 OR { 1966} (( segid " " and resid 1086 and name HG2 )) (( segid " " and resid 1086 and name HA )) ASSI { 1969} (( segid " " and resid 1086 and name HG2 )) (( segid " " and resid 1086 and name HE2 )) 2.900 1.100 1.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.26914E-02 ppm1 1.436 ppm2 2.934 CV 1 OR { 1969} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1062 and name HE3 )) OR { 1969} (( segid " " and resid 1086 and name HG2 )) (( segid " " and resid 1086 and name HE3 )) OR { 1969} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1062 and name HE2 )) ASSI { 1970} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1062 and name HE3 )) 2.800 1.000 1.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.30871E-02 ppm1 1.570 ppm2 2.908 CV 1 OR { 1970} (( segid " " and resid 1096 and name HG2 )) (( segid " " and resid 1096 and name HE3 )) OR { 1970} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1062 and name HE2 )) OR { 1970} (( segid " " and resid 1096 and name HG2 )) (( segid " " and resid 1096 and name HE2 )) ASSI { 1971} (( segid " " and resid 1096 and name HD3 )) (( segid " " and resid 1096 and name HE2 )) 2.100 0.500 0.500 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.14475E-01 ppm1 1.650 ppm2 2.911 CV 1 OR { 1971} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1062 and name HE2 )) OR { 1971} (( segid " " and resid 1096 and name HD2 )) (( segid " " and resid 1096 and name HE3 )) OR { 1971} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1062 and name HE2 )) OR { 1971} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1062 and name HE3 )) OR { 1971} (( segid " " and resid 1096 and name HD3 )) (( segid " " and resid 1096 and name HE3 )) OR { 1971} (( segid " " and resid 1096 and name HD2 )) (( segid " " and resid 1096 and name HE2 )) ASSI { 1972} (( segid " " and resid 1062 and name HB3 )) (( segid " " and resid 1061 and name HG2 )) 4.000 2.000 2.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 1.970 ppm2 2.524 CV 1 OR { 1972} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1063 and name HB2 )) OR { 1972} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1061 and name HG2 )) ASSI { 1978} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1061 and name HG3 )) 3.200 1.300 1.300 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.16451E-02 ppm1 1.655 ppm2 2.196 CV 1 OR { 1978} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1061 and name HG3 )) OR { 1978} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1058 and name HB3 )) ASSI { 2028} (( segid " " and resid 1058 and name HA )) (( segid " " and resid 1061 and name HG2 )) 2.500 0.800 0.800 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.27258E-02 ppm1 4.155 ppm2 2.543 CV 1 OR { 2028} (( segid " " and resid 1058 and name HA )) (( segid " " and resid 1058 and name HG2 )) ASSI { 2032} (( segid " " and resid 1050 and name HG2 )) (( segid " " and resid 1050 and name HG3 )) 1.800 0.400 0.400 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.12356E-01 ppm1 2.563 ppm2 2.367 CV 1 OR { 2032} (( segid " " and resid 1058 and name HG2 )) (( segid " " and resid 1058 and name HG3 )) ASSI { 2038} (( segid " " and resid 1058 and name HA )) ( segid " " and resid 1057 and name HG1%) 3.500 1.500 1.500 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.92923E-03 ppm1 4.155 ppm2 0.944 CV 1 OR { 2038} (( segid " " and resid 1058 and name HA )) ( segid " " and resid 1054 and name HD1%) ASSI { 2039} (( segid " " and resid 1058 and name HB3 )) ( segid " " and resid 1054 and name HD1%) 4.600 2.600 1.400 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.51969E-03 ppm1 2.193 ppm2 0.942 CV 1 OR { 2039} (( segid " " and resid 1058 and name HB3 )) ( segid " " and resid 1057 and name HG1%) ASSI { 2040} (( segid " " and resid 1058 and name HG2 )) ( segid " " and resid 1054 and name HD1%) 3.100 1.200 1.200 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.24676E-02 ppm1 2.558 ppm2 0.937 CV 1 OR { 2040} (( segid " " and resid 1058 and name HG2 )) ( segid " " and resid 1057 and name HG1%) ASSI { 2041} (( segid " " and resid 1058 and name HG3 )) ( segid " " and resid 1054 and name HD1%) 2.800 1.000 1.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.26501E-02 ppm1 2.365 ppm2 0.932 CV 1 OR { 2041} (( segid " " and resid 1058 and name HG3 )) ( segid " " and resid 1057 and name HG1%) ASSI { 2042} ( segid " " and resid 1076 and name HD2%) ( segid " " and resid 1071 and name HB% ) 2.800 1.000 1.000 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.28325E-02 ppm1 0.862 ppm2 1.250 CV 1 OR { 2042} ( segid " " and resid 1203 and name HD2%) ( segid " " and resid 1088 and name HG2%) ASSI { 2055} (( segid " " and resid 1198 and name HD3 )) (( segid " " and resid 1198 and name HB2 )) 2.500 0.800 0.800 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.70345E-02 ppm1 3.148 ppm2 1.945 CV 1 OR { 2055} (( segid " " and resid 1198 and name HD2 )) (( segid " " and resid 1198 and name HB2 )) OR { 2055} (( segid " " and resid 1072 and name HD3 )) (( segid " " and resid 1072 and name HB2 )) OR { 2055} (( segid " " and resid 1072 and name HD2 )) (( segid " " and resid 1072 and name HB2 )) ASSI { 2056} (( segid " " and resid 1198 and name HD3 )) (( segid " " and resid 1198 and name HB3 )) 2.400 0.700 0.700 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.95850E-02 ppm1 3.152 ppm2 1.859 CV 1 OR { 2056} (( segid " " and resid 1198 and name HD2 )) (( segid " " and resid 1198 and name HB3 )) OR { 2056} (( segid " " and resid 1184 and name HD3 )) (( segid " " and resid 1184 and name HB2 )) OR { 2056} (( segid " " and resid 1184 and name HD2 )) (( segid " " and resid 1184 and name HB2 )) ASSI { 2060} (( segid " " and resid 1180 and name HA )) (( segid " " and resid 1180 and name HB2 )) 2.200 0.600 0.600 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.97431E-02 ppm1 4.052 ppm2 2.020 CV 1 OR { 2060} (( segid " " and resid 1194 and name HA )) (( segid " " and resid 1194 and name HB3 )) OR { 2060} (( segid " " and resid 1104 and name HA )) (( segid " " and resid 1104 and name HB3 )) ASSI { 2061} (( segid " " and resid 1096 and name HA )) (( segid " " and resid 1096 and name HB3 )) 2.200 0.600 0.600 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.11464E-01 ppm1 4.065 ppm2 1.900 CV 1 OR { 2061} (( segid " " and resid 1096 and name HA )) (( segid " " and resid 1096 and name HB2 )) OR { 2061} (( segid " " and resid 1190 and name HA )) (( segid " " and resid 1190 and name HB2 )) ASSI { 2067} (( segid " " and resid 1196 and name HG )) ( segid " " and resid 1196 and name HD2%) 2.700 0.900 0.900 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.19376E-02 ppm1 1.817 ppm2 0.784 CV 1 OR { 2067} (( segid " " and resid 1196 and name HG )) ( segid " " and resid 1158 and name HG1%) ASSI { 2077} (( segid " " and resid 1194 and name HB2 )) ( segid " " and resid 1195 and name HB% ) 3.400 1.500 1.500 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 2.131 ppm2 1.444 CV 1 OR { 2077} (( segid " " and resid 1183 and name HB2 )) (( segid " " and resid 1184 and name HG3 )) OR { 2077} (( segid " " and resid 1187 and name HB3 )) ( segid " " and resid 1186 and name HB% ) ASSI { 2083} (( segid " " and resid 1089 and name HB2 )) (( segid " " and resid 1089 and name HG2 )) 2.400 0.700 0.700 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.49284E-02 ppm1 2.206 ppm2 2.394 CV 1 OR { 2083} (( segid " " and resid 1187 and name HB2 )) (( segid " " and resid 1187 and name HG3 )) OR { 2083} (( segid " " and resid 1089 and name HB3 )) (( segid " " and resid 1089 and name HG2 )) ASSI { 2084} (( segid " " and resid 1089 and name HB2 )) (( segid " " and resid 1089 and name HG2 )) 2.200 0.600 0.600 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.10432E-01 ppm1 2.129 ppm2 2.393 CV 1 OR { 2084} (( segid " " and resid 1183 and name HB2 )) (( segid " " and resid 1183 and name HG3 )) OR { 2084} (( segid " " and resid 1089 and name HB3 )) (( segid " " and resid 1089 and name HG2 )) OR { 2084} (( segid " " and resid 1187 and name HB3 )) (( segid " " and resid 1187 and name HG3 )) ASSI { 2086} (( segid " " and resid 1187 and name HG2 )) (( segid " " and resid 1187 and name HB3 )) 2.200 0.600 0.600 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.92167E-02 ppm1 2.468 ppm2 2.132 CV 1 OR { 2086} (( segid " " and resid 1065 and name HG2 )) (( segid " " and resid 1065 and name HB3 )) OR { 2086} (( segid " " and resid 1182 and name HG3 )) (( segid " " and resid 1182 and name HB3 )) ASSI { 2087} (( segid " " and resid 1183 and name HG2 )) (( segid " " and resid 1183 and name HB2 )) 2.200 0.600 0.600 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.14772E-01 ppm1 2.412 ppm2 2.136 CV 1 OR { 2087} (( segid " " and resid 1187 and name HG3 )) (( segid " " and resid 1187 and name HB3 )) ASSI { 2089} (( segid " " and resid 1072 and name HA )) (( segid " " and resid 1072 and name H )) 2.300 0.700 0.700 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.86283E-02 ppm1 4.011 ppm2 7.915 CV 1 OR { 2089} (( segid " " and resid 1187 and name HA )) (( segid " " and resid 1187 and name H )) ASSI { 2125} (( segid " " and resid 1096 and name HG2 )) (( segid " " and resid 1096 and name HB3 )) 2.200 0.600 0.600 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.89240E-02 ppm1 1.561 ppm2 1.902 CV 1 OR { 2125} (( segid " " and resid 1171 and name HG2 )) (( segid " " and resid 1171 and name HB2 )) OR { 2125} (( segid " " and resid 1171 and name HG2 )) (( segid " " and resid 1171 and name HB3 )) OR { 2125} (( segid " " and resid 1096 and name HG2 )) (( segid " " and resid 1096 and name HB2 )) ASSI { 2126} (( segid " " and resid 1171 and name HG3 )) (( segid " " and resid 1171 and name HB3 )) 2.200 0.600 0.600 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.89450E-02 ppm1 1.388 ppm2 1.893 CV 1 OR { 2126} (( segid " " and resid 1096 and name HG3 )) (( segid " " and resid 1096 and name HB2 )) OR { 2126} (( segid " " and resid 1171 and name HG3 )) (( segid " " and resid 1171 and name HB2 )) OR { 2126} (( segid " " and resid 1096 and name HG3 )) (( segid " " and resid 1096 and name HB3 )) ASSI { 2129} (( segid " " and resid 1171 and name HE2 )) (( segid " " and resid 1171 and name HG3 )) 2.500 0.800 0.800 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.57406E-02 ppm1 2.846 ppm2 1.382 CV 1 OR { 2129} (( segid " " and resid 1104 and name HE2 )) (( segid " " and resid 1104 and name HG2 )) OR { 2129} (( segid " " and resid 1171 and name HE3 )) (( segid " " and resid 1171 and name HG3 )) OR { 2129} (( segid " " and resid 1104 and name HE3 )) (( segid " " and resid 1104 and name HG2 )) ASSI { 2130} (( segid " " and resid 1171 and name HG3 )) (( segid " " and resid 1171 and name HG2 )) 1.700 0.300 0.500 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.18784E-01 ppm1 1.391 ppm2 1.579 CV 1 OR { 2130} (( segid " " and resid 1096 and name HG3 )) (( segid " " and resid 1096 and name HG2 )) ASSI { 2132} (( segid " " and resid 1171 and name HG2 )) (( segid " " and resid 1171 and name HE3 )) 2.900 1.000 1.000 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.29908E-02 ppm1 1.563 ppm2 2.849 CV 1 OR { 2132} (( segid " " and resid 1170 and name HG2 )) (( segid " " and resid 1170 and name HE2 )) OR { 2132} (( segid " " and resid 1171 and name HG2 )) (( segid " " and resid 1171 and name HE2 )) OR { 2132} (( segid " " and resid 1170 and name HG2 )) (( segid " " and resid 1170 and name HE3 )) ASSI { 2146} (( segid " " and resid 1136 and name HB2 )) ( segid " " and resid 1067 and name HD1%) 3.500 1.600 1.600 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.11805E-02 ppm1 1.970 ppm2 0.736 CV 1 OR { 2146} (( segid " " and resid 1168 and name HB2 )) ( segid " " and resid 1185 and name HD2%) ASSI { 2156} (( segid " " and resid 1099 and name HB3 )) (( segid " " and resid 1098 and name H )) 4.000 2.000 2.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.79848E-03 ppm1 3.872 ppm2 8.638 CV 1 OR { 2156} (( segid " " and resid 1094 and name HB3 )) (( segid " " and resid 1098 and name H )) ASSI { 2158} (( segid " " and resid 1099 and name HB3 )) (( segid " " and resid 1099 and name H )) 2.500 0.800 0.800 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.45188E-02 ppm1 3.876 ppm2 8.278 CV 1 OR { 2158} (( segid " " and resid 1163 and name HB3 )) (( segid " " and resid 1163 and name H )) ASSI { 2159} (( segid " " and resid 1094 and name HB3 )) (( segid " " and resid 1095 and name H )) 3.000 1.100 1.100 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.23403E-02 ppm1 3.883 ppm2 7.966 CV 1 OR { 2159} (( segid " " and resid 1052 and name HB3 )) (( segid " " and resid 1053 and name H )) OR { 2159} (( segid " " and resid 1164 and name HB3 )) (( segid " " and resid 1165 and name H )) OR { 2159} (( segid " " and resid 1164 and name HB2 )) (( segid " " and resid 1165 and name H )) ASSI { 2162} (( segid " " and resid 1094 and name HB3 )) ( segid " " and resid 1131 and name HD2%) 2.800 1.000 1.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.34898E-02 ppm1 3.878 ppm2 0.842 CV 1 OR { 2162} (( segid " " and resid 1099 and name HB3 )) ( segid " " and resid 1196 and name HD1%) ASSI { 2166} (( segid " " and resid 1052 and name HB3 )) ( segid " " and resid 1053 and name HB% ) 3.700 1.700 1.700 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.10945E-02 ppm1 3.883 ppm2 1.359 CV 1 OR { 2166} (( segid " " and resid 1164 and name HB3 )) (( segid " " and resid 1165 and name HB2 )) OR { 2166} (( segid " " and resid 1164 and name HB2 )) (( segid " " and resid 1165 and name HB2 )) ASSI { 2167} (( segid " " and resid 1163 and name HA )) (( segid " " and resid 1163 and name H )) 2.500 0.800 0.800 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.57441E-02 ppm1 3.989 ppm2 8.282 CV 1 OR { 2167} (( segid " " and resid 1130 and name HB2 )) (( segid " " and resid 1131 and name H )) ASSI { 2168} (( segid " " and resid 1130 and name HB2 )) (( segid " " and resid 1128 and name H )) 3.600 1.600 1.600 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.12493E-02 ppm1 3.983 ppm2 8.147 CV 1 OR { 2168} (( segid " " and resid 1094 and name HB2 )) (( segid " " and resid 1128 and name H )) ASSI { 2173} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1165 and name HB3 )) 3.500 1.500 1.500 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 1.348 ppm2 2.286 CV 1 OR { 2173} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1192 and name HB )) ASSI { 2180} ( segid " " and resid 1192 and name HG2%) ( segid " " and resid 1162 and name HB% ) 2.000 0.500 0.500 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.22109E-01 ppm1 0.950 ppm2 1.360 CV 1 OR { 2180} ( segid " " and resid 1057 and name HG1%) ( segid " " and resid 1162 and name HB% ) ASSI { 2184} (( segid " " and resid 1100 and name HB3 )) (( segid " " and resid 1100 and name H )) 2.600 0.800 0.800 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.32971E-02 ppm1 3.913 ppm2 8.155 CV 1 OR { 2184} (( segid " " and resid 1099 and name HB3 )) (( segid " " and resid 1100 and name H )) ASSI { 2188} (( segid " " and resid 1094 and name HB3 )) (( segid " " and resid 1094 and name HA )) 3.000 1.100 1.100 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.13181E-02 ppm1 3.920 ppm2 4.382 CV 1 OR { 2188} (( segid " " and resid 1156 and name HB3 )) (( segid " " and resid 1153 and name HA )) ASSI { 2220} (( segid " " and resid 1125 and name HA )) (( segid " " and resid 1128 and name H )) 3.000 1.100 1.100 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.17690E-02 ppm1 3.776 ppm2 8.125 CV 1 OR { 2220} (( segid " " and resid 1125 and name HA )) (( segid " " and resid 1129 and name H )) ASSI { 2225} ( segid " " and resid 1121 and name HB% ) ( segid " " and resid 1105 and name HD2%) 2.400 0.700 0.700 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.99223E-02 ppm1 1.420 ppm2 0.928 CV 1 OR { 2225} ( segid " " and resid 1146 and name HB% ) ( segid " " and resid 1147 and name HG1%) ASSI { 2268} (( segid " " and resid 1155 and name HA )) ( segid " " and resid 1158 and name HG2%) 2.700 0.900 0.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.29185E-02 ppm1 3.956 ppm2 0.934 CV 1 OR { 2268} (( segid " " and resid 1117 and name HA )) ( segid " " and resid 1105 and name HD2%) ASSI { 2281} ( segid " " and resid 1098 and name HG1%) ( segid " " and resid 1128 and name HD2%) 2.300 0.700 0.700 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.85767E-02 ppm1 1.022 ppm2 0.742 CV 1 OR { 2281} ( segid " " and resid 1098 and name HG1%) ( segid " " and resid 1196 and name HD2%) ASSI { 2290} ( segid " " and resid 1098 and name HG2%) (( segid " " and resid 1098 and name HB )) 2.100 0.500 0.500 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.13033E-01 ppm1 0.857 ppm2 2.039 CV 1 OR { 2290} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1060 and name HG )) ASSI { 2298} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1100 and name H )) 3.600 1.600 1.600 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.91201E-03 ppm1 3.513 ppm2 8.148 CV 1 OR { 2298} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1127 and name H )) ASSI { 2301} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1102 and name H )) 3.900 1.900 1.900 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.58851E-03 ppm1 3.515 ppm2 8.545 CV 1 OR { 2301} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1124 and name H )) ASSI { 2302} ( segid " " and resid 1098 and name HG1%) (( segid " " and resid 1128 and name H )) 2.800 2.800 3.200 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.55101E-02 ppm1 1.022 ppm2 8.139 CV 1 OR { 2302} ( segid " " and resid 1098 and name HG1%) (( segid " " and resid 1127 and name H )) ASSI { 2306} ( segid " " and resid 1098 and name HG2%) (( segid " " and resid 1128 and name H )) 3.000 1.200 1.200 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.32282E-02 ppm1 0.856 ppm2 8.123 CV 1 OR { 2306} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1129 and name H )) ASSI { 2311} (( segid " " and resid 1096 and name HA )) (( segid " " and resid 1096 and name HG3 )) 2.800 1.000 1.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.38339E-02 ppm1 4.068 ppm2 1.408 CV 1 OR { 2311} (( segid " " and resid 1190 and name HA )) ( segid " " and resid 1189 and name HB% ) ASSI { 2314} (( segid " " and resid 1075 and name HE2 )) (( segid " " and resid 1075 and name HD3 )) 1.900 0.400 0.400 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.27495E-01 ppm1 2.911 ppm2 1.606 CV 1 OR { 2314} (( segid " " and resid 1077 and name HE2 )) (( segid " " and resid 1077 and name HD2 )) OR { 2314} (( segid " " and resid 1075 and name HE3 )) (( segid " " and resid 1075 and name HD3 )) OR { 2314} (( segid " " and resid 1077 and name HE3 )) (( segid " " and resid 1077 and name HD2 )) ASSI { 2341} (( segid " " and resid 1095 and name HA )) ( segid " " and resid 1098 and name HG1%) 3.400 1.400 1.400 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 3.861 ppm2 1.023 CV 1 OR { 2341} (( segid " " and resid 1095 and name HA )) ( segid " " and resid 1200 and name HG1%) ASSI { 2343} (( segid " " and resid 1095 and name HB )) ( segid " " and resid 1196 and name HD1%) 3.600 1.700 1.700 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 4.154 ppm2 0.849 CV 1 OR { 2343} (( segid " " and resid 1095 and name HB )) ( segid " " and resid 1131 and name HD2%) ASSI { 2350} (( segid " " and resid 1094 and name HB2 )) (( segid " " and resid 1094 and name HB3 )) 1.700 0.300 0.500 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.23221E-01 ppm1 3.978 ppm2 3.887 CV 1 OR { 2350} (( segid " " and resid 1099 and name HB2 )) (( segid " " and resid 1099 and name HB3 )) OR { 2350} (( segid " " and resid 1130 and name HB2 )) (( segid " " and resid 1130 and name HB3 )) ASSI { 2357} (( segid " " and resid 1092 and name HA2 )) ( segid " " and resid 1131 and name HD2%) 4.000 2.000 2.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.45430E-03 ppm1 4.053 ppm2 0.828 CV 1 OR { 2357} (( segid " " and resid 1092 and name HA2 )) ( segid " " and resid 1091 and name HD2%) ASSI { 2368} (( segid " " and resid 1091 and name HB2 )) (( segid " " and resid 1091 and name H )) 2.700 0.900 0.900 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.18998E-02 ppm1 1.861 ppm2 8.466 CV 1 OR { 2368} (( segid " " and resid 1076 and name HB3 )) (( segid " " and resid 1077 and name H )) ASSI { 2370} (( segid " " and resid 1054 and name HB3 )) (( segid " " and resid 1055 and name H )) 2.700 0.900 0.900 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.30080E-02 ppm1 1.863 ppm2 7.827 CV 1 OR { 2370} (( segid " " and resid 1076 and name HB3 )) (( segid " " and resid 1076 and name H )) ASSI { 2375} ( segid " " and resid 1091 and name HD1%) (( segid " " and resid 1092 and name H )) 3.200 1.300 1.300 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.37135E-02 ppm1 0.822 ppm2 8.060 CV 1 OR { 2375} ( segid " " and resid 1091 and name HD2%) (( segid " " and resid 1092 and name H )) OR { 2375} ( segid " " and resid 1091 and name HD1%) (( segid " " and resid 1134 and name H )) ASSI { 2377} (( segid " " and resid 1077 and name HD3 )) (( segid " " and resid 1077 and name H )) 3.400 1.400 1.400 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.17002E-02 ppm1 1.576 ppm2 8.466 CV 1 OR { 2377} (( segid " " and resid 1091 and name HG )) (( segid " " and resid 1091 and name H )) ASSI { 2384} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name HA )) 3.000 1.100 1.100 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.17415E-02 ppm1 1.722 ppm2 3.849 CV 1 OR { 2384} (( segid " " and resid 1091 and name HB3 )) (( segid " " and resid 1091 and name HA )) ASSI { 2386} ( segid " " and resid 1091 and name HD1%) (( segid " " and resid 1091 and name HA )) 2.100 0.500 0.500 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.13488E-01 ppm1 0.823 ppm2 3.814 CV 1 OR { 2386} ( segid " " and resid 1091 and name HD2%) (( segid " " and resid 1200 and name HA )) ASSI { 2394} ( segid " " and resid 1064 and name HD1%) (( segid " " and resid 1064 and name HB2 )) 2.100 0.500 0.500 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.12448E-01 ppm1 0.830 ppm2 1.856 CV 1 OR { 2394} ( segid " " and resid 1091 and name HD1%) (( segid " " and resid 1091 and name HB2 )) ASSI { 2398} (( segid " " and resid 1091 and name HB3 )) ( segid " " and resid 1091 and name HD1%) 2.700 0.900 0.900 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.38306E-02 ppm1 1.687 ppm2 0.844 CV 1 OR { 2398} (( segid " " and resid 1048 and name HB2 )) ( segid " " and resid 1048 and name HD1%) ASSI { 2401} (( segid " " and resid 1089 and name HA )) (( segid " " and resid 1089 and name H )) 2.500 0.800 0.800 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.56374E-02 ppm1 4.021 ppm2 7.529 CV 1 OR { 2401} (( segid " " and resid 1072 and name HA )) (( segid " " and resid 1073 and name H )) ASSI { 2411} ( segid " " and resid 1095 and name HG2%) (( segid " " and resid 1095 and name HB )) 2.000 0.500 0.500 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.12848E-01 ppm1 1.248 ppm2 4.139 CV 1 OR { 2411} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1088 and name HB )) ASSI { 2425} (( segid " " and resid 1087 and name HB2 )) (( segid " " and resid 1087 and name HA )) 3.100 1.200 1.200 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 3.374 ppm2 4.136 CV 1 OR { 2425} (( segid " " and resid 1087 and name HB2 )) (( segid " " and resid 1084 and name HA )) ASSI { 2446} (( segid " " and resid 1136 and name HB3 )) (( segid " " and resid 1136 and name HB2 )) 1.800 0.400 0.400 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.15050E-01 ppm1 1.834 ppm2 1.971 CV 1 OR { 2446} (( segid " " and resid 1085 and name HB2 )) (( segid " " and resid 1085 and name HB3 )) ASSI { 2447} (( segid " " and resid 1180 and name HB2 )) (( segid " " and resid 1180 and name HG2 )) 2.500 0.800 0.800 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.73237E-02 ppm1 2.005 ppm2 2.250 CV 1 OR { 2447} (( segid " " and resid 1049 and name HB3 )) (( segid " " and resid 1049 and name HG2 )) OR { 2447} (( segid " " and resid 1085 and name HB3 )) (( segid " " and resid 1085 and name HG3 )) ASSI { 2448} (( segid " " and resid 1170 and name HA )) (( segid " " and resid 1170 and name HB3 )) 2.400 0.700 0.700 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.69589E-02 ppm1 3.869 ppm2 1.964 CV 1 OR { 2448} (( segid " " and resid 1085 and name HA )) (( segid " " and resid 1085 and name HB3 )) ASSI { 2449} (( segid " " and resid 1085 and name HA )) (( segid " " and resid 1085 and name HB2 )) 2.300 0.700 0.700 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.74578E-02 ppm1 3.869 ppm2 1.838 CV 1 OR { 2449} (( segid " " and resid 1170 and name HA )) (( segid " " and resid 1170 and name HB2 )) ASSI { 2475} (( segid " " and resid 1079 and name HG )) ( segid " " and resid 1079 and name HD1%) 2.200 0.600 0.600 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.97021E-02 ppm1 1.594 ppm2 0.792 CV 1 OR { 2475} (( segid " " and resid 1079 and name HG )) ( segid " " and resid 1079 and name HD2%) OR { 2475} (( segid " " and resid 1048 and name HG )) ( segid " " and resid 1048 and name HD2%) ASSI { 2524} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1076 and name HG )) 2.200 0.600 0.600 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.11041E-01 ppm1 0.737 ppm2 1.185 CV 1 OR { 2524} ( segid " " and resid 1076 and name HD1%) ( segid " " and resid 1140 and name HB% ) ASSI { 2551} (( segid " " and resid 1076 and name HG )) (( segid " " and resid 1071 and name H )) 4.000 2.000 2.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.46118E-03 ppm1 1.190 ppm2 8.589 CV 1 OR { 2551} (( segid " " and resid 1076 and name HG )) (( segid " " and resid 1140 and name H )) ASSI { 2556} (( segid " " and resid 1075 and name HB2 )) (( segid " " and resid 1076 and name H )) 3.500 1.500 1.500 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.66767E-03 ppm1 1.468 ppm2 7.826 CV 1 OR { 2556} (( segid " " and resid 1075 and name HB2 )) (( segid " " and resid 1074 and name H )) ASSI { 2561} (( segid " " and resid 1075 and name HG3 )) (( segid " " and resid 1074 and name H )) 4.500 2.500 1.500 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.61603E-03 ppm1 1.305 ppm2 7.827 CV 1 OR { 2561} (( segid " " and resid 1075 and name HG3 )) (( segid " " and resid 1076 and name H )) ASSI { 2562} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1074 and name H )) 3.700 1.700 1.700 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.64700E-03 ppm1 1.210 ppm2 7.827 CV 1 OR { 2562} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1076 and name H )) ASSI { 2570} (( segid " " and resid 1086 and name HE2 )) (( segid " " and resid 1086 and name HA )) 3.200 1.300 1.300 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.29598E-02 ppm1 2.920 ppm2 4.008 CV 1 OR { 2570} (( segid " " and resid 1161 and name HE3 )) (( segid " " and resid 1161 and name HA )) OR { 2570} (( segid " " and resid 1161 and name HE2 )) (( segid " " and resid 1161 and name HA )) ASSI { 2589} (( segid " " and resid 1075 and name HB2 )) (( segid " " and resid 1075 and name HG3 )) 2.500 0.800 0.800 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.28256E-02 ppm1 1.475 ppm2 1.309 CV 1 OR { 2589} (( segid " " and resid 1075 and name HB2 )) ( segid " " and resid 1070 and name HB% ) ASSI { 2614} (( segid " " and resid 1073 and name HB3 )) (( segid " " and resid 1075 and name HG3 )) 3.300 1.300 1.300 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 2.771 ppm2 1.298 CV 1 OR { 2614} (( segid " " and resid 1073 and name HB3 )) ( segid " " and resid 1070 and name HB% ) ASSI { 2615} (( segid " " and resid 1073 and name HB2 )) (( segid " " and resid 1075 and name HG3 )) 3.600 1.600 1.600 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 2.503 ppm2 1.308 CV 1 OR { 2615} (( segid " " and resid 1073 and name HB2 )) ( segid " " and resid 1070 and name HB% ) ASSI { 2617} (( segid " " and resid 1198 and name HB2 )) (( segid " " and resid 1198 and name HG3 )) 2.700 0.900 0.900 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.25021E-02 ppm1 1.954 ppm2 1.552 CV 1 OR { 2617} (( segid " " and resid 1072 and name HB2 )) (( segid " " and resid 1072 and name HG2 )) ASSI { 2624} (( segid " " and resid 1072 and name HD3 )) (( segid " " and resid 1072 and name HA )) 2.600 0.900 0.900 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.59507E-02 ppm1 3.157 ppm2 3.992 CV 1 OR { 2624} (( segid " " and resid 1184 and name HD3 )) (( segid " " and resid 1184 and name HA )) OR { 2624} (( segid " " and resid 1184 and name HD2 )) (( segid " " and resid 1184 and name HA )) OR { 2624} (( segid " " and resid 1072 and name HD2 )) (( segid " " and resid 1072 and name HA )) ASSI { 2638} (( segid " " and resid 1072 and name HG2 )) (( segid " " and resid 1073 and name H )) 3.800 1.800 1.800 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 1.562 ppm2 7.523 CV 1 OR { 2638} (( segid " " and resid 1141 and name HG )) (( segid " " and resid 1142 and name H )) ASSI { 2642} (( segid " " and resid 1071 and name HA )) (( segid " " and resid 1076 and name H )) 2.800 0.900 0.900 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.29322E-02 ppm1 4.017 ppm2 7.827 CV 1 OR { 2642} (( segid " " and resid 1071 and name HA )) (( segid " " and resid 1074 and name H )) ASSI { 2644} ( segid " " and resid 1071 and name HB% ) (( segid " " and resid 1068 and name H )) 3.600 1.600 1.600 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.68489E-03 ppm1 1.263 ppm2 8.477 CV 1 OR { 2644} ( segid " " and resid 1071 and name HB% ) (( segid " " and resid 1077 and name H )) ASSI { 2646} ( segid " " and resid 1071 and name HB% ) (( segid " " and resid 1076 and name H )) 3.400 1.400 1.400 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.21751E-02 ppm1 1.263 ppm2 7.824 CV 1 OR { 2646} ( segid " " and resid 1071 and name HB% ) (( segid " " and resid 1074 and name H )) ASSI { 2664} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1069 and name H )) 3.300 1.300 1.300 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.33935E-02 ppm1 1.310 ppm2 7.532 CV 1 OR { 2664} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1073 and name H )) ASSI { 2692} (( segid " " and resid 1067 and name HB )) (( segid " " and resid 1068 and name HB2 )) 3.800 1.800 1.800 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.74338E-03 ppm1 2.018 ppm2 1.829 CV 1 OR { 2692} (( segid " " and resid 1067 and name HB )) (( segid " " and resid 1136 and name HB3 )) OR { 2692} (( segid " " and resid 1067 and name HB )) (( segid " " and resid 1068 and name HB3 )) ASSI { 2695} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1067 and name HG12)) 2.100 0.600 0.600 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.12046E-01 ppm1 0.724 ppm2 1.672 CV 1 OR { 2695} ( segid " " and resid 1109 and name HD1%) (( segid " " and resid 1109 and name HG13)) ASSI { 2717} (( segid " " and resid 1061 and name HB3 )) (( segid " " and resid 1061 and name HB2 )) 1.700 0.300 0.500 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.22361E-01 ppm1 2.113 ppm2 2.205 CV 1 OR { 2717} (( segid " " and resid 1066 and name HB3 )) (( segid " " and resid 1066 and name HB2 )) ASSI { 2754} (( segid " " and resid 1065 and name HG2 )) (( segid " " and resid 1064 and name HB3 )) 3.700 1.700 1.700 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.93959E-03 ppm1 2.519 ppm2 1.590 CV 1 OR { 2754} (( segid " " and resid 1065 and name HG3 )) (( segid " " and resid 1064 and name HB3 )) OR { 2754} (( segid " " and resid 1065 and name HG2 )) (( segid " " and resid 1068 and name HD2 )) OR { 2754} (( segid " " and resid 1065 and name HG2 )) (( segid " " and resid 1068 and name HD3 )) ASSI { 2783} ( segid " " and resid 1064 and name HD1%) (( segid " " and resid 1065 and name H )) 3.300 1.400 1.400 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.25881E-02 ppm1 0.833 ppm2 7.858 CV 1 OR { 2783} ( segid " " and resid 1091 and name HD1%) (( segid " " and resid 1136 and name H )) OR { 2783} ( segid " " and resid 1091 and name HD2%) (( segid " " and resid 1201 and name H )) ASSI { 2784} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1136 and name H )) 3.200 1.300 1.300 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.23885E-02 ppm1 0.803 ppm2 7.860 CV 1 OR { 2784} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1065 and name H )) ASSI { 2798} (( segid " " and resid 1063 and name HB2 )) ( segid " " and resid 1067 and name HD1%) 4.000 2.000 2.000 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.96365E-03 ppm1 2.531 ppm2 0.735 CV 1 OR { 2798} (( segid " " and resid 1123 and name HB3 )) ( segid " " and resid 1124 and name HG2%) ASSI { 2802} (( segid " " and resid 1096 and name HG2 )) (( segid " " and resid 1093 and name HA )) 3.600 1.600 1.600 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 1.571 ppm2 4.481 CV 1 OR { 2802} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1059 and name HA )) ASSI { 2807} (( segid " " and resid 1085 and name HA )) (( segid " " and resid 1084 and name HA )) 3.300 1.400 1.400 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.19652E-02 ppm1 3.870 ppm2 4.139 CV 1 OR { 2807} (( segid " " and resid 1085 and name HA )) (( segid " " and resid 1088 and name HB )) ASSI { 2812} (( segid " " and resid 1085 and name HG2 )) (( segid " " and resid 1085 and name HA )) 2.500 0.800 0.800 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.77986E-02 ppm1 2.184 ppm2 3.853 CV 1 OR { 2812} (( segid " " and resid 1061 and name HG3 )) (( segid " " and resid 1061 and name HA )) ASSI { 2830} ( segid " " and resid 1060 and name HD1%) (( segid " " and resid 1060 and name HG )) 2.400 0.700 0.700 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.54619E-02 ppm1 0.680 ppm2 2.021 CV 1 OR { 2830} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1084 and name HB3 )) ASSI { 2881} (( segid " " and resid 1057 and name HB )) ( segid " " and resid 1166 and name HD1%) 3.800 1.800 1.800 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.74338E-03 ppm1 2.153 ppm2 0.676 CV 1 OR { 2881} (( segid " " and resid 1057 and name HB )) ( segid " " and resid 1060 and name HD1%) ASSI { 2902} (( segid " " and resid 1055 and name HA )) (( segid " " and resid 1055 and name H )) 2.600 0.900 0.900 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.37376E-02 ppm1 4.192 ppm2 7.824 CV 1 OR { 2902} (( segid " " and resid 1100 and name HA )) (( segid " " and resid 1101 and name H )) ASSI { 2907} (( segid " " and resid 1100 and name HB3 )) (( segid " " and resid 1100 and name HA )) 2.100 0.600 0.600 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.13756E-01 ppm1 3.950 ppm2 4.192 CV 1 OR { 2907} (( segid " " and resid 1055 and name HB2 )) (( segid " " and resid 1055 and name HA )) OR { 2907} (( segid " " and resid 1052 and name HB2 )) (( segid " " and resid 1052 and name HA )) OR { 2907} (( segid " " and resid 1055 and name HB3 )) (( segid " " and resid 1055 and name HA )) ASSI { 2913} (( segid " " and resid 1164 and name HB3 )) ( segid " " and resid 1188 and name HG2%) 2.900 1.100 1.100 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 3.893 ppm2 0.932 CV 1 OR { 2913} (( segid " " and resid 1163 and name HB3 )) ( segid " " and resid 1057 and name HG1%) OR { 2913} (( segid " " and resid 1164 and name HB2 )) ( segid " " and resid 1188 and name HG2%) ASSI { 2915} (( segid " " and resid 1054 and name HB2 )) ( segid " " and resid 1054 and name HD2%) 2.600 0.800 0.800 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.50351E-02 ppm1 1.581 ppm2 0.873 CV 1 OR { 2915} (( segid " " and resid 1048 and name HB3 )) ( segid " " and resid 1048 and name HD1%) ASSI { 2916} (( segid " " and resid 1054 and name HA )) ( segid " " and resid 1054 and name HD1%) 2.300 0.700 0.700 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.72757E-02 ppm1 3.900 ppm2 0.940 CV 1 OR { 2916} (( segid " " and resid 1054 and name HA )) ( segid " " and resid 1166 and name HG2%) ASSI { 2925} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1166 and name HB )) 2.400 0.700 0.700 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.79848E-02 ppm1 0.941 ppm2 1.890 CV 1 OR { 2925} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1054 and name HB3 )) ASSI { 2930} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1167 and name HG2 )) 2.600 0.800 0.800 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.46841E-02 ppm1 0.940 ppm2 2.352 CV 1 OR { 2930} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1058 and name HG3 )) ASSI { 2931} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1167 and name HG3 )) 2.300 0.700 0.700 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.56787E-02 ppm1 0.939 ppm2 2.160 CV 1 OR { 2931} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1057 and name HB )) ASSI { 2932} (( segid " " and resid 1054 and name HG )) (( segid " " and resid 1058 and name HG3 )) 3.400 1.400 1.400 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.78126E-03 ppm1 1.499 ppm2 2.351 CV 1 OR { 2932} (( segid " " and resid 1054 and name HG )) (( segid " " and resid 1167 and name HG2 )) ASSI { 2960} (( segid " " and resid 1130 and name HB3 )) (( segid " " and resid 1130 and name HA )) 2.500 0.800 0.800 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.65186E-02 ppm1 3.874 ppm2 4.181 CV 1 OR { 2960} (( segid " " and resid 1052 and name HB3 )) (( segid " " and resid 1052 and name HA )) ASSI { 3016} ( segid " " and resid 1101 and name HB% ) (( segid " " and resid 1102 and name H )) 2.300 0.700 0.700 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.56305E-02 ppm1 1.487 ppm2 8.542 CV 1 OR { 3016} ( segid " " and resid 1101 and name HB% ) (( segid " " and resid 1124 and name H )) ASSI { 3023} (( segid " " and resid 1101 and name HA )) (( segid " " and resid 1102 and name H )) 3.500 1.500 1.500 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 4.223 ppm2 8.541 CV 1 OR { 3023} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1124 and name H )) ASSI { 3028} (( segid " " and resid 1102 and name HG13)) (( segid " " and resid 1102 and name H )) 3.500 1.500 1.500 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 2.005 ppm2 8.541 CV 1 OR { 3028} (( segid " " and resid 1114 and name HB2 )) (( segid " " and resid 1115 and name H )) ASSI { 3033} (( segid " " and resid 1170 and name HD3 )) (( segid " " and resid 1170 and name HE3 )) 2.700 0.900 0.900 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 1.537 ppm2 2.842 CV 1 OR { 3033} (( segid " " and resid 1104 and name HD3 )) (( segid " " and resid 1104 and name HE2 )) OR { 3033} (( segid " " and resid 1170 and name HD2 )) (( segid " " and resid 1170 and name HE2 )) OR { 3033} (( segid " " and resid 1170 and name HD2 )) (( segid " " and resid 1170 and name HE3 )) OR { 3033} (( segid " " and resid 1170 and name HD3 )) (( segid " " and resid 1170 and name HE2 )) ASSI { 3056} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1121 and name HA )) 2.700 0.900 0.900 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.46496E-02 ppm1 0.688 ppm2 3.744 CV 1 OR { 3056} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1105 and name HA )) ASSI { 3060} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1102 and name H )) 3.700 1.700 1.700 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 0.689 ppm2 8.536 CV 1 OR { 3060} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1124 and name H )) ASSI { 3065} (( segid " " and resid 1116 and name HB3 )) (( segid " " and resid 1117 and name H )) 3.900 1.900 1.900 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.50936E-03 ppm1 2.815 ppm2 8.516 CV 1 OR { 3065} (( segid " " and resid 1116 and name HB3 )) (( segid " " and resid 1115 and name H )) ASSI { 3130} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1142 and name H )) 2.800 2.800 3.200 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 0.639 ppm2 7.540 CV 1 OR { 3130} ( segid " " and resid 1152 and name HD1%) (( segid " " and resid 1069 and name H )) ASSI { 3134} (( segid " " and resid 1196 and name HG )) (( segid " " and resid 1196 and name HB3 )) 3.300 1.400 1.400 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.13456E-02 ppm1 1.818 ppm2 1.302 CV 1 OR { 3134} (( segid " " and resid 1152 and name HG )) ( segid " " and resid 1139 and name HB% ) OR { 3134} (( segid " " and resid 1196 and name HG )) ( segid " " and resid 1095 and name HG2%) ASSI { 3150} (( segid " " and resid 1183 and name HA )) (( segid " " and resid 1183 and name H )) 2.600 0.900 0.900 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.39028E-02 ppm1 4.055 ppm2 8.038 CV 1 OR { 3150} (( segid " " and resid 1183 and name HA )) (( segid " " and resid 1184 and name H )) ASSI { 3168} (( segid " " and resid 1141 and name HG )) (( segid " " and resid 1141 and name HA )) 2.800 1.000 1.000 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.27464E-02 ppm1 1.600 ppm2 4.224 CV 1 OR { 3168} (( segid " " and resid 1048 and name HG )) (( segid " " and resid 1048 and name HA )) ASSI { 3170} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1064 and name HG )) 2.200 0.600 0.600 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.10617E-01 ppm1 0.807 ppm2 1.693 CV 1 OR { 3170} ( segid " " and resid 1106 and name HD1%) (( segid " " and resid 1106 and name HB3 )) OR { 3170} ( segid " " and resid 1048 and name HD2%) (( segid " " and resid 1048 and name HB2 )) ASSI { 4} (( segid " " and resid 1202 and name H )) ( segid " " and resid 1150 and name HG2%) 4.100 2.100 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.86962E-03 ppm1 7.427 ppm2 1.019 CV 1 OR { 4} (( segid " " and resid 1202 and name H )) ( segid " " and resid 1200 and name HG1%) ASSI { 33} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1206 and name HG3 )) 3.200 1.300 1.300 peak 33 spectrum 1 weight 0.10000E+01 volume 0.26171E-02 ppm1 8.085 ppm2 2.240 CV 1 OR { 33} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1204 and name HB3 )) ASSI { 81} (( segid " " and resid 1053 and name H )) (( segid " " and resid 1053 and name HA )) 2.600 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.40354E-02 ppm1 7.982 ppm2 3.956 CV 1 OR { 81} (( segid " " and resid 1053 and name H )) (( segid " " and resid 1050 and name HA )) ASSI { 92} (( segid " " and resid 1054 and name H )) ( segid " " and resid 1166 and name HG2%) 3.200 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.21906E-02 ppm1 7.977 ppm2 0.927 CV 1 OR { 92} (( segid " " and resid 1054 and name H )) ( segid " " and resid 1054 and name HD1%) ASSI { 93} (( segid " " and resid 1055 and name H )) ( segid " " and resid 1054 and name HD1%) 3.800 1.800 1.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11367E-02 ppm1 7.820 ppm2 0.937 CV 1 OR { 93} (( segid " " and resid 1055 and name H )) ( segid " " and resid 1056 and name HG1%) OR { 93} (( segid " " and resid 1055 and name H )) ( segid " " and resid 1057 and name HG2%) ASSI { 110} (( segid " " and resid 1057 and name H )) ( segid " " and resid 1060 and name HD1%) 3.800 1.800 1.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 8.033 ppm2 0.673 CV 1 OR { 110} (( segid " " and resid 1057 and name H )) ( segid " " and resid 1166 and name HD1%) ASSI { 160} (( segid " " and resid 1167 and name H )) ( segid " " and resid 1054 and name HD1%) 3.500 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 8.226 ppm2 0.953 CV 1 OR { 160} (( segid " " and resid 1061 and name H )) ( segid " " and resid 1057 and name HG1%) ASSI { 161} (( segid " " and resid 1061 and name H )) ( segid " " and resid 1159 and name HD1%) 3.800 1.800 1.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15218E-02 ppm1 8.222 ppm2 0.864 CV 1 OR { 161} (( segid " " and resid 1061 and name H )) ( segid " " and resid 1060 and name HD2%) ASSI { 167} (( segid " " and resid 1061 and name H )) (( segid " " and resid 1060 and name HA )) 3.200 1.300 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16005E-02 ppm1 8.221 ppm2 4.147 CV 1 OR { 167} (( segid " " and resid 1061 and name H )) (( segid " " and resid 1058 and name HA )) ASSI { 195} (( segid " " and resid 1064 and name H )) (( segid " " and resid 1064 and name HA )) 2.900 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.18614E-02 ppm1 8.411 ppm2 4.023 CV 1 OR { 195} (( segid " " and resid 1049 and name H )) (( segid " " and resid 1049 and name HA )) ASSI { 203} (( segid " " and resid 1064 and name H )) ( segid " " and resid 1064 and name HD2%) 2.900 1.000 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.42672E-02 ppm1 8.415 ppm2 0.831 CV 1 OR { 203} (( segid " " and resid 1139 and name H )) ( segid " " and resid 1151 and name HG2%) ASSI { 204} (( segid " " and resid 1139 and name H )) ( segid " " and resid 1138 and name HG1%) 3.100 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 8.419 ppm2 0.751 CV 1 OR { 204} (( segid " " and resid 1064 and name H )) ( segid " " and resid 1067 and name HD1%) ASSI { 214} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1063 and name H )) 3.500 1.600 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.91722E-03 ppm1 7.849 ppm2 8.286 CV 1 OR { 214} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1067 and name H )) ASSI { 222} (( segid " " and resid 1066 and name H )) (( segid " " and resid 1066 and name HB3 )) 3.200 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.33376E-02 ppm1 7.687 ppm2 2.126 CV 1 OR { 222} (( segid " " and resid 1066 and name H )) (( segid " " and resid 1065 and name HB3 )) ASSI { 273} (( segid " " and resid 1071 and name H )) ( segid " " and resid 1067 and name HG2%) 3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.18386E-02 ppm1 8.602 ppm2 0.883 CV 1 OR { 273} (( segid " " and resid 1071 and name H )) ( segid " " and resid 1076 and name HD2%) OR { 273} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1076 and name HB2 )) ASSI { 277} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1069 and name H )) 3.600 1.600 1.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.99176E-03 ppm1 8.601 ppm2 7.528 CV 1 OR { 277} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1073 and name H )) ASSI { 278} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1072 and name H )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.53045E-02 ppm1 8.602 ppm2 7.926 CV 1 OR { 278} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1070 and name H )) ASSI { 288} (( segid " " and resid 1072 and name H )) (( segid " " and resid 1072 and name HG3 )) 3.800 1.800 1.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.16626E-02 ppm1 7.918 ppm2 1.768 CV 1 OR { 288} (( segid " " and resid 1122 and name H )) (( segid " " and resid 1122 and name HG2 )) ASSI { 295} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1072 and name HA )) 2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.57000E-02 ppm1 7.520 ppm2 4.014 CV 1 OR { 295} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1070 and name HA )) ASSI { 318} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1074 and name HA2 )) 2.500 0.800 0.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.45509E-02 ppm1 8.278 ppm2 4.009 CV 1 OR { 318} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1071 and name HA )) ASSI { 320} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1074 and name H )) 2.500 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.38573E-02 ppm1 8.277 ppm2 7.825 CV 1 OR { 320} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1076 and name H )) ASSI { 333} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1076 and name HG )) 3.200 1.300 1.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.16771E-02 ppm1 7.831 ppm2 1.194 CV 1 OR { 333} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1075 and name HG2 )) ASSI { 340} (( segid " " and resid 1077 and name H )) ( segid " " and resid 1140 and name HB% ) 3.400 1.400 1.400 peak 340 spectrum 1 weight 0.10000E+01 volume 0.14700E-02 ppm1 8.468 ppm2 1.187 CV 1 OR { 340} (( segid " " and resid 1077 and name H )) (( segid " " and resid 1076 and name HG )) ASSI { 424} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1087 and name HA )) 2.700 0.900 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.28697E-02 ppm1 8.670 ppm2 4.142 CV 1 OR { 424} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1084 and name HA )) ASSI { 434} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1087 and name HA )) 2.900 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.32858E-02 ppm1 8.378 ppm2 4.142 CV 1 OR { 434} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1088 and name HB )) ASSI { 490} (( segid " " and resid 1092 and name H )) (( segid " " and resid 1091 and name HG )) 4.000 2.000 2.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.68945E-03 ppm1 8.064 ppm2 1.554 CV 1 OR { 490} (( segid " " and resid 1092 and name H )) ( segid " " and resid 1134 and name HB% ) ASSI { 495} (( segid " " and resid 1093 and name H )) ( segid " " and resid 1131 and name HD2%) 4.300 2.300 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.53832E-03 ppm1 8.806 ppm2 0.833 CV 1 OR { 495} (( segid " " and resid 1093 and name H )) ( segid " " and resid 1091 and name HD2%) ASSI { 496} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1091 and name HB2 )) 4.700 2.700 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.43480E-03 ppm1 8.808 ppm2 1.882 CV 1 OR { 496} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1096 and name HB2 )) ASSI { 514} (( segid " " and resid 1140 and name H )) (( segid " " and resid 1137 and name HA3 )) 3.800 1.800 1.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.65637E-03 ppm1 8.579 ppm2 4.230 CV 1 OR { 514} (( segid " " and resid 1102 and name H )) (( segid " " and resid 1101 and name HA )) ASSI { 532} (( segid " " and resid 1102 and name H )) ( segid " " and resid 1098 and name HG2%) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.26171E-02 ppm1 8.574 ppm2 0.837 CV 1 OR { 532} (( segid " " and resid 1094 and name H )) ( segid " " and resid 1131 and name HD2%) ASSI { 536} (( segid " " and resid 1140 and name H )) ( segid " " and resid 1141 and name HD1%) 4.300 2.300 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.55696E-03 ppm1 8.579 ppm2 0.648 CV 1 OR { 536} (( segid " " and resid 1140 and name H )) ( segid " " and resid 1152 and name HD1%) ASSI { 538} (( segid " " and resid 1095 and name H )) ( segid " " and resid 1200 and name HG1%) 4.000 2.000 2.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.67083E-03 ppm1 7.977 ppm2 1.014 CV 1 OR { 538} (( segid " " and resid 1095 and name H )) ( segid " " and resid 1098 and name HG1%) ASSI { 542} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1096 and name HG2 )) 4.400 2.400 1.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.45551E-03 ppm1 7.976 ppm2 1.582 CV 1 OR { 542} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1131 and name HG )) ASSI { 549} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1095 and name HA )) 2.800 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.27434E-02 ppm1 7.977 ppm2 3.863 CV 1 OR { 549} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1094 and name HB3 )) ASSI { 564} (( segid " " and resid 1096 and name H )) ( segid " " and resid 1196 and name HD1%) 4.300 2.300 1.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.44101E-03 ppm1 7.223 ppm2 0.837 CV 1 OR { 564} (( segid " " and resid 1096 and name H )) ( segid " " and resid 1131 and name HD2%) ASSI { 567} (( segid " " and resid 1103 and name H )) ( segid " " and resid 1189 and name HB% ) 3.700 1.700 1.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.11284E-02 ppm1 7.475 ppm2 1.410 CV 1 OR { 567} (( segid " " and resid 1191 and name H )) (( segid " " and resid 1161 and name HG2 )) ASSI { 589} (( segid " " and resid 1099 and name H )) ( segid " " and resid 1097 and name HB% ) 3.400 1.400 1.400 peak 589 spectrum 1 weight 0.10000E+01 volume 0.88824E-03 ppm1 8.276 ppm2 1.496 CV 1 OR { 589} (( segid " " and resid 1099 and name H )) ( segid " " and resid 1101 and name HB% ) ASSI { 591} (( segid " " and resid 1099 and name H )) ( segid " " and resid 1196 and name HD1%) 2.800 1.000 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.33935E-02 ppm1 8.275 ppm2 0.847 CV 1 OR { 591} (( segid " " and resid 1099 and name H )) ( segid " " and resid 1098 and name HG2%) ASSI { 600} (( segid " " and resid 1100 and name H )) (( segid " " and resid 1100 and name HB2 )) 3.300 1.400 1.400 peak 600 spectrum 1 weight 0.10000E+01 volume 0.80545E-03 ppm1 8.140 ppm2 3.884 CV 1 OR { 600} (( segid " " and resid 1100 and name H )) (( segid " " and resid 1099 and name HB3 )) ASSI { 608} (( segid " " and resid 1117 and name H )) (( segid " " and resid 1116 and name HA )) 3.600 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.59425E-03 ppm1 8.500 ppm2 4.400 CV 1 OR { 608} (( segid " " and resid 1117 and name H )) (( segid " " and resid 1115 and name HA )) ASSI { 612} (( segid " " and resid 1124 and name H )) ( segid " " and resid 1101 and name HB% ) 3.800 1.800 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.48656E-03 ppm1 8.499 ppm2 1.476 CV 1 OR { 612} (( segid " " and resid 1124 and name H )) ( segid " " and resid 1125 and name HB% ) ASSI { 615} (( segid " " and resid 1124 and name H )) ( segid " " and resid 1105 and name HD2%) 3.900 1.900 1.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.46172E-03 ppm1 8.503 ppm2 0.920 CV 1 OR { 615} (( segid " " and resid 1117 and name H )) ( segid " " and resid 1105 and name HD2%) ASSI { 645} (( segid " " and resid 1121 and name H )) (( segid " " and resid 1117 and name HA )) 4.000 2.000 2.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.51969E-03 ppm1 8.298 ppm2 3.964 CV 1 OR { 645} (( segid " " and resid 1121 and name H )) (( segid " " and resid 1050 and name HA )) ASSI { 647} (( segid " " and resid 1121 and name H )) (( segid " " and resid 1118 and name HA2 )) 3.700 1.700 1.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.49899E-03 ppm1 8.299 ppm2 3.557 CV 1 OR { 647} (( segid " " and resid 1121 and name H )) (( segid " " and resid 1119 and name HA )) ASSI { 654} (( segid " " and resid 1122 and name H )) (( segid " " and resid 1122 and name HG3 )) 3.300 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.20726E-02 ppm1 7.935 ppm2 1.483 CV 1 OR { 654} (( segid " " and resid 1122 and name H )) ( segid " " and resid 1125 and name HB% ) ASSI { 673} (( segid " " and resid 1123 and name H )) ( segid " " and resid 1101 and name HB% ) 3.400 1.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.14576E-02 ppm1 8.140 ppm2 1.484 CV 1 OR { 673} (( segid " " and resid 1123 and name H )) ( segid " " and resid 1125 and name HB% ) ASSI { 678} (( segid " " and resid 1124 and name H )) ( segid " " and resid 1105 and name HD1%) 4.300 2.300 1.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.69156E-03 ppm1 8.539 ppm2 0.678 CV 1 OR { 678} (( segid " " and resid 1117 and name H )) ( segid " " and resid 1119 and name HD1%) OR { 678} (( segid " " and resid 1124 and name H )) ( segid " " and resid 1166 and name HD1%) ASSI { 687} (( segid " " and resid 1124 and name H )) (( segid " " and resid 1125 and name H )) 2.900 1.100 1.100 peak 687 spectrum 1 weight 0.10000E+01 volume 0.16564E-02 ppm1 8.539 ppm2 7.962 CV 1 OR { 687} (( segid " " and resid 1117 and name H )) (( segid " " and resid 1118 and name H )) ASSI { 690} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1127 and name H )) 3.600 1.600 1.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.78677E-03 ppm1 7.965 ppm2 8.143 CV 1 OR { 690} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1123 and name H )) ASSI { 691} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1126 and name HA3 )) 4.500 2.600 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.50313E-03 ppm1 7.964 ppm2 3.974 CV 1 OR { 691} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1053 and name HA )) ASSI { 701} (( segid " " and resid 1125 and name H )) ( segid " " and resid 1128 and name HD1%) 3.200 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.11926E-02 ppm1 7.964 ppm2 0.670 CV 1 OR { 701} (( segid " " and resid 1125 and name H )) ( segid " " and resid 1166 and name HD1%) ASSI { 715} (( segid " " and resid 1127 and name H )) ( segid " " and resid 1125 and name HB% ) 3.400 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.98760E-03 ppm1 8.157 ppm2 1.490 CV 1 OR { 715} (( segid " " and resid 1127 and name H )) ( segid " " and resid 1097 and name HB% ) ASSI { 746} (( segid " " and resid 1130 and name H )) ( segid " " and resid 1060 and name HD2%) 4.300 2.300 1.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.72880E-03 ppm1 7.401 ppm2 0.852 CV 1 OR { 746} (( segid " " and resid 1130 and name H )) ( segid " " and resid 1131 and name HD2%) ASSI { 755} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1129 and name H )) 3.900 1.900 1.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.47828E-03 ppm1 8.297 ppm2 8.135 CV 1 OR { 755} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1128 and name H )) ASSI { 759} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1131 and name HA )) 2.700 0.900 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.31492E-02 ppm1 8.299 ppm2 3.982 CV 1 OR { 759} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1130 and name HB2 )) ASSI { 760} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1130 and name HB3 )) 3.100 1.200 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13686E-02 ppm1 8.298 ppm2 3.892 CV 1 OR { 760} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1094 and name HB3 )) ASSI { 767} (( segid " " and resid 1132 and name H )) ( segid " " and resid 1131 and name HD2%) 3.500 1.600 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.21057E-02 ppm1 8.723 ppm2 0.845 CV 1 OR { 767} (( segid " " and resid 1132 and name H )) ( segid " " and resid 1064 and name HD1%) ASSI { 810} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1133 and name HA )) 3.000 1.200 1.200 peak 810 spectrum 1 weight 0.10000E+01 volume 0.17268E-02 ppm1 8.071 ppm2 3.942 CV 1 OR { 810} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1131 and name HA )) ASSI { 819} (( segid " " and resid 1135 and name H )) (( segid " " and resid 1133 and name HA )) 3.700 1.700 1.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.56317E-03 ppm1 8.811 ppm2 3.953 CV 1 OR { 819} (( segid " " and resid 1135 and name H )) (( segid " " and resid 1131 and name HA )) ASSI { 827} (( segid " " and resid 1136 and name H )) ( segid " " and resid 1151 and name HG2%) 3.500 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 7.862 ppm2 0.838 CV 1 OR { 827} (( segid " " and resid 1136 and name H )) ( segid " " and resid 1091 and name HD1%) ASSI { 850} (( segid " " and resid 1137 and name H )) ( segid " " and resid 1135 and name HB% ) 4.000 2.000 2.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.88619E-03 ppm1 7.666 ppm2 1.184 CV 1 OR { 850} (( segid " " and resid 1137 and name H )) ( segid " " and resid 1140 and name HB% ) ASSI { 876} (( segid " " and resid 1141 and name H )) (( segid " " and resid 1140 and name HA )) 3.300 1.400 1.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.11201E-02 ppm1 7.379 ppm2 3.766 CV 1 OR { 876} (( segid " " and resid 1141 and name H )) (( segid " " and resid 1139 and name HA )) ASSI { 897} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1142 and name HA )) 2.600 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.41472E-02 ppm1 7.542 ppm2 4.221 CV 1 OR { 897} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1141 and name HA )) ASSI { 900} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1143 and name H )) 3.800 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.54454E-03 ppm1 7.543 ppm2 8.428 CV 1 OR { 900} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1139 and name H )) ASSI { 909} (( segid " " and resid 1105 and name H )) (( segid " " and resid 1104 and name HB3 )) 3.600 1.600 1.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.85510E-03 ppm1 8.430 ppm2 1.995 CV 1 OR { 909} (( segid " " and resid 1143 and name H )) ( segid " " and resid 1084 and name HE% ) ASSI { 940} (( segid " " and resid 1147 and name H )) (( segid " " and resid 1150 and name HB )) 4.700 2.700 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.53626E-03 ppm1 7.200 ppm2 1.914 CV 1 OR { 940} (( segid " " and resid 1147 and name H )) (( segid " " and resid 1148 and name HB3 )) ASSI { 950} (( segid " " and resid 1147 and name H )) (( segid " " and resid 1149 and name H )) 4.000 2.000 2.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.56938E-03 ppm1 7.200 ppm2 7.510 CV 1 OR { 950} (( segid " " and resid 1147 and name H )) (( segid " " and resid 1150 and name H )) ASSI { 964} (( segid " " and resid 1148 and name H )) ( segid " " and resid 1147 and name HG1%) 3.600 1.600 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.17537E-02 ppm1 8.013 ppm2 0.953 CV 1 OR { 964} (( segid " " and resid 1148 and name H )) ( segid " " and resid 1151 and name HG1%) ASSI { 1019} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1152 and name HA )) 2.900 1.000 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.26792E-02 ppm1 9.013 ppm2 4.009 CV 1 OR { 1019} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1150 and name HA )) ASSI { 1027} (( segid " " and resid 1153 and name H )) ( segid " " and resid 1154 and name HG2%) 3.800 1.800 1.800 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 9.013 ppm2 1.269 CV 1 OR { 1027} (( segid " " and resid 1153 and name H )) ( segid " " and resid 1155 and name HB% ) ASSI { 1030} (( segid " " and resid 1153 and name H )) ( segid " " and resid 1150 and name HD1%) 4.000 2.000 2.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 9.013 ppm2 0.840 CV 1 OR { 1030} (( segid " " and resid 1153 and name H )) ( segid " " and resid 1151 and name HG2%) ASSI { 1038} (( segid " " and resid 1154 and name H )) (( segid " " and resid 1155 and name HA )) 4.300 2.300 1.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.49692E-03 ppm1 8.586 ppm2 3.941 CV 1 OR { 1038} (( segid " " and resid 1154 and name H )) (( segid " " and resid 1156 and name HB3 )) ASSI { 1073} (( segid " " and resid 1157 and name H )) ( segid " " and resid 1159 and name HD2%) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.74332E-03 ppm1 7.925 ppm2 0.798 CV 1 OR { 1073} (( segid " " and resid 1157 and name H )) ( segid " " and resid 1158 and name HG1%) ASSI { 1101} (( segid " " and resid 1159 and name H )) ( segid " " and resid 1158 and name HG1%) 2.900 1.100 1.100 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.33066E-02 ppm1 7.534 ppm2 0.792 CV 1 OR { 1101} (( segid " " and resid 1159 and name H )) ( segid " " and resid 1159 and name HD2%) ASSI { 1125} (( segid " " and resid 1163 and name H )) ( segid " " and resid 1128 and name HD1%) 3.600 1.600 1.600 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.63769E-03 ppm1 8.286 ppm2 0.674 CV 1 OR { 1125} (( segid " " and resid 1163 and name H )) ( segid " " and resid 1166 and name HD1%) ASSI { 1141} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1165 and name HB2 )) 4.000 2.000 2.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.96073E-03 ppm1 7.304 ppm2 1.350 CV 1 OR { 1141} (( segid " " and resid 1164 and name H )) ( segid " " and resid 1162 and name HB% ) ASSI { 1161} (( segid " " and resid 1167 and name H )) ( segid " " and resid 1054 and name HD1%) 3.200 1.200 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.21408E-02 ppm1 8.245 ppm2 0.934 CV 1 OR { 1161} (( segid " " and resid 1167 and name H )) ( segid " " and resid 1166 and name HG2%) ASSI { 1167} (( segid " " and resid 1167 and name H )) (( segid " " and resid 1168 and name H )) 3.000 1.100 1.100 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.13727E-02 ppm1 8.246 ppm2 8.346 CV 1 OR { 1167} (( segid " " and resid 1061 and name H )) (( segid " " and resid 1060 and name H )) ASSI { 1168} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1169 and name H )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.20394E-02 ppm1 8.344 ppm2 8.914 CV 1 OR { 1168} (( segid " " and resid 1168 and name H )) (( segid " " and resid 1169 and name H )) ASSI { 1170} (( segid " " and resid 1168 and name H )) (( segid " " and resid 1167 and name HA )) 3.500 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.88824E-03 ppm1 8.346 ppm2 3.952 CV 1 OR { 1170} (( segid " " and resid 1168 and name H )) (( segid " " and resid 1165 and name HA )) ASSI { 1174} (( segid " " and resid 1168 and name H )) (( segid " " and resid 1168 and name HB2 )) 2.800 1.000 1.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.28656E-02 ppm1 8.344 ppm2 1.981 CV 1 OR { 1174} (( segid " " and resid 1168 and name H )) (( segid " " and resid 1167 and name HB3 )) ASSI { 1176} (( segid " " and resid 1170 and name H )) ( segid " " and resid 1185 and name HD2%) 4.100 2.100 1.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.72675E-03 ppm1 8.341 ppm2 0.748 CV 1 OR { 1176} (( segid " " and resid 1168 and name H )) ( segid " " and resid 1185 and name HD2%) ASSI { 1189} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1170 and name HA )) 2.800 1.000 1.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.27848E-02 ppm1 8.296 ppm2 3.877 CV 1 OR { 1189} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1169 and name HA )) ASSI { 1198} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1170 and name HA )) 3.500 1.600 1.600 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.81786E-03 ppm1 7.417 ppm2 3.876 CV 1 OR { 1198} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1169 and name HA )) ASSI { 1210} (( segid " " and resid 1173 and name H )) (( segid " " and resid 1173 and name HA )) 2.700 0.900 0.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.37869E-02 ppm1 7.992 ppm2 4.049 CV 1 OR { 1210} (( segid " " and resid 1173 and name H )) (( segid " " and resid 1172 and name HA )) ASSI { 1245} (( segid " " and resid 1180 and name H )) (( segid " " and resid 1180 and name HB3 )) 3.000 1.200 1.200 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.63190E-02 ppm1 8.155 ppm2 2.077 CV 1 OR { 1245} (( segid " " and resid 1180 and name H )) (( segid " " and resid 1179 and name HG3 )) ASSI { 1249} (( segid " " and resid 1181 and name H )) (( segid " " and resid 1181 and name HB2 )) 2.700 0.900 0.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.25674E-02 ppm1 7.833 ppm2 4.032 CV 1 OR { 1249} (( segid " " and resid 1181 and name H )) (( segid " " and resid 1180 and name HA )) ASSI { 1253} (( segid " " and resid 1182 and name H )) (( segid " " and resid 1183 and name H )) 3.400 1.400 1.400 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.77435E-03 ppm1 7.813 ppm2 8.031 CV 1 OR { 1253} (( segid " " and resid 1186 and name H )) (( segid " " and resid 1184 and name H )) ASSI { 1255} (( segid " " and resid 1182 and name H )) (( segid " " and resid 1182 and name HA )) 2.700 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.33500E-02 ppm1 7.814 ppm2 3.899 CV 1 OR { 1255} (( segid " " and resid 1186 and name H )) (( segid " " and resid 1186 and name HA )) ASSI { 1267} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1186 and name H )) 3.800 1.800 1.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.66668E-03 ppm1 8.031 ppm2 7.819 CV 1 OR { 1267} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1182 and name H )) ASSI { 1269} (( segid " " and resid 1185 and name H )) (( segid " " and resid 1185 and name HB2 )) 3.000 1.100 1.100 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.11678E-02 ppm1 7.934 ppm2 1.753 CV 1 OR { 1269} (( segid " " and resid 1185 and name H )) (( segid " " and resid 1184 and name HB3 )) ASSI { 1275} (( segid " " and resid 1188 and name H )) (( segid " " and resid 1188 and name HA )) 2.700 0.900 0.900 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.30643E-02 ppm1 8.110 ppm2 3.909 CV 1 OR { 1275} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1205 and name HA2 )) ASSI { 1277} (( segid " " and resid 1188 and name H )) (( segid " " and resid 1188 and name HB )) 2.700 0.900 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.24535E-02 ppm1 8.110 ppm2 2.079 CV 1 OR { 1277} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1206 and name HB2 )) ASSI { 1288} (( segid " " and resid 1189 and name H )) (( segid " " and resid 1189 and name HA )) 2.700 0.900 0.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.28510E-02 ppm1 8.538 ppm2 3.909 CV 1 OR { 1288} (( segid " " and resid 1189 and name H )) (( segid " " and resid 1188 and name HA )) ASSI { 1326} (( segid " " and resid 1195 and name H )) ( segid " " and resid 1192 and name HG1%) 3.800 1.800 1.800 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.95862E-03 ppm1 7.638 ppm2 0.844 CV 1 OR { 1326} (( segid " " and resid 1195 and name H )) ( segid " " and resid 1196 and name HD1%) ASSI { 1333} (( segid " " and resid 1196 and name H )) ( segid " " and resid 1196 and name HD2%) 3.700 1.700 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 8.889 ppm2 0.772 CV 1 OR { 1333} (( segid " " and resid 1196 and name H )) ( segid " " and resid 1158 and name HG1%) ASSI { 1335} (( segid " " and resid 1196 and name H )) (( segid " " and resid 1196 and name HA )) 2.900 1.100 1.100 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 8.889 ppm2 3.802 CV 1 OR { 1335} (( segid " " and resid 1196 and name H )) (( segid " " and resid 1193 and name HA )) ASSI { 1341} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1196 and name HA )) 3.200 1.300 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 7.822 ppm2 3.804 CV 1 OR { 1341} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1193 and name HA )) ASSI { 1353} (( segid " " and resid 1198 and name H )) ( segid " " and resid 1154 and name HG2%) 4.200 2.200 1.800 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.63769E-03 ppm1 7.861 ppm2 1.273 CV 1 OR { 1353} (( segid " " and resid 1198 and name H )) ( segid " " and resid 1095 and name HG2%) ASSI { 1361} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1199 and name HA )) 2.700 0.900 0.900 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.34681E-02 ppm1 7.718 ppm2 4.193 CV 1 OR { 1361} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1154 and name HB )) ASSI { 1433} (( segid " " and resid 1183 and name H )) (( segid " " and resid 1183 and name HG3 )) 3.300 1.400 1.400 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.16295E-02 ppm1 8.042 ppm2 2.362 CV 1 OR { 1433} (( segid " " and resid 1183 and name H )) (( segid " " and resid 1182 and name HG2 )) ASSI { 1451} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1074 and name H )) 3.800 1.800 1.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.63769E-03 ppm1 8.603 ppm2 7.834 CV 1 OR { 1451} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1076 and name H )) ASSI { 1455} (( segid " " and resid 1139 and name H )) (( segid " " and resid 1137 and name H )) 4.200 2.200 1.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.36441E-03 ppm1 8.412 ppm2 7.684 CV 1 OR { 1455} (( segid " " and resid 1064 and name H )) (( segid " " and resid 1066 and name H )) ASSI { 1457} (( segid " " and resid 1060 and name H )) (( segid " " and resid 1062 and name H )) 4.100 2.100 1.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.37269E-03 ppm1 8.371 ppm2 7.425 CV 1 OR { 1457} (( segid " " and resid 1060 and name H )) (( segid " " and resid 1059 and name HD21)) ASSI { 1459} (( segid " " and resid 1053 and name H )) (( segid " " and resid 1051 and name H )) 4.200 2.200 1.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.38097E-03 ppm1 7.978 ppm2 7.794 CV 1 OR { 1459} (( segid " " and resid 1053 and name H )) (( segid " " and resid 1055 and name H )) ASSI { 1466} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1060 and name HA )) 3.900 1.900 1.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.63359E-03 ppm1 7.421 ppm2 4.148 CV 1 OR { 1466} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1058 and name HA )) ASSI { 1467} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1062 and name HE3 )) 4.600 2.600 1.400 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.54454E-03 ppm1 7.422 ppm2 2.920 CV 1 OR { 1467} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1062 and name HE2 )) OR { 1467} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1063 and name HB3 )) ASSI { 1474} (( segid " " and resid 1072 and name H )) (( segid " " and resid 1072 and name HD3 )) 4.500 2.600 1.500 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.48449E-03 ppm1 7.917 ppm2 3.155 CV 1 OR { 1474} (( segid " " and resid 1122 and name H )) (( segid " " and resid 1122 and name HD2 )) OR { 1474} (( segid " " and resid 1072 and name H )) (( segid " " and resid 1072 and name HD2 )) ASSI { 1476} (( segid " " and resid 1194 and name HE22)) (( segid " " and resid 1194 and name HA )) 3.600 1.600 1.600 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 7.492 ppm2 4.055 CV 1 OR { 1476} (( segid " " and resid 1197 and name HD22)) (( segid " " and resid 1198 and name HA )) ASSI { 1477} (( segid " " and resid 1194 and name HE21)) (( segid " " and resid 1194 and name HA )) 3.400 1.500 1.500 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.78888E-03 ppm1 6.855 ppm2 4.057 CV 1 OR { 1477} (( segid " " and resid 1197 and name HD21)) (( segid " " and resid 1198 and name HA )) ASSI { 1488} (( segid " " and resid 1194 and name HE21)) (( segid " " and resid 1194 and name HE22)) 1.700 0.300 0.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.26291E-01 ppm1 6.858 ppm2 7.494 CV 1 OR { 1488} (( segid " " and resid 1197 and name HD21)) (( segid " " and resid 1197 and name HD22)) ASSI { 1489} (( segid " " and resid 1197 and name HD22)) (( segid " " and resid 1198 and name H )) 4.400 2.400 1.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.75989E-03 ppm1 7.490 ppm2 7.837 CV 1 OR { 1489} (( segid " " and resid 1197 and name HD22)) (( segid " " and resid 1197 and name H )) ASSI { 1555} (( segid " " and resid 1100 and name H )) ( segid " " and resid 1101 and name HB% ) 5.000 3.200 1.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.24225E-03 ppm1 8.139 ppm2 1.489 CV 1 OR { 1555} (( segid " " and resid 1100 and name H )) ( segid " " and resid 1103 and name HB% ) ASSI { 1557} (( segid " " and resid 1101 and name H )) (( segid " " and resid 1101 and name HA )) 4.300 2.300 1.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.20912E-03 ppm1 7.840 ppm2 4.211 CV 1 OR { 1557} (( segid " " and resid 1101 and name H )) (( segid " " and resid 1100 and name HA )) ASSI { 1559} (( segid " " and resid 1104 and name H )) ( segid " " and resid 1103 and name HB% ) 3.700 1.700 1.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.53626E-03 ppm1 7.742 ppm2 1.488 CV 1 OR { 1559} (( segid " " and resid 1104 and name H )) (( segid " " and resid 1104 and name HG3 )) ASSI { 1568} (( segid " " and resid 1116 and name H )) (( segid " " and resid 1116 and name HA )) 3.100 1.200 1.200 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.12112E-02 ppm1 7.879 ppm2 4.391 CV 1 OR { 1568} (( segid " " and resid 1116 and name H )) (( segid " " and resid 1115 and name HA )) ASSI { 1579} (( segid " " and resid 1154 and name H )) ( segid " " and resid 1151 and name HG1%) 3.800 1.800 1.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.37890E-03 ppm1 8.590 ppm2 0.939 CV 1 OR { 1579} (( segid " " and resid 1154 and name H )) ( segid " " and resid 1158 and name HG2%) ASSI { 1584} (( segid " " and resid 1097 and name H )) ( segid " " and resid 1196 and name HD1%) 4.300 2.300 1.700 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.37890E-03 ppm1 7.891 ppm2 0.843 CV 1 OR { 1584} (( segid " " and resid 1097 and name H )) ( segid " " and resid 1131 and name HD2%) ASSI { 1} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HA )) 2.700 0.900 0.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.26329E-02 ppm1 1.779 ppm2 4.126 CV 1 ASSI { 3} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HD2 )) 3.400 1.400 1.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.90861E-03 ppm1 1.780 ppm2 3.109 CV 1 OR { 3} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HD3 )) ASSI { 4} (( segid " " and resid 1207 and name HB2 )) (( segid " " and resid 1207 and name HD2 )) 3.600 1.700 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.73653E-03 ppm1 1.636 ppm2 3.106 CV 1 OR { 4} (( segid " " and resid 1207 and name HB2 )) (( segid " " and resid 1207 and name HD3 )) ASSI { 6} (( segid " " and resid 1207 and name HD2 )) (( segid " " and resid 1207 and name HA )) 3.700 1.700 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 3.112 ppm2 4.120 CV 1 OR { 6} (( segid " " and resid 1207 and name HD3 )) (( segid " " and resid 1207 and name HA )) ASSI { 8} (( segid " " and resid 1207 and name HG3 )) (( segid " " and resid 1207 and name HA )) 3.200 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 1.506 ppm2 4.124 CV 1 OR { 8} (( segid " " and resid 1207 and name HG2 )) (( segid " " and resid 1207 and name HA )) ASSI { 10} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1207 and name HB2 )) 3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.17690E-02 ppm1 4.118 ppm2 1.640 CV 1 ASSI { 12} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HB2 )) 1.800 0.400 0.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.15246E-01 ppm1 1.784 ppm2 1.647 CV 1 ASSI { 18} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name H )) 4.000 2.000 2.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.58164E-03 ppm1 1.782 ppm2 7.947 CV 1 ASSI { 20} (( segid " " and resid 1207 and name HG2 )) (( segid " " and resid 1207 and name H )) 2.800 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.24333E-02 ppm1 1.503 ppm2 7.952 CV 1 OR { 20} (( segid " " and resid 1207 and name HG3 )) (( segid " " and resid 1207 and name H )) ASSI { 22} (( segid " " and resid 1206 and name HA )) (( segid " " and resid 1207 and name H )) 2.300 0.600 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.79947E-02 ppm1 4.253 ppm2 7.948 CV 1 ASSI { 24} (( segid " " and resid 1133 and name HG3 )) (( segid " " and resid 1134 and name H )) 3.500 1.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 2.314 ppm2 8.075 CV 1 ASSI { 25} (( segid " " and resid 1089 and name HG3 )) (( segid " " and resid 1093 and name HD22)) 2.900 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.19996E-02 ppm1 2.311 ppm2 7.934 CV 1 ASSI { 26} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name H )) 3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.85697E-03 ppm1 2.244 ppm2 8.080 CV 1 ASSI { 27} (( segid " " and resid 1206 and name HB2 )) (( segid " " and resid 1207 and name H )) 4.100 2.100 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.75029E-03 ppm1 2.059 ppm2 7.949 CV 1 ASSI { 28} (( segid " " and resid 1089 and name HG3 )) (( segid " " and resid 1089 and name H )) 3.300 1.300 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.40611E-02 ppm1 2.311 ppm2 7.540 CV 1 ASSI { 29} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name HE21)) 3.200 1.300 1.300 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 2.240 ppm2 7.561 CV 1 ASSI { 30} (( segid " " and resid 1089 and name HG3 )) (( segid " " and resid 1093 and name HD21)) 3.400 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 2.311 ppm2 6.975 CV 1 ASSI { 31} (( segid " " and resid 1206 and name HB3 )) (( segid " " and resid 1206 and name HA )) 2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.34313E-02 ppm1 1.928 ppm2 4.253 CV 1 ASSI { 32} (( segid " " and resid 1206 and name HB2 )) (( segid " " and resid 1206 and name HA )) 2.600 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.43261E-02 ppm1 2.064 ppm2 4.255 CV 1 ASSI { 33} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name HA )) 3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 2.312 ppm2 4.254 CV 1 ASSI { 35} (( segid " " and resid 1206 and name HA )) (( segid " " and resid 1206 and name HG3 )) 2.900 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.23437E-02 ppm1 4.252 ppm2 2.246 CV 1 ASSI { 39} (( segid " " and resid 1206 and name HB3 )) (( segid " " and resid 1206 and name HB2 )) 1.600 0.300 0.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.31360E-01 ppm1 1.928 ppm2 2.064 CV 1 ASSI { 41} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name HB3 )) 2.900 1.100 1.100 peak 41 spectrum 1 weight 0.10000E+01 volume 0.20547E-02 ppm1 2.312 ppm2 1.927 CV 1 ASSI { 42} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name HB2 )) 2.200 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.88759E-02 ppm1 2.240 ppm2 2.064 CV 1 ASSI { 43} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name HB3 )) 3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.22887E-02 ppm1 2.244 ppm2 1.928 CV 1 ASSI { 45} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name HG2 )) 1.400 0.200 0.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.76417E-01 ppm1 2.241 ppm2 2.312 CV 1 ASSI { 47} (( segid " " and resid 1205 and name HA3 )) (( segid " " and resid 1204 and name HA )) 4.000 2.000 2.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11220E-02 ppm1 3.850 ppm2 4.377 CV 1 ASSI { 51} (( segid " " and resid 1205 and name HA3 )) (( segid " " and resid 1206 and name H )) 3.200 1.300 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 3.851 ppm2 8.082 CV 1 ASSI { 58} (( segid " " and resid 1204 and name HD2 )) (( segid " " and resid 1203 and name HA )) 2.400 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.57475E-02 ppm1 3.463 ppm2 4.294 CV 1 ASSI { 59} (( segid " " and resid 1176 and name HG3 )) (( segid " " and resid 1176 and name HA )) 3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.49491E-02 ppm1 1.951 ppm2 4.357 CV 1 OR { 59} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1176 and name HA )) ASSI { 60} (( segid " " and resid 1047 and name HG2 )) (( segid " " and resid 1047 and name HA )) 3.300 1.300 1.300 peak 60 spectrum 1 weight 0.10000E+01 volume 0.31697E-02 ppm1 2.010 ppm2 4.298 CV 1 ASSI { 61} (( segid " " and resid 1179 and name HG2 )) (( segid " " and resid 1179 and name HA )) 3.100 1.200 1.200 peak 61 spectrum 1 weight 0.10000E+01 volume 0.40129E-02 ppm1 1.983 ppm2 4.243 CV 1 ASSI { 62} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1204 and name HD3 )) 3.400 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.87764E-03 ppm1 4.380 ppm2 3.652 CV 1 ASSI { 63} (( segid " " and resid 1204 and name HB3 )) (( segid " " and resid 1204 and name HD3 )) 3.000 1.200 1.200 peak 63 spectrum 1 weight 0.10000E+01 volume 0.20547E-02 ppm1 2.227 ppm2 3.648 CV 1 ASSI { 64} (( segid " " and resid 1204 and name HB2 )) (( segid " " and resid 1204 and name HD3 )) 3.500 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.21579E-02 ppm1 1.896 ppm2 3.644 CV 1 ASSI { 65} (( segid " " and resid 1204 and name HD2 )) (( segid " " and resid 1204 and name HD3 )) 1.800 0.400 0.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.11746E-01 ppm1 3.463 ppm2 3.654 CV 1 ASSI { 66} (( segid " " and resid 1204 and name HG2 )) (( segid " " and resid 1204 and name HD3 )) 2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.46152E-02 ppm1 2.010 ppm2 3.657 CV 1 ASSI { 67} (( segid " " and resid 1204 and name HG3 )) (( segid " " and resid 1204 and name HD3 )) 2.100 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.70210E-02 ppm1 1.946 ppm2 3.630 CV 1 ASSI { 68} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1204 and name HD2 )) 3.700 1.700 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.77090E-03 ppm1 4.379 ppm2 3.455 CV 1 ASSI { 73} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1204 and name HB3 )) 2.100 0.500 0.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.97607E-02 ppm1 4.378 ppm2 2.228 CV 1 ASSI { 74} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1204 and name HG2 )) 3.300 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.25021E-02 ppm1 4.376 ppm2 2.005 CV 1 ASSI { 75} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1204 and name HB2 )) 2.600 0.800 0.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.60678E-02 ppm1 4.379 ppm2 1.907 CV 1 ASSI { 84} (( segid " " and resid 1204 and name HD3 )) (( segid " " and resid 1203 and name HB3 )) 3.600 1.700 1.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.15143E-02 ppm1 3.653 ppm2 1.404 CV 1 ASSI { 85} (( segid " " and resid 1204 and name HD3 )) ( segid " " and resid 1147 and name HG1%) 3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 3.652 ppm2 0.943 CV 1 ASSI { 87} (( segid " " and resid 1204 and name HD3 )) ( segid " " and resid 1138 and name HG1%) 3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.97741E-03 ppm1 3.653 ppm2 0.772 CV 1 ASSI { 88} (( segid " " and resid 1204 and name HD2 )) ( segid " " and resid 1203 and name HD1%) 3.300 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.17070E-02 ppm1 3.462 ppm2 0.949 CV 1 ASSI { 91} (( segid " " and resid 1204 and name HD2 )) (( segid " " and resid 1203 and name HB3 )) 2.500 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 3.464 ppm2 1.400 CV 1 ASSI { 92} (( segid " " and resid 1096 and name HB2 )) (( segid " " and resid 1096 and name HG3 )) 2.400 0.700 0.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.60643E-02 ppm1 1.899 ppm2 1.396 CV 1 OR { 92} (( segid " " and resid 1096 and name HB3 )) (( segid " " and resid 1096 and name HG3 )) ASSI { 93} (( segid " " and resid 1204 and name HG2 )) ( segid " " and resid 1147 and name HG1%) 3.800 1.900 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 2.009 ppm2 0.943 CV 1 ASSI { 94} (( segid " " and resid 1204 and name HG3 )) ( segid " " and resid 1147 and name HG1%) 3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 1.944 ppm2 0.946 CV 1 ASSI { 95} (( segid " " and resid 1204 and name HG3 )) ( segid " " and resid 1147 and name HG2%) 2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.19962E-02 ppm1 1.944 ppm2 0.861 CV 1 ASSI { 97} ( segid " " and resid 1203 and name HD1%) ( segid " " and resid 1088 and name HG2%) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.31215E-02 ppm1 0.968 ppm2 1.249 CV 1 ASSI { 98} (( segid " " and resid 1203 and name HA )) (( segid " " and resid 1203 and name HG )) 2.800 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.24676E-02 ppm1 4.294 ppm2 2.008 CV 1 ASSI { 99} (( segid " " and resid 1203 and name HA )) (( segid " " and resid 1203 and name HB2 )) 2.900 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.27533E-02 ppm1 4.295 ppm2 1.736 CV 1 ASSI { 100} (( segid " " and resid 1203 and name HA )) (( segid " " and resid 1203 and name HB3 )) 2.500 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.30355E-02 ppm1 4.293 ppm2 1.404 CV 1 ASSI { 101} (( segid " " and resid 1203 and name HA )) ( segid " " and resid 1203 and name HD1%) 3.400 1.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.27292E-02 ppm1 4.293 ppm2 0.949 CV 1 ASSI { 103} (( segid " " and resid 1203 and name HA )) ( segid " " and resid 1138 and name HG1%) 3.500 1.500 1.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.11770E-02 ppm1 4.292 ppm2 0.781 CV 1 ASSI { 105} (( segid " " and resid 1203 and name HB3 )) ( segid " " and resid 1203 and name HD2%) 2.700 0.900 0.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.22852E-02 ppm1 1.397 ppm2 0.860 CV 1 ASSI { 108} (( segid " " and resid 1203 and name HB2 )) (( segid " " and resid 1203 and name HB3 )) 1.900 0.500 0.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.76130E-02 ppm1 1.736 ppm2 1.403 CV 1 ASSI { 110} (( segid " " and resid 1203 and name HB3 )) (( segid " " and resid 1203 and name HG )) 3.200 1.300 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.17036E-02 ppm1 1.401 ppm2 2.012 CV 1 ASSI { 111} (( segid " " and resid 1203 and name HB2 )) (( segid " " and resid 1203 and name HG )) 2.700 0.900 0.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 1.738 ppm2 2.009 CV 1 ASSI { 112} ( segid " " and resid 1203 and name HD1%) (( segid " " and resid 1203 and name HB3 )) 2.400 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.58851E-02 ppm1 0.967 ppm2 1.403 CV 1 ASSI { 113} ( segid " " and resid 1203 and name HD1%) (( segid " " and resid 1203 and name HB2 )) 2.300 0.600 0.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.74959E-02 ppm1 0.967 ppm2 1.734 CV 1 ASSI { 114} ( segid " " and resid 1203 and name HD1%) (( segid " " and resid 1203 and name HG )) 2.100 0.500 0.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.10927E-01 ppm1 0.967 ppm2 2.008 CV 1 ASSI { 115} ( segid " " and resid 1203 and name HD2%) (( segid " " and resid 1203 and name HG )) 2.100 0.500 0.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.98257E-02 ppm1 0.857 ppm2 2.006 CV 1 ASSI { 116} ( segid " " and resid 1203 and name HD2%) (( segid " " and resid 1203 and name HB2 )) 3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.45464E-02 ppm1 0.857 ppm2 1.735 CV 1 ASSI { 119} (( segid " " and resid 1203 and name HA )) (( segid " " and resid 1204 and name HD3 )) 2.100 0.600 0.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.68658E-02 ppm1 4.293 ppm2 3.654 CV 1 ASSI { 124} (( segid " " and resid 1203 and name HB2 )) (( segid " " and resid 1204 and name HD3 )) 4.600 2.700 1.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.80533E-03 ppm1 1.736 ppm2 3.657 CV 1 ASSI { 125} (( segid " " and resid 1203 and name HB2 )) (( segid " " and resid 1204 and name HD2 )) 3.900 1.900 1.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 1.737 ppm2 3.461 CV 1 ASSI { 127} ( segid " " and resid 1203 and name HD1%) (( segid " " and resid 1200 and name HA )) 2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.51590E-02 ppm1 0.968 ppm2 3.800 CV 1 ASSI { 128} ( segid " " and resid 1203 and name HD2%) (( segid " " and resid 1204 and name HD2 )) 2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.56649E-02 ppm1 0.856 ppm2 3.466 CV 1 ASSI { 129} ( segid " " and resid 1203 and name HD2%) (( segid " " and resid 1204 and name HD3 )) 2.900 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.55995E-02 ppm1 0.857 ppm2 3.664 CV 1 ASSI { 135} ( segid " " and resid 1203 and name HD1%) (( segid " " and resid 1203 and name H )) 3.200 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.41644E-02 ppm1 0.968 ppm2 7.131 CV 1 ASSI { 136} ( segid " " and resid 1203 and name HD2%) (( segid " " and resid 1203 and name H )) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.40886E-02 ppm1 0.858 ppm2 7.129 CV 1 ASSI { 138} (( segid " " and resid 1202 and name HA )) (( segid " " and resid 1202 and name HB2 )) 2.400 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.73858E-02 ppm1 4.495 ppm2 2.892 CV 1 OR { 138} (( segid " " and resid 1202 and name HA )) (( segid " " and resid 1202 and name HB3 )) ASSI { 140} (( segid " " and resid 1202 and name HB3 )) ( segid " " and resid 1151 and name HG1%) 2.900 2.900 3.100 peak 140 spectrum 1 weight 0.10000E+01 volume 0.87764E-03 ppm1 2.892 ppm2 0.939 CV 1 OR { 140} (( segid " " and resid 1202 and name HB2 )) ( segid " " and resid 1151 and name HG1%) ASSI { 143} (( segid " " and resid 1202 and name HB3 )) (( segid " " and resid 1203 and name H )) 3.800 1.800 1.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.59881E-03 ppm1 2.896 ppm2 7.133 CV 1 OR { 143} (( segid " " and resid 1202 and name HB2 )) (( segid " " and resid 1203 and name H )) ASSI { 144} (( segid " " and resid 1202 and name HA )) (( segid " " and resid 1202 and name H )) 2.600 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.43020E-02 ppm1 4.496 ppm2 7.425 CV 1 ASSI { 145} (( segid " " and resid 1202 and name HA )) (( segid " " and resid 1203 and name H )) 2.800 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.25502E-02 ppm1 4.497 ppm2 7.131 CV 1 ASSI { 146} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1043 and name HB2 )) 2.900 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.34760E-02 ppm1 4.272 ppm2 2.067 CV 1 ASSI { 147} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1043 and name HB3 )) 2.800 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.17862E-02 ppm1 4.272 ppm2 1.596 CV 1 ASSI { 149} (( segid " " and resid 1043 and name HD3 )) (( segid " " and resid 1043 and name HD2 )) 1.900 0.400 0.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10796E-01 ppm1 3.632 ppm2 3.767 CV 1 ASSI { 151} (( segid " " and resid 1043 and name HD3 )) (( segid " " and resid 1042 and name HB2 )) 4.200 2.200 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 3.636 ppm2 2.650 CV 1 ASSI { 152} (( segid " " and resid 1043 and name HD3 )) (( segid " " and resid 1043 and name HG3 )) 2.900 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 3.630 ppm2 1.837 CV 1 ASSI { 153} (( segid " " and resid 1043 and name HD3 )) (( segid " " and resid 1043 and name HG2 )) 3.500 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.13973E-02 ppm1 3.632 ppm2 1.685 CV 1 ASSI { 154} (( segid " " and resid 1043 and name HD2 )) (( segid " " and resid 1043 and name HG3 )) 3.300 1.400 1.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 3.766 ppm2 1.834 CV 1 ASSI { 155} (( segid " " and resid 1043 and name HD2 )) (( segid " " and resid 1043 and name HG2 )) 3.200 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.72962E-03 ppm1 3.770 ppm2 1.690 CV 1 ASSI { 156} (( segid " " and resid 1043 and name HB3 )) (( segid " " and resid 1043 and name HG3 )) 3.600 1.700 1.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.32696E-03 ppm1 1.591 ppm2 1.835 CV 1 ASSI { 157} (( segid " " and resid 1043 and name HB3 )) (( segid " " and resid 1043 and name HG2 )) 3.200 1.300 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.22061E-02 ppm1 1.594 ppm2 1.679 CV 1 ASSI { 158} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1043 and name HB3 )) 2.000 0.500 0.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.61503E-02 ppm1 2.066 ppm2 1.595 CV 1 ASSI { 159} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1043 and name HG3 )) 3.500 1.600 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 2.064 ppm2 1.843 CV 1 ASSI { 160} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1043 and name HG2 )) 2.900 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.11942E-02 ppm1 2.070 ppm2 1.690 CV 1 ASSI { 164} (( segid " " and resid 1046 and name HA3 )) (( segid " " and resid 1046 and name H )) 3.400 1.400 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.88449E-03 ppm1 3.930 ppm2 8.111 CV 1 OR { 164} (( segid " " and resid 1046 and name HA2 )) (( segid " " and resid 1046 and name H )) ASSI { 166} (( segid " " and resid 1046 and name HA3 )) (( segid " " and resid 1047 and name HD2 )) 3.800 1.800 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.90861E-03 ppm1 3.899 ppm2 3.567 CV 1 ASSI { 167} (( segid " " and resid 1046 and name HA3 )) (( segid " " and resid 1047 and name HD3 )) 3.500 1.500 1.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.94644E-03 ppm1 3.904 ppm2 3.478 CV 1 OR { 167} (( segid " " and resid 1046 and name HA2 )) (( segid " " and resid 1047 and name HD3 )) ASSI { 168} (( segid " " and resid 1047 and name HA )) (( segid " " and resid 1047 and name HB2 )) 3.300 1.300 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 4.286 ppm2 2.223 CV 1 ASSI { 170} (( segid " " and resid 1047 and name HD2 )) (( segid " " and resid 1047 and name HB2 )) 4.100 2.100 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.76405E-03 ppm1 3.554 ppm2 2.226 CV 1 ASSI { 172} (( segid " " and resid 1207 and name HB2 )) (( segid " " and resid 1207 and name HG3 )) 2.200 0.600 0.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.10132E-01 ppm1 1.638 ppm2 1.519 CV 1 OR { 172} (( segid " " and resid 1207 and name HB2 )) (( segid " " and resid 1207 and name HG2 )) ASSI { 173} (( segid " " and resid 1096 and name HB2 )) (( segid " " and resid 1097 and name H )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.55410E-02 ppm1 1.898 ppm2 7.882 CV 1 OR { 173} (( segid " " and resid 1096 and name HB3 )) (( segid " " and resid 1097 and name H )) ASSI { 174} (( segid " " and resid 1190 and name HB2 )) (( segid " " and resid 1191 and name H )) 2.600 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.34072E-02 ppm1 1.902 ppm2 7.469 CV 1 ASSI { 175} ( segid " " and resid 1203 and name HD1%) (( segid " " and resid 1088 and name HA )) 2.800 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.25365E-02 ppm1 0.967 ppm2 3.707 CV 1 ASSI { 179} (( segid " " and resid 1201 and name HA )) ( segid " " and resid 1200 and name HG1%) 4.400 2.400 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.75374E-03 ppm1 4.271 ppm2 1.003 CV 1 ASSI { 181} (( segid " " and resid 1201 and name HA )) (( segid " " and resid 1201 and name HB2 )) 2.400 0.700 0.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.58164E-02 ppm1 4.270 ppm2 3.933 CV 1 ASSI { 182} (( segid " " and resid 1201 and name HA )) (( segid " " and resid 1201 and name HB3 )) 2.600 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.67487E-02 ppm1 4.271 ppm2 3.870 CV 1 ASSI { 185} (( segid " " and resid 1201 and name HB3 )) (( segid " " and resid 1201 and name HB2 )) 1.700 0.400 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.18440E-01 ppm1 3.865 ppm2 3.934 CV 1 ASSI { 186} (( segid " " and resid 1201 and name HA )) (( segid " " and resid 1203 and name H )) 3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 4.269 ppm2 7.130 CV 1 ASSI { 187} (( segid " " and resid 1201 and name HA )) (( segid " " and resid 1201 and name H )) 2.600 0.800 0.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.44741E-02 ppm1 4.271 ppm2 7.853 CV 1 ASSI { 189} (( segid " " and resid 1201 and name HB2 )) (( segid " " and resid 1201 and name H )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.36516E-02 ppm1 3.935 ppm2 7.853 CV 1 ASSI { 190} (( segid " " and resid 1201 and name HB3 )) (( segid " " and resid 1201 and name H )) 2.600 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.38236E-02 ppm1 3.865 ppm2 7.852 CV 1 ASSI { 191} (( segid " " and resid 1201 and name HB2 )) (( segid " " and resid 1202 and name H )) 4.000 2.000 2.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.78472E-03 ppm1 3.940 ppm2 7.415 CV 1 ASSI { 192} (( segid " " and resid 1201 and name HB3 )) (( segid " " and resid 1202 and name H )) 3.100 1.200 1.200 peak 192 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 3.865 ppm2 7.422 CV 1 ASSI { 193} (( segid " " and resid 1200 and name HB )) (( segid " " and resid 1201 and name H )) 3.000 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.32317E-02 ppm1 2.118 ppm2 7.851 CV 1 ASSI { 194} (( segid " " and resid 1200 and name HA )) (( segid " " and resid 1200 and name H )) 2.600 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.29288E-02 ppm1 3.799 ppm2 7.338 CV 1 ASSI { 196} (( segid " " and resid 1200 and name HB )) (( segid " " and resid 1199 and name H )) 4.400 2.500 1.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.95335E-03 ppm1 2.116 ppm2 7.706 CV 1 ASSI { 197} (( segid " " and resid 1200 and name HB )) (( segid " " and resid 1200 and name H )) 2.900 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.53793E-02 ppm1 2.117 ppm2 7.338 CV 1 ASSI { 199} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1200 and name H )) 1.900 0.500 0.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.12862E-01 ppm1 1.008 ppm2 7.339 CV 1 ASSI { 200} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1199 and name H )) 3.800 1.800 1.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16210E-02 ppm1 1.006 ppm2 7.715 CV 1 ASSI { 201} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1201 and name H )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.43055E-02 ppm1 0.924 ppm2 7.850 CV 1 ASSI { 202} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1200 and name H )) 2.400 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.48286E-02 ppm1 0.924 ppm2 7.340 CV 1 ASSI { 203} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1197 and name HA )) 2.600 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.66252E-02 ppm1 1.007 ppm2 4.400 CV 1 ASSI { 204} (( segid " " and resid 1200 and name HB )) (( segid " " and resid 1197 and name HA )) 4.100 2.100 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.20822E-02 ppm1 2.116 ppm2 4.397 CV 1 ASSI { 205} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1201 and name HA )) 2.800 1.000 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.33040E-02 ppm1 0.924 ppm2 4.272 CV 1 ASSI { 206} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1095 and name HB )) 2.700 2.700 3.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.16313E-02 ppm1 0.923 ppm2 4.149 CV 1 ASSI { 208} (( segid " " and resid 1200 and name HB )) (( segid " " and resid 1200 and name HA )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.40886E-02 ppm1 2.118 ppm2 3.801 CV 1 ASSI { 209} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1095 and name HB )) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.43502E-02 ppm1 1.009 ppm2 4.165 CV 1 ASSI { 210} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1092 and name HA2 )) 2.300 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.49422E-02 ppm1 1.007 ppm2 4.066 CV 1 ASSI { 211} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1200 and name HA )) 2.000 0.500 0.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.15260E-01 ppm1 1.008 ppm2 3.801 CV 1 ASSI { 212} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1200 and name HA )) 2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.87348E-02 ppm1 0.924 ppm2 3.802 CV 1 ASSI { 215} (( segid " " and resid 1200 and name HA )) (( segid " " and resid 1203 and name HG )) 2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.26329E-02 ppm1 3.799 ppm2 2.011 CV 1 ASSI { 217} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1200 and name HB )) 2.100 0.500 0.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.12476E-01 ppm1 0.923 ppm2 2.119 CV 1 ASSI { 218} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1203 and name HG )) 4.000 2.000 2.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.98087E-03 ppm1 0.924 ppm2 2.020 CV 1 ASSI { 220} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1200 and name HB )) 2.100 0.500 0.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.12527E-01 ppm1 1.008 ppm2 2.119 CV 1 ASSI { 221} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1203 and name HG )) 3.700 1.700 1.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.20822E-02 ppm1 1.010 ppm2 2.017 CV 1 ASSI { 222} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1091 and name HB2 )) 3.700 1.700 1.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 1.008 ppm2 1.855 CV 1 ASSI { 223} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1091 and name HB3 )) 3.000 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 1.010 ppm2 1.733 CV 1 ASSI { 224} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1199 and name HB2 )) 2.400 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.27499E-02 ppm1 1.008 ppm2 2.801 CV 1 ASSI { 225} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1199 and name HB3 )) 3.000 3.000 3.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.18516E-02 ppm1 1.009 ppm2 3.007 CV 1 ASSI { 226} (( segid " " and resid 1050 and name HB3 )) (( segid " " and resid 1050 and name HB2 )) 2.100 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.40852E-02 ppm1 2.126 ppm2 1.735 CV 1 ASSI { 227} ( segid " " and resid 1200 and name HG2%) ( segid " " and resid 1095 and name HG2%) 2.800 1.000 1.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.32592E-02 ppm1 0.924 ppm2 1.281 CV 1 ASSI { 228} ( segid " " and resid 1200 and name HG1%) ( segid " " and resid 1095 and name HG2%) 2.300 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.89755E-02 ppm1 1.007 ppm2 1.283 CV 1 ASSI { 229} (( segid " " and resid 1200 and name HB )) ( segid " " and resid 1095 and name HG2%) 3.800 1.800 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 2.118 ppm2 1.284 CV 1 ASSI { 230} ( segid " " and resid 1200 and name HG2%) (( segid " " and resid 1091 and name HG )) 4.100 2.100 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 0.925 ppm2 1.578 CV 1 ASSI { 231} ( segid " " and resid 1200 and name HG1%) (( segid " " and resid 1091 and name HG )) 2.600 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.30803E-02 ppm1 1.009 ppm2 1.570 CV 1 ASSI { 234} (( segid " " and resid 1200 and name HA )) ( segid " " and resid 1091 and name HD2%) 2.600 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.33040E-02 ppm1 3.800 ppm2 0.827 CV 1 ASSI { 237} (( segid " " and resid 1200 and name HB )) ( segid " " and resid 1091 and name HD2%) 3.100 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.28979E-02 ppm1 2.115 ppm2 0.838 CV 1 ASSI { 238} (( segid " " and resid 1199 and name HA )) ( segid " " and resid 1154 and name HG2%) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.28565E-02 ppm1 4.196 ppm2 1.266 CV 1 ASSI { 240} (( segid " " and resid 1199 and name HB2 )) ( segid " " and resid 1154 and name HG2%) 3.900 1.900 1.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.11805E-02 ppm1 2.801 ppm2 1.279 CV 1 ASSI { 241} (( segid " " and resid 1199 and name HB2 )) ( segid " " and resid 1158 and name HG2%) 2.900 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 2.798 ppm2 0.941 CV 1 ASSI { 243} (( segid " " and resid 1199 and name HB3 )) ( segid " " and resid 1154 and name HG2%) 4.100 2.100 1.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.20374E-02 ppm1 3.012 ppm2 1.273 CV 1 ASSI { 245} (( segid " " and resid 1199 and name HB3 )) ( segid " " and resid 1091 and name HD2%) 2.900 2.900 3.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.18241E-02 ppm1 3.014 ppm2 0.827 CV 1 ASSI { 246} (( segid " " and resid 1199 and name HA )) (( segid " " and resid 1199 and name HG )) 3.300 1.400 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.99117E-03 ppm1 4.193 ppm2 2.413 CV 1 ASSI { 247} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1199 and name HG )) 3.500 1.500 1.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.67113E-03 ppm1 2.798 ppm2 2.416 CV 1 ASSI { 248} (( segid " " and resid 1199 and name HB3 )) (( segid " " and resid 1199 and name HG )) 3.100 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 3.012 ppm2 2.416 CV 1 ASSI { 249} (( segid " " and resid 1199 and name HB3 )) (( segid " " and resid 1199 and name HB2 )) 1.900 0.500 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.76715E-02 ppm1 3.013 ppm2 2.799 CV 1 ASSI { 250} (( segid " " and resid 1199 and name HA )) (( segid " " and resid 1199 and name HB2 )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.19617E-02 ppm1 4.192 ppm2 2.799 CV 1 ASSI { 252} (( segid " " and resid 1199 and name HA )) (( segid " " and resid 1199 and name HB3 )) 3.200 1.200 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 4.192 ppm2 3.014 CV 1 ASSI { 254} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1196 and name HA )) 3.100 1.200 1.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 2.797 ppm2 3.813 CV 1 ASSI { 255} (( segid " " and resid 1199 and name HB3 )) (( segid " " and resid 1196 and name HA )) 3.000 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13560E-02 ppm1 3.013 ppm2 3.812 CV 1 ASSI { 258} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1200 and name H )) 3.700 1.700 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.18241E-02 ppm1 2.798 ppm2 7.339 CV 1 ASSI { 259} (( segid " " and resid 1199 and name HB3 )) (( segid " " and resid 1199 and name H )) 2.500 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.40852E-02 ppm1 3.014 ppm2 7.716 CV 1 ASSI { 261} (( segid " " and resid 1199 and name HA )) (( segid " " and resid 1199 and name H )) 2.800 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.20925E-02 ppm1 4.192 ppm2 7.716 CV 1 ASSI { 262} (( segid " " and resid 1142 and name HA )) (( segid " " and resid 1142 and name H )) 2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.24711E-02 ppm1 4.218 ppm2 7.545 CV 1 ASSI { 265} (( segid " " and resid 1199 and name HB3 )) (( segid " " and resid 1198 and name H )) 4.400 2.400 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.66767E-03 ppm1 3.015 ppm2 7.852 CV 1 ASSI { 266} (( segid " " and resid 1197 and name HA )) (( segid " " and resid 1197 and name H )) 2.400 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.49938E-02 ppm1 4.399 ppm2 7.830 CV 1 ASSI { 267} (( segid " " and resid 1197 and name HA )) (( segid " " and resid 1200 and name H )) 3.100 1.200 1.200 peak 267 spectrum 1 weight 0.10000E+01 volume 0.17415E-02 ppm1 4.399 ppm2 7.342 CV 1 ASSI { 269} (( segid " " and resid 1197 and name HB3 )) (( segid " " and resid 1197 and name HD22)) 3.600 1.600 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 2.786 ppm2 7.490 CV 1 ASSI { 270} (( segid " " and resid 1197 and name HB2 )) (( segid " " and resid 1197 and name H )) 2.600 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.45980E-02 ppm1 2.850 ppm2 7.829 CV 1 ASSI { 271} (( segid " " and resid 1197 and name HB3 )) (( segid " " and resid 1197 and name H )) 2.400 0.700 0.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.53380E-02 ppm1 2.786 ppm2 7.829 CV 1 ASSI { 273} (( segid " " and resid 1197 and name HB3 )) (( segid " " and resid 1197 and name HD21)) 2.900 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 2.787 ppm2 6.853 CV 1 ASSI { 274} (( segid " " and resid 1197 and name HB2 )) (( segid " " and resid 1197 and name HA )) 2.400 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.40783E-02 ppm1 2.850 ppm2 4.401 CV 1 ASSI { 277} (( segid " " and resid 1197 and name HB3 )) (( segid " " and resid 1194 and name HA )) 2.600 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.26535E-02 ppm1 2.787 ppm2 4.055 CV 1 ASSI { 278} (( segid " " and resid 1197 and name HA )) (( segid " " and resid 1197 and name HB3 )) 2.600 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.65011E-02 ppm1 4.401 ppm2 2.789 CV 1 ASSI { 281} (( segid " " and resid 1197 and name HA )) ( segid " " and resid 1200 and name HG2%) 2.900 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 4.401 ppm2 0.926 CV 1 ASSI { 286} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1196 and name H )) 2.900 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.17312E-02 ppm1 3.815 ppm2 8.884 CV 1 ASSI { 287} (( segid " " and resid 1159 and name HA )) (( segid " " and resid 1162 and name H )) 3.400 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 3.808 ppm2 9.166 CV 1 ASSI { 290} ( segid " " and resid 1196 and name HD1%) (( segid " " and resid 1196 and name H )) 3.400 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.21407E-02 ppm1 0.840 ppm2 8.882 CV 1 ASSI { 291} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1197 and name H )) 3.300 1.300 1.300 peak 291 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 3.818 ppm2 7.825 CV 1 ASSI { 295} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1055 and name H )) 3.600 1.600 1.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 0.844 ppm2 7.818 CV 1 ASSI { 296} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1131 and name H )) 3.200 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.36688E-02 ppm1 0.756 ppm2 8.290 CV 1 ASSI { 297} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1135 and name H )) 3.000 1.200 1.200 peak 297 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 0.758 ppm2 8.816 CV 1 ASSI { 298} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1159 and name H )) 3.400 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 0.760 ppm2 7.536 CV 1 ASSI { 299} (( segid " " and resid 1196 and name HB3 )) (( segid " " and resid 1196 and name HA )) 2.800 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.14283E-02 ppm1 1.313 ppm2 3.807 CV 1 ASSI { 301} ( segid " " and resid 1196 and name HD1%) (( segid " " and resid 1095 and name HA )) 2.600 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.36378E-02 ppm1 0.843 ppm2 3.866 CV 1 ASSI { 302} ( segid " " and resid 1196 and name HD1%) (( segid " " and resid 1193 and name HA )) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.43881E-02 ppm1 0.842 ppm2 3.788 CV 1 ASSI { 305} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1196 and name HB2 )) 2.900 1.100 1.100 peak 305 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 3.814 ppm2 2.159 CV 1 ASSI { 306} (( segid " " and resid 1196 and name HB3 )) (( segid " " and resid 1196 and name HB2 )) 2.300 0.600 0.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.18413E-02 ppm1 1.311 ppm2 2.160 CV 1 ASSI { 307} ( segid " " and resid 1196 and name HD1%) (( segid " " and resid 1196 and name HB2 )) 2.400 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.47735E-02 ppm1 0.876 ppm2 2.160 CV 1 ASSI { 309} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1058 and name HG3 )) 3.200 1.300 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.25675E-02 ppm1 0.876 ppm2 2.345 CV 1 ASSI { 311} ( segid " " and resid 1196 and name HD1%) (( segid " " and resid 1196 and name HB3 )) 2.600 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.36894E-02 ppm1 0.843 ppm2 1.306 CV 1 ASSI { 314} (( segid " " and resid 1196 and name HB2 )) ( segid " " and resid 1196 and name HD2%) 3.800 1.800 1.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.13216E-02 ppm1 2.155 ppm2 0.775 CV 1 ASSI { 316} (( segid " " and resid 1196 and name HB3 )) ( segid " " and resid 1196 and name HD2%) 2.800 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.13423E-02 ppm1 1.314 ppm2 0.765 CV 1 ASSI { 317} ( segid " " and resid 1195 and name HB% ) (( segid " " and resid 1195 and name H )) 2.200 0.600 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.98292E-02 ppm1 1.455 ppm2 7.635 CV 1 ASSI { 318} (( segid " " and resid 1097 and name HA )) (( segid " " and resid 1097 and name H )) 2.600 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.39338E-02 ppm1 4.104 ppm2 7.881 CV 1 ASSI { 320} ( segid " " and resid 1195 and name HB% ) (( segid " " and resid 1195 and name HA )) 2.100 0.500 0.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.15136E-01 ppm1 1.439 ppm2 4.101 CV 1 ASSI { 322} (( segid " " and resid 1195 and name HA )) (( segid " " and resid 1198 and name HB2 )) 3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.18723E-02 ppm1 4.109 ppm2 1.932 CV 1 ASSI { 323} (( segid " " and resid 1195 and name HA )) (( segid " " and resid 1198 and name HB3 )) 2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.18585E-02 ppm1 4.111 ppm2 1.848 CV 1 ASSI { 324} ( segid " " and resid 1121 and name HB% ) (( segid " " and resid 1050 and name HG3 )) 3.100 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.40646E-02 ppm1 1.428 ppm2 2.391 CV 1 ASSI { 325} ( segid " " and resid 1121 and name HB% ) (( segid " " and resid 1050 and name HB3 )) 2.900 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.57957E-02 ppm1 1.433 ppm2 2.126 CV 1 ASSI { 331} ( segid " " and resid 1193 and name HG2%) ( segid " " and resid 1196 and name HD1%) 3.100 1.200 1.200 peak 331 spectrum 1 weight 0.10000E+01 volume 0.31043E-02 ppm1 1.207 ppm2 0.833 CV 1 ASSI { 332} ( segid " " and resid 1193 and name HG2%) ( segid " " and resid 1102 and name HD1%) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.16554E-02 ppm1 1.207 ppm2 0.713 CV 1 ASSI { 333} (( segid " " and resid 1193 and name HA )) (( segid " " and resid 1196 and name HB2 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.15109E-02 ppm1 3.773 ppm2 2.159 CV 1 ASSI { 334} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1196 and name HB2 )) 3.300 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 1.208 ppm2 2.160 CV 1 ASSI { 335} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1194 and name HA )) 2.800 1.000 1.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.28325E-02 ppm1 1.208 ppm2 4.055 CV 1 ASSI { 336} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1193 and name HA )) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.54309E-02 ppm1 1.207 ppm2 3.779 CV 1 ASSI { 337} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1193 and name HB )) 2.200 0.600 0.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.86488E-02 ppm1 1.207 ppm2 4.341 CV 1 ASSI { 338} (( segid " " and resid 1193 and name HA )) (( segid " " and resid 1193 and name HB )) 3.100 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 3.777 ppm2 4.349 CV 1 ASSI { 340} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1194 and name HE21)) 3.000 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 1.207 ppm2 6.854 CV 1 ASSI { 341} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1194 and name HE22)) 3.700 1.700 1.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14868E-02 ppm1 1.206 ppm2 7.487 CV 1 ASSI { 342} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1197 and name H )) 3.600 1.700 1.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.70210E-03 ppm1 1.210 ppm2 7.829 CV 1 ASSI { 343} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1193 and name H )) 3.500 1.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.23679E-02 ppm1 1.208 ppm2 8.426 CV 1 ASSI { 344} ( segid " " and resid 1193 and name HG2%) (( segid " " and resid 1194 and name H )) 3.300 1.400 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.20099E-02 ppm1 1.206 ppm2 8.319 CV 1 ASSI { 345} (( segid " " and resid 1193 and name HA )) (( segid " " and resid 1196 and name H )) 3.200 1.300 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 3.776 ppm2 8.887 CV 1 ASSI { 346} (( segid " " and resid 1193 and name HA )) (( segid " " and resid 1193 and name H )) 3.300 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 3.777 ppm2 8.426 CV 1 ASSI { 347} (( segid " " and resid 1193 and name HB )) (( segid " " and resid 1194 and name H )) 2.900 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.15487E-02 ppm1 4.339 ppm2 8.328 CV 1 ASSI { 350} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1192 and name HA )) 2.200 0.600 0.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.91722E-02 ppm1 0.949 ppm2 3.518 CV 1 ASSI { 351} ( segid " " and resid 1057 and name HG2%) (( segid " " and resid 1057 and name HA )) 2.100 0.500 0.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.13656E-01 ppm1 0.953 ppm2 3.426 CV 1 OR { 351} ( segid " " and resid 1057 and name HG1%) (( segid " " and resid 1057 and name HA )) ASSI { 352} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1158 and name HA )) 2.200 0.600 0.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.90036E-02 ppm1 0.949 ppm2 3.317 CV 1 ASSI { 353} ( segid " " and resid 1192 and name HG1%) (( segid " " and resid 1162 and name HA )) 2.700 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.46909E-02 ppm1 0.838 ppm2 3.900 CV 1 ASSI { 356} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1196 and name HA )) 2.000 0.500 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.13533E-01 ppm1 0.951 ppm2 3.802 CV 1 ASSI { 357} (( segid " " and resid 1192 and name HB )) (( segid " " and resid 1193 and name H )) 3.100 1.200 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 2.260 ppm2 8.427 CV 1 ASSI { 359} ( segid " " and resid 1057 and name HG1%) (( segid " " and resid 1058 and name H )) 2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.53827E-02 ppm1 0.954 ppm2 8.590 CV 1 OR { 359} ( segid " " and resid 1057 and name HG2%) (( segid " " and resid 1058 and name H )) ASSI { 360} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1193 and name H )) 3.700 1.700 1.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 0.950 ppm2 8.419 CV 1 ASSI { 361} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1192 and name H )) 2.100 0.500 0.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.10001E-01 ppm1 0.949 ppm2 8.103 CV 1 ASSI { 362} ( segid " " and resid 1057 and name HG2%) (( segid " " and resid 1057 and name H )) 2.200 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12589E-01 ppm1 0.952 ppm2 8.000 CV 1 ASSI { 363} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1158 and name H )) 2.100 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11925E-01 ppm1 0.949 ppm2 7.648 CV 1 ASSI { 364} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1196 and name H )) 2.800 1.000 1.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.29667E-02 ppm1 0.948 ppm2 8.885 CV 1 ASSI { 365} (( segid " " and resid 1192 and name HA )) (( segid " " and resid 1192 and name H )) 3.000 1.100 1.100 peak 365 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 3.520 ppm2 8.099 CV 1 ASSI { 366} (( segid " " and resid 1192 and name HA )) (( segid " " and resid 1195 and name H )) 3.300 1.400 1.400 peak 366 spectrum 1 weight 0.10000E+01 volume 0.94299E-03 ppm1 3.516 ppm2 7.627 CV 1 ASSI { 367} (( segid " " and resid 1192 and name HA )) ( segid " " and resid 1191 and name HB% ) 3.300 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.16382E-02 ppm1 3.519 ppm2 1.520 CV 1 ASSI { 368} (( segid " " and resid 1192 and name HA )) ( segid " " and resid 1195 and name HB% ) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 3.518 ppm2 1.456 CV 1 ASSI { 369} (( segid " " and resid 1192 and name HA )) (( segid " " and resid 1161 and name HB3 )) 3.000 1.100 1.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 3.518 ppm2 1.737 CV 1 OR { 369} (( segid " " and resid 1192 and name HA )) (( segid " " and resid 1161 and name HB2 )) ASSI { 370} (( segid " " and resid 1192 and name HA )) (( segid " " and resid 1192 and name HB )) 3.200 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 3.518 ppm2 2.263 CV 1 ASSI { 371} ( segid " " and resid 1192 and name HG1%) (( segid " " and resid 1196 and name HG )) 2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33728E-02 ppm1 0.837 ppm2 1.819 CV 1 ASSI { 372} ( segid " " and resid 1192 and name HG1%) (( segid " " and resid 1192 and name HB )) 2.300 0.600 0.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.69349E-02 ppm1 0.834 ppm2 2.263 CV 1 ASSI { 373} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1199 and name HB3 )) 3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.24057E-02 ppm1 0.950 ppm2 3.010 CV 1 ASSI { 374} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1157 and name HB3 )) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.46565E-02 ppm1 0.950 ppm2 2.783 CV 1 OR { 374} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1157 and name HB2 )) ASSI { 375} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1192 and name HB )) 1.900 0.400 0.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.18784E-01 ppm1 0.950 ppm2 2.285 CV 1 ASSI { 376} ( segid " " and resid 1057 and name HG1%) (( segid " " and resid 1057 and name HB )) 1.900 0.500 0.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.18908E-01 ppm1 0.951 ppm2 2.162 CV 1 OR { 376} ( segid " " and resid 1057 and name HG2%) (( segid " " and resid 1057 and name HB )) ASSI { 378} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1161 and name HB2 )) 2.100 0.500 0.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.95745E-02 ppm1 0.949 ppm2 1.731 CV 1 OR { 378} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1161 and name HB3 )) ASSI { 379} ( segid " " and resid 1158 and name HG2%) ( segid " " and resid 1195 and name HB% ) 1.900 0.500 0.500 peak 379 spectrum 1 weight 0.10000E+01 volume 0.22229E-01 ppm1 0.951 ppm2 1.457 CV 1 ASSI { 380} ( segid " " and resid 1192 and name HG1%) ( segid " " and resid 1195 and name HB% ) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.41575E-02 ppm1 0.841 ppm2 1.450 CV 1 ASSI { 387} (( segid " " and resid 1097 and name HA )) ( segid " " and resid 1097 and name HB% ) 2.300 0.700 0.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.82494E-02 ppm1 4.104 ppm2 1.500 CV 1 ASSI { 388} ( segid " " and resid 1097 and name HB% ) (( segid " " and resid 1097 and name H )) 2.100 0.500 0.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.14276E-01 ppm1 1.502 ppm2 7.887 CV 1 ASSI { 389} ( segid " " and resid 1191 and name HB% ) (( segid " " and resid 1191 and name H )) 2.100 0.500 0.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.13832E-01 ppm1 1.514 ppm2 7.470 CV 1 ASSI { 390} (( segid " " and resid 1097 and name HA )) (( segid " " and resid 1098 and name H )) 3.500 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.10807E-02 ppm1 4.103 ppm2 8.655 CV 1 ASSI { 392} ( segid " " and resid 1191 and name HB% ) (( segid " " and resid 1192 and name H )) 2.300 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.69660E-02 ppm1 1.514 ppm2 8.101 CV 1 ASSI { 393} (( segid " " and resid 1189 and name HA )) (( segid " " and resid 1189 and name H )) 2.900 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.17897E-02 ppm1 3.913 ppm2 8.542 CV 1 ASSI { 394} ( segid " " and resid 1189 and name HB% ) (( segid " " and resid 1189 and name H )) 2.300 0.700 0.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.62774E-02 ppm1 1.402 ppm2 8.541 CV 1 ASSI { 397} ( segid " " and resid 1189 and name HB% ) (( segid " " and resid 1191 and name H )) 4.000 2.000 2.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.87073E-03 ppm1 1.396 ppm2 7.469 CV 1 ASSI { 398} ( segid " " and resid 1189 and name HB% ) (( segid " " and resid 1189 and name HA )) 2.100 0.600 0.600 peak 398 spectrum 1 weight 0.10000E+01 volume 0.11688E-01 ppm1 1.400 ppm2 3.910 CV 1 ASSI { 399} (( segid " " and resid 1189 and name HA )) (( segid " " and resid 1192 and name HB )) 3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 3.911 ppm2 2.269 CV 1 ASSI { 402} (( segid " " and resid 1189 and name HA )) ( segid " " and resid 1165 and name HD2%) 2.600 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.43949E-02 ppm1 3.911 ppm2 0.845 CV 1 ASSI { 403} ( segid " " and resid 1189 and name HB% ) ( segid " " and resid 1106 and name HD1%) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10452E-01 ppm1 1.402 ppm2 0.813 CV 1 ASSI { 404} (( segid " " and resid 1188 and name HA )) ( segid " " and resid 1188 and name HG1%) 3.200 1.300 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 3.908 ppm2 1.052 CV 1 ASSI { 405} (( segid " " and resid 1188 and name HA )) ( segid " " and resid 1188 and name HG2%) 2.800 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.25193E-02 ppm1 3.910 ppm2 0.938 CV 1 ASSI { 407} (( segid " " and resid 1188 and name HB )) ( segid " " and resid 1191 and name HB% ) 3.800 1.800 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 2.063 ppm2 1.500 CV 1 ASSI { 409} (( segid " " and resid 1188 and name HA )) ( segid " " and resid 1191 and name HB% ) 2.700 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.27086E-02 ppm1 3.909 ppm2 1.514 CV 1 ASSI { 410} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1161 and name HG2 )) 3.700 1.700 1.700 peak 410 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 3.909 ppm2 1.431 CV 1 ASSI { 411} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1188 and name HB )) 2.000 0.500 0.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.14193E-01 ppm1 1.054 ppm2 2.079 CV 1 ASSI { 413} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1185 and name HB3 )) 3.000 1.100 1.100 peak 413 spectrum 1 weight 0.10000E+01 volume 0.41162E-02 ppm1 1.055 ppm2 1.496 CV 1 OR { 413} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1185 and name HG )) ASSI { 414} ( segid " " and resid 1056 and name HG1%) (( segid " " and resid 1056 and name HB )) 2.600 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.43261E-02 ppm1 0.930 ppm2 2.271 CV 1 ASSI { 416} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1161 and name HB2 )) 2.900 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.19032E-02 ppm1 0.928 ppm2 1.732 CV 1 OR { 416} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1161 and name HB3 )) ASSI { 419} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1165 and name HB2 )) 2.300 0.600 0.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.57234E-02 ppm1 0.930 ppm2 1.369 CV 1 ASSI { 421} (( segid " " and resid 1188 and name HB )) (( segid " " and resid 1188 and name HA )) 2.300 0.700 0.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.64841E-02 ppm1 2.070 ppm2 3.900 CV 1 ASSI { 425} (( segid " " and resid 1188 and name HB )) (( segid " " and resid 1188 and name H )) 2.500 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.39923E-02 ppm1 2.072 ppm2 8.105 CV 1 ASSI { 426} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1188 and name H )) 2.700 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.27568E-02 ppm1 3.910 ppm2 8.105 CV 1 ASSI { 427} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1188 and name H )) 2.000 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.11863E-01 ppm1 1.054 ppm2 8.105 CV 1 ASSI { 428} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1187 and name H )) 3.100 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.31353E-02 ppm1 1.055 ppm2 7.927 CV 1 ASSI { 429} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1191 and name H )) 3.900 1.900 1.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.89825E-03 ppm1 1.051 ppm2 7.468 CV 1 ASSI { 430} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1188 and name H )) 3.300 1.300 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.41437E-02 ppm1 0.930 ppm2 8.103 CV 1 ASSI { 431} ( segid " " and resid 1147 and name HG1%) (( segid " " and resid 1148 and name H )) 3.200 1.300 1.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.36791E-02 ppm1 0.942 ppm2 7.996 CV 1 ASSI { 432} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1165 and name H )) 2.600 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.45257E-02 ppm1 0.933 ppm2 7.966 CV 1 ASSI { 433} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1189 and name H )) 3.200 1.300 1.300 peak 433 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 3.911 ppm2 8.536 CV 1 ASSI { 434} (( segid " " and resid 1188 and name HB )) (( segid " " and resid 1189 and name H )) 3.500 1.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.20650E-02 ppm1 2.071 ppm2 8.540 CV 1 ASSI { 435} ( segid " " and resid 1188 and name HG1%) (( segid " " and resid 1189 and name H )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.35828E-02 ppm1 1.055 ppm2 8.540 CV 1 ASSI { 436} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1189 and name H )) 3.200 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.26535E-02 ppm1 0.931 ppm2 8.539 CV 1 ASSI { 437} (( segid " " and resid 1186 and name HA )) (( segid " " and resid 1186 and name H )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25365E-02 ppm1 3.907 ppm2 7.820 CV 1 ASSI { 440} ( segid " " and resid 1186 and name HB% ) (( segid " " and resid 1186 and name H )) 2.200 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.11667E-01 ppm1 1.437 ppm2 7.822 CV 1 ASSI { 443} ( segid " " and resid 1169 and name HB% ) ( segid " " and resid 1185 and name HD2%) 2.200 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.16062E-01 ppm1 1.430 ppm2 0.724 CV 1 ASSI { 444} (( segid " " and resid 1185 and name HA )) ( segid " " and resid 1185 and name HD2%) 2.600 0.900 0.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.37239E-02 ppm1 3.874 ppm2 0.744 CV 1 ASSI { 445} (( segid " " and resid 1185 and name HB3 )) ( segid " " and resid 1185 and name HD2%) 2.700 0.900 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.36171E-02 ppm1 1.492 ppm2 0.751 CV 1 OR { 445} (( segid " " and resid 1185 and name HB3 )) ( segid " " and resid 1185 and name HD1%) ASSI { 446} (( segid " " and resid 1185 and name HB2 )) ( segid " " and resid 1185 and name HD1%) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.31869E-02 ppm1 1.749 ppm2 0.752 CV 1 OR { 446} (( segid " " and resid 1185 and name HB2 )) ( segid " " and resid 1185 and name HD2%) ASSI { 447} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name HB3 )) 2.100 0.500 0.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.53758E-02 ppm1 1.749 ppm2 1.493 CV 1 ASSI { 449} (( segid " " and resid 1185 and name HA )) (( segid " " and resid 1185 and name HB3 )) 2.600 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.35174E-02 ppm1 3.874 ppm2 1.495 CV 1 OR { 449} (( segid " " and resid 1185 and name HA )) (( segid " " and resid 1185 and name HG )) ASSI { 450} (( segid " " and resid 1185 and name HA )) (( segid " " and resid 1185 and name HB2 )) 2.900 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.18723E-02 ppm1 3.872 ppm2 1.750 CV 1 ASSI { 451} (( segid " " and resid 1054 and name HA )) (( segid " " and resid 1057 and name HB )) 2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.25365E-02 ppm1 3.891 ppm2 2.151 CV 1 ASSI { 452} (( segid " " and resid 1122 and name HG3 )) (( segid " " and resid 1122 and name HG2 )) 2.000 0.500 0.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.76059E-02 ppm1 1.485 ppm2 1.769 CV 1 ASSI { 453} (( segid " " and resid 1185 and name HA )) (( segid " " and resid 1185 and name H )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 3.882 ppm2 7.965 CV 1 ASSI { 456} (( segid " " and resid 1185 and name HB3 )) (( segid " " and resid 1185 and name H )) 3.300 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.17897E-02 ppm1 1.493 ppm2 7.937 CV 1 ASSI { 458} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name H )) 2.700 0.900 0.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.17002E-02 ppm1 1.751 ppm2 7.934 CV 1 ASSI { 460} ( segid " " and resid 1185 and name HD1%) (( segid " " and resid 1185 and name H )) 3.700 1.700 1.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.12769E-02 ppm1 0.772 ppm2 7.939 CV 1 ASSI { 461} ( segid " " and resid 1185 and name HD1%) (( segid " " and resid 1186 and name H )) 3.800 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.89480E-03 ppm1 0.769 ppm2 7.820 CV 1 ASSI { 462} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1185 and name H )) 3.300 1.300 1.300 peak 462 spectrum 1 weight 0.10000E+01 volume 0.22646E-02 ppm1 0.737 ppm2 7.949 CV 1 ASSI { 463} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1186 and name H )) 3.700 1.700 1.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 0.739 ppm2 7.824 CV 1 ASSI { 468} (( segid " " and resid 1185 and name HB3 )) (( segid " " and resid 1185 and name HA )) 2.700 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.27602E-02 ppm1 1.492 ppm2 3.886 CV 1 ASSI { 469} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1168 and name HG2 )) 2.600 0.800 0.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.52829E-02 ppm1 0.738 ppm2 2.134 CV 1 OR { 469} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1168 and name HB3 )) ASSI { 470} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1185 and name HB2 )) 2.600 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.45120E-02 ppm1 0.738 ppm2 1.750 CV 1 ASSI { 471} ( segid " " and resid 1185 and name HD1%) (( segid " " and resid 1185 and name HG )) 2.200 0.600 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.10043E-01 ppm1 0.770 ppm2 1.491 CV 1 OR { 471} ( segid " " and resid 1185 and name HD1%) (( segid " " and resid 1185 and name HB3 )) ASSI { 472} ( segid " " and resid 1185 and name HD1%) (( segid " " and resid 1185 and name HB2 )) 2.600 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.42022E-02 ppm1 0.770 ppm2 1.754 CV 1 ASSI { 474} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1185 and name HG )) 2.100 0.600 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.12837E-01 ppm1 0.735 ppm2 1.490 CV 1 OR { 474} ( segid " " and resid 1185 and name HD2%) (( segid " " and resid 1185 and name HB3 )) ASSI { 477} (( segid " " and resid 1181 and name HB3 )) (( segid " " and resid 1181 and name H )) 2.700 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.34175E-02 ppm1 3.822 ppm2 7.844 CV 1 ASSI { 478} (( segid " " and resid 1181 and name HB2 )) (( segid " " and resid 1181 and name H )) 2.800 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.22233E-02 ppm1 4.018 ppm2 7.834 CV 1 ASSI { 479} (( segid " " and resid 1181 and name HB2 )) (( segid " " and resid 1181 and name HB3 )) 2.000 0.500 0.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.65942E-02 ppm1 4.015 ppm2 3.817 CV 1 ASSI { 481} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1181 and name HB3 )) 3.000 1.100 1.100 peak 481 spectrum 1 weight 0.10000E+01 volume 0.23506E-02 ppm1 4.114 ppm2 3.817 CV 1 ASSI { 482} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1181 and name HB2 )) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.28910E-02 ppm1 4.115 ppm2 4.019 CV 1 ASSI { 483} (( segid " " and resid 1181 and name HB2 )) (( segid " " and resid 1178 and name HB3 )) 3.100 1.200 1.200 peak 483 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 4.014 ppm2 2.960 CV 1 ASSI { 484} (( segid " " and resid 1181 and name HB2 )) (( segid " " and resid 1178 and name HB2 )) 3.300 1.300 1.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.96020E-03 ppm1 4.020 ppm2 2.620 CV 1 ASSI { 485} (( segid " " and resid 1181 and name HB3 )) (( segid " " and resid 1178 and name HB3 )) 3.500 1.500 1.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 3.819 ppm2 2.965 CV 1 ASSI { 486} (( segid " " and resid 1181 and name HB3 )) (( segid " " and resid 1178 and name HB2 )) 3.700 1.800 1.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 3.813 ppm2 2.619 CV 1 ASSI { 487} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1184 and name HG3 )) 3.200 1.300 1.300 peak 487 spectrum 1 weight 0.10000E+01 volume 0.94989E-03 ppm1 4.112 ppm2 1.425 CV 1 ASSI { 488} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1184 and name HB2 )) 3.000 1.200 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.12149E-02 ppm1 4.113 ppm2 1.857 CV 1 ASSI { 489} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1184 and name HB3 )) 4.200 2.200 1.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.90171E-03 ppm1 4.112 ppm2 1.757 CV 1 ASSI { 493} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HG3 )) 3.400 1.400 1.400 peak 493 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 4.252 ppm2 2.095 CV 1 ASSI { 494} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HB3 )) 2.400 0.700 0.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.53690E-02 ppm1 4.253 ppm2 1.957 CV 1 ASSI { 495} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HB2 )) 2.500 0.800 0.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.66111E-02 ppm1 4.252 ppm2 2.303 CV 1 ASSI { 496} (( segid " " and resid 1145 and name HB3 )) (( segid " " and resid 1145 and name HB2 )) 1.800 0.400 0.400 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13969E-01 ppm1 1.953 ppm2 2.384 CV 1 ASSI { 497} (( segid " " and resid 1179 and name HB3 )) (( segid " " and resid 1179 and name HB2 )) 1.800 0.400 0.400 peak 497 spectrum 1 weight 0.10000E+01 volume 0.11733E-01 ppm1 1.949 ppm2 2.301 CV 1 ASSI { 501} (( segid " " and resid 1179 and name HB2 )) (( segid " " and resid 1179 and name HB3 )) 1.800 0.400 0.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.13914E-01 ppm1 2.299 ppm2 1.955 CV 1 OR { 501} (( segid " " and resid 1179 and name HB2 )) (( segid " " and resid 1179 and name HG2 )) ASSI { 507} (( segid " " and resid 1179 and name HD2 )) (( segid " " and resid 1179 and name HB2 )) 4.100 2.100 1.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 3.910 ppm2 2.297 CV 1 ASSI { 509} (( segid " " and resid 1179 and name HD3 )) (( segid " " and resid 1178 and name HB2 )) 4.500 2.500 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.72962E-03 ppm1 4.135 ppm2 2.607 CV 1 ASSI { 510} (( segid " " and resid 1145 and name HB2 )) (( segid " " and resid 1145 and name HA )) 2.400 0.700 0.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.69970E-02 ppm1 2.383 ppm2 4.323 CV 1 ASSI { 512} (( segid " " and resid 1145 and name HB2 )) (( segid " " and resid 1145 and name HD2 )) 3.700 1.700 1.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 2.382 ppm2 4.211 CV 1 ASSI { 513} (( segid " " and resid 1179 and name HB2 )) (( segid " " and resid 1179 and name HD3 )) 3.900 1.900 1.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.14627E-02 ppm1 2.300 ppm2 4.136 CV 1 ASSI { 515} (( segid " " and resid 1145 and name HB2 )) (( segid " " and resid 1145 and name HD3 )) 3.900 1.900 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 2.384 ppm2 3.900 CV 1 ASSI { 516} (( segid " " and resid 1179 and name HD3 )) (( segid " " and resid 1179 and name HD2 )) 2.000 0.500 0.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.70655E-02 ppm1 4.134 ppm2 3.909 CV 1 ASSI { 517} (( segid " " and resid 1145 and name HD2 )) (( segid " " and resid 1145 and name HD3 )) 1.900 0.500 0.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.80878E-02 ppm1 4.212 ppm2 3.898 CV 1 ASSI { 520} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HD2 )) 3.400 1.500 1.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.15143E-02 ppm1 4.253 ppm2 3.897 CV 1 ASSI { 522} (( segid " " and resid 1145 and name HB3 )) (( segid " " and resid 1145 and name HA )) 2.300 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.57269E-02 ppm1 1.953 ppm2 4.318 CV 1 ASSI { 524} (( segid " " and resid 1145 and name HD2 )) (( segid " " and resid 1144 and name HA )) 2.400 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.51143E-02 ppm1 4.212 ppm2 4.959 CV 1 ASSI { 525} (( segid " " and resid 1179 and name HD3 )) (( segid " " and resid 1178 and name HA )) 2.500 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.46841E-02 ppm1 4.135 ppm2 4.948 CV 1 ASSI { 528} (( segid " " and resid 1179 and name HG3 )) (( segid " " and resid 1179 and name HD3 )) 2.400 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.34898E-02 ppm1 2.090 ppm2 4.138 CV 1 ASSI { 530} (( segid " " and resid 1179 and name HG2 )) (( segid " " and resid 1179 and name HD3 )) 3.000 1.100 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.39303E-02 ppm1 1.976 ppm2 4.136 CV 1 ASSI { 531} (( segid " " and resid 1179 and name HG2 )) (( segid " " and resid 1180 and name HA )) 3.400 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.17105E-02 ppm1 1.957 ppm2 4.045 CV 1 ASSI { 533} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1175 and name HA )) 4.100 2.100 1.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 1.961 ppm2 4.994 CV 1 OR { 533} (( segid " " and resid 1176 and name HG3 )) (( segid " " and resid 1175 and name HA )) ASSI { 534} (( segid " " and resid 1179 and name HG2 )) (( segid " " and resid 1178 and name HA )) 4.100 2.100 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 1.978 ppm2 4.957 CV 1 ASSI { 535} (( segid " " and resid 1145 and name HB3 )) (( segid " " and resid 1144 and name HA )) 4.000 2.000 2.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 1.951 ppm2 4.950 CV 1 ASSI { 536} (( segid " " and resid 1145 and name HD3 )) (( segid " " and resid 1146 and name H )) 3.300 3.300 2.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16210E-02 ppm1 3.899 ppm2 8.260 CV 1 ASSI { 539} (( segid " " and resid 1179 and name HG3 )) (( segid " " and resid 1180 and name H )) 4.000 2.000 2.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 2.090 ppm2 8.149 CV 1 ASSI { 541} (( segid " " and resid 1179 and name HB2 )) (( segid " " and resid 1180 and name H )) 3.300 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 2.299 ppm2 8.160 CV 1 ASSI { 542} (( segid " " and resid 1179 and name HB3 )) (( segid " " and resid 1180 and name H )) 3.800 1.800 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 1.948 ppm2 8.152 CV 1 ASSI { 543} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1180 and name H )) 3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.11839E-02 ppm1 4.254 ppm2 8.148 CV 1 ASSI { 544} (( segid " " and resid 1078 and name HB3 )) (( segid " " and resid 1079 and name H )) 3.600 1.600 1.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 1.952 ppm2 8.843 CV 1 ASSI { 545} (( segid " " and resid 1179 and name HG3 )) (( segid " " and resid 1179 and name HB2 )) 2.600 0.800 0.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.51762E-02 ppm1 2.089 ppm2 2.298 CV 1 ASSI { 546} (( segid " " and resid 1179 and name HG2 )) (( segid " " and resid 1179 and name HB2 )) 2.200 0.600 0.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.57716E-02 ppm1 1.977 ppm2 2.297 CV 1 ASSI { 547} (( segid " " and resid 1178 and name HA )) (( segid " " and resid 1178 and name HB2 )) 2.800 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.29701E-02 ppm1 4.946 ppm2 2.605 CV 1 ASSI { 548} (( segid " " and resid 1178 and name HA )) (( segid " " and resid 1178 and name HB3 )) 2.800 1.000 1.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.21407E-02 ppm1 4.948 ppm2 2.960 CV 1 ASSI { 549} (( segid " " and resid 1178 and name HB3 )) (( segid " " and resid 1178 and name HB2 )) 2.100 0.500 0.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.66527E-02 ppm1 2.956 ppm2 2.606 CV 1 ASSI { 553} (( segid " " and resid 1178 and name HB2 )) (( segid " " and resid 1179 and name HD2 )) 3.800 1.800 1.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.99117E-03 ppm1 2.608 ppm2 3.909 CV 1 ASSI { 566} (( segid " " and resid 1176 and name HA )) (( segid " " and resid 1176 and name HB2 )) 2.800 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.42160E-02 ppm1 4.363 ppm2 1.908 CV 1 ASSI { 568} (( segid " " and resid 1176 and name HB2 )) (( segid " " and resid 1177 and name H )) 3.500 1.500 1.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.78472E-03 ppm1 1.900 ppm2 8.646 CV 1 ASSI { 569} (( segid " " and resid 1204 and name HB3 )) (( segid " " and resid 1206 and name H )) 3.900 1.900 1.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.91201E-03 ppm1 2.225 ppm2 8.086 CV 1 ASSI { 572} (( segid " " and resid 1176 and name HB3 )) (( segid " " and resid 1176 and name HD3 )) 2.900 1.100 1.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.22164E-02 ppm1 2.218 ppm2 3.510 CV 1 ASSI { 573} (( segid " " and resid 1176 and name HA )) (( segid " " and resid 1176 and name HD3 )) 3.400 1.400 1.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 4.365 ppm2 3.519 CV 1 ASSI { 574} (( segid " " and resid 1175 and name HA )) (( segid " " and resid 1176 and name HD3 )) 2.300 0.700 0.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.54171E-02 ppm1 5.008 ppm2 3.515 CV 1 ASSI { 575} (( segid " " and resid 1175 and name HA )) (( segid " " and resid 1176 and name HD2 )) 2.600 0.800 0.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.43640E-02 ppm1 5.009 ppm2 3.429 CV 1 ASSI { 576} (( segid " " and resid 1175 and name HA )) (( segid " " and resid 1175 and name HB2 )) 2.900 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.34864E-02 ppm1 5.008 ppm2 3.256 CV 1 ASSI { 577} (( segid " " and resid 1175 and name HA )) (( segid " " and resid 1175 and name HB3 )) 2.600 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.26948E-02 ppm1 5.009 ppm2 3.007 CV 1 ASSI { 579} (( segid " " and resid 1175 and name HA )) (( segid " " and resid 1175 and name H )) 2.700 0.900 0.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 5.007 ppm2 7.573 CV 1 ASSI { 580} (( segid " " and resid 1175 and name HB3 )) (( segid " " and resid 1175 and name H )) 3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.21579E-02 ppm1 3.006 ppm2 7.572 CV 1 ASSI { 581} (( segid " " and resid 1175 and name HB2 )) (( segid " " and resid 1175 and name H )) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 3.256 ppm2 7.571 CV 1 ASSI { 583} (( segid " " and resid 1175 and name HB2 )) (( segid " " and resid 1175 and name HD2 )) 3.400 1.400 1.400 peak 583 spectrum 1 weight 0.10000E+01 volume 0.65737E-03 ppm1 3.254 ppm2 7.178 CV 1 ASSI { 586} (( segid " " and resid 1175 and name HB3 )) (( segid " " and resid 1172 and name HA )) 4.100 2.100 1.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 3.013 ppm2 4.052 CV 1 ASSI { 587} (( segid " " and resid 1175 and name HB2 )) (( segid " " and resid 1172 and name HA )) 3.500 1.500 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.78472E-03 ppm1 3.264 ppm2 4.049 CV 1 ASSI { 588} (( segid " " and resid 1175 and name HB3 )) (( segid " " and resid 1176 and name HD3 )) 4.300 2.300 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.65737E-03 ppm1 3.004 ppm2 3.518 CV 1 ASSI { 590} (( segid " " and resid 1175 and name HB2 )) (( segid " " and resid 1176 and name HD3 )) 4.800 2.900 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.81224E-03 ppm1 3.256 ppm2 3.510 CV 1 ASSI { 591} (( segid " " and resid 1175 and name HB2 )) (( segid " " and resid 1175 and name HB3 )) 1.900 0.400 0.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.98807E-02 ppm1 3.258 ppm2 3.004 CV 1 ASSI { 592} (( segid " " and resid 1175 and name HB3 )) (( segid " " and resid 1178 and name HB2 )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.93268E-03 ppm1 3.007 ppm2 2.602 CV 1 ASSI { 593} (( segid " " and resid 1175 and name HB2 )) (( segid " " and resid 1178 and name HB2 )) 3.300 1.300 1.300 peak 593 spectrum 1 weight 0.10000E+01 volume 0.13560E-02 ppm1 3.257 ppm2 2.609 CV 1 ASSI { 594} (( segid " " and resid 1174 and name HA3 )) (( segid " " and resid 1174 and name HA2 )) 2.000 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.86107E-02 ppm1 3.977 ppm2 3.701 CV 1 ASSI { 596} (( segid " " and resid 1174 and name HA3 )) (( segid " " and resid 1174 and name H )) 2.800 1.000 1.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.26019E-02 ppm1 3.976 ppm2 7.857 CV 1 ASSI { 597} (( segid " " and resid 1174 and name HA3 )) (( segid " " and resid 1175 and name H )) 3.400 1.500 1.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 3.982 ppm2 7.567 CV 1 ASSI { 598} (( segid " " and resid 1174 and name HA2 )) (( segid " " and resid 1174 and name H )) 2.800 1.000 1.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.31525E-02 ppm1 3.699 ppm2 7.857 CV 1 ASSI { 599} (( segid " " and resid 1174 and name HA2 )) (( segid " " and resid 1175 and name H )) 3.400 1.400 1.400 peak 599 spectrum 1 weight 0.10000E+01 volume 0.12493E-02 ppm1 3.700 ppm2 7.569 CV 1 ASSI { 600} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1175 and name H )) 3.700 1.700 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.73653E-03 ppm1 4.053 ppm2 7.569 CV 1 ASSI { 601} (( segid " " and resid 1173 and name HB3 )) (( segid " " and resid 1173 and name H )) 2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.52691E-02 ppm1 3.831 ppm2 7.981 CV 1 OR { 601} (( segid " " and resid 1173 and name HB2 )) (( segid " " and resid 1173 and name H )) ASSI { 602} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1173 and name H )) 2.800 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.26501E-02 ppm1 4.051 ppm2 7.979 CV 1 ASSI { 603} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1174 and name H )) 2.900 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.21716E-02 ppm1 4.051 ppm2 7.859 CV 1 ASSI { 604} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1173 and name HB3 )) 2.400 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.71036E-02 ppm1 4.052 ppm2 3.835 CV 1 OR { 604} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1173 and name HB2 )) ASSI { 607} ( segid " " and resid 1172 and name HB% ) ( segid " " and resid 1185 and name HD2%) 2.200 0.600 0.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.13064E-01 ppm1 1.423 ppm2 0.746 CV 1 ASSI { 608} ( segid " " and resid 1172 and name HB% ) (( segid " " and resid 1172 and name HA )) 2.100 0.600 0.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.12989E-01 ppm1 1.423 ppm2 4.063 CV 1 ASSI { 609} ( segid " " and resid 1172 and name HB% ) (( segid " " and resid 1169 and name HA )) 2.300 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.71621E-02 ppm1 1.422 ppm2 3.873 CV 1 ASSI { 610} ( segid " " and resid 1172 and name HB% ) (( segid " " and resid 1171 and name H )) 3.900 1.900 1.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 1.424 ppm2 7.408 CV 1 ASSI { 611} (( segid " " and resid 1172 and name HA )) (( segid " " and resid 1175 and name H )) 3.700 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.75374E-03 ppm1 4.065 ppm2 7.576 CV 1 ASSI { 612} ( segid " " and resid 1172 and name HB% ) (( segid " " and resid 1173 and name H )) 2.800 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.34003E-02 ppm1 1.423 ppm2 7.980 CV 1 ASSI { 613} ( segid " " and resid 1172 and name HB% ) (( segid " " and resid 1172 and name H )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.90241E-02 ppm1 1.423 ppm2 8.519 CV 1 ASSI { 614} (( segid " " and resid 1172 and name HA )) (( segid " " and resid 1172 and name H )) 2.800 0.900 0.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.27602E-02 ppm1 4.066 ppm2 8.518 CV 1 ASSI { 615} (( segid " " and resid 1172 and name HA )) (( segid " " and resid 1173 and name H )) 3.600 1.600 1.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.70895E-03 ppm1 4.069 ppm2 7.984 CV 1 ASSI { 616} ( segid " " and resid 1169 and name HB% ) (( segid " " and resid 1169 and name H )) 2.300 0.600 0.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.91031E-02 ppm1 1.431 ppm2 8.915 CV 1 ASSI { 618} (( segid " " and resid 1169 and name HA )) (( segid " " and resid 1170 and name H )) 3.400 1.400 1.400 peak 618 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 3.880 ppm2 8.311 CV 1 ASSI { 619} (( segid " " and resid 1169 and name HA )) ( segid " " and resid 1185 and name HD2%) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.55858E-02 ppm1 3.884 ppm2 0.737 CV 1 ASSI { 620} (( segid " " and resid 1168 and name HA )) (( segid " " and resid 1168 and name H )) 2.800 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.27051E-02 ppm1 4.015 ppm2 8.337 CV 1 ASSI { 621} (( segid " " and resid 1168 and name HA )) (( segid " " and resid 1169 and name H )) 3.400 1.400 1.400 peak 621 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 4.016 ppm2 8.916 CV 1 ASSI { 622} (( segid " " and resid 1168 and name HA )) (( segid " " and resid 1171 and name H )) 3.300 1.300 1.300 peak 622 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 4.017 ppm2 7.409 CV 1 ASSI { 623} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HB2 )) 2.600 0.900 0.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.30183E-02 ppm1 3.994 ppm2 1.735 CV 1 OR { 623} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HB3 )) ASSI { 624} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HG2 )) 2.800 1.000 1.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.34623E-02 ppm1 3.994 ppm2 1.423 CV 1 OR { 624} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HD2 )) ASSI { 626} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1054 and name H )) 2.900 1.000 1.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.24883E-02 ppm1 0.665 ppm2 7.978 CV 1 ASSI { 627} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1166 and name H )) 3.300 1.400 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.38615E-02 ppm1 0.667 ppm2 8.209 CV 1 ASSI { 628} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1124 and name H )) 3.000 3.000 3.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.79502E-03 ppm1 0.665 ppm2 8.559 CV 1 ASSI { 629} (( segid " " and resid 1166 and name HG12)) (( segid " " and resid 1166 and name H )) 3.800 1.800 1.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.16210E-02 ppm1 0.986 ppm2 8.203 CV 1 ASSI { 630} (( segid " " and resid 1166 and name HG13)) (( segid " " and resid 1166 and name H )) 2.400 0.700 0.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.22095E-02 ppm1 1.699 ppm2 8.205 CV 1 ASSI { 631} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1166 and name H )) 3.300 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.38890E-02 ppm1 0.915 ppm2 8.212 CV 1 ASSI { 632} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1054 and name H )) 2.700 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.32420E-02 ppm1 0.914 ppm2 7.981 CV 1 ASSI { 633} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1055 and name H )) 2.900 2.900 3.100 peak 633 spectrum 1 weight 0.10000E+01 volume 0.91892E-03 ppm1 0.908 ppm2 7.821 CV 1 ASSI { 634} (( segid " " and resid 1166 and name HA )) (( segid " " and resid 1169 and name H )) 3.400 1.400 1.400 peak 634 spectrum 1 weight 0.10000E+01 volume 0.93613E-03 ppm1 3.501 ppm2 8.911 CV 1 ASSI { 635} (( segid " " and resid 1166 and name HA )) (( segid " " and resid 1166 and name H )) 2.900 1.000 1.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.18344E-02 ppm1 3.500 ppm2 8.212 CV 1 ASSI { 636} (( segid " " and resid 1166 and name HB )) (( segid " " and resid 1054 and name HA )) 3.300 1.300 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.12527E-02 ppm1 1.902 ppm2 3.921 CV 1 ASSI { 638} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1054 and name HA )) 2.300 0.700 0.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.64460E-02 ppm1 0.666 ppm2 3.913 CV 1 ASSI { 640} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1166 and name HA )) 3.400 1.500 1.500 peak 640 spectrum 1 weight 0.10000E+01 volume 0.36240E-02 ppm1 0.666 ppm2 3.503 CV 1 ASSI { 641} (( segid " " and resid 1166 and name HG12)) (( segid " " and resid 1054 and name HA )) 4.300 2.300 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.72277E-03 ppm1 0.986 ppm2 3.923 CV 1 ASSI { 642} (( segid " " and resid 1166 and name HG12)) (( segid " " and resid 1166 and name HA )) 3.000 1.100 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 0.990 ppm2 3.501 CV 1 ASSI { 643} (( segid " " and resid 1166 and name HG13)) (( segid " " and resid 1166 and name HA )) 3.300 1.300 1.300 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14111E-02 ppm1 1.702 ppm2 3.501 CV 1 ASSI { 644} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1054 and name HA )) 2.600 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.55273E-02 ppm1 0.914 ppm2 3.923 CV 1 ASSI { 645} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1166 and name HA )) 2.400 0.700 0.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.54791E-02 ppm1 0.914 ppm2 3.502 CV 1 ASSI { 647} (( segid " " and resid 1166 and name HB )) (( segid " " and resid 1166 and name HG13)) 3.000 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 1.897 ppm2 1.709 CV 1 ASSI { 648} (( segid " " and resid 1166 and name HG12)) (( segid " " and resid 1166 and name HB )) 3.400 1.400 1.400 peak 648 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 0.986 ppm2 1.906 CV 1 ASSI { 649} (( segid " " and resid 1166 and name HG12)) (( segid " " and resid 1166 and name HG13)) 2.100 0.500 0.500 peak 649 spectrum 1 weight 0.10000E+01 volume 0.40542E-02 ppm1 0.986 ppm2 1.701 CV 1 ASSI { 650} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1124 and name HB )) 3.000 1.100 1.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.16967E-02 ppm1 0.665 ppm2 2.504 CV 1 ASSI { 651} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1165 and name HB3 )) 2.800 2.800 3.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.13319E-02 ppm1 0.665 ppm2 2.284 CV 1 ASSI { 652} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1057 and name HB )) 3.000 1.100 1.100 peak 652 spectrum 1 weight 0.10000E+01 volume 0.20512E-02 ppm1 0.667 ppm2 2.161 CV 1 ASSI { 653} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1166 and name HB )) 2.400 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.59917E-02 ppm1 0.666 ppm2 1.903 CV 1 ASSI { 654} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1166 and name HG13)) 2.200 0.600 0.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.77506E-02 ppm1 0.666 ppm2 1.703 CV 1 ASSI { 655} ( segid " " and resid 1166 and name HD1%) (( segid " " and resid 1054 and name HB2 )) 2.900 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.25950E-02 ppm1 0.665 ppm2 1.573 CV 1 ASSI { 656} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1050 and name HG2 )) 3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 0.914 ppm2 2.571 CV 1 ASSI { 657} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1167 and name HG2 )) 3.200 1.200 1.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15866E-02 ppm1 0.915 ppm2 2.360 CV 1 ASSI { 658} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1165 and name HB3 )) 4.100 2.100 1.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.87419E-03 ppm1 0.911 ppm2 2.284 CV 1 ASSI { 659} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1050 and name HB3 )) 2.700 0.900 0.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.19308E-02 ppm1 0.914 ppm2 2.150 CV 1 ASSI { 660} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1166 and name HB )) 2.100 0.600 0.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.97882E-02 ppm1 0.914 ppm2 1.898 CV 1 ASSI { 661} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1166 and name HG13)) 3.000 1.200 1.200 peak 661 spectrum 1 weight 0.10000E+01 volume 0.49491E-02 ppm1 0.914 ppm2 1.713 CV 1 ASSI { 662} ( segid " " and resid 1166 and name HG2%) (( segid " " and resid 1054 and name HB2 )) 2.200 0.600 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.62674E-02 ppm1 0.914 ppm2 1.569 CV 1 ASSI { 663} ( segid " " and resid 1166 and name HG2%) ( segid " " and resid 1121 and name HB% ) 2.600 0.800 0.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.50455E-02 ppm1 0.914 ppm2 1.422 CV 1 ASSI { 664} ( segid " " and resid 1166 and name HD1%) ( segid " " and resid 1053 and name HB% ) 2.300 0.600 0.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.78501E-02 ppm1 0.666 ppm2 1.362 CV 1 ASSI { 665} (( segid " " and resid 1166 and name HA )) ( segid " " and resid 1169 and name HB% ) 2.800 1.000 1.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.26363E-02 ppm1 3.501 ppm2 1.430 CV 1 ASSI { 670} ( segid " " and resid 1166 and name HD1%) ( segid " " and resid 1057 and name HG2%) 1.900 0.400 0.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.22133E-01 ppm1 0.666 ppm2 0.948 CV 1 ASSI { 671} (( segid " " and resid 1166 and name HG12)) ( segid " " and resid 1166 and name HD1%) 2.900 1.000 1.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 0.988 ppm2 0.669 CV 1 ASSI { 672} (( segid " " and resid 1166 and name HG12)) ( segid " " and resid 1124 and name HG2%) 2.900 1.100 1.100 peak 672 spectrum 1 weight 0.10000E+01 volume 0.12975E-02 ppm1 0.984 ppm2 0.746 CV 1 ASSI { 674} ( segid " " and resid 1166 and name HG2%) ( segid " " and resid 1166 and name HD1%) 2.400 0.700 0.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 0.915 ppm2 0.672 CV 1 ASSI { 675} (( segid " " and resid 1165 and name HB2 )) (( segid " " and resid 1166 and name H )) 4.200 2.200 1.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.56443E-03 ppm1 1.339 ppm2 8.205 CV 1 ASSI { 677} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1165 and name H )) 3.800 1.800 1.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.16073E-02 ppm1 0.867 ppm2 7.962 CV 1 ASSI { 678} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1166 and name H )) 3.700 1.700 1.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.11770E-02 ppm1 0.868 ppm2 8.203 CV 1 ASSI { 679} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1189 and name H )) 3.400 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 0.866 ppm2 8.543 CV 1 ASSI { 680} ( segid " " and resid 1165 and name HD2%) (( segid " " and resid 1165 and name H )) 3.500 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.23988E-02 ppm1 0.842 ppm2 7.968 CV 1 ASSI { 681} ( segid " " and resid 1165 and name HD2%) (( segid " " and resid 1189 and name H )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.27086E-02 ppm1 0.842 ppm2 8.538 CV 1 ASSI { 683} (( segid " " and resid 1165 and name HA )) (( segid " " and resid 1168 and name H )) 3.400 1.500 1.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.74683E-03 ppm1 3.939 ppm2 8.330 CV 1 ASSI { 688} ( segid " " and resid 1165 and name HD2%) (( segid " " and resid 1165 and name HA )) 2.200 0.600 0.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.14107E-01 ppm1 0.841 ppm2 3.919 CV 1 ASSI { 689} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1102 and name HA )) 3.400 1.400 1.400 peak 689 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 0.866 ppm2 3.377 CV 1 ASSI { 692} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1165 and name HB3 )) 2.700 0.900 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.38821E-02 ppm1 0.867 ppm2 2.287 CV 1 ASSI { 694} (( segid " " and resid 1165 and name HB3 )) ( segid " " and resid 1165 and name HD1%) 3.000 1.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.16279E-02 ppm1 2.288 ppm2 0.851 CV 1 OR { 694} (( segid " " and resid 1165 and name HB3 )) ( segid " " and resid 1165 and name HD2%) ASSI { 695} (( segid " " and resid 1165 and name HB3 )) (( segid " " and resid 1165 and name HB2 )) 2.400 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 2.287 ppm2 1.357 CV 1 ASSI { 696} (( segid " " and resid 1165 and name HA )) (( segid " " and resid 1165 and name HB2 )) 2.700 0.900 0.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.22955E-02 ppm1 3.932 ppm2 1.367 CV 1 ASSI { 700} (( segid " " and resid 1165 and name HG )) (( segid " " and resid 1165 and name H )) 4.300 2.300 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.60572E-03 ppm1 1.399 ppm2 7.964 CV 1 ASSI { 702} (( segid " " and resid 1165 and name HG )) (( segid " " and resid 1165 and name HB3 )) 3.200 1.300 1.300 peak 702 spectrum 1 weight 0.10000E+01 volume 0.97396E-03 ppm1 1.398 ppm2 2.287 CV 1 ASSI { 703} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1102 and name HG13)) 4.000 2.000 2.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.83285E-03 ppm1 0.871 ppm2 2.039 CV 1 ASSI { 704} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1102 and name HB )) 3.300 1.300 1.300 peak 704 spectrum 1 weight 0.10000E+01 volume 0.99808E-03 ppm1 0.866 ppm2 1.852 CV 1 ASSI { 707} (( segid " " and resid 1069 and name HA )) (( segid " " and resid 1072 and name HB3 )) 2.300 0.700 0.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.52072E-02 ppm1 3.934 ppm2 1.908 CV 1 ASSI { 708} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1128 and name HG )) 3.500 1.600 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 1.348 ppm2 1.955 CV 1 ASSI { 709} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1166 and name HG13)) 3.000 1.100 1.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 1.348 ppm2 1.711 CV 1 ASSI { 711} ( segid " " and resid 1162 and name HB% ) ( segid " " and resid 1192 and name HG1%) 2.300 0.700 0.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.83256E-02 ppm1 1.347 ppm2 0.847 CV 1 ASSI { 712} ( segid " " and resid 1162 and name HB% ) ( segid " " and resid 1128 and name HD1%) 2.100 0.600 0.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11423E-01 ppm1 1.348 ppm2 0.676 CV 1 ASSI { 714} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1162 and name HA )) 2.200 0.600 0.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.78747E-02 ppm1 1.347 ppm2 3.915 CV 1 ASSI { 715} (( segid " " and resid 1069 and name HA )) (( segid " " and resid 1069 and name H )) 2.300 0.700 0.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.90926E-02 ppm1 3.935 ppm2 7.518 CV 1 ASSI { 717} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1163 and name H )) 2.700 0.900 0.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.34382E-02 ppm1 1.347 ppm2 8.284 CV 1 ASSI { 718} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1161 and name H )) 3.700 1.700 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.15591E-02 ppm1 1.347 ppm2 8.190 CV 1 ASSI { 719} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1165 and name H )) 3.900 1.900 1.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.78126E-03 ppm1 1.343 ppm2 7.984 CV 1 ASSI { 720} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1162 and name H )) 2.200 0.600 0.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.79397E-02 ppm1 1.348 ppm2 9.163 CV 1 ASSI { 722} (( segid " " and resid 1063 and name HA )) (( segid " " and resid 1063 and name H )) 2.500 0.800 0.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.47598E-02 ppm1 4.309 ppm2 8.267 CV 1 ASSI { 723} (( segid " " and resid 1160 and name HA )) (( segid " " and resid 1161 and name H )) 3.300 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.10945E-02 ppm1 4.278 ppm2 8.190 CV 1 ASSI { 725} (( segid " " and resid 1160 and name HB2 )) (( segid " " and resid 1161 and name H )) 2.600 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.30768E-02 ppm1 2.811 ppm2 8.188 CV 1 OR { 725} (( segid " " and resid 1160 and name HB3 )) (( segid " " and resid 1161 and name H )) ASSI { 726} (( segid " " and resid 1160 and name HB3 )) (( segid " " and resid 1160 and name H )) 2.400 0.700 0.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.57957E-02 ppm1 2.809 ppm2 8.014 CV 1 OR { 726} (( segid " " and resid 1160 and name HB2 )) (( segid " " and resid 1160 and name H )) ASSI { 727} (( segid " " and resid 1160 and name HB3 )) (( segid " " and resid 1157 and name HA )) 2.700 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.31078E-02 ppm1 2.812 ppm2 4.505 CV 1 OR { 727} (( segid " " and resid 1160 and name HB2 )) (( segid " " and resid 1157 and name HA )) ASSI { 731} (( segid " " and resid 1160 and name HA )) (( segid " " and resid 1160 and name HB3 )) 2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.79502E-02 ppm1 4.280 ppm2 2.811 CV 1 OR { 731} (( segid " " and resid 1160 and name HA )) (( segid " " and resid 1160 and name HB2 )) ASSI { 732} (( segid " " and resid 1159 and name HA )) (( segid " " and resid 1159 and name H )) 2.800 1.000 1.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.16933E-02 ppm1 3.806 ppm2 7.533 CV 1 ASSI { 734} ( segid " " and resid 1159 and name HD2%) (( segid " " and resid 1159 and name H )) 3.100 1.200 1.200 peak 734 spectrum 1 weight 0.10000E+01 volume 0.28531E-02 ppm1 0.792 ppm2 7.535 CV 1 ASSI { 735} ( segid " " and resid 1159 and name HD1%) (( segid " " and resid 1159 and name H )) 3.400 1.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.31388E-02 ppm1 0.863 ppm2 7.538 CV 1 ASSI { 737} ( segid " " and resid 1159 and name HD2%) (( segid " " and resid 1061 and name H )) 3.100 1.200 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.15453E-02 ppm1 0.792 ppm2 8.228 CV 1 ASSI { 738} (( segid " " and resid 1159 and name HB3 )) (( segid " " and resid 1159 and name HA )) 3.000 1.100 1.100 peak 738 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 1.355 ppm2 3.815 CV 1 ASSI { 740} ( segid " " and resid 1159 and name HD2%) (( segid " " and resid 1061 and name HA )) 2.400 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.51521E-02 ppm1 0.792 ppm2 3.833 CV 1 ASSI { 741} ( segid " " and resid 1159 and name HD1%) (( segid " " and resid 1159 and name HA )) 2.700 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.81909E-02 ppm1 0.861 ppm2 3.807 CV 1 ASSI { 742} (( segid " " and resid 1159 and name HB3 )) (( segid " " and resid 1159 and name HB2 )) 2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.21407E-02 ppm1 1.354 ppm2 2.024 CV 1 ASSI { 743} (( segid " " and resid 1159 and name HA )) (( segid " " and resid 1159 and name HB2 )) 2.700 0.900 0.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 3.804 ppm2 2.015 CV 1 ASSI { 744} ( segid " " and resid 1159 and name HD2%) (( segid " " and resid 1159 and name HG )) 2.100 0.600 0.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.79778E-02 ppm1 0.792 ppm2 1.988 CV 1 ASSI { 745} ( segid " " and resid 1159 and name HD2%) (( segid " " and resid 1061 and name HB2 )) 3.000 1.100 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.34760E-02 ppm1 0.792 ppm2 2.192 CV 1 ASSI { 746} ( segid " " and resid 1159 and name HD1%) (( segid " " and resid 1159 and name HG )) 2.100 0.500 0.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.95850E-02 ppm1 0.862 ppm2 1.973 CV 1 ASSI { 748} (( segid " " and resid 1159 and name HB2 )) ( segid " " and resid 1057 and name HG1%) 3.300 1.400 1.400 peak 748 spectrum 1 weight 0.10000E+01 volume 0.66082E-03 ppm1 2.035 ppm2 0.952 CV 1 ASSI { 749} ( segid " " and resid 1159 and name HD2%) (( segid " " and resid 1159 and name HB3 )) 2.300 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.45980E-02 ppm1 0.792 ppm2 1.359 CV 1 ASSI { 750} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1158 and name H )) 3.300 1.400 1.400 peak 750 spectrum 1 weight 0.10000E+01 volume 0.34795E-02 ppm1 0.792 ppm2 7.647 CV 1 ASSI { 751} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1158 and name H )) 2.700 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.25227E-02 ppm1 3.317 ppm2 7.648 CV 1 ASSI { 752} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1159 and name H )) 3.600 1.700 1.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.57131E-03 ppm1 3.313 ppm2 7.538 CV 1 ASSI { 753} (( segid " " and resid 1158 and name HB )) (( segid " " and resid 1158 and name H )) 2.600 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.31319E-02 ppm1 2.318 ppm2 7.649 CV 1 ASSI { 754} (( segid " " and resid 1158 and name HB )) (( segid " " and resid 1159 and name H )) 2.600 0.800 0.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.20787E-02 ppm1 2.319 ppm2 7.534 CV 1 ASSI { 755} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1159 and name H )) 2.900 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.28979E-02 ppm1 0.791 ppm2 7.536 CV 1 ASSI { 756} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1159 and name H )) 3.400 1.400 1.400 peak 756 spectrum 1 weight 0.10000E+01 volume 0.33521E-02 ppm1 0.949 ppm2 7.532 CV 1 ASSI { 757} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1161 and name H )) 3.400 1.500 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.66082E-03 ppm1 3.318 ppm2 8.177 CV 1 ASSI { 758} ( segid " " and resid 1079 and name HD1%) (( segid " " and resid 1079 and name H )) 2.700 0.900 0.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.31525E-02 ppm1 0.787 ppm2 8.846 CV 1 ASSI { 759} ( segid " " and resid 1192 and name HG2%) (( segid " " and resid 1162 and name H )) 2.600 0.800 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.39717E-02 ppm1 0.948 ppm2 9.162 CV 1 ASSI { 761} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1162 and name H )) 3.500 1.500 1.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.82254E-03 ppm1 0.787 ppm2 9.163 CV 1 ASSI { 762} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1162 and name H )) 3.500 1.500 1.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.73653E-03 ppm1 3.318 ppm2 9.169 CV 1 ASSI { 763} ( segid " " and resid 1079 and name HD1%) (( segid " " and resid 1079 and name HA )) 2.200 0.600 0.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.12765E-01 ppm1 0.785 ppm2 4.499 CV 1 ASSI { 764} ( segid " " and resid 1158 and name HG2%) (( segid " " and resid 1157 and name HA )) 4.000 2.000 2.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.99808E-03 ppm1 0.952 ppm2 4.496 CV 1 ASSI { 765} ( segid " " and resid 1079 and name HD1%) (( segid " " and resid 1078 and name HA )) 2.600 2.600 3.400 peak 765 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 0.787 ppm2 4.206 CV 1 ASSI { 766} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1155 and name HA )) 3.200 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.30424E-02 ppm1 0.790 ppm2 3.956 CV 1 ASSI { 767} (( segid " " and resid 1158 and name HB )) (( segid " " and resid 1155 and name HA )) 2.800 1.000 1.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.19755E-02 ppm1 2.310 ppm2 3.960 CV 1 ASSI { 768} (( segid " " and resid 1158 and name HB )) (( segid " " and resid 1158 and name HA )) 3.100 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.13629E-02 ppm1 2.318 ppm2 3.318 CV 1 ASSI { 769} ( segid " " and resid 1079 and name HD1%) (( segid " " and resid 1078 and name HD2 )) 2.400 0.700 0.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.54929E-02 ppm1 0.785 ppm2 3.501 CV 1 ASSI { 770} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1158 and name HA )) 2.400 0.700 0.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.53001E-02 ppm1 0.792 ppm2 3.317 CV 1 ASSI { 772} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1158 and name HB )) 2.200 0.600 0.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.71791E-02 ppm1 0.791 ppm2 2.320 CV 1 ASSI { 773} ( segid " " and resid 1158 and name HG1%) (( segid " " and resid 1199 and name HB3 )) 4.000 2.000 2.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.96365E-03 ppm1 0.787 ppm2 3.034 CV 1 ASSI { 775} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1161 and name HB3 )) 3.100 1.200 1.200 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 3.317 ppm2 1.740 CV 1 OR { 775} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1161 and name HB2 )) ASSI { 776} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1161 and name HD3 )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 3.316 ppm2 1.539 CV 1 ASSI { 777} (( segid " " and resid 1158 and name HA )) ( segid " " and resid 1195 and name HB% ) 2.700 0.900 0.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.27533E-02 ppm1 3.316 ppm2 1.454 CV 1 ASSI { 780} (( segid " " and resid 1158 and name HB )) ( segid " " and resid 1158 and name HG2%) 2.600 0.800 0.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.30458E-02 ppm1 2.315 ppm2 0.952 CV 1 ASSI { 782} ( segid " " and resid 1158 and name HG1%) ( segid " " and resid 1158 and name HG2%) 2.200 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.91547E-02 ppm1 0.793 ppm2 0.956 CV 1 ASSI { 783} (( segid " " and resid 1157 and name HB3 )) (( segid " " and resid 1158 and name H )) 2.700 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.33453E-02 ppm1 2.758 ppm2 7.649 CV 1 OR { 783} (( segid " " and resid 1157 and name HB2 )) (( segid " " and resid 1158 and name H )) ASSI { 784} (( segid " " and resid 1157 and name HB2 )) (( segid " " and resid 1157 and name H )) 2.300 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.74888E-02 ppm1 2.757 ppm2 7.927 CV 1 OR { 784} (( segid " " and resid 1157 and name HB3 )) (( segid " " and resid 1157 and name H )) ASSI { 785} (( segid " " and resid 1157 and name HA )) (( segid " " and resid 1158 and name H )) 3.000 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+01 volume 0.18206E-02 ppm1 4.506 ppm2 7.635 CV 1 ASSI { 786} (( segid " " and resid 1157 and name HA )) (( segid " " and resid 1157 and name H )) 2.600 0.800 0.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.41437E-02 ppm1 4.505 ppm2 7.926 CV 1 ASSI { 787} (( segid " " and resid 1157 and name HB3 )) (( segid " " and resid 1157 and name HA )) 2.500 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.56408E-02 ppm1 2.757 ppm2 4.505 CV 1 OR { 787} (( segid " " and resid 1157 and name HB2 )) (( segid " " and resid 1157 and name HA )) ASSI { 788} (( segid " " and resid 1157 and name HB2 )) (( segid " " and resid 1154 and name HA )) 2.600 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.43915E-02 ppm1 2.760 ppm2 4.021 CV 1 OR { 788} (( segid " " and resid 1157 and name HB3 )) (( segid " " and resid 1154 and name HA )) ASSI { 791} (( segid " " and resid 1157 and name HB3 )) ( segid " " and resid 1195 and name HB% ) 3.100 1.200 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 2.757 ppm2 1.460 CV 1 OR { 791} (( segid " " and resid 1157 and name HB2 )) ( segid " " and resid 1195 and name HB% ) ASSI { 792} (( segid " " and resid 1156 and name HB2 )) ( segid " " and resid 1159 and name HD2%) 3.800 1.800 1.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 4.065 ppm2 0.812 CV 1 ASSI { 795} (( segid " " and resid 1155 and name HA )) (( segid " " and resid 1156 and name H )) 3.400 1.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.94989E-03 ppm1 3.954 ppm2 8.337 CV 1 ASSI { 798} ( segid " " and resid 1155 and name HB% ) (( segid " " and resid 1156 and name H )) 2.600 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.43846E-02 ppm1 1.263 ppm2 8.344 CV 1 ASSI { 799} ( segid " " and resid 1155 and name HB% ) (( segid " " and resid 1155 and name H )) 2.300 0.600 0.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.88139E-02 ppm1 1.264 ppm2 7.746 CV 1 ASSI { 800} ( segid " " and resid 1155 and name HB% ) (( segid " " and resid 1155 and name HA )) 2.000 0.500 0.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.16795E-01 ppm1 1.264 ppm2 3.966 CV 1 ASSI { 804} (( segid " " and resid 1155 and name HA )) ( segid " " and resid 1131 and name HD1%) 2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.29185E-02 ppm1 3.954 ppm2 0.768 CV 1 ASSI { 807} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1198 and name HB2 )) 3.300 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.29667E-02 ppm1 1.269 ppm2 1.932 CV 1 ASSI { 808} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1198 and name HB3 )) 2.600 2.600 3.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.35552E-02 ppm1 1.267 ppm2 1.836 CV 1 ASSI { 809} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1198 and name HG3 )) 3.300 1.400 1.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 1.268 ppm2 1.535 CV 1 ASSI { 810} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1198 and name HD3 )) 3.200 1.300 1.300 peak 810 spectrum 1 weight 0.10000E+01 volume 0.15831E-02 ppm1 1.268 ppm2 3.155 CV 1 OR { 810} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1198 and name HD2 )) ASSI { 812} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1153 and name HB3 )) 3.400 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.85006E-03 ppm1 1.267 ppm2 2.581 CV 1 ASSI { 813} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1199 and name HG )) 3.700 1.700 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 1.266 ppm2 2.416 CV 1 ASSI { 816} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1154 and name HA )) 2.200 0.600 0.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10566E-01 ppm1 1.268 ppm2 4.024 CV 1 ASSI { 818} (( segid " " and resid 1154 and name HA )) (( segid " " and resid 1154 and name HB )) 2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.35724E-02 ppm1 4.023 ppm2 4.183 CV 1 ASSI { 821} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1198 and name H )) 3.800 1.800 1.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 1.269 ppm2 7.853 CV 1 ASSI { 822} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1199 and name H )) 3.100 1.200 1.200 peak 822 spectrum 1 weight 0.10000E+01 volume 0.31181E-02 ppm1 1.268 ppm2 7.732 CV 1 ASSI { 823} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1154 and name H )) 2.400 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.61328E-02 ppm1 1.268 ppm2 8.584 CV 1 ASSI { 826} ( segid " " and resid 1154 and name HG2%) (( segid " " and resid 1153 and name H )) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.87419E-03 ppm1 1.269 ppm2 9.006 CV 1 ASSI { 827} (( segid " " and resid 1153 and name HA )) (( segid " " and resid 1153 and name H )) 2.600 0.800 0.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.41471E-02 ppm1 4.367 ppm2 9.010 CV 1 ASSI { 828} (( segid " " and resid 1153 and name HA )) (( segid " " and resid 1154 and name H )) 3.200 1.300 1.300 peak 828 spectrum 1 weight 0.10000E+01 volume 0.16038E-02 ppm1 4.366 ppm2 8.585 CV 1 ASSI { 829} (( segid " " and resid 1153 and name HB3 )) (( segid " " and resid 1153 and name H )) 2.700 0.900 0.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.29254E-02 ppm1 2.583 ppm2 9.004 CV 1 ASSI { 830} (( segid " " and resid 1153 and name HB2 )) (( segid " " and resid 1153 and name H )) 2.500 0.800 0.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.39957E-02 ppm1 2.786 ppm2 9.010 CV 1 ASSI { 831} (( segid " " and resid 1153 and name HB3 )) (( segid " " and resid 1154 and name H )) 2.800 1.000 1.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 2.584 ppm2 8.581 CV 1 ASSI { 832} (( segid " " and resid 1153 and name HB2 )) (( segid " " and resid 1154 and name H )) 3.800 1.800 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.16107E-02 ppm1 2.786 ppm2 8.584 CV 1 ASSI { 833} (( segid " " and resid 1153 and name HA )) (( segid " " and resid 1156 and name H )) 3.200 1.300 1.300 peak 833 spectrum 1 weight 0.10000E+01 volume 0.13423E-02 ppm1 4.365 ppm2 8.340 CV 1 ASSI { 835} (( segid " " and resid 1051 and name HA )) (( segid " " and resid 1054 and name H )) 2.900 1.100 1.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.21028E-02 ppm1 4.376 ppm2 7.961 CV 1 ASSI { 841} (( segid " " and resid 1051 and name HB3 )) (( segid " " and resid 1048 and name HA )) 3.700 1.700 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 2.662 ppm2 4.221 CV 1 ASSI { 843} (( segid " " and resid 1153 and name HB2 )) (( segid " " and resid 1150 and name HA )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.29495E-02 ppm1 2.787 ppm2 4.009 CV 1 ASSI { 844} (( segid " " and resid 1153 and name HB3 )) (( segid " " and resid 1150 and name HA )) 2.600 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.26122E-02 ppm1 2.581 ppm2 4.007 CV 1 ASSI { 845} (( segid " " and resid 1153 and name HA )) (( segid " " and resid 1156 and name HB2 )) 3.200 1.300 1.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.18619E-02 ppm1 4.365 ppm2 4.055 CV 1 ASSI { 846} (( segid " " and resid 1153 and name HA )) (( segid " " and resid 1156 and name HB3 )) 2.700 0.900 0.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.26638E-02 ppm1 4.369 ppm2 3.926 CV 1 ASSI { 847} (( segid " " and resid 1153 and name HA )) (( segid " " and resid 1153 and name HB2 )) 2.400 0.700 0.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.57372E-02 ppm1 4.367 ppm2 2.789 CV 1 ASSI { 849} (( segid " " and resid 1153 and name HB3 )) (( segid " " and resid 1153 and name HB2 )) 1.900 0.400 0.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.10607E-01 ppm1 2.584 ppm2 2.788 CV 1 ASSI { 852} (( segid " " and resid 1090 and name HB3 )) ( segid " " and resid 1134 and name HB% ) 3.400 1.400 1.400 peak 852 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 2.793 ppm2 1.535 CV 1 ASSI { 853} (( segid " " and resid 1051 and name HA )) (( segid " " and resid 1054 and name HB2 )) 3.000 1.100 1.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.24918E-02 ppm1 4.375 ppm2 1.570 CV 1 ASSI { 854} (( segid " " and resid 1051 and name HA )) (( segid " " and resid 1054 and name HB3 )) 2.700 0.900 0.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.24333E-02 ppm1 4.376 ppm2 1.874 CV 1 ASSI { 855} (( segid " " and resid 1153 and name HB2 )) ( segid " " and resid 1154 and name HG2%) 4.600 2.600 1.400 peak 855 spectrum 1 weight 0.10000E+01 volume 0.70895E-03 ppm1 2.787 ppm2 1.259 CV 1 ASSI { 856} (( segid " " and resid 1051 and name HA )) ( segid " " and resid 1166 and name HG2%) 3.100 1.200 1.200 peak 856 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 4.374 ppm2 0.914 CV 1 ASSI { 860} (( segid " " and resid 1152 and name HA )) (( segid " " and resid 1153 and name H )) 3.700 1.700 1.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.61603E-03 ppm1 3.983 ppm2 9.007 CV 1 ASSI { 863} (( segid " " and resid 1152 and name HA )) (( segid " " and resid 1155 and name H )) 3.500 1.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.64015E-03 ppm1 3.979 ppm2 7.748 CV 1 ASSI { 867} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1152 and name H )) 2.900 1.000 1.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.32558E-02 ppm1 0.544 ppm2 7.365 CV 1 ASSI { 868} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1140 and name H )) 2.900 2.900 3.100 peak 868 spectrum 1 weight 0.10000E+01 volume 0.89140E-03 ppm1 0.546 ppm2 8.592 CV 1 ASSI { 869} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1139 and name H )) 3.400 1.500 1.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.12975E-02 ppm1 0.544 ppm2 8.416 CV 1 ASSI { 870} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1151 and name H )) 2.900 2.900 3.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.99117E-03 ppm1 0.545 ppm2 8.281 CV 1 ASSI { 871} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1135 and name H )) 3.300 3.300 2.700 peak 871 spectrum 1 weight 0.10000E+01 volume 0.43709E-03 ppm1 0.543 ppm2 8.817 CV 1 ASSI { 872} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1136 and name H )) 3.400 1.500 1.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10841E-02 ppm1 0.545 ppm2 7.860 CV 1 ASSI { 873} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1149 and name H )) 3.100 3.100 2.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.60572E-03 ppm1 0.545 ppm2 7.526 CV 1 ASSI { 874} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1152 and name HA )) 2.100 0.600 0.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10859E-01 ppm1 0.544 ppm2 3.986 CV 1 ASSI { 876} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1136 and name HA )) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.34520E-02 ppm1 0.544 ppm2 3.566 CV 1 ASSI { 877} ( segid " " and resid 1152 and name HD1%) (( segid " " and resid 1152 and name HA )) 3.400 1.500 1.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.31009E-02 ppm1 0.624 ppm2 3.978 CV 1 ASSI { 878} ( segid " " and resid 1152 and name HD1%) (( segid " " and resid 1068 and name HA )) 2.500 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.47701E-02 ppm1 0.624 ppm2 3.767 CV 1 ASSI { 885} (( segid " " and resid 1152 and name HA )) ( segid " " and resid 1155 and name HB% ) 2.900 1.000 1.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.20237E-02 ppm1 3.986 ppm2 1.269 CV 1 ASSI { 886} (( segid " " and resid 1152 and name HA )) (( segid " " and resid 1152 and name HB2 )) 3.100 1.200 1.200 peak 886 spectrum 1 weight 0.10000E+01 volume 0.22095E-02 ppm1 3.985 ppm2 1.153 CV 1 ASSI { 887} (( segid " " and resid 1152 and name HA )) (( segid " " and resid 1152 and name HB3 )) 2.800 1.000 1.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16382E-02 ppm1 3.983 ppm2 1.914 CV 1 ASSI { 888} (( segid " " and resid 1152 and name HA )) (( segid " " and resid 1152 and name HG )) 3.300 1.400 1.400 peak 888 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 3.984 ppm2 1.814 CV 1 ASSI { 889} (( segid " " and resid 1152 and name HB2 )) (( segid " " and resid 1152 and name HB3 )) 2.500 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.17036E-02 ppm1 1.137 ppm2 1.910 CV 1 ASSI { 890} (( segid " " and resid 1152 and name HB2 )) (( segid " " and resid 1152 and name HG )) 3.000 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.87764E-03 ppm1 1.131 ppm2 1.828 CV 1 ASSI { 891} (( segid " " and resid 1152 and name HB2 )) ( segid " " and resid 1151 and name HG2%) 4.400 2.500 1.600 peak 891 spectrum 1 weight 0.10000E+01 volume 0.59196E-03 ppm1 1.135 ppm2 0.842 CV 1 ASSI { 893} (( segid " " and resid 1152 and name HB2 )) ( segid " " and resid 1152 and name HD2%) 3.800 1.800 1.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.10772E-02 ppm1 1.140 ppm2 0.545 CV 1 ASSI { 897} ( segid " " and resid 1141 and name HD1%) ( segid " " and resid 1141 and name HD2%) 2.200 0.600 0.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10555E-01 ppm1 0.645 ppm2 0.829 CV 1 ASSI { 899} ( segid " " and resid 1152 and name HD1%) (( segid " " and resid 1152 and name HB3 )) 2.400 0.700 0.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.56993E-02 ppm1 0.626 ppm2 1.901 CV 1 ASSI { 900} ( segid " " and resid 1152 and name HD1%) (( segid " " and resid 1152 and name HG )) 2.200 0.600 0.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.66937E-02 ppm1 0.627 ppm2 1.814 CV 1 ASSI { 901} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1141 and name HB3 )) 2.400 0.700 0.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.65321E-02 ppm1 0.644 ppm2 1.755 CV 1 ASSI { 902} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1141 and name HG )) 2.200 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.77746E-02 ppm1 0.644 ppm2 1.556 CV 1 OR { 902} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1141 and name HB2 )) ASSI { 903} ( segid " " and resid 1152 and name HD1%) ( segid " " and resid 1071 and name HB% ) 2.400 0.700 0.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.59677E-02 ppm1 0.625 ppm2 1.277 CV 1 ASSI { 904} ( segid " " and resid 1152 and name HD1%) (( segid " " and resid 1152 and name HB2 )) 2.500 0.800 0.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.47081E-02 ppm1 0.628 ppm2 1.155 CV 1 ASSI { 905} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1151 and name HB )) 2.500 2.500 3.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.26638E-02 ppm1 0.544 ppm2 2.022 CV 1 ASSI { 906} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1152 and name HB3 )) 2.300 0.700 0.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.58026E-02 ppm1 0.545 ppm2 1.897 CV 1 ASSI { 907} ( segid " " and resid 1152 and name HD2%) (( segid " " and resid 1152 and name HG )) 2.200 0.600 0.600 peak 907 spectrum 1 weight 0.10000E+01 volume 0.71861E-02 ppm1 0.544 ppm2 1.816 CV 1 ASSI { 908} ( segid " " and resid 1152 and name HD2%) ( segid " " and resid 1139 and name HB% ) 2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.87828E-02 ppm1 0.544 ppm2 1.296 CV 1 ASSI { 909} ( segid " " and resid 1152 and name HD2%) ( segid " " and resid 1135 and name HB% ) 2.400 0.700 0.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.66422E-02 ppm1 0.544 ppm2 1.189 CV 1 ASSI { 910} ( segid " " and resid 1152 and name HD2%) ( segid " " and resid 1151 and name HG2%) 2.100 0.500 0.500 peak 910 spectrum 1 weight 0.10000E+01 volume 0.15474E-01 ppm1 0.544 ppm2 0.842 CV 1 ASSI { 911} (( segid " " and resid 1151 and name HB )) (( segid " " and resid 1152 and name H )) 3.400 1.400 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.21613E-02 ppm1 2.041 ppm2 7.363 CV 1 ASSI { 912} (( segid " " and resid 1151 and name HA )) (( segid " " and resid 1151 and name H )) 2.700 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.23472E-02 ppm1 3.703 ppm2 8.276 CV 1 ASSI { 914} (( segid " " and resid 1151 and name HB )) (( segid " " and resid 1151 and name H )) 2.400 0.700 0.700 peak 914 spectrum 1 weight 0.10000E+01 volume 0.53242E-02 ppm1 2.044 ppm2 8.274 CV 1 ASSI { 915} (( segid " " and resid 1151 and name HB )) (( segid " " and resid 1150 and name H )) 4.100 2.100 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.91547E-03 ppm1 2.044 ppm2 7.487 CV 1 ASSI { 916} (( segid " " and resid 1088 and name HA )) (( segid " " and resid 1089 and name H )) 3.400 1.400 1.400 peak 916 spectrum 1 weight 0.10000E+01 volume 0.87073E-03 ppm1 3.711 ppm2 7.513 CV 1 ASSI { 917} ( segid " " and resid 1151 and name HG1%) (( segid " " and resid 1150 and name H )) 3.200 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.27671E-02 ppm1 0.941 ppm2 7.487 CV 1 ASSI { 918} ( segid " " and resid 1151 and name HG1%) (( segid " " and resid 1151 and name H )) 1.900 0.500 0.500 peak 918 spectrum 1 weight 0.10000E+01 volume 0.12493E-01 ppm1 0.942 ppm2 8.274 CV 1 ASSI { 920} ( segid " " and resid 1151 and name HG1%) (( segid " " and resid 1153 and name H )) 4.500 2.600 1.500 peak 920 spectrum 1 weight 0.10000E+01 volume 0.64700E-03 ppm1 0.946 ppm2 9.008 CV 1 ASSI { 921} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1153 and name H )) 4.100 2.100 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.66767E-03 ppm1 0.832 ppm2 9.005 CV 1 ASSI { 922} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1135 and name H )) 3.000 3.000 3.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.86728E-03 ppm1 0.833 ppm2 8.812 CV 1 ASSI { 923} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1154 and name H )) 3.500 1.500 1.500 peak 923 spectrum 1 weight 0.10000E+01 volume 0.12699E-02 ppm1 0.830 ppm2 8.587 CV 1 ASSI { 924} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1139 and name H )) 2.800 0.900 0.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.42986E-02 ppm1 0.832 ppm2 8.414 CV 1 ASSI { 925} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1151 and name H )) 3.300 1.400 1.400 peak 925 spectrum 1 weight 0.10000E+01 volume 0.37101E-02 ppm1 0.832 ppm2 8.273 CV 1 ASSI { 926} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1136 and name H )) 3.100 3.100 2.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.26914E-02 ppm1 0.817 ppm2 7.856 CV 1 ASSI { 927} ( segid " " and resid 1151 and name HG1%) (( segid " " and resid 1152 and name H )) 2.500 0.800 0.800 peak 927 spectrum 1 weight 0.10000E+01 volume 0.26535E-02 ppm1 0.940 ppm2 7.369 CV 1 ASSI { 928} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1152 and name H )) 2.900 1.000 1.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.37789E-02 ppm1 0.832 ppm2 7.366 CV 1 ASSI { 930} (( segid " " and resid 1151 and name HB )) (( segid " " and resid 1151 and name HA )) 2.800 0.900 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.21338E-02 ppm1 2.042 ppm2 3.700 CV 1 ASSI { 931} (( segid " " and resid 1151 and name HB )) (( segid " " and resid 1148 and name HA )) 3.400 1.500 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.16588E-02 ppm1 2.045 ppm2 3.468 CV 1 ASSI { 933} ( segid " " and resid 1138 and name HG2%) (( segid " " and resid 1138 and name HA )) 2.300 0.600 0.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.81259E-02 ppm1 0.916 ppm2 3.475 CV 1 ASSI { 935} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1152 and name HA )) 2.600 0.800 0.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.45154E-02 ppm1 0.820 ppm2 3.971 CV 1 ASSI { 938} (( segid " " and resid 1151 and name HA )) ( segid " " and resid 1150 and name HG2%) 3.000 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.15591E-02 ppm1 3.704 ppm2 1.022 CV 1 ASSI { 939} (( segid " " and resid 1151 and name HA )) ( segid " " and resid 1151 and name HG1%) 2.800 1.000 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.51280E-02 ppm1 3.706 ppm2 0.940 CV 1 ASSI { 940} (( segid " " and resid 1151 and name HA )) ( segid " " and resid 1151 and name HG2%) 2.500 0.800 0.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.42779E-02 ppm1 3.707 ppm2 0.841 CV 1 ASSI { 941} (( segid " " and resid 1151 and name HA )) ( segid " " and resid 1138 and name HG1%) 4.200 2.200 1.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 3.708 ppm2 0.755 CV 1 ASSI { 944} (( segid " " and resid 1151 and name HB )) ( segid " " and resid 1138 and name HG1%) 2.800 1.000 1.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.30768E-02 ppm1 2.052 ppm2 0.757 CV 1 ASSI { 946} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1203 and name HB3 )) 3.100 3.100 2.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.34175E-02 ppm1 0.823 ppm2 1.387 CV 1 ASSI { 948} ( segid " " and resid 1151 and name HG2%) ( segid " " and resid 1135 and name HB% ) 2.300 0.700 0.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.72377E-02 ppm1 0.832 ppm2 1.201 CV 1 ASSI { 950} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1151 and name HB )) 2.100 0.500 0.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.11588E-01 ppm1 0.831 ppm2 2.040 CV 1 ASSI { 951} ( segid " " and resid 1151 and name HG1%) (( segid " " and resid 1151 and name HB )) 1.900 0.500 0.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.14809E-01 ppm1 0.941 ppm2 2.043 CV 1 ASSI { 952} (( segid " " and resid 1150 and name HG12)) (( segid " " and resid 1150 and name HA )) 2.800 1.000 1.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.28428E-02 ppm1 1.223 ppm2 4.005 CV 1 ASSI { 953} (( segid " " and resid 1150 and name HA )) (( segid " " and resid 1154 and name H )) 3.600 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.82945E-03 ppm1 4.003 ppm2 8.590 CV 1 ASSI { 954} (( segid " " and resid 1150 and name HA )) (( segid " " and resid 1151 and name H )) 3.300 1.300 1.300 peak 954 spectrum 1 weight 0.10000E+01 volume 0.88104E-03 ppm1 4.004 ppm2 8.275 CV 1 ASSI { 955} (( segid " " and resid 1150 and name HA )) (( segid " " and resid 1150 and name H )) 2.600 0.800 0.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34864E-02 ppm1 4.006 ppm2 7.486 CV 1 ASSI { 956} (( segid " " and resid 1150 and name HB )) (( segid " " and resid 1151 and name H )) 3.100 1.200 1.200 peak 956 spectrum 1 weight 0.10000E+01 volume 0.27361E-02 ppm1 1.906 ppm2 8.274 CV 1 ASSI { 957} (( segid " " and resid 1150 and name HB )) (( segid " " and resid 1150 and name H )) 2.200 0.600 0.600 peak 957 spectrum 1 weight 0.10000E+01 volume 0.78882E-02 ppm1 1.906 ppm2 7.486 CV 1 ASSI { 958} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1150 and name H )) 3.400 1.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.32592E-02 ppm1 0.833 ppm2 7.486 CV 1 ASSI { 959} (( segid " " and resid 1150 and name HG12)) (( segid " " and resid 1150 and name H )) 3.500 1.600 1.600 peak 959 spectrum 1 weight 0.10000E+01 volume 0.20719E-02 ppm1 1.225 ppm2 7.486 CV 1 ASSI { 960} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1151 and name H )) 3.800 1.800 1.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 0.829 ppm2 8.268 CV 1 ASSI { 961} (( segid " " and resid 1150 and name HG12)) (( segid " " and resid 1151 and name H )) 4.400 2.400 1.600 peak 961 spectrum 1 weight 0.10000E+01 volume 0.51280E-03 ppm1 1.218 ppm2 8.277 CV 1 ASSI { 962} (( segid " " and resid 1150 and name HG13)) (( segid " " and resid 1150 and name H )) 3.300 1.300 1.300 peak 962 spectrum 1 weight 0.10000E+01 volume 0.40749E-02 ppm1 1.666 ppm2 7.487 CV 1 ASSI { 963} (( segid " " and resid 1067 and name HG12)) (( segid " " and resid 1067 and name H )) 3.500 1.500 1.500 peak 963 spectrum 1 weight 0.10000E+01 volume 0.28359E-02 ppm1 1.662 ppm2 8.285 CV 1 ASSI { 964} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1150 and name H )) 2.400 0.700 0.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.81739E-02 ppm1 1.029 ppm2 7.486 CV 1 ASSI { 966} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1152 and name H )) 4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.97056E-03 ppm1 1.031 ppm2 7.370 CV 1 ASSI { 967} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1154 and name H )) 3.200 1.300 1.300 peak 967 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 1.029 ppm2 8.584 CV 1 ASSI { 968} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1151 and name H )) 2.300 0.700 0.700 peak 968 spectrum 1 weight 0.10000E+01 volume 0.60713E-02 ppm1 1.029 ppm2 8.272 CV 1 ASSI { 969} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1153 and name H )) 3.700 1.700 1.700 peak 969 spectrum 1 weight 0.10000E+01 volume 0.99117E-03 ppm1 1.029 ppm2 9.005 CV 1 ASSI { 970} (( segid " " and resid 1150 and name HA )) (( segid " " and resid 1153 and name H )) 3.200 1.200 1.200 peak 970 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 4.005 ppm2 9.005 CV 1 ASSI { 971} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1202 and name HA )) 3.500 1.500 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.16245E-02 ppm1 1.029 ppm2 4.495 CV 1 ASSI { 972} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1199 and name HA )) 3.200 3.200 2.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.19927E-02 ppm1 1.029 ppm2 4.187 CV 1 ASSI { 973} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1150 and name HA )) 2.500 0.800 0.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.80018E-02 ppm1 1.029 ppm2 4.008 CV 1 ASSI { 974} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1150 and name HA )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.42883E-02 ppm1 0.832 ppm2 4.006 CV 1 ASSI { 975} (( segid " " and resid 1150 and name HB )) (( segid " " and resid 1150 and name HA )) 2.500 0.800 0.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.41437E-02 ppm1 1.907 ppm2 4.007 CV 1 ASSI { 976} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1147 and name HA )) 2.200 0.600 0.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.10511E-01 ppm1 1.029 ppm2 3.662 CV 1 ASSI { 978} (( segid " " and resid 1150 and name HG12)) (( segid " " and resid 1147 and name HA )) 4.200 2.200 1.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.78472E-03 ppm1 1.224 ppm2 3.660 CV 1 ASSI { 979} (( segid " " and resid 1150 and name HB )) (( segid " " and resid 1147 and name HA )) 2.700 0.900 0.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.33453E-02 ppm1 1.907 ppm2 3.658 CV 1 ASSI { 980} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1202 and name HB2 )) 2.500 0.800 0.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.53001E-02 ppm1 1.029 ppm2 2.892 CV 1 OR { 980} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1202 and name HB3 )) ASSI { 981} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1153 and name HB3 )) 3.900 1.900 1.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.85697E-03 ppm1 1.029 ppm2 2.577 CV 1 ASSI { 982} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1202 and name HB3 )) 3.200 1.300 1.300 peak 982 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 0.833 ppm2 2.886 CV 1 ASSI { 983} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1153 and name HB2 )) 3.900 1.900 1.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.17208E-02 ppm1 0.831 ppm2 2.787 CV 1 ASSI { 984} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1153 and name HB3 )) 3.400 1.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 0.834 ppm2 2.582 CV 1 ASSI { 987} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1150 and name HG13)) 2.500 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.43846E-02 ppm1 1.029 ppm2 1.666 CV 1 ASSI { 988} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1151 and name HB )) 3.000 1.100 1.100 peak 988 spectrum 1 weight 0.10000E+01 volume 0.20030E-02 ppm1 1.029 ppm2 2.056 CV 1 ASSI { 989} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1150 and name HB )) 2.000 0.500 0.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.13264E-01 ppm1 1.029 ppm2 1.906 CV 1 ASSI { 990} (( segid " " and resid 1150 and name HG12)) (( segid " " and resid 1150 and name HG13)) 1.800 0.400 0.400 peak 990 spectrum 1 weight 0.10000E+01 volume 0.11626E-01 ppm1 1.222 ppm2 1.666 CV 1 ASSI { 991} (( segid " " and resid 1150 and name HG12)) (( segid " " and resid 1150 and name HB )) 2.700 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.23128E-02 ppm1 1.221 ppm2 1.908 CV 1 ASSI { 992} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1150 and name HG13)) 2.100 0.600 0.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.13267E-01 ppm1 0.832 ppm2 1.666 CV 1 ASSI { 993} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1150 and name HB )) 2.600 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.63465E-02 ppm1 0.832 ppm2 1.908 CV 1 ASSI { 994} (( segid " " and resid 1150 and name HB )) (( segid " " and resid 1150 and name HG13)) 2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 1.908 ppm2 1.665 CV 1 ASSI { 996} (( segid " " and resid 1150 and name HA )) (( segid " " and resid 1150 and name HG13)) 3.200 1.300 1.300 peak 996 spectrum 1 weight 0.10000E+01 volume 0.16073E-02 ppm1 4.005 ppm2 1.667 CV 1 ASSI { 997} (( segid " " and resid 1150 and name HB )) ( segid " " and resid 1149 and name HB% ) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 1.905 ppm2 1.428 CV 1 ASSI { 998} ( segid " " and resid 1150 and name HD1%) ( segid " " and resid 1149 and name HB% ) 2.700 2.700 3.300 peak 998 spectrum 1 weight 0.10000E+01 volume 0.14834E-02 ppm1 0.832 ppm2 1.430 CV 1 ASSI { 1000} (( segid " " and resid 1150 and name HA )) ( segid " " and resid 1149 and name HB% ) 3.400 1.500 1.500 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.99808E-03 ppm1 4.008 ppm2 1.429 CV 1 ASSI { 1001} ( segid " " and resid 1150 and name HG2%) (( segid " " and resid 1150 and name HG12)) 2.500 0.800 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.78472E-02 ppm1 1.029 ppm2 1.244 CV 1 ASSI { 1003} ( segid " " and resid 1150 and name HD1%) (( segid " " and resid 1150 and name HG12)) 2.100 0.600 0.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.12307E-01 ppm1 0.832 ppm2 1.226 CV 1 ASSI { 1009} (( segid " " and resid 1150 and name HA )) ( segid " " and resid 1151 and name HG1%) 3.900 1.900 1.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 4.005 ppm2 0.932 CV 1 ASSI { 1016} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1148 and name H )) 2.700 0.900 0.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.20925E-02 ppm1 3.460 ppm2 8.010 CV 1 ASSI { 1017} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1149 and name H )) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 3.458 ppm2 7.517 CV 1 ASSI { 1018} (( segid " " and resid 1148 and name HB3 )) (( segid " " and resid 1149 and name H )) 3.200 1.200 1.200 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.28531E-02 ppm1 1.903 ppm2 7.513 CV 1 ASSI { 1019} (( segid " " and resid 1148 and name HB3 )) (( segid " " and resid 1148 and name H )) 3.500 1.600 1.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 1.899 ppm2 8.010 CV 1 ASSI { 1022} (( segid " " and resid 1148 and name HG2 )) (( segid " " and resid 1148 and name H )) 3.800 1.800 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 2.081 ppm2 8.010 CV 1 ASSI { 1023} (( segid " " and resid 1148 and name HG2 )) (( segid " " and resid 1142 and name H )) 3.700 1.700 1.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.23541E-02 ppm1 2.080 ppm2 7.549 CV 1 ASSI { 1024} (( segid " " and resid 1148 and name HG3 )) (( segid " " and resid 1148 and name H )) 2.600 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.17312E-02 ppm1 2.395 ppm2 8.008 CV 1 ASSI { 1027} (( segid " " and resid 1148 and name HB3 )) (( segid " " and resid 1145 and name HA )) 3.600 1.600 1.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.22474E-02 ppm1 1.903 ppm2 4.322 CV 1 ASSI { 1029} (( segid " " and resid 1148 and name HG2 )) (( segid " " and resid 1145 and name HA )) 3.900 1.900 1.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 2.076 ppm2 4.331 CV 1 ASSI { 1030} (( segid " " and resid 1148 and name HG3 )) (( segid " " and resid 1145 and name HA )) 3.100 1.200 1.200 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 2.392 ppm2 4.332 CV 1 ASSI { 1031} (( segid " " and resid 1148 and name HG3 )) (( segid " " and resid 1139 and name HA )) 3.800 1.800 1.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 2.399 ppm2 3.768 CV 1 ASSI { 1033} (( segid " " and resid 1148 and name HB2 )) (( segid " " and resid 1139 and name HA )) 5.000 3.100 1.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.47838E-03 ppm1 2.086 ppm2 3.759 CV 1 ASSI { 1034} (( segid " " and resid 1148 and name HG2 )) (( segid " " and resid 1148 and name HA )) 2.700 0.900 0.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.17897E-02 ppm1 2.077 ppm2 3.463 CV 1 ASSI { 1035} (( segid " " and resid 1148 and name HG3 )) (( segid " " and resid 1148 and name HA )) 3.000 1.200 1.200 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.18069E-02 ppm1 2.399 ppm2 3.460 CV 1 ASSI { 1036} (( segid " " and resid 1148 and name HB2 )) (( segid " " and resid 1148 and name HA )) 3.200 1.200 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.16451E-02 ppm1 2.090 ppm2 3.461 CV 1 ASSI { 1038} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1148 and name HG2 )) 2.500 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.40956E-02 ppm1 3.459 ppm2 2.085 CV 1 OR { 1038} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1148 and name HB2 )) ASSI { 1039} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1148 and name HB3 )) 2.700 0.900 0.900 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.20615E-02 ppm1 3.459 ppm2 1.905 CV 1 ASSI { 1044} (( segid " " and resid 1148 and name HB2 )) ( segid " " and resid 1139 and name HB% ) 4.500 2.500 1.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.80187E-03 ppm1 2.087 ppm2 1.285 CV 1 ASSI { 1046} (( segid " " and resid 1148 and name HG2 )) ( segid " " and resid 1139 and name HB% ) 2.800 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 2.080 ppm2 1.293 CV 1 ASSI { 1052} (( segid " " and resid 1148 and name HG2 )) (( segid " " and resid 1148 and name HB3 )) 2.500 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.27533E-02 ppm1 2.083 ppm2 1.900 CV 1 ASSI { 1054} (( segid " " and resid 1148 and name HA )) ( segid " " and resid 1151 and name HG1%) 2.800 1.000 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.12872E-02 ppm1 3.458 ppm2 0.939 CV 1 ASSI { 1055} (( segid " " and resid 1148 and name HA )) ( segid " " and resid 1151 and name HG2%) 4.000 2.000 2.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 3.461 ppm2 0.848 CV 1 ASSI { 1056} (( segid " " and resid 1148 and name HG2 )) ( segid " " and resid 1151 and name HG1%) 4.400 2.400 1.600 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.50936E-03 ppm1 2.077 ppm2 0.932 CV 1 ASSI { 1057} (( segid " " and resid 1148 and name HG2 )) ( segid " " and resid 1147 and name HG2%) 4.100 2.100 1.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.58508E-03 ppm1 2.079 ppm2 0.852 CV 1 ASSI { 1058} (( segid " " and resid 1148 and name HB2 )) (( segid " " and resid 1148 and name HG3 )) 2.600 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.22646E-02 ppm1 2.091 ppm2 2.392 CV 1 ASSI { 1059} (( segid " " and resid 1148 and name HB3 )) (( segid " " and resid 1148 and name HG3 )) 3.200 1.300 1.300 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 1.905 ppm2 2.393 CV 1 ASSI { 1060} (( segid " " and resid 1148 and name HB3 )) (( segid " " and resid 1148 and name HB2 )) 2.000 0.500 0.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.69554E-02 ppm1 1.901 ppm2 2.091 CV 1 ASSI { 1061} (( segid " " and resid 1148 and name HG2 )) (( segid " " and resid 1148 and name HG3 )) 1.900 0.500 0.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.62639E-02 ppm1 2.079 ppm2 2.397 CV 1 ASSI { 1062} (( segid " " and resid 1148 and name HG3 )) (( segid " " and resid 1148 and name HG2 )) 1.800 0.400 0.400 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.90481E-02 ppm1 2.396 ppm2 2.080 CV 1 OR { 1062} (( segid " " and resid 1148 and name HG3 )) (( segid " " and resid 1148 and name HB2 )) ASSI { 1063} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1139 and name HA )) 2.900 1.000 1.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 3.460 ppm2 3.771 CV 1 ASSI { 1064} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1145 and name HA )) 4.200 2.200 1.800 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.72277E-03 ppm1 3.463 ppm2 4.320 CV 1 ASSI { 1065} (( segid " " and resid 1148 and name HA )) (( segid " " and resid 1151 and name H )) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.85697E-03 ppm1 3.462 ppm2 8.275 CV 1 ASSI { 1067} ( segid " " and resid 1147 and name HG1%) (( segid " " and resid 1147 and name H )) 2.100 0.500 0.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.10831E-01 ppm1 0.950 ppm2 7.200 CV 1 ASSI { 1068} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1147 and name H )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 0.871 ppm2 7.199 CV 1 ASSI { 1069} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1148 and name H )) 3.300 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.92577E-03 ppm1 3.654 ppm2 8.001 CV 1 ASSI { 1070} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1150 and name H )) 3.000 1.100 1.100 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.16623E-02 ppm1 3.654 ppm2 7.491 CV 1 ASSI { 1071} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1147 and name H )) 2.800 1.000 1.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.19239E-02 ppm1 3.655 ppm2 7.200 CV 1 ASSI { 1072} (( segid " " and resid 1147 and name HB )) (( segid " " and resid 1148 and name H )) 3.400 1.500 1.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 2.093 ppm2 8.011 CV 1 ASSI { 1074} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1149 and name H )) 3.800 1.800 1.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 0.872 ppm2 7.505 CV 1 ASSI { 1075} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1148 and name H )) 2.800 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 0.871 ppm2 8.008 CV 1 ASSI { 1077} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1146 and name H )) 3.600 1.700 1.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 0.870 ppm2 8.273 CV 1 ASSI { 1078} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1151 and name H )) 3.400 1.400 1.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 3.654 ppm2 8.265 CV 1 ASSI { 1080} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1203 and name HA )) 4.000 2.000 2.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.91547E-03 ppm1 0.871 ppm2 4.299 CV 1 ASSI { 1081} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1146 and name HA )) 3.900 1.900 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.65046E-03 ppm1 0.872 ppm2 4.206 CV 1 ASSI { 1082} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1142 and name HB )) 3.500 1.500 1.500 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.97741E-03 ppm1 0.872 ppm2 4.076 CV 1 ASSI { 1083} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1147 and name HA )) 2.600 0.800 0.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.82529E-02 ppm1 0.870 ppm2 3.657 CV 1 ASSI { 1084} ( segid " " and resid 1147 and name HG1%) (( segid " " and resid 1144 and name HA )) 2.900 2.900 3.100 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.91892E-03 ppm1 0.948 ppm2 4.967 CV 1 ASSI { 1085} ( segid " " and resid 1147 and name HG1%) (( segid " " and resid 1147 and name HA )) 2.100 0.600 0.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.13839E-01 ppm1 0.950 ppm2 3.656 CV 1 ASSI { 1086} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1148 and name HA )) 2.900 1.100 1.100 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 0.871 ppm2 3.465 CV 1 ASSI { 1087} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1147 and name HB )) 3.000 1.100 1.100 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 3.654 ppm2 2.095 CV 1 ASSI { 1089} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1150 and name HG13)) 4.400 2.400 1.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.64015E-03 ppm1 3.660 ppm2 1.661 CV 1 ASSI { 1090} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1147 and name HB )) 2.200 0.600 0.600 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.82529E-02 ppm1 0.871 ppm2 2.092 CV 1 ASSI { 1091} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1144 and name HB2 )) 3.000 1.100 1.100 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 0.871 ppm2 2.527 CV 1 ASSI { 1093} (( segid " " and resid 1147 and name HA )) ( segid " " and resid 1146 and name HB% ) 3.800 1.800 1.800 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.71241E-03 ppm1 3.659 ppm2 1.428 CV 1 ASSI { 1098} ( segid " " and resid 1147 and name HG2%) ( segid " " and resid 1146 and name HB% ) 4.400 2.500 1.600 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.68489E-03 ppm1 0.871 ppm2 1.418 CV 1 ASSI { 1099} ( segid " " and resid 1147 and name HG2%) ( segid " " and resid 1139 and name HB% ) 3.700 1.700 1.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 0.871 ppm2 1.282 CV 1 ASSI { 1100} ( segid " " and resid 1147 and name HG2%) ( segid " " and resid 1142 and name HG2%) 2.300 0.600 0.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.63840E-02 ppm1 0.871 ppm2 1.197 CV 1 ASSI { 1102} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1195 and name H )) 3.700 1.700 1.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.56787E-03 ppm1 4.184 ppm2 7.644 CV 1 ASSI { 1103} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1191 and name H )) 2.500 0.800 0.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.48252E-02 ppm1 4.191 ppm2 7.482 CV 1 ASSI { 1104} (( segid " " and resid 1146 and name HA )) (( segid " " and resid 1147 and name H )) 3.400 1.400 1.400 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 4.191 ppm2 7.199 CV 1 ASSI { 1105} ( segid " " and resid 1146 and name HB% ) (( segid " " and resid 1147 and name H )) 2.300 0.600 0.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.73343E-02 ppm1 1.423 ppm2 7.199 CV 1 ASSI { 1108} ( segid " " and resid 1149 and name HB% ) (( segid " " and resid 1153 and name H )) 3.600 1.700 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.94989E-03 ppm1 1.429 ppm2 9.002 CV 1 ASSI { 1109} ( segid " " and resid 1146 and name HB% ) (( segid " " and resid 1146 and name HA )) 1.900 0.500 0.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27750E-01 ppm1 1.424 ppm2 4.194 CV 1 ASSI { 1118} (( segid " " and resid 1145 and name HG2 )) (( segid " " and resid 1145 and name HB2 )) 2.500 0.800 0.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.35277E-02 ppm1 2.071 ppm2 2.384 CV 1 ASSI { 1119} (( segid " " and resid 1145 and name HG3 )) (( segid " " and resid 1145 and name HB2 )) 2.700 0.900 0.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.41575E-02 ppm1 2.017 ppm2 2.385 CV 1 ASSI { 1124} (( segid " " and resid 1145 and name HG2 )) (( segid " " and resid 1145 and name HA )) 3.300 1.400 1.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.20409E-02 ppm1 2.072 ppm2 4.318 CV 1 ASSI { 1125} (( segid " " and resid 1145 and name HG2 )) (( segid " " and resid 1145 and name HD2 )) 2.300 0.700 0.700 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.44328E-02 ppm1 2.074 ppm2 4.218 CV 1 ASSI { 1126} (( segid " " and resid 1145 and name HG3 )) (( segid " " and resid 1145 and name HD2 )) 2.700 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.47013E-02 ppm1 2.014 ppm2 4.214 CV 1 ASSI { 1127} (( segid " " and resid 1145 and name HD3 )) (( segid " " and resid 1145 and name HA )) 3.400 1.400 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 3.901 ppm2 4.316 CV 1 ASSI { 1128} (( segid " " and resid 1145 and name HA )) (( segid " " and resid 1146 and name H )) 3.100 1.200 1.200 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 4.318 ppm2 8.253 CV 1 ASSI { 1129} (( segid " " and resid 1145 and name HA )) (( segid " " and resid 1148 and name H )) 3.500 1.500 1.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 4.325 ppm2 8.014 CV 1 ASSI { 1130} (( segid " " and resid 1145 and name HA )) (( segid " " and resid 1149 and name H )) 3.500 1.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 4.322 ppm2 7.506 CV 1 ASSI { 1131} (( segid " " and resid 1145 and name HB2 )) (( segid " " and resid 1146 and name H )) 3.700 1.700 1.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 2.382 ppm2 8.261 CV 1 ASSI { 1132} (( segid " " and resid 1145 and name HD2 )) (( segid " " and resid 1146 and name H )) 3.300 1.300 1.300 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.10049E-02 ppm1 4.208 ppm2 8.260 CV 1 ASSI { 1133} (( segid " " and resid 1145 and name HG2 )) (( segid " " and resid 1146 and name H )) 3.000 3.000 3.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.17036E-02 ppm1 2.071 ppm2 8.260 CV 1 ASSI { 1134} (( segid " " and resid 1145 and name HG3 )) (( segid " " and resid 1146 and name H )) 3.700 1.700 1.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.15659E-02 ppm1 2.016 ppm2 8.258 CV 1 ASSI { 1135} (( segid " " and resid 1144 and name HA )) (( segid " " and resid 1146 and name H )) 3.300 1.400 1.400 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.11839E-02 ppm1 4.959 ppm2 8.256 CV 1 ASSI { 1138} (( segid " " and resid 1144 and name HA )) (( segid " " and resid 1145 and name HG2 )) 3.900 1.900 1.900 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.24091E-02 ppm1 4.957 ppm2 2.068 CV 1 ASSI { 1143} (( segid " " and resid 1144 and name HB2 )) (( segid " " and resid 1144 and name HB3 )) 2.300 0.600 0.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.35999E-02 ppm1 2.535 ppm2 2.810 CV 1 ASSI { 1144} (( segid " " and resid 1144 and name HA )) (( segid " " and resid 1144 and name HB2 )) 2.900 1.100 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.23472E-02 ppm1 4.959 ppm2 2.534 CV 1 ASSI { 1145} (( segid " " and resid 1144 and name HA )) (( segid " " and resid 1144 and name HB3 )) 2.800 1.000 1.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.18998E-02 ppm1 4.961 ppm2 2.811 CV 1 ASSI { 1147} (( segid " " and resid 1144 and name HB3 )) ( segid " " and resid 1147 and name HG1%) 3.200 1.300 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.16554E-02 ppm1 2.807 ppm2 0.947 CV 1 ASSI { 1151} (( segid " " and resid 1143 and name HA )) (( segid " " and resid 1143 and name H )) 3.100 1.200 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.13560E-02 ppm1 4.340 ppm2 8.432 CV 1 ASSI { 1152} (( segid " " and resid 1143 and name HA )) (( segid " " and resid 1144 and name H )) 3.100 1.200 1.200 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 4.339 ppm2 7.810 CV 1 ASSI { 1153} (( segid " " and resid 1143 and name HA )) (( segid " " and resid 1142 and name H )) 3.700 1.700 1.700 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.83976E-03 ppm1 4.344 ppm2 7.554 CV 1 ASSI { 1154} (( segid " " and resid 1143 and name HB3 )) (( segid " " and resid 1143 and name H )) 3.500 1.500 1.500 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 3.923 ppm2 8.432 CV 1 ASSI { 1155} (( segid " " and resid 1143 and name HB2 )) (( segid " " and resid 1143 and name H )) 3.500 1.500 1.500 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.90171E-03 ppm1 3.825 ppm2 8.430 CV 1 ASSI { 1156} (( segid " " and resid 1143 and name HA )) (( segid " " and resid 1143 and name HB3 )) 2.400 0.700 0.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.75544E-02 ppm1 4.341 ppm2 3.924 CV 1 ASSI { 1157} (( segid " " and resid 1143 and name HA )) (( segid " " and resid 1143 and name HB2 )) 2.400 0.700 0.700 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.77061E-02 ppm1 4.341 ppm2 3.824 CV 1 ASSI { 1158} (( segid " " and resid 1143 and name HB3 )) (( segid " " and resid 1143 and name HB2 )) 1.700 0.300 0.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.24749E-01 ppm1 3.925 ppm2 3.829 CV 1 ASSI { 1162} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1143 and name H )) 3.000 1.100 1.100 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 1.195 ppm2 8.425 CV 1 ASSI { 1163} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1146 and name H )) 4.200 2.200 1.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.82254E-03 ppm1 1.195 ppm2 8.262 CV 1 ASSI { 1164} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1148 and name H )) 2.900 1.100 1.100 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.45154E-02 ppm1 1.196 ppm2 8.008 CV 1 ASSI { 1165} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1144 and name H )) 2.300 0.700 0.700 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.64050E-02 ppm1 1.196 ppm2 7.812 CV 1 ASSI { 1166} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1142 and name H )) 2.200 0.600 0.600 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.68869E-02 ppm1 1.196 ppm2 7.542 CV 1 ASSI { 1167} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1141 and name H )) 3.800 1.800 1.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 1.196 ppm2 7.373 CV 1 ASSI { 1168} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1147 and name H )) 3.800 1.800 1.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.21063E-02 ppm1 1.196 ppm2 7.200 CV 1 ASSI { 1171} (( segid " " and resid 1078 and name HA )) (( segid " " and resid 1079 and name H )) 2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.33177E-02 ppm1 4.214 ppm2 8.842 CV 1 ASSI { 1172} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1144 and name HA )) 3.900 1.900 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.83976E-03 ppm1 1.196 ppm2 4.955 CV 1 ASSI { 1173} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1143 and name HA )) 3.100 1.200 1.200 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 1.193 ppm2 4.332 CV 1 ASSI { 1174} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1142 and name HA )) 2.800 1.000 1.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.53139E-02 ppm1 1.196 ppm2 4.217 CV 1 ASSI { 1175} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1142 and name HB )) 2.200 0.600 0.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.75128E-02 ppm1 1.196 ppm2 4.073 CV 1 ASSI { 1176} (( segid " " and resid 1142 and name HA )) (( segid " " and resid 1142 and name HB )) 2.700 0.900 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 4.214 ppm2 4.074 CV 1 ASSI { 1178} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1139 and name HA )) 2.400 0.700 0.700 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.39923E-02 ppm1 1.196 ppm2 3.767 CV 1 ASSI { 1179} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1148 and name HA )) 2.700 0.900 0.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.43227E-02 ppm1 1.196 ppm2 3.462 CV 1 ASSI { 1181} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1144 and name HB3 )) 3.600 1.600 1.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.23782E-02 ppm1 1.196 ppm2 2.812 CV 1 ASSI { 1182} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1144 and name HB2 )) 3.200 1.300 1.300 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.20615E-02 ppm1 1.195 ppm2 2.533 CV 1 ASSI { 1183} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1148 and name HG3 )) 2.500 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.33177E-02 ppm1 1.196 ppm2 2.398 CV 1 ASSI { 1184} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1148 and name HG2 )) 2.100 0.500 0.500 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.10955E-01 ppm1 1.196 ppm2 2.090 CV 1 ASSI { 1185} ( segid " " and resid 1142 and name HG2%) (( segid " " and resid 1148 and name HB3 )) 3.500 1.500 1.500 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.29322E-02 ppm1 1.196 ppm2 1.908 CV 1 ASSI { 1195} (( segid " " and resid 1141 and name HB2 )) (( segid " " and resid 1141 and name H )) 3.000 1.200 1.200 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.82254E-03 ppm1 1.525 ppm2 7.380 CV 1 ASSI { 1197} ( segid " " and resid 1141 and name HD2%) (( segid " " and resid 1142 and name H )) 2.700 2.700 3.300 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 0.824 ppm2 7.558 CV 1 ASSI { 1198} ( segid " " and resid 1141 and name HD2%) (( segid " " and resid 1141 and name H )) 3.300 1.400 1.400 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.27774E-02 ppm1 0.826 ppm2 7.376 CV 1 ASSI { 1199} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1084 and name H )) 2.900 1.000 1.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 0.646 ppm2 9.345 CV 1 ASSI { 1200} ( segid " " and resid 1141 and name HD2%) (( segid " " and resid 1084 and name H )) 3.300 1.400 1.400 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.12080E-02 ppm1 0.826 ppm2 9.342 CV 1 ASSI { 1201} (( segid " " and resid 1141 and name HB2 )) (( segid " " and resid 1141 and name HA )) 3.500 1.600 1.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.90861E-03 ppm1 1.529 ppm2 4.225 CV 1 ASSI { 1203} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1083 and name HA )) 2.700 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 0.645 ppm2 4.458 CV 1 ASSI { 1204} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1141 and name HA )) 3.300 1.400 1.400 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.39820E-02 ppm1 0.646 ppm2 4.223 CV 1 ASSI { 1205} ( segid " " and resid 1141 and name HD1%) (( segid " " and resid 1084 and name HA )) 2.400 0.700 0.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.45636E-02 ppm1 0.647 ppm2 4.154 CV 1 ASSI { 1206} ( segid " " and resid 1141 and name HD2%) (( segid " " and resid 1083 and name HA )) 2.900 1.000 1.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 0.823 ppm2 4.459 CV 1 ASSI { 1207} ( segid " " and resid 1141 and name HD2%) (( segid " " and resid 1141 and name HA )) 2.000 0.500 0.500 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.19900E-01 ppm1 0.821 ppm2 4.226 CV 1 ASSI { 1208} ( segid " " and resid 1141 and name HD2%) (( segid " " and resid 1141 and name HB3 )) 2.200 0.600 0.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.85387E-02 ppm1 0.825 ppm2 1.755 CV 1 ASSI { 1210} (( segid " " and resid 1141 and name HB3 )) (( segid " " and resid 1141 and name HB2 )) 2.400 0.700 0.700 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.17759E-02 ppm1 1.754 ppm2 1.546 CV 1 ASSI { 1211} ( segid " " and resid 1105 and name HD1%) ( segid " " and resid 1050 and name HE% ) 2.900 1.100 1.100 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.30218E-02 ppm1 0.686 ppm2 1.841 CV 1 ASSI { 1212} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1166 and name HG13)) 3.300 1.400 1.400 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 0.687 ppm2 1.694 CV 1 ASSI { 1213} (( segid " " and resid 1076 and name HA )) (( segid " " and resid 1076 and name HB3 )) 2.900 1.100 1.100 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.18929E-02 ppm1 4.267 ppm2 1.857 CV 1 ASSI { 1214} (( segid " " and resid 1141 and name HA )) (( segid " " and resid 1141 and name HB3 )) 2.600 0.900 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.26225E-02 ppm1 4.224 ppm2 1.757 CV 1 ASSI { 1217} (( segid " " and resid 1141 and name HB2 )) ( segid " " and resid 1141 and name HD2%) 4.000 2.000 2.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.96711E-03 ppm1 1.529 ppm2 0.827 CV 1 ASSI { 1218} (( segid " " and resid 1141 and name HB2 )) ( segid " " and resid 1141 and name HD1%) 3.200 1.300 1.300 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.89480E-03 ppm1 1.521 ppm2 0.650 CV 1 ASSI { 1224} (( segid " " and resid 1140 and name HA )) ( segid " " and resid 1076 and name HD2%) 3.300 1.400 1.400 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.16485E-02 ppm1 3.760 ppm2 0.884 CV 1 ASSI { 1226} ( segid " " and resid 1140 and name HB% ) ( segid " " and resid 1076 and name HD2%) 2.700 0.900 0.900 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.32076E-02 ppm1 1.166 ppm2 0.886 CV 1 ASSI { 1227} ( segid " " and resid 1140 and name HB% ) ( segid " " and resid 1076 and name HD1%) 2.700 0.900 0.900 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.41299E-02 ppm1 1.166 ppm2 0.742 CV 1 ASSI { 1228} ( segid " " and resid 1140 and name HB% ) ( segid " " and resid 1141 and name HD1%) 3.600 1.600 1.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 1.166 ppm2 0.654 CV 1 ASSI { 1229} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1078 and name HB3 )) 2.800 1.000 1.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.26466E-02 ppm1 1.166 ppm2 1.967 CV 1 ASSI { 1230} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1076 and name HB3 )) 2.900 1.100 1.100 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.17346E-02 ppm1 1.166 ppm2 1.855 CV 1 ASSI { 1232} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1141 and name HG )) 2.900 1.000 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.24883E-02 ppm1 1.167 ppm2 1.566 CV 1 ASSI { 1233} (( segid " " and resid 1140 and name HA )) (( segid " " and resid 1076 and name HB3 )) 3.400 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.78811E-03 ppm1 3.762 ppm2 1.856 CV 1 ASSI { 1234} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1140 and name HA )) 2.100 0.600 0.600 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.11568E-01 ppm1 1.166 ppm2 3.763 CV 1 ASSI { 1235} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1078 and name HA )) 2.400 0.700 0.700 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.62054E-02 ppm1 1.166 ppm2 4.223 CV 1 ASSI { 1238} (( segid " " and resid 1140 and name HA )) (( segid " " and resid 1142 and name H )) 3.300 1.300 1.300 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.12527E-02 ppm1 3.762 ppm2 7.550 CV 1 ASSI { 1239} (( segid " " and resid 1140 and name HA )) (( segid " " and resid 1141 and name H )) 3.500 1.500 1.500 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.86382E-03 ppm1 3.763 ppm2 7.379 CV 1 ASSI { 1240} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1141 and name H )) 2.700 0.900 0.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.31904E-02 ppm1 1.166 ppm2 7.378 CV 1 ASSI { 1241} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1140 and name H )) 2.200 0.600 0.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.91271E-02 ppm1 1.166 ppm2 8.582 CV 1 ASSI { 1243} (( segid " " and resid 1139 and name HA )) (( segid " " and resid 1139 and name H )) 2.700 0.900 0.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.23954E-02 ppm1 3.766 ppm2 8.419 CV 1 ASSI { 1245} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1139 and name H )) 2.200 0.600 0.600 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.86763E-02 ppm1 1.304 ppm2 8.419 CV 1 ASSI { 1246} ( segid " " and resid 1053 and name HB% ) (( segid " " and resid 1052 and name H )) 4.100 2.100 1.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.97396E-03 ppm1 1.349 ppm2 8.201 CV 1 ASSI { 1248} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1152 and name H )) 3.800 1.800 1.800 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 1.304 ppm2 7.366 CV 1 ASSI { 1249} (( segid " " and resid 1139 and name HA )) (( segid " " and resid 1142 and name HB )) 3.700 1.700 1.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 3.765 ppm2 4.072 CV 1 ASSI { 1250} ( segid " " and resid 1053 and name HB% ) (( segid " " and resid 1053 and name HA )) 2.200 0.600 0.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.11526E-01 ppm1 1.351 ppm2 3.961 CV 1 ASSI { 1251} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1139 and name HA )) 2.000 0.500 0.500 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.13405E-01 ppm1 1.305 ppm2 3.760 CV 1 ASSI { 1253} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1148 and name HA )) 2.800 1.000 1.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.28083E-02 ppm1 1.304 ppm2 3.465 CV 1 ASSI { 1256} (( segid " " and resid 1139 and name HA )) (( segid " " and resid 1148 and name HG2 )) 2.600 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.18516E-02 ppm1 3.766 ppm2 2.077 CV 1 ASSI { 1258} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1151 and name HB )) 3.100 1.200 1.200 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.59472E-02 ppm1 1.305 ppm2 2.057 CV 1 ASSI { 1259} ( segid " " and resid 1139 and name HB% ) (( segid " " and resid 1148 and name HB3 )) 2.300 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.54344E-02 ppm1 1.305 ppm2 1.913 CV 1 ASSI { 1262} (( segid " " and resid 1132 and name HA )) ( segid " " and resid 1064 and name HD1%) 2.900 1.100 1.100 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.30321E-02 ppm1 3.757 ppm2 0.842 CV 1 ASSI { 1263} ( segid " " and resid 1139 and name HB% ) ( segid " " and resid 1151 and name HG2%) 2.500 0.800 0.800 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.10012E-01 ppm1 1.305 ppm2 0.849 CV 1 ASSI { 1264} ( segid " " and resid 1139 and name HB% ) ( segid " " and resid 1076 and name HD1%) 2.200 0.600 0.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.91787E-02 ppm1 1.305 ppm2 0.738 CV 1 ASSI { 1265} ( segid " " and resid 1139 and name HB% ) ( segid " " and resid 1152 and name HD1%) 2.500 0.800 0.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.68143E-02 ppm1 1.304 ppm2 0.632 CV 1 ASSI { 1267} (( segid " " and resid 1088 and name HA )) (( segid " " and resid 1088 and name H )) 2.900 1.000 1.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.19652E-02 ppm1 3.719 ppm2 8.373 CV 1 ASSI { 1268} (( segid " " and resid 1138 and name HA )) (( segid " " and resid 1138 and name H )) 2.700 0.900 0.900 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.26397E-02 ppm1 3.474 ppm2 8.375 CV 1 ASSI { 1269} (( segid " " and resid 1138 and name HA )) (( segid " " and resid 1141 and name H )) 3.400 1.400 1.400 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.83285E-03 ppm1 3.477 ppm2 7.379 CV 1 ASSI { 1271} (( segid " " and resid 1062 and name HB3 )) (( segid " " and resid 1063 and name H )) 2.400 0.700 0.700 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.56855E-02 ppm1 1.968 ppm2 8.265 CV 1 OR { 1271} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1063 and name H )) ASSI { 1272} (( segid " " and resid 1062 and name HB3 )) (( segid " " and resid 1062 and name H )) 2.200 0.600 0.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.76750E-02 ppm1 1.969 ppm2 7.411 CV 1 OR { 1272} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1062 and name H )) ASSI { 1274} (( segid " " and resid 1138 and name HB )) (( segid " " and resid 1138 and name HA )) 3.300 1.400 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.99117E-03 ppm1 1.971 ppm2 3.477 CV 1 ASSI { 1275} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1062 and name HA )) 2.300 0.700 0.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.78126E-02 ppm1 1.969 ppm2 3.979 CV 1 OR { 1275} (( segid " " and resid 1062 and name HB3 )) (( segid " " and resid 1062 and name HA )) ASSI { 1276} (( segid " " and resid 1062 and name HB3 )) (( segid " " and resid 1059 and name HA )) 2.600 0.800 0.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.42745E-02 ppm1 1.970 ppm2 4.486 CV 1 OR { 1276} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1059 and name HA )) ASSI { 1281} (( segid " " and resid 1138 and name HB )) ( segid " " and resid 1151 and name HG2%) 2.500 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.30390E-02 ppm1 1.967 ppm2 0.840 CV 1 ASSI { 1282} (( segid " " and resid 1138 and name HB )) ( segid " " and resid 1138 and name HG1%) 2.700 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.23713E-02 ppm1 1.967 ppm2 0.755 CV 1 ASSI { 1284} (( segid " " and resid 1138 and name HA )) ( segid " " and resid 1141 and name HD2%) 3.500 1.500 1.500 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.29322E-02 ppm1 3.484 ppm2 0.839 CV 1 ASSI { 1285} (( segid " " and resid 1138 and name HA )) ( segid " " and resid 1138 and name HG1%) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.30080E-02 ppm1 3.475 ppm2 0.754 CV 1 ASSI { 1287} (( segid " " and resid 1138 and name HA )) (( segid " " and resid 1141 and name HB3 )) 4.100 2.100 1.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 3.480 ppm2 1.752 CV 1 ASSI { 1288} (( segid " " and resid 1138 and name HA )) (( segid " " and resid 1141 and name HG )) 3.400 1.400 1.400 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 3.492 ppm2 1.562 CV 1 ASSI { 1289} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1138 and name H )) 3.300 1.300 1.300 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.41506E-02 ppm1 0.752 ppm2 8.387 CV 1 ASSI { 1290} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1142 and name H )) 3.500 1.500 1.500 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 0.751 ppm2 7.540 CV 1 ASSI { 1293} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1142 and name HA )) 3.900 1.900 1.900 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 0.752 ppm2 4.231 CV 1 ASSI { 1294} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1084 and name HA )) 3.700 1.700 1.700 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 0.752 ppm2 4.146 CV 1 ASSI { 1295} ( segid " " and resid 1138 and name HG1%) (( segid " " and resid 1142 and name HB )) 3.200 1.300 1.300 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 0.754 ppm2 4.084 CV 1 ASSI { 1298} ( segid " " and resid 1138 and name HG2%) (( segid " " and resid 1084 and name HA )) 2.900 1.000 1.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 0.916 ppm2 4.135 CV 1 ASSI { 1299} ( segid " " and resid 1138 and name HG2%) (( segid " " and resid 1138 and name H )) 2.200 0.600 0.600 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.98567E-02 ppm1 0.914 ppm2 8.373 CV 1 ASSI { 1302} ( segid " " and resid 1138 and name HG2%) (( segid " " and resid 1087 and name HB3 )) 2.700 0.900 0.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.26156E-02 ppm1 0.915 ppm2 2.450 CV 1 ASSI { 1303} ( segid " " and resid 1138 and name HG2%) (( segid " " and resid 1138 and name HB )) 2.200 0.600 0.600 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.77611E-02 ppm1 0.916 ppm2 1.973 CV 1 ASSI { 1304} ( segid " " and resid 1138 and name HG1%) ( segid " " and resid 1088 and name HG2%) 2.800 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.31319E-02 ppm1 0.753 ppm2 1.239 CV 1 ASSI { 1305} ( segid " " and resid 1138 and name HG1%) ( segid " " and resid 1138 and name HG2%) 2.000 0.500 0.500 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.17955E-01 ppm1 0.753 ppm2 0.924 CV 1 ASSI { 1306} ( segid " " and resid 1138 and name HG1%) ( segid " " and resid 1151 and name HG2%) 1.900 0.400 0.400 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.31735E-01 ppm1 0.753 ppm2 0.840 CV 1 ASSI { 1307} ( segid " " and resid 1138 and name HG2%) ( segid " " and resid 1088 and name HG2%) 2.600 0.800 0.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.38890E-02 ppm1 0.917 ppm2 1.246 CV 1 ASSI { 1309} (( segid " " and resid 1137 and name HA3 )) (( segid " " and resid 1137 and name HA2 )) 2.400 0.700 0.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.26535E-02 ppm1 4.244 ppm2 3.804 CV 1 ASSI { 1311} (( segid " " and resid 1137 and name HA2 )) ( segid " " and resid 1140 and name HB% ) 3.400 1.400 1.400 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.66082E-03 ppm1 3.798 ppm2 1.171 CV 1 ASSI { 1312} (( segid " " and resid 1137 and name HA2 )) (( segid " " and resid 1138 and name H )) 3.700 1.700 1.700 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.87073E-03 ppm1 3.807 ppm2 8.367 CV 1 ASSI { 1313} (( segid " " and resid 1137 and name HA2 )) (( segid " " and resid 1137 and name H )) 3.200 1.300 1.300 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.19514E-02 ppm1 3.806 ppm2 7.666 CV 1 ASSI { 1314} (( segid " " and resid 1137 and name HA3 )) (( segid " " and resid 1137 and name H )) 2.700 0.900 0.900 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.21338E-02 ppm1 4.242 ppm2 7.666 CV 1 ASSI { 1315} (( segid " " and resid 1137 and name HA3 )) (( segid " " and resid 1138 and name H )) 3.200 1.300 1.300 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.98772E-03 ppm1 4.242 ppm2 8.373 CV 1 ASSI { 1316} (( segid " " and resid 1137 and name HA3 )) ( segid " " and resid 1140 and name HB% ) 4.400 2.500 1.600 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.71241E-03 ppm1 4.231 ppm2 1.151 CV 1 ASSI { 1317} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1136 and name H )) 2.800 1.000 1.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.20787E-02 ppm1 3.565 ppm2 7.862 CV 1 ASSI { 1318} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1137 and name H )) 3.400 1.500 1.500 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.90516E-03 ppm1 3.570 ppm2 7.661 CV 1 ASSI { 1319} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1140 and name H )) 3.800 1.800 1.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.51280E-03 ppm1 3.559 ppm2 8.584 CV 1 ASSI { 1320} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1139 and name H )) 3.400 1.500 1.500 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.69180E-03 ppm1 3.565 ppm2 8.424 CV 1 ASSI { 1321} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1136 and name HB2 )) 3.100 1.200 1.200 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 3.566 ppm2 1.957 CV 1 ASSI { 1322} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1136 and name HB3 )) 2.800 1.000 1.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 3.564 ppm2 1.849 CV 1 ASSI { 1323} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1136 and name HG2 )) 3.200 1.300 1.300 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.14489E-02 ppm1 3.563 ppm2 1.683 CV 1 ASSI { 1324} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1136 and name HG3 )) 3.300 1.400 1.400 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 3.562 ppm2 1.519 CV 1 ASSI { 1325} (( segid " " and resid 1136 and name HA )) ( segid " " and resid 1139 and name HB% ) 3.000 1.100 1.100 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 3.564 ppm2 1.302 CV 1 ASSI { 1326} (( segid " " and resid 1136 and name HA )) ( segid " " and resid 1135 and name HB% ) 3.500 1.500 1.500 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 3.562 ppm2 1.199 CV 1 ASSI { 1329} (( segid " " and resid 1136 and name HA )) ( segid " " and resid 1152 and name HD1%) 3.700 1.700 1.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.90516E-03 ppm1 3.568 ppm2 0.633 CV 1 ASSI { 1331} (( segid " " and resid 1135 and name HA )) ( segid " " and resid 1155 and name HB% ) 3.700 1.700 1.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.17862E-02 ppm1 3.677 ppm2 1.280 CV 1 ASSI { 1333} (( segid " " and resid 1135 and name HA )) ( segid " " and resid 1138 and name HG2%) 2.900 1.000 1.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.24436E-02 ppm1 3.676 ppm2 0.918 CV 1 ASSI { 1335} (( segid " " and resid 1135 and name HA )) ( segid " " and resid 1138 and name HG1%) 3.600 1.600 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.16279E-02 ppm1 3.675 ppm2 0.755 CV 1 ASSI { 1339} ( segid " " and resid 1135 and name HB% ) ( segid " " and resid 1152 and name HD1%) 4.200 2.200 1.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.63324E-03 ppm1 1.200 ppm2 0.645 CV 1 ASSI { 1342} (( segid " " and resid 1135 and name HA )) (( segid " " and resid 1138 and name HB )) 2.800 1.000 1.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.20409E-02 ppm1 3.676 ppm2 1.972 CV 1 ASSI { 1343} (( segid " " and resid 1135 and name HA )) (( segid " " and resid 1091 and name HB2 )) 3.600 1.600 1.600 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.68489E-03 ppm1 3.679 ppm2 1.886 CV 1 ASSI { 1345} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1135 and name HA )) 2.100 0.600 0.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.11299E-01 ppm1 1.196 ppm2 3.686 CV 1 ASSI { 1346} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1138 and name H )) 3.700 1.700 1.700 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.12906E-02 ppm1 1.196 ppm2 8.380 CV 1 ASSI { 1347} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1134 and name H )) 3.800 1.800 1.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 1.196 ppm2 8.067 CV 1 ASSI { 1348} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1136 and name H )) 2.500 0.800 0.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.42848E-02 ppm1 1.197 ppm2 7.859 CV 1 ASSI { 1349} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1155 and name H )) 3.700 1.700 1.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.96711E-03 ppm1 1.195 ppm2 7.744 CV 1 ASSI { 1350} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1137 and name H )) 4.100 2.100 1.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.76059E-03 ppm1 1.198 ppm2 7.665 CV 1 ASSI { 1351} (( segid " " and resid 1135 and name HA )) (( segid " " and resid 1136 and name H )) 3.500 1.500 1.500 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.86728E-03 ppm1 3.677 ppm2 7.861 CV 1 ASSI { 1352} (( segid " " and resid 1135 and name HA )) (( segid " " and resid 1138 and name H )) 3.000 1.100 1.100 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.18551E-02 ppm1 3.676 ppm2 8.377 CV 1 ASSI { 1353} ( segid " " and resid 1135 and name HB% ) (( segid " " and resid 1135 and name H )) 2.200 0.600 0.600 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.96231E-02 ppm1 1.196 ppm2 8.812 CV 1 ASSI { 1354} (( segid " " and resid 1135 and name HA )) (( segid " " and resid 1135 and name H )) 2.800 0.900 0.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.27258E-02 ppm1 3.675 ppm2 8.813 CV 1 ASSI { 1355} (( segid " " and resid 1134 and name HA )) (( segid " " and resid 1135 and name H )) 3.200 1.300 1.300 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 4.321 ppm2 8.811 CV 1 ASSI { 1357} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1135 and name H )) 2.600 0.800 0.800 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.43399E-02 ppm1 1.532 ppm2 8.812 CV 1 ASSI { 1358} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1091 and name H )) 2.800 1.000 1.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.36034E-02 ppm1 1.532 ppm2 8.467 CV 1 ASSI { 1359} (( segid " " and resid 1134 and name HA )) (( segid " " and resid 1138 and name H )) 3.500 1.500 1.500 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.76750E-03 ppm1 4.319 ppm2 8.366 CV 1 ASSI { 1360} (( segid " " and resid 1134 and name HA )) (( segid " " and resid 1134 and name H )) 2.800 1.000 1.000 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.27395E-02 ppm1 4.321 ppm2 8.069 CV 1 ASSI { 1361} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1134 and name H )) 2.200 0.600 0.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.89790E-02 ppm1 1.532 ppm2 8.069 CV 1 ASSI { 1363} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1137 and name H )) 4.100 2.100 1.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.61603E-03 ppm1 1.533 ppm2 7.664 CV 1 ASSI { 1365} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1134 and name HA )) 2.300 0.700 0.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.85867E-02 ppm1 1.532 ppm2 4.323 CV 1 ASSI { 1367} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1091 and name HA )) 2.600 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.43330E-02 ppm1 1.532 ppm2 3.830 CV 1 ASSI { 1368} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1135 and name HA )) 3.400 1.400 1.400 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.13181E-02 ppm1 1.532 ppm2 3.687 CV 1 ASSI { 1370} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1133 and name HB3 )) 2.900 2.900 3.100 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.94989E-03 ppm1 1.530 ppm2 2.157 CV 1 ASSI { 1371} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1133 and name HB2 )) 3.700 1.700 1.700 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.88104E-03 ppm1 1.530 ppm2 2.056 CV 1 ASSI { 1372} ( segid " " and resid 1134 and name HB% ) (( segid " " and resid 1091 and name HB2 )) 2.700 0.900 0.900 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.26053E-02 ppm1 1.530 ppm2 1.874 CV 1 ASSI { 1373} ( segid " " and resid 1134 and name HB% ) ( segid " " and resid 1138 and name HG2%) 3.000 1.200 1.200 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.17897E-02 ppm1 1.531 ppm2 0.915 CV 1 ASSI { 1374} ( segid " " and resid 1134 and name HB% ) ( segid " " and resid 1091 and name HD1%) 2.500 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.48183E-02 ppm1 1.532 ppm2 0.829 CV 1 ASSI { 1375} (( segid " " and resid 1134 and name HA )) ( segid " " and resid 1091 and name HD1%) 4.500 2.500 1.500 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.61263E-03 ppm1 4.317 ppm2 0.822 CV 1 ASSI { 1376} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1185 and name HB3 )) 3.100 1.200 1.200 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.22026E-02 ppm1 3.900 ppm2 1.494 CV 1 OR { 1376} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1185 and name HG )) ASSI { 1377} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1185 and name HB2 )) 2.800 1.000 1.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.19858E-02 ppm1 3.902 ppm2 1.756 CV 1 ASSI { 1379} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1182 and name HG2 )) 3.000 1.100 1.100 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.21441E-02 ppm1 3.900 ppm2 2.348 CV 1 ASSI { 1381} (( segid " " and resid 1133 and name HA )) (( segid " " and resid 1133 and name HB3 )) 2.500 0.800 0.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.44018E-02 ppm1 3.927 ppm2 2.159 CV 1 ASSI { 1383} (( segid " " and resid 1133 and name HA )) (( segid " " and resid 1133 and name HB2 )) 2.800 1.000 1.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.39407E-02 ppm1 3.927 ppm2 2.063 CV 1 ASSI { 1389} (( segid " " and resid 1194 and name HB3 )) (( segid " " and resid 1194 and name HA )) 2.500 0.800 0.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.37204E-02 ppm1 2.014 ppm2 4.050 CV 1 ASSI { 1391} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HA )) 2.500 0.800 0.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.43020E-02 ppm1 2.420 ppm2 3.932 CV 1 ASSI { 1392} (( segid " " and resid 1194 and name HB2 )) (( segid " " and resid 1191 and name HA )) 2.600 0.800 0.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.30149E-02 ppm1 2.148 ppm2 4.172 CV 1 ASSI { 1393} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1130 and name HA )) 3.900 1.900 1.900 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 2.422 ppm2 4.155 CV 1 ASSI { 1394} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HE22)) 3.800 1.800 1.800 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.13560E-02 ppm1 2.423 ppm2 6.724 CV 1 ASSI { 1396} (( segid " " and resid 1133 and name HG3 )) (( segid " " and resid 1133 and name HE21)) 2.500 0.800 0.800 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.30837E-02 ppm1 2.317 ppm2 7.453 CV 1 ASSI { 1397} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HE21)) 2.900 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.24676E-02 ppm1 2.421 ppm2 7.454 CV 1 ASSI { 1398} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name H )) 3.100 1.200 1.200 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.35483E-02 ppm1 2.425 ppm2 7.755 CV 1 ASSI { 1399} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1182 and name H )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.26638E-02 ppm1 2.349 ppm2 7.799 CV 1 ASSI { 1400} (( segid " " and resid 1133 and name HG3 )) (( segid " " and resid 1133 and name H )) 2.500 0.800 0.800 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.32386E-02 ppm1 2.319 ppm2 7.758 CV 1 ASSI { 1401} (( segid " " and resid 1133 and name HB2 )) (( segid " " and resid 1133 and name H )) 2.500 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.31697E-02 ppm1 2.061 ppm2 7.756 CV 1 ASSI { 1403} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1182 and name H )) 2.700 0.900 0.900 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.27877E-02 ppm1 3.900 ppm2 7.807 CV 1 ASSI { 1404} (( segid " " and resid 1133 and name HA )) (( segid " " and resid 1133 and name H )) 2.700 0.900 0.900 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.28944E-02 ppm1 3.929 ppm2 7.760 CV 1 ASSI { 1405} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1134 and name H )) 3.700 1.800 1.800 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.17174E-02 ppm1 2.405 ppm2 8.087 CV 1 ASSI { 1406} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1183 and name H )) 3.000 1.100 1.100 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.21304E-02 ppm1 3.906 ppm2 8.043 CV 1 ASSI { 1407} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1185 and name H )) 3.200 1.300 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 3.895 ppm2 7.940 CV 1 ASSI { 1408} (( segid " " and resid 1133 and name HA )) (( segid " " and resid 1136 and name H )) 3.100 1.200 1.200 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 3.928 ppm2 7.853 CV 1 ASSI { 1409} (( segid " " and resid 1089 and name HB2 )) (( segid " " and resid 1090 and name H )) 2.700 0.900 0.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.26294E-02 ppm1 2.153 ppm2 9.036 CV 1 OR { 1409} (( segid " " and resid 1089 and name HB3 )) (( segid " " and resid 1090 and name H )) ASSI { 1410} (( segid " " and resid 1132 and name HA )) (( segid " " and resid 1135 and name H )) 3.100 1.200 1.200 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 3.732 ppm2 8.814 CV 1 ASSI { 1411} (( segid " " and resid 1132 and name HA )) (( segid " " and resid 1132 and name H )) 2.700 0.900 0.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 3.732 ppm2 8.727 CV 1 ASSI { 1412} (( segid " " and resid 1125 and name HA )) (( segid " " and resid 1126 and name H )) 3.600 1.600 1.600 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.82945E-03 ppm1 3.774 ppm2 8.642 CV 1 ASSI { 1413} (( segid " " and resid 1121 and name HA )) (( segid " " and resid 1124 and name H )) 3.300 1.300 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 3.750 ppm2 8.547 CV 1 ASSI { 1414} (( segid " " and resid 1121 and name HA )) (( segid " " and resid 1121 and name H )) 2.800 0.900 0.900 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.25330E-02 ppm1 3.747 ppm2 8.293 CV 1 ASSI { 1415} (( segid " " and resid 1132 and name HA )) (( segid " " and resid 1133 and name H )) 3.400 1.400 1.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 3.732 ppm2 7.758 CV 1 ASSI { 1416} ( segid " " and resid 1132 and name HB% ) (( segid " " and resid 1132 and name H )) 2.100 0.600 0.600 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.11065E-01 ppm1 1.466 ppm2 8.727 CV 1 ASSI { 1417} ( segid " " and resid 1132 and name HB% ) (( segid " " and resid 1133 and name H )) 2.300 0.700 0.700 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.62124E-02 ppm1 1.469 ppm2 7.766 CV 1 ASSI { 1418} ( segid " " and resid 1132 and name HB% ) (( segid " " and resid 1132 and name HA )) 2.000 0.500 0.500 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.17849E-01 ppm1 1.470 ppm2 3.745 CV 1 ASSI { 1421} (( segid " " and resid 1132 and name HA )) ( segid " " and resid 1135 and name HB% ) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.28669E-02 ppm1 3.733 ppm2 1.197 CV 1 ASSI { 1423} (( segid " " and resid 1132 and name HA )) ( segid " " and resid 1064 and name HD2%) 2.800 1.000 1.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.41093E-02 ppm1 3.735 ppm2 0.822 CV 1 OR { 1423} (( segid " " and resid 1132 and name HA )) ( segid " " and resid 1064 and name HD1%) ASSI { 1427} (( segid " " and resid 1131 and name HB2 )) (( segid " " and resid 1131 and name HB3 )) 2.400 0.700 0.700 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.16073E-02 ppm1 1.709 ppm2 1.924 CV 1 ASSI { 1428} (( segid " " and resid 1167 and name HA )) (( segid " " and resid 1167 and name HB3 )) 2.400 0.700 0.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.46978E-02 ppm1 3.972 ppm2 1.992 CV 1 ASSI { 1429} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1129 and name HB2 )) 2.700 0.900 0.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.34760E-02 ppm1 3.968 ppm2 1.854 CV 1 ASSI { 1430} (( segid " " and resid 1131 and name HA )) (( segid " " and resid 1131 and name HG )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.35518E-02 ppm1 3.965 ppm2 1.590 CV 1 ASSI { 1431} (( segid " " and resid 1131 and name HA )) ( segid " " and resid 1134 and name HB% ) 2.600 0.800 0.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.39303E-02 ppm1 3.969 ppm2 1.516 CV 1 ASSI { 1433} (( segid " " and resid 1131 and name HA )) ( segid " " and resid 1131 and name HD1%) 2.900 1.100 1.100 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.31457E-02 ppm1 3.966 ppm2 0.777 CV 1 ASSI { 1434} (( segid " " and resid 1129 and name HA )) ( segid " " and resid 1060 and name HD1%) 2.600 0.800 0.800 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.31422E-02 ppm1 3.968 ppm2 0.681 CV 1 ASSI { 1436} (( segid " " and resid 1131 and name HB3 )) ( segid " " and resid 1131 and name HD1%) 2.900 1.100 1.100 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 1.924 ppm2 0.753 CV 1 ASSI { 1438} (( segid " " and resid 1131 and name HB2 )) ( segid " " and resid 1131 and name HD1%) 3.900 1.900 1.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 1.709 ppm2 0.749 CV 1 ASSI { 1439} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1129 and name HD2 )) 4.100 2.100 1.900 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.82254E-03 ppm1 3.962 ppm2 3.176 CV 1 OR { 1439} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1129 and name HD3 )) ASSI { 1440} (( segid " " and resid 1131 and name HB3 )) (( segid " " and resid 1128 and name HA )) 3.000 1.100 1.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 1.916 ppm2 4.024 CV 1 ASSI { 1441} (( segid " " and resid 1131 and name HB3 )) (( segid " " and resid 1094 and name HB2 )) 3.900 1.900 1.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 1.918 ppm2 3.990 CV 1 ASSI { 1442} (( segid " " and resid 1131 and name HB2 )) (( segid " " and resid 1128 and name HA )) 3.100 1.200 1.200 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.11288E-02 ppm1 1.705 ppm2 4.027 CV 1 ASSI { 1443} (( segid " " and resid 1131 and name HB2 )) (( segid " " and resid 1131 and name HA )) 2.800 1.000 1.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.14248E-02 ppm1 1.706 ppm2 3.966 CV 1 ASSI { 1445} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1129 and name H )) 2.700 0.900 0.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.27808E-02 ppm1 3.967 ppm2 8.105 CV 1 ASSI { 1446} (( segid " " and resid 1131 and name HA )) (( segid " " and resid 1133 and name H )) 3.800 1.800 1.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.51624E-03 ppm1 3.965 ppm2 7.763 CV 1 ASSI { 1453} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name HB2 )) 2.400 0.700 0.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.49491E-02 ppm1 0.837 ppm2 1.703 CV 1 ASSI { 1455} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1131 and name HG )) 2.100 0.600 0.600 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.10067E-01 ppm1 0.756 ppm2 1.602 CV 1 ASSI { 1456} ( segid " " and resid 1131 and name HD1%) ( segid " " and resid 1135 and name HB% ) 2.400 0.700 0.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.72652E-02 ppm1 0.757 ppm2 1.196 CV 1 ASSI { 1457} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1128 and name HB3 )) 2.500 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.36550E-02 ppm1 0.715 ppm2 1.141 CV 1 ASSI { 1458} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1095 and name HB )) 3.500 1.500 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 0.838 ppm2 4.157 CV 1 ASSI { 1459} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1095 and name HA )) 2.600 2.600 3.400 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.39544E-02 ppm1 0.836 ppm2 3.854 CV 1 ASSI { 1461} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name HA )) 2.300 0.700 0.700 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.50248E-02 ppm1 0.835 ppm2 3.970 CV 1 ASSI { 1462} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name HB3 )) 3.100 1.200 1.200 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.37996E-02 ppm1 0.837 ppm2 1.924 CV 1 ASSI { 1463} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name HG )) 2.100 0.500 0.500 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.10322E-01 ppm1 0.836 ppm2 1.604 CV 1 ASSI { 1464} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1132 and name H )) 2.800 1.000 1.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.37996E-02 ppm1 0.756 ppm2 8.726 CV 1 ASSI { 1465} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1132 and name H )) 3.900 1.900 1.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 0.836 ppm2 8.728 CV 1 ASSI { 1466} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name H )) 3.800 1.800 1.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.17690E-02 ppm1 0.835 ppm2 8.292 CV 1 ASSI { 1468} (( segid " " and resid 1163 and name HA )) ( segid " " and resid 1057 and name HG1%) 2.600 0.900 0.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 3.993 ppm2 0.944 CV 1 OR { 1468} (( segid " " and resid 1163 and name HA )) ( segid " " and resid 1057 and name HG2%) ASSI { 1469} (( segid " " and resid 1094 and name HB2 )) ( segid " " and resid 1131 and name HD2%) 2.700 0.900 0.900 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.27154E-02 ppm1 3.986 ppm2 0.859 CV 1 ASSI { 1470} (( segid " " and resid 1094 and name HB2 )) ( segid " " and resid 1097 and name HB% ) 3.600 1.600 1.600 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 3.991 ppm2 1.510 CV 1 ASSI { 1471} (( segid " " and resid 1163 and name HA )) ( segid " " and resid 1162 and name HB% ) 3.400 1.500 1.500 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.94299E-03 ppm1 3.998 ppm2 1.345 CV 1 ASSI { 1473} (( segid " " and resid 1129 and name HB2 )) (( segid " " and resid 1129 and name HD2 )) 2.800 1.000 1.000 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.26329E-02 ppm1 1.849 ppm2 3.175 CV 1 OR { 1473} (( segid " " and resid 1129 and name HB2 )) (( segid " " and resid 1129 and name HD3 )) ASSI { 1474} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1129 and name HD3 )) 2.400 0.700 0.700 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.50798E-02 ppm1 1.487 ppm2 3.177 CV 1 OR { 1474} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1129 and name HD2 )) ASSI { 1476} (( segid " " and resid 1078 and name HG2 )) (( segid " " and resid 1078 and name HB2 )) 2.400 0.700 0.700 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.36791E-02 ppm1 1.758 ppm2 2.115 CV 1 ASSI { 1477} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1129 and name HB3 )) 3.100 1.200 1.200 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.23506E-02 ppm1 1.487 ppm2 2.033 CV 1 ASSI { 1478} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1128 and name HB2 )) 3.600 3.600 2.400 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.80533E-03 ppm1 1.487 ppm2 1.958 CV 1 ASSI { 1479} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1129 and name HB2 )) 2.400 0.700 0.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.34244E-02 ppm1 1.487 ppm2 1.845 CV 1 ASSI { 1480} (( segid " " and resid 1129 and name HG3 )) (( segid " " and resid 1129 and name HG2 )) 1.900 0.400 0.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.81323E-02 ppm1 1.487 ppm2 1.772 CV 1 ASSI { 1481} (( segid " " and resid 1129 and name HD2 )) (( segid " " and resid 1129 and name HB3 )) 2.500 0.800 0.800 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.52898E-02 ppm1 3.176 ppm2 2.031 CV 1 OR { 1481} (( segid " " and resid 1129 and name HD3 )) (( segid " " and resid 1129 and name HB3 )) ASSI { 1484} (( segid " " and resid 1129 and name HB3 )) (( segid " " and resid 1129 and name HB2 )) 2.100 0.500 0.500 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.50076E-02 ppm1 2.024 ppm2 1.852 CV 1 ASSI { 1486} (( segid " " and resid 1167 and name HA )) (( segid " " and resid 1167 and name HB2 )) 2.800 1.000 1.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.39820E-02 ppm1 3.977 ppm2 2.161 CV 1 ASSI { 1488} (( segid " " and resid 1129 and name HG2 )) (( segid " " and resid 1126 and name HA2 )) 2.600 0.800 0.800 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.34175E-02 ppm1 1.758 ppm2 3.708 CV 1 ASSI { 1490} (( segid " " and resid 1129 and name HD3 )) (( segid " " and resid 1126 and name HA2 )) 2.900 1.000 1.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.18309E-02 ppm1 3.176 ppm2 3.734 CV 1 OR { 1490} (( segid " " and resid 1129 and name HD2 )) (( segid " " and resid 1126 and name HA2 )) ASSI { 1492} (( segid " " and resid 1122 and name HB3 )) (( segid " " and resid 1122 and name HA )) 2.800 1.000 1.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.38236E-02 ppm1 2.000 ppm2 3.894 CV 1 ASSI { 1493} (( segid " " and resid 1064 and name HA )) (( segid " " and resid 1064 and name H )) 2.900 1.100 1.100 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.16279E-02 ppm1 4.026 ppm2 8.416 CV 1 ASSI { 1496} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1163 and name H )) 4.000 2.000 2.000 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.81224E-03 ppm1 0.665 ppm2 8.285 CV 1 ASSI { 1497} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1128 and name H )) 3.000 1.200 1.200 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.35518E-02 ppm1 0.668 ppm2 8.127 CV 1 ASSI { 1498} (( segid " " and resid 1064 and name HA )) (( segid " " and resid 1067 and name HB )) 2.500 0.800 0.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.31457E-02 ppm1 4.026 ppm2 2.010 CV 1 ASSI { 1500} (( segid " " and resid 1064 and name HA )) (( segid " " and resid 1064 and name HB2 )) 3.100 1.200 1.200 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.20202E-02 ppm1 4.026 ppm2 1.846 CV 1 ASSI { 1503} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1128 and name HB3 )) 2.800 1.000 1.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.17242E-02 ppm1 4.030 ppm2 1.147 CV 1 ASSI { 1504} (( segid " " and resid 1128 and name HA )) ( segid " " and resid 1098 and name HG1%) 3.600 1.600 1.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.81909E-03 ppm1 4.041 ppm2 1.027 CV 1 ASSI { 1507} (( segid " " and resid 1079 and name HA )) (( segid " " and resid 1079 and name HG )) 3.000 1.100 1.100 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 4.499 ppm2 1.594 CV 1 ASSI { 1512} (( segid " " and resid 1079 and name HA )) (( segid " " and resid 1079 and name H )) 3.200 1.200 1.200 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 4.498 ppm2 8.847 CV 1 ASSI { 1513} ( segid " " and resid 1079 and name HD2%) (( segid " " and resid 1079 and name H )) 3.300 1.400 1.400 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.31250E-02 ppm1 0.776 ppm2 8.845 CV 1 ASSI { 1514} (( segid " " and resid 1079 and name HG )) (( segid " " and resid 1079 and name H )) 3.400 1.400 1.400 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.18998E-02 ppm1 1.591 ppm2 8.842 CV 1 ASSI { 1516} (( segid " " and resid 1079 and name HB2 )) (( segid " " and resid 1079 and name HA )) 3.500 1.500 1.500 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.99808E-03 ppm1 1.309 ppm2 4.495 CV 1 ASSI { 1517} ( segid " " and resid 1079 and name HD2%) (( segid " " and resid 1079 and name HA )) 3.300 1.400 1.400 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.29770E-02 ppm1 0.778 ppm2 4.500 CV 1 ASSI { 1519} (( segid " " and resid 1079 and name HB2 )) (( segid " " and resid 1078 and name HD2 )) 3.600 1.600 1.600 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.73653E-03 ppm1 1.317 ppm2 3.500 CV 1 ASSI { 1520} ( segid " " and resid 1079 and name HD2%) (( segid " " and resid 1078 and name HD2 )) 2.600 2.600 3.400 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.17621E-02 ppm1 0.776 ppm2 3.502 CV 1 ASSI { 1521} (( segid " " and resid 1079 and name HG )) (( segid " " and resid 1078 and name HD2 )) 3.800 1.800 1.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.68834E-03 ppm1 1.596 ppm2 3.499 CV 1 ASSI { 1522} (( segid " " and resid 1079 and name HA )) (( segid " " and resid 1079 and name HB3 )) 2.700 0.900 0.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.26363E-02 ppm1 4.498 ppm2 1.374 CV 1 ASSI { 1523} (( segid " " and resid 1079 and name HB2 )) (( segid " " and resid 1079 and name HB3 )) 2.400 0.700 0.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.21338E-02 ppm1 1.311 ppm2 1.378 CV 1 ASSI { 1526} ( segid " " and resid 1079 and name HD2%) (( segid " " and resid 1079 and name HB2 )) 2.200 0.600 0.600 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 0.773 ppm2 1.314 CV 1 ASSI { 1527} (( segid " " and resid 1079 and name HG )) (( segid " " and resid 1079 and name HB3 )) 3.000 1.100 1.100 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 1.590 ppm2 1.376 CV 1 ASSI { 1528} (( segid " " and resid 1079 and name HG )) (( segid " " and resid 1079 and name HB2 )) 3.300 1.400 1.400 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 1.591 ppm2 1.312 CV 1 ASSI { 1533} (( segid " " and resid 1128 and name HB2 )) ( segid " " and resid 1128 and name HD1%) 3.000 1.100 1.100 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.14834E-02 ppm1 1.931 ppm2 0.681 CV 1 ASSI { 1535} (( segid " " and resid 1128 and name HB3 )) (( segid " " and resid 1128 and name HB2 )) 2.500 0.800 0.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.16451E-02 ppm1 1.147 ppm2 1.943 CV 1 ASSI { 1537} (( segid " " and resid 1128 and name HB3 )) (( segid " " and resid 1125 and name HA )) 4.500 2.600 1.500 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.54034E-03 ppm1 1.151 ppm2 3.781 CV 1 ASSI { 1538} (( segid " " and resid 1128 and name HB2 )) (( segid " " and resid 1128 and name HA )) 3.900 1.900 1.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.48527E-03 ppm1 1.938 ppm2 4.037 CV 1 ASSI { 1539} (( segid " " and resid 1128 and name HB2 )) (( segid " " and resid 1125 and name HA )) 3.400 1.500 1.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.53690E-03 ppm1 1.940 ppm2 3.776 CV 1 ASSI { 1543} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1128 and name H )) 3.000 1.100 1.100 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.37410E-02 ppm1 0.715 ppm2 8.124 CV 1 ASSI { 1544} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1132 and name H )) 3.900 1.900 1.900 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.90861E-03 ppm1 0.713 ppm2 8.720 CV 1 ASSI { 1545} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1098 and name H )) 3.000 3.000 3.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.75374E-03 ppm1 0.716 ppm2 8.656 CV 1 ASSI { 1546} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1128 and name HA )) 3.400 1.400 1.400 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.23059E-02 ppm1 0.668 ppm2 4.033 CV 1 ASSI { 1547} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1162 and name HA )) 3.700 1.700 1.700 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 0.667 ppm2 3.922 CV 1 ASSI { 1549} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1128 and name HA )) 2.300 0.600 0.600 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.73477E-02 ppm1 0.715 ppm2 4.039 CV 1 ASSI { 1550} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1159 and name HA )) 2.700 0.900 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.30218E-02 ppm1 0.714 ppm2 3.792 CV 1 ASSI { 1553} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1124 and name HA )) 3.000 1.100 1.100 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.80878E-03 ppm1 0.715 ppm2 3.406 CV 1 ASSI { 1554} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1057 and name HB )) 3.700 1.700 1.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 0.669 ppm2 2.152 CV 1 ASSI { 1555} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1128 and name HG )) 2.200 0.600 0.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.88555E-02 ppm1 0.668 ppm2 1.949 CV 1 OR { 1555} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1128 and name HB2 )) ASSI { 1556} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1158 and name HB )) 3.500 1.500 1.500 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 0.714 ppm2 2.314 CV 1 ASSI { 1557} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1128 and name HG )) 2.200 0.600 0.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.94334E-02 ppm1 0.715 ppm2 1.946 CV 1 OR { 1557} ( segid " " and resid 1128 and name HD2%) (( segid " " and resid 1128 and name HB2 )) ASSI { 1559} ( segid " " and resid 1128 and name HD1%) (( segid " " and resid 1128 and name HB3 )) 2.700 0.900 0.900 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.39235E-02 ppm1 0.667 ppm2 1.147 CV 1 ASSI { 1560} ( segid " " and resid 1128 and name HD1%) ( segid " " and resid 1057 and name HG2%) 2.200 0.600 0.600 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.10377E-01 ppm1 0.668 ppm2 0.952 CV 1 OR { 1560} ( segid " " and resid 1128 and name HD1%) ( segid " " and resid 1057 and name HG1%) ASSI { 1561} ( segid " " and resid 1128 and name HD1%) ( segid " " and resid 1098 and name HG2%) 2.400 0.700 0.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.10197E-01 ppm1 0.668 ppm2 0.854 CV 1 ASSI { 1563} (( segid " " and resid 1128 and name HG )) (( segid " " and resid 1128 and name H )) 2.900 1.100 1.100 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 1.959 ppm2 8.126 CV 1 ASSI { 1564} (( segid " " and resid 1128 and name HG )) (( segid " " and resid 1128 and name HA )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 1.961 ppm2 4.039 CV 1 ASSI { 1565} (( segid " " and resid 1128 and name HG )) ( segid " " and resid 1128 and name HD1%) 2.700 0.900 0.900 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.25606E-02 ppm1 1.959 ppm2 0.687 CV 1 ASSI { 1566} (( segid " " and resid 1127 and name HA2 )) ( segid " " and resid 1098 and name HG1%) 3.800 1.800 1.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 3.508 ppm2 1.023 CV 1 ASSI { 1567} (( segid " " and resid 1127 and name HA2 )) ( segid " " and resid 1097 and name HB% ) 3.700 1.700 1.700 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.62639E-03 ppm1 3.512 ppm2 1.497 CV 1 ASSI { 1568} (( segid " " and resid 1127 and name HA3 )) ( segid " " and resid 1097 and name HB% ) 3.300 1.400 1.400 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.92923E-03 ppm1 3.997 ppm2 1.484 CV 1 ASSI { 1570} (( segid " " and resid 1127 and name HA3 )) (( segid " " and resid 1127 and name HA2 )) 2.200 0.600 0.600 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.48183E-02 ppm1 3.996 ppm2 3.513 CV 1 ASSI { 1573} (( segid " " and resid 1074 and name HA2 )) (( segid " " and resid 1073 and name H )) 4.400 2.400 1.600 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.62294E-03 ppm1 3.983 ppm2 7.521 CV 1 OR { 1573} (( segid " " and resid 1074 and name HA3 )) (( segid " " and resid 1073 and name H )) ASSI { 1574} (( segid " " and resid 1127 and name HA3 )) (( segid " " and resid 1130 and name H )) 4.200 2.200 1.800 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.62294E-03 ppm1 3.987 ppm2 7.398 CV 1 ASSI { 1577} (( segid " " and resid 1126 and name HA2 )) (( segid " " and resid 1126 and name H )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.28083E-02 ppm1 3.732 ppm2 8.639 CV 1 ASSI { 1578} (( segid " " and resid 1126 and name HA2 )) (( segid " " and resid 1127 and name H )) 3.400 1.400 1.400 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.14592E-02 ppm1 3.729 ppm2 8.145 CV 1 ASSI { 1579} (( segid " " and resid 1126 and name HA3 )) (( segid " " and resid 1126 and name H )) 2.600 0.800 0.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.31147E-02 ppm1 3.969 ppm2 8.639 CV 1 ASSI { 1580} (( segid " " and resid 1126 and name HA2 )) (( segid " " and resid 1126 and name HA3 )) 2.100 0.500 0.500 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.62809E-02 ppm1 3.730 ppm2 3.969 CV 1 ASSI { 1582} (( segid " " and resid 1126 and name HA2 )) (( segid " " and resid 1129 and name HB3 )) 3.800 1.800 1.800 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.62639E-03 ppm1 3.729 ppm2 2.021 CV 1 ASSI { 1583} (( segid " " and resid 1126 and name HA3 )) (( segid " " and resid 1129 and name HB3 )) 4.600 2.700 1.400 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.72277E-03 ppm1 3.970 ppm2 2.009 CV 1 ASSI { 1587} (( segid " " and resid 1124 and name HA )) (( segid " " and resid 1124 and name H )) 2.800 1.000 1.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.20684E-02 ppm1 3.405 ppm2 8.548 CV 1 ASSI { 1589} ( segid " " and resid 1124 and name HG1%) (( segid " " and resid 1124 and name H )) 2.200 0.600 0.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.80843E-02 ppm1 0.968 ppm2 8.546 CV 1 ASSI { 1590} ( segid " " and resid 1124 and name HG2%) (( segid " " and resid 1124 and name H )) 2.500 0.800 0.800 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.30286E-02 ppm1 0.752 ppm2 8.545 CV 1 ASSI { 1591} ( segid " " and resid 1124 and name HG2%) (( segid " " and resid 1123 and name H )) 3.500 1.500 1.500 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.16279E-02 ppm1 0.750 ppm2 8.138 CV 1 ASSI { 1592} ( segid " " and resid 1124 and name HG2%) (( segid " " and resid 1122 and name H )) 3.000 1.200 1.200 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.26225E-02 ppm1 0.750 ppm2 7.930 CV 1 ASSI { 1593} (( segid " " and resid 1124 and name HB )) (( segid " " and resid 1125 and name HA )) 3.100 1.200 1.200 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 2.495 ppm2 3.753 CV 1 ASSI { 1595} ( segid " " and resid 1124 and name HG2%) (( segid " " and resid 1122 and name HA )) 3.300 1.400 1.400 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 0.748 ppm2 3.915 CV 1 ASSI { 1596} ( segid " " and resid 1124 and name HG2%) (( segid " " and resid 1121 and name HA )) 2.500 0.800 0.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.35931E-02 ppm1 0.751 ppm2 3.766 CV 1 ASSI { 1597} ( segid " " and resid 1124 and name HG2%) (( segid " " and resid 1124 and name HA )) 2.800 1.000 1.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.60812E-02 ppm1 0.751 ppm2 3.404 CV 1 ASSI { 1598} (( segid " " and resid 1124 and name HA )) (( segid " " and resid 1124 and name HB )) 2.900 1.100 1.100 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 3.408 ppm2 2.501 CV 1 ASSI { 1599} ( segid " " and resid 1124 and name HG1%) (( segid " " and resid 1124 and name HB )) 2.300 0.600 0.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.66082E-02 ppm1 0.968 ppm2 2.506 CV 1 ASSI { 1600} ( segid " " and resid 1124 and name HG2%) (( segid " " and resid 1124 and name HB )) 2.300 0.600 0.600 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.62739E-02 ppm1 0.751 ppm2 2.502 CV 1 ASSI { 1602} (( segid " " and resid 1124 and name HB )) ( segid " " and resid 1101 and name HB% ) 4.400 2.400 1.600 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.89140E-03 ppm1 2.496 ppm2 1.482 CV 1 ASSI { 1603} ( segid " " and resid 1124 and name HG2%) ( segid " " and resid 1053 and name HB% ) 2.700 0.900 0.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.35104E-02 ppm1 0.751 ppm2 1.361 CV 1 ASSI { 1606} (( segid " " and resid 1124 and name HA )) ( segid " " and resid 1098 and name HG2%) 2.600 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.31043E-02 ppm1 3.418 ppm2 0.857 CV 1 ASSI { 1608} (( segid " " and resid 1057 and name HA )) ( segid " " and resid 1060 and name HD1%) 2.600 0.800 0.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.33246E-02 ppm1 3.423 ppm2 0.680 CV 1 ASSI { 1610} (( segid " " and resid 1124 and name HB )) ( segid " " and resid 1128 and name HD1%) 3.100 1.200 1.200 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.12699E-02 ppm1 2.499 ppm2 0.680 CV 1 ASSI { 1613} (( segid " " and resid 1123 and name HB3 )) (( segid " " and resid 1120 and name HA )) 3.100 1.200 1.200 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.26844E-02 ppm1 2.531 ppm2 4.179 CV 1 ASSI { 1615} (( segid " " and resid 1123 and name HA )) (( segid " " and resid 1123 and name HB3 )) 2.700 0.900 0.900 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.36825E-02 ppm1 4.503 ppm2 2.529 CV 1 ASSI { 1616} (( segid " " and resid 1123 and name HA )) (( segid " " and resid 1123 and name HB2 )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.27464E-02 ppm1 4.505 ppm2 2.948 CV 1 ASSI { 1620} (( segid " " and resid 1123 and name HA )) ( segid " " and resid 1101 and name HB% ) 3.800 1.800 1.800 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.15659E-02 ppm1 4.503 ppm2 1.482 CV 1 ASSI { 1621} (( segid " " and resid 1123 and name HA )) (( segid " " and resid 1126 and name H )) 3.000 1.200 1.200 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.15831E-02 ppm1 4.502 ppm2 8.637 CV 1 ASSI { 1622} (( segid " " and resid 1123 and name HB3 )) (( segid " " and resid 1124 and name H )) 3.300 1.300 1.300 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.82600E-03 ppm1 2.529 ppm2 8.553 CV 1 ASSI { 1623} (( segid " " and resid 1123 and name HB2 )) (( segid " " and resid 1124 and name H )) 3.300 1.400 1.400 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.81909E-03 ppm1 2.948 ppm2 8.545 CV 1 ASSI { 1624} (( segid " " and resid 1122 and name HA )) (( segid " " and resid 1122 and name H )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.32248E-02 ppm1 3.895 ppm2 7.931 CV 1 ASSI { 1625} (( segid " " and resid 1122 and name HA )) (( segid " " and resid 1122 and name HB2 )) 2.700 0.900 0.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.21786E-02 ppm1 3.894 ppm2 2.245 CV 1 ASSI { 1627} ( segid " " and resid 1121 and name HB% ) (( segid " " and resid 1121 and name HA )) 2.200 0.600 0.600 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.84942E-02 ppm1 1.409 ppm2 3.750 CV 1 ASSI { 1628} ( segid " " and resid 1186 and name HB% ) (( segid " " and resid 1188 and name H )) 3.300 1.400 1.400 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.16795E-02 ppm1 1.444 ppm2 8.092 CV 1 ASSI { 1629} ( segid " " and resid 1120 and name HB% ) (( segid " " and resid 1121 and name H )) 2.700 0.900 0.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.30046E-02 ppm1 1.476 ppm2 8.293 CV 1 ASSI { 1630} ( segid " " and resid 1120 and name HB% ) (( segid " " and resid 1120 and name H )) 2.400 0.700 0.700 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.55479E-02 ppm1 1.476 ppm2 7.795 CV 1 ASSI { 1631} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1192 and name H )) 3.300 1.400 1.400 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 4.188 ppm2 8.101 CV 1 ASSI { 1632} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1122 and name H )) 3.500 1.500 1.500 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.85697E-03 ppm1 4.204 ppm2 7.939 CV 1 ASSI { 1633} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1120 and name H )) 2.800 1.000 1.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 4.206 ppm2 7.803 CV 1 ASSI { 1634} ( segid " " and resid 1120 and name HB% ) (( segid " " and resid 1105 and name HA )) 2.500 0.800 0.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.53345E-02 ppm1 1.477 ppm2 3.730 CV 1 ASSI { 1635} ( segid " " and resid 1120 and name HB% ) (( segid " " and resid 1120 and name HA )) 2.200 0.600 0.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.10666E-01 ppm1 1.473 ppm2 4.202 CV 1 ASSI { 1636} ( segid " " and resid 1120 and name HB% ) (( segid " " and resid 1123 and name HB2 )) 3.500 1.600 1.600 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 1.473 ppm2 2.956 CV 1 ASSI { 1637} ( segid " " and resid 1103 and name HB% ) (( segid " " and resid 1104 and name HE3 )) 3.300 1.300 1.300 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 1.473 ppm2 2.827 CV 1 OR { 1637} ( segid " " and resid 1103 and name HB% ) (( segid " " and resid 1104 and name HE2 )) ASSI { 1640} ( segid " " and resid 1103 and name HB% ) (( segid " " and resid 1102 and name HG13)) 2.900 1.100 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.30046E-02 ppm1 1.472 ppm2 1.992 CV 1 ASSI { 1641} ( segid " " and resid 1103 and name HB% ) (( segid " " and resid 1104 and name HB2 )) 3.000 3.000 3.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.44018E-02 ppm1 1.470 ppm2 1.845 CV 1 ASSI { 1642} ( segid " " and resid 1103 and name HB% ) (( segid " " and resid 1102 and name HG12)) 3.300 1.400 1.400 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.22267E-02 ppm1 1.472 ppm2 0.701 CV 1 ASSI { 1643} ( segid " " and resid 1117 and name HB% ) (( segid " " and resid 1117 and name H )) 2.300 0.700 0.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.75890E-02 ppm1 1.302 ppm2 8.520 CV 1 ASSI { 1644} ( segid " " and resid 1149 and name HB% ) (( segid " " and resid 1149 and name H )) 1.900 0.400 0.400 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.29956E-01 ppm1 1.431 ppm2 7.514 CV 1 ASSI { 1645} (( segid " " and resid 1117 and name HA )) (( segid " " and resid 1117 and name H )) 3.000 1.100 1.100 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.18172E-02 ppm1 3.954 ppm2 8.520 CV 1 ASSI { 1646} (( segid " " and resid 1102 and name HA )) (( segid " " and resid 1102 and name H )) 2.800 1.000 1.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 3.371 ppm2 8.539 CV 1 ASSI { 1647} (( segid " " and resid 1102 and name HB )) (( segid " " and resid 1102 and name H )) 3.200 1.300 1.300 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.23816E-02 ppm1 1.868 ppm2 8.541 CV 1 ASSI { 1650} (( segid " " and resid 1164 and name HA )) (( segid " " and resid 1167 and name HG3 )) 2.900 1.100 1.100 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.22061E-02 ppm1 4.242 ppm2 2.156 CV 1 ASSI { 1651} ( segid " " and resid 1045 and name HG2%) (( segid " " and resid 1045 and name HB )) 2.500 0.800 0.800 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.58956E-02 ppm1 1.118 ppm2 4.210 CV 1 ASSI { 1653} (( segid " " and resid 1044 and name HB2 )) ( segid " " and resid 1044 and name HD% ) 3.300 1.400 1.400 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 3.132 ppm2 7.221 CV 1 ASSI { 1654} (( segid " " and resid 1044 and name HB3 )) ( segid " " and resid 1044 and name HD% ) 3.200 1.300 1.300 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 3.014 ppm2 7.214 CV 1 ASSI { 1657} (( segid " " and resid 1044 and name HB2 )) (( segid " " and resid 1044 and name HA )) 3.300 1.300 1.300 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 3.133 ppm2 4.639 CV 1 ASSI { 1658} (( segid " " and resid 1044 and name HB3 )) (( segid " " and resid 1044 and name HA )) 3.500 1.500 1.500 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 3.015 ppm2 4.628 CV 1 ASSI { 1659} (( segid " " and resid 1061 and name HA )) (( segid " " and resid 1061 and name H )) 2.600 0.900 0.900 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.30011E-02 ppm1 3.839 ppm2 8.229 CV 1 ASSI { 1660} (( segid " " and resid 1062 and name HA )) (( segid " " and resid 1063 and name H )) 3.000 1.100 1.100 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 3.977 ppm2 8.266 CV 1 ASSI { 1662} (( segid " " and resid 1065 and name HA )) (( segid " " and resid 1066 and name H )) 3.100 1.200 1.200 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.16176E-02 ppm1 3.969 ppm2 7.677 CV 1 ASSI { 1664} (( segid " " and resid 1184 and name HA )) (( segid " " and resid 1184 and name H )) 2.600 0.900 0.900 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.33556E-02 ppm1 3.986 ppm2 8.030 CV 1 ASSI { 1665} (( segid " " and resid 1086 and name HA )) (( segid " " and resid 1087 and name H )) 3.300 1.400 1.400 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.11633E-02 ppm1 3.996 ppm2 8.672 CV 1 ASSI { 1667} (( segid " " and resid 1184 and name HA )) (( segid " " and resid 1184 and name HD3 )) 3.500 1.500 1.500 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 3.985 ppm2 3.150 CV 1 OR { 1667} (( segid " " and resid 1184 and name HA )) (( segid " " and resid 1184 and name HD2 )) ASSI { 1668} (( segid " " and resid 1065 and name HA )) (( segid " " and resid 1065 and name HB2 )) 2.700 0.900 0.900 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.51969E-02 ppm1 3.975 ppm2 2.273 CV 1 ASSI { 1669} (( segid " " and resid 1065 and name HA )) (( segid " " and resid 1065 and name HB3 )) 2.200 0.600 0.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.75855E-02 ppm1 3.978 ppm2 2.152 CV 1 ASSI { 1673} (( segid " " and resid 1062 and name HA )) (( segid " " and resid 1062 and name HG2 )) 2.500 0.800 0.800 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.38649E-02 ppm1 3.974 ppm2 1.574 CV 1 ASSI { 1676} (( segid " " and resid 1198 and name HA )) (( segid " " and resid 1198 and name H )) 2.400 0.700 0.700 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.70760E-02 ppm1 4.065 ppm2 7.853 CV 1 ASSI { 1680} (( segid " " and resid 1198 and name HB2 )) (( segid " " and resid 1198 and name H )) 2.500 0.800 0.800 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.37996E-02 ppm1 1.944 ppm2 7.868 CV 1 ASSI { 1681} (( segid " " and resid 1198 and name HA )) (( segid " " and resid 1198 and name HD3 )) 3.800 1.800 1.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.86728E-03 ppm1 4.063 ppm2 3.141 CV 1 OR { 1681} (( segid " " and resid 1198 and name HA )) (( segid " " and resid 1198 and name HD2 )) ASSI { 1683} (( segid " " and resid 1072 and name HB3 )) (( segid " " and resid 1072 and name HD3 )) 2.800 1.000 1.000 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.23782E-02 ppm1 1.893 ppm2 3.150 CV 1 OR { 1683} (( segid " " and resid 1072 and name HB3 )) (( segid " " and resid 1072 and name HD2 )) ASSI { 1684} (( segid " " and resid 1184 and name HB3 )) (( segid " " and resid 1184 and name HD3 )) 3.000 1.100 1.100 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.15143E-02 ppm1 1.746 ppm2 3.149 CV 1 OR { 1684} (( segid " " and resid 1184 and name HB3 )) (( segid " " and resid 1184 and name HD2 )) ASSI { 1686} (( segid " " and resid 1184 and name HB3 )) (( segid " " and resid 1184 and name HG3 )) 3.100 1.200 1.200 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.18309E-02 ppm1 1.749 ppm2 1.451 CV 1 ASSI { 1687} (( segid " " and resid 1184 and name HB2 )) (( segid " " and resid 1184 and name HB3 )) 1.900 0.400 0.400 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.85627E-02 ppm1 1.854 ppm2 1.748 CV 1 ASSI { 1690} (( segid " " and resid 1136 and name HD2 )) (( segid " " and resid 1136 and name HB2 )) 3.200 1.300 1.300 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 3.033 ppm2 1.960 CV 1 ASSI { 1691} (( segid " " and resid 1136 and name HD2 )) (( segid " " and resid 1136 and name HB3 )) 3.200 1.200 1.200 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.11082E-02 ppm1 3.037 ppm2 1.852 CV 1 ASSI { 1692} (( segid " " and resid 1184 and name HD3 )) (( segid " " and resid 1184 and name HG2 )) 2.100 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.11757E-01 ppm1 3.150 ppm2 1.721 CV 1 OR { 1692} (( segid " " and resid 1184 and name HD2 )) (( segid " " and resid 1184 and name HG2 )) ASSI { 1693} (( segid " " and resid 1136 and name HD2 )) (( segid " " and resid 1136 and name HG2 )) 3.000 1.100 1.100 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 3.039 ppm2 1.677 CV 1 ASSI { 1694} (( segid " " and resid 1136 and name HD2 )) (( segid " " and resid 1064 and name HB3 )) 3.100 3.100 2.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.68834E-03 ppm1 3.047 ppm2 1.598 CV 1 ASSI { 1695} (( segid " " and resid 1136 and name HD2 )) (( segid " " and resid 1136 and name HG3 )) 3.200 1.300 1.300 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 3.033 ppm2 1.529 CV 1 ASSI { 1696} (( segid " " and resid 1184 and name HD2 )) (( segid " " and resid 1184 and name HG3 )) 2.100 0.600 0.600 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.10521E-01 ppm1 3.151 ppm2 1.451 CV 1 OR { 1696} (( segid " " and resid 1184 and name HD3 )) (( segid " " and resid 1184 and name HG3 )) ASSI { 1698} (( segid " " and resid 1184 and name HB3 )) (( segid " " and resid 1184 and name HA )) 2.700 0.900 0.900 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.24194E-02 ppm1 1.748 ppm2 3.989 CV 1 ASSI { 1699} (( segid " " and resid 1184 and name HB2 )) (( segid " " and resid 1184 and name HA )) 3.000 1.100 1.100 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.27086E-02 ppm1 1.858 ppm2 3.990 CV 1 ASSI { 1700} (( segid " " and resid 1136 and name HD2 )) (( segid " " and resid 1136 and name H )) 3.800 1.800 1.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.51624E-03 ppm1 3.040 ppm2 7.855 CV 1 ASSI { 1703} (( segid " " and resid 1072 and name HG3 )) (( segid " " and resid 1073 and name H )) 3.600 1.600 1.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.11288E-02 ppm1 1.762 ppm2 7.523 CV 1 ASSI { 1704} (( segid " " and resid 1194 and name HB2 )) (( segid " " and resid 1194 and name H )) 2.500 0.800 0.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.32214E-02 ppm1 2.138 ppm2 8.322 CV 1 ASSI { 1706} (( segid " " and resid 1194 and name HG2 )) (( segid " " and resid 1194 and name H )) 2.500 0.800 0.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.43915E-02 ppm1 2.492 ppm2 8.321 CV 1 ASSI { 1707} (( segid " " and resid 1194 and name HB3 )) (( segid " " and resid 1195 and name H )) 3.600 1.600 1.600 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 2.014 ppm2 7.632 CV 1 ASSI { 1708} (( segid " " and resid 1194 and name HG2 )) (( segid " " and resid 1195 and name H )) 4.100 2.100 1.900 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.88795E-03 ppm1 2.490 ppm2 7.631 CV 1 ASSI { 1710} (( segid " " and resid 1194 and name HA )) (( segid " " and resid 1195 and name H )) 3.300 1.300 1.300 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 4.048 ppm2 7.632 CV 1 ASSI { 1711} (( segid " " and resid 1194 and name HG3 )) (( segid " " and resid 1195 and name H )) 4.100 2.100 1.900 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 2.339 ppm2 7.634 CV 1 ASSI { 1712} (( segid " " and resid 1187 and name HG3 )) (( segid " " and resid 1187 and name H )) 2.300 0.600 0.600 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.49284E-02 ppm1 2.398 ppm2 7.913 CV 1 ASSI { 1713} (( segid " " and resid 1089 and name HG2 )) (( segid " " and resid 1090 and name H )) 3.500 1.500 1.500 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.14145E-02 ppm1 2.400 ppm2 9.034 CV 1 ASSI { 1714} (( segid " " and resid 1089 and name HG3 )) (( segid " " and resid 1090 and name H )) 3.500 1.500 1.500 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 2.311 ppm2 9.036 CV 1 ASSI { 1715} (( segid " " and resid 1187 and name HB2 )) (( segid " " and resid 1188 and name H )) 2.600 0.900 0.900 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 2.211 ppm2 8.113 CV 1 ASSI { 1716} (( segid " " and resid 1187 and name HB3 )) (( segid " " and resid 1187 and name H )) 3.300 1.300 1.300 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.40302E-02 ppm1 2.127 ppm2 7.911 CV 1 ASSI { 1717} (( segid " " and resid 1187 and name HG2 )) (( segid " " and resid 1187 and name H )) 3.200 1.300 1.300 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.44294E-02 ppm1 2.468 ppm2 7.909 CV 1 ASSI { 1718} (( segid " " and resid 1187 and name HG2 )) (( segid " " and resid 1188 and name H )) 2.800 2.800 3.200 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.12906E-02 ppm1 2.468 ppm2 8.105 CV 1 ASSI { 1720} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1182 and name HE22)) 3.400 1.400 1.400 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.24401E-02 ppm1 2.356 ppm2 7.373 CV 1 ASSI { 1721} (( segid " " and resid 1182 and name HG3 )) (( segid " " and resid 1182 and name HE21)) 3.300 1.300 1.300 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.98772E-03 ppm1 2.456 ppm2 6.424 CV 1 ASSI { 1722} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1182 and name HE21)) 3.100 1.200 1.200 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 2.356 ppm2 6.418 CV 1 ASSI { 1723} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1064 and name H )) 2.700 2.700 3.300 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 0.725 ppm2 8.422 CV 1 ASSI { 1724} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1067 and name H )) 3.100 1.200 1.200 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.41128E-02 ppm1 0.724 ppm2 8.288 CV 1 ASSI { 1725} ( segid " " and resid 1119 and name HD1%) (( segid " " and resid 1116 and name HA )) 2.400 0.700 0.700 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.46772E-02 ppm1 0.692 ppm2 4.413 CV 1 ASSI { 1726} ( segid " " and resid 1119 and name HD1%) ( segid " " and resid 1116 and name HD% ) 2.700 0.900 0.900 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.39510E-02 ppm1 0.692 ppm2 7.015 CV 1 ASSI { 1727} ( segid " " and resid 1119 and name HD1%) ( segid " " and resid 1116 and name HE% ) 3.100 1.200 1.200 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.21716E-02 ppm1 0.692 ppm2 6.776 CV 1 ASSI { 1728} ( segid " " and resid 1119 and name HD1%) (( segid " " and resid 1119 and name H )) 3.600 1.600 1.600 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.27705E-02 ppm1 0.692 ppm2 7.356 CV 1 ASSI { 1730} ( segid " " and resid 1119 and name HD1%) (( segid " " and resid 1119 and name HA )) 3.500 1.500 1.500 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.36757E-02 ppm1 0.692 ppm2 3.538 CV 1 ASSI { 1732} ( segid " " and resid 1119 and name HD1%) (( segid " " and resid 1119 and name HB )) 2.400 0.700 0.700 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.58336E-02 ppm1 0.692 ppm2 1.778 CV 1 ASSI { 1733} ( segid " " and resid 1119 and name HD1%) (( segid " " and resid 1119 and name HG13)) 2.200 0.600 0.600 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.84766E-02 ppm1 0.692 ppm2 1.592 CV 1 ASSI { 1734} ( segid " " and resid 1119 and name HD1%) (( segid " " and resid 1119 and name HG12)) 2.200 0.600 0.600 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.79297E-02 ppm1 0.692 ppm2 1.112 CV 1 ASSI { 1737} (( segid " " and resid 1116 and name HA )) (( segid " " and resid 1119 and name HB )) 2.700 0.900 0.900 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.26982E-02 ppm1 4.411 ppm2 1.785 CV 1 ASSI { 1738} (( segid " " and resid 1116 and name HA )) (( segid " " and resid 1116 and name HB2 )) 3.000 1.100 1.100 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 4.411 ppm2 2.997 CV 1 ASSI { 1739} (( segid " " and resid 1116 and name HA )) (( segid " " and resid 1116 and name HB3 )) 2.900 1.100 1.100 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 4.412 ppm2 2.835 CV 1 ASSI { 1741} (( segid " " and resid 1116 and name HA )) ( segid " " and resid 1116 and name HD% ) 2.700 0.900 0.900 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.29219E-02 ppm1 4.412 ppm2 7.016 CV 1 ASSI { 1742} (( segid " " and resid 1116 and name HA )) (( segid " " and resid 1119 and name H )) 3.100 1.200 1.200 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 4.412 ppm2 7.356 CV 1 ASSI { 1743} (( segid " " and resid 1116 and name HA )) (( segid " " and resid 1116 and name H )) 3.000 1.200 1.200 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 4.410 ppm2 7.883 CV 1 ASSI { 1744} (( segid " " and resid 1116 and name HA )) (( segid " " and resid 1117 and name H )) 3.400 1.400 1.400 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.82945E-03 ppm1 4.412 ppm2 8.518 CV 1 ASSI { 1747} (( segid " " and resid 1116 and name HB3 )) (( segid " " and resid 1116 and name H )) 4.500 2.500 1.500 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.45774E-03 ppm1 2.820 ppm2 7.885 CV 1 ASSI { 1749} (( segid " " and resid 1116 and name HB2 )) (( segid " " and resid 1117 and name H )) 3.800 1.800 1.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.48871E-03 ppm1 3.011 ppm2 8.517 CV 1 ASSI { 1753} (( segid " " and resid 1116 and name HB2 )) (( segid " " and resid 1116 and name HB3 )) 2.400 0.700 0.700 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.23059E-02 ppm1 3.005 ppm2 2.829 CV 1 ASSI { 1755} (( segid " " and resid 1080 and name HB3 )) (( segid " " and resid 1080 and name HA )) 2.600 0.800 0.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.28841E-02 ppm1 2.205 ppm2 4.186 CV 1 ASSI { 1756} (( segid " " and resid 1080 and name HB2 )) (( segid " " and resid 1080 and name HA )) 3.100 1.200 1.200 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.22887E-02 ppm1 1.769 ppm2 4.171 CV 1 ASSI { 1759} (( segid " " and resid 1080 and name HB2 )) (( segid " " and resid 1080 and name HB3 )) 2.000 0.500 0.500 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 1.769 ppm2 2.209 CV 1 ASSI { 1763} (( segid " " and resid 1104 and name HB3 )) (( segid " " and resid 1104 and name H )) 3.000 1.100 1.100 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.24057E-02 ppm1 1.991 ppm2 7.727 CV 1 ASSI { 1764} (( segid " " and resid 1078 and name HB2 )) (( segid " " and resid 1078 and name HA )) 2.900 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.30424E-02 ppm1 2.121 ppm2 4.217 CV 1 ASSI { 1765} (( segid " " and resid 1084 and name HA )) (( segid " " and resid 1087 and name H )) 3.400 1.400 1.400 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.75374E-03 ppm1 4.147 ppm2 8.672 CV 1 ASSI { 1766} (( segid " " and resid 1084 and name HA )) (( segid " " and resid 1084 and name H )) 2.900 1.100 1.100 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.15900E-02 ppm1 4.149 ppm2 9.343 CV 1 ASSI { 1768} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1084 and name H )) 3.800 1.800 1.800 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 1.997 ppm2 9.350 CV 1 ASSI { 1769} (( segid " " and resid 1084 and name HG2 )) (( segid " " and resid 1084 and name H )) 4.700 2.800 1.300 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.46806E-03 ppm1 2.605 ppm2 9.352 CV 1 ASSI { 1770} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1142 and name H )) 2.700 0.900 0.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.38478E-02 ppm1 1.996 ppm2 7.542 CV 1 ASSI { 1771} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1141 and name H )) 3.300 1.300 1.300 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.32902E-02 ppm1 1.996 ppm2 7.377 CV 1 ASSI { 1773} (( segid " " and resid 1084 and name HG3 )) (( segid " " and resid 1084 and name HA )) 3.100 1.200 1.200 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.95335E-03 ppm1 2.446 ppm2 4.148 CV 1 ASSI { 1777} (( segid " " and resid 1084 and name HA )) (( segid " " and resid 1084 and name HG2 )) 3.600 1.600 1.600 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.12527E-02 ppm1 4.148 ppm2 2.605 CV 1 ASSI { 1779} (( segid " " and resid 1084 and name HB3 )) (( segid " " and resid 1084 and name HG2 )) 3.000 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 2.035 ppm2 2.607 CV 1 OR { 1779} (( segid " " and resid 1084 and name HB2 )) (( segid " " and resid 1084 and name HG2 )) ASSI { 1780} (( segid " " and resid 1084 and name HB2 )) (( segid " " and resid 1084 and name HG3 )) 3.100 1.200 1.200 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.13629E-02 ppm1 2.037 ppm2 2.444 CV 1 OR { 1780} (( segid " " and resid 1084 and name HB3 )) (( segid " " and resid 1084 and name HG3 )) ASSI { 1781} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1084 and name HG2 )) 2.500 0.800 0.800 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.77400E-02 ppm1 1.996 ppm2 2.610 CV 1 ASSI { 1782} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1084 and name HG3 )) 2.400 0.700 0.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.56271E-02 ppm1 1.996 ppm2 2.443 CV 1 ASSI { 1783} (( segid " " and resid 1084 and name HG2 )) (( segid " " and resid 1084 and name HG3 )) 2.200 0.600 0.600 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.44053E-02 ppm1 2.609 ppm2 2.442 CV 1 ASSI { 1785} (( segid " " and resid 1084 and name HG2 )) (( segid " " and resid 1084 and name HB3 )) 2.600 0.900 0.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.28049E-02 ppm1 2.611 ppm2 2.017 CV 1 OR { 1785} (( segid " " and resid 1084 and name HG2 )) ( segid " " and resid 1084 and name HE% ) ASSI { 1786} (( segid " " and resid 1084 and name HG3 )) ( segid " " and resid 1084 and name HE% ) 2.900 1.100 1.100 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.21992E-02 ppm1 2.443 ppm2 2.020 CV 1 OR { 1786} (( segid " " and resid 1084 and name HG3 )) (( segid " " and resid 1084 and name HB3 )) ASSI { 1789} (( segid " " and resid 1084 and name HA )) (( segid " " and resid 1084 and name HB2 )) 2.500 0.800 0.800 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.42642E-02 ppm1 4.150 ppm2 2.029 CV 1 OR { 1789} (( segid " " and resid 1084 and name HA )) (( segid " " and resid 1084 and name HB3 )) ASSI { 1792} (( segid " " and resid 1180 and name HA )) (( segid " " and resid 1180 and name H )) 2.600 0.800 0.800 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.35414E-02 ppm1 4.051 ppm2 8.151 CV 1 ASSI { 1794} (( segid " " and resid 1180 and name HB2 )) (( segid " " and resid 1181 and name H )) 2.800 1.000 1.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.20615E-02 ppm1 2.011 ppm2 7.844 CV 1 ASSI { 1795} (( segid " " and resid 1180 and name HB3 )) (( segid " " and resid 1180 and name H )) 3.100 1.200 1.200 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.37617E-02 ppm1 2.063 ppm2 8.150 CV 1 ASSI { 1796} (( segid " " and resid 1180 and name HB2 )) (( segid " " and resid 1180 and name H )) 2.300 0.700 0.700 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.48699E-02 ppm1 2.015 ppm2 8.147 CV 1 ASSI { 1797} (( segid " " and resid 1180 and name HG2 )) (( segid " " and resid 1180 and name H )) 2.900 1.100 1.100 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.31972E-02 ppm1 2.248 ppm2 8.151 CV 1 ASSI { 1798} (( segid " " and resid 1180 and name HG3 )) (( segid " " and resid 1180 and name H )) 2.500 0.800 0.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.30734E-02 ppm1 2.165 ppm2 8.152 CV 1 ASSI { 1799} (( segid " " and resid 1180 and name HG2 )) (( segid " " and resid 1181 and name H )) 3.900 1.900 1.900 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 2.250 ppm2 7.841 CV 1 ASSI { 1800} (( segid " " and resid 1180 and name HG3 )) (( segid " " and resid 1181 and name H )) 3.600 1.700 1.700 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 2.167 ppm2 7.842 CV 1 ASSI { 1801} (( segid " " and resid 1085 and name HG3 )) (( segid " " and resid 1086 and name H )) 3.600 1.600 1.600 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 2.261 ppm2 7.540 CV 1 ASSI { 1802} (( segid " " and resid 1180 and name HB3 )) (( segid " " and resid 1180 and name HA )) 2.500 0.800 0.800 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.37582E-02 ppm1 2.063 ppm2 4.053 CV 1 ASSI { 1803} (( segid " " and resid 1180 and name HB2 )) (( segid " " and resid 1180 and name HA )) 2.700 0.900 0.900 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.51831E-02 ppm1 2.011 ppm2 4.055 CV 1 ASSI { 1804} (( segid " " and resid 1180 and name HG2 )) (( segid " " and resid 1180 and name HA )) 2.500 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.45257E-02 ppm1 2.249 ppm2 4.051 CV 1 ASSI { 1806} (( segid " " and resid 1180 and name HG2 )) (( segid " " and resid 1180 and name HB2 )) 2.400 0.700 0.700 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.11426E-01 ppm1 2.248 ppm2 2.042 CV 1 ASSI { 1808} (( segid " " and resid 1167 and name HB2 )) (( segid " " and resid 1167 and name H )) 2.400 0.700 0.700 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.35380E-02 ppm1 2.160 ppm2 8.238 CV 1 ASSI { 1809} (( segid " " and resid 1167 and name HB3 )) (( segid " " and resid 1168 and name H )) 3.200 1.300 1.300 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.25433E-02 ppm1 1.988 ppm2 8.325 CV 1 ASSI { 1810} (( segid " " and resid 1167 and name HB3 )) (( segid " " and resid 1167 and name H )) 3.100 1.200 1.200 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.45120E-02 ppm1 1.982 ppm2 8.242 CV 1 ASSI { 1812} (( segid " " and resid 1167 and name HB2 )) (( segid " " and resid 1164 and name HA )) 2.700 0.900 0.900 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.20202E-02 ppm1 2.160 ppm2 4.246 CV 1 ASSI { 1813} (( segid " " and resid 1167 and name HB2 )) (( segid " " and resid 1167 and name HG2 )) 2.900 1.000 1.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.40783E-02 ppm1 2.159 ppm2 2.342 CV 1 ASSI { 1814} (( segid " " and resid 1167 and name HB3 )) (( segid " " and resid 1167 and name HG2 )) 2.400 0.700 0.700 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.35346E-02 ppm1 1.990 ppm2 2.341 CV 1 ASSI { 1815} (( segid " " and resid 1167 and name HB3 )) (( segid " " and resid 1167 and name HB2 )) 1.700 0.400 0.500 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.19174E-01 ppm1 1.986 ppm2 2.162 CV 1 ASSI { 1817} (( segid " " and resid 1167 and name HG3 )) (( segid " " and resid 1168 and name H )) 3.400 1.400 1.400 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.24057E-02 ppm1 2.160 ppm2 8.334 CV 1 ASSI { 1818} (( segid " " and resid 1167 and name HG3 )) (( segid " " and resid 1167 and name H )) 2.200 0.600 0.600 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.60467E-02 ppm1 2.160 ppm2 8.237 CV 1 ASSI { 1819} (( segid " " and resid 1167 and name HG2 )) (( segid " " and resid 1168 and name H )) 4.000 2.000 2.000 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.13526E-02 ppm1 2.342 ppm2 8.333 CV 1 ASSI { 1820} (( segid " " and resid 1167 and name HG2 )) (( segid " " and resid 1167 and name H )) 3.100 1.200 1.200 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.45808E-02 ppm1 2.344 ppm2 8.238 CV 1 ASSI { 1821} (( segid " " and resid 1167 and name HG2 )) (( segid " " and resid 1164 and name HA )) 3.800 1.800 1.800 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.17242E-02 ppm1 2.343 ppm2 4.243 CV 1 ASSI { 1822} (( segid " " and resid 1167 and name HG2 )) (( segid " " and resid 1167 and name HA )) 2.500 0.800 0.800 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.35414E-02 ppm1 2.343 ppm2 3.980 CV 1 ASSI { 1824} (( segid " " and resid 1167 and name HG3 )) (( segid " " and resid 1167 and name HG2 )) 2.100 0.500 0.500 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.49146E-02 ppm1 2.153 ppm2 2.343 CV 1 ASSI { 1826} (( segid " " and resid 1167 and name HG2 )) (( segid " " and resid 1166 and name HB )) 3.800 1.800 1.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.93613E-03 ppm1 2.344 ppm2 1.903 CV 1 ASSI { 1830} (( segid " " and resid 1167 and name HB2 )) ( segid " " and resid 1054 and name HD1%) 4.000 2.000 2.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.99117E-03 ppm1 2.158 ppm2 0.932 CV 1 ASSI { 1831} (( segid " " and resid 1167 and name HB2 )) ( segid " " and resid 1054 and name HD2%) 4.200 2.200 1.800 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 2.159 ppm2 0.886 CV 1 ASSI { 1833} (( segid " " and resid 1167 and name HG3 )) ( segid " " and resid 1054 and name HD1%) 2.500 0.800 0.800 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.34107E-02 ppm1 2.159 ppm2 0.935 CV 1 ASSI { 1834} (( segid " " and resid 1061 and name HG3 )) ( segid " " and resid 1159 and name HD1%) 3.500 1.500 1.500 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.38718E-02 ppm1 2.158 ppm2 0.875 CV 1 ASSI { 1835} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1168 and name H )) 4.300 2.300 1.700 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.98432E-03 ppm1 2.143 ppm2 8.346 CV 1 ASSI { 1837} (( segid " " and resid 1168 and name HG3 )) (( segid " " and resid 1168 and name H )) 3.900 1.900 1.900 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 2.259 ppm2 8.347 CV 1 ASSI { 1838} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1168 and name HA )) 3.800 1.800 1.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 2.136 ppm2 4.017 CV 1 ASSI { 1840} (( segid " " and resid 1168 and name HG3 )) (( segid " " and resid 1168 and name HA )) 3.000 1.100 1.100 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.17449E-02 ppm1 2.259 ppm2 4.016 CV 1 ASSI { 1841} (( segid " " and resid 1168 and name HG3 )) (( segid " " and resid 1169 and name HA )) 3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 2.269 ppm2 3.899 CV 1 ASSI { 1842} (( segid " " and resid 1168 and name HG3 )) (( segid " " and resid 1168 and name HG2 )) 2.200 0.600 0.600 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.51074E-02 ppm1 2.268 ppm2 2.134 CV 1 OR { 1842} (( segid " " and resid 1168 and name HG3 )) (( segid " " and resid 1168 and name HB3 )) ASSI { 1843} (( segid " " and resid 1168 and name HG3 )) (( segid " " and resid 1168 and name HB2 )) 3.000 1.100 1.100 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.32282E-02 ppm1 2.266 ppm2 1.988 CV 1 ASSI { 1845} (( segid " " and resid 1168 and name HB2 )) (( segid " " and resid 1168 and name H )) 2.800 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 1.975 ppm2 8.350 CV 1 ASSI { 1847} (( segid " " and resid 1168 and name HB3 )) (( segid " " and resid 1168 and name H )) 2.700 0.900 0.900 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 2.118 ppm2 8.322 CV 1 ASSI { 1848} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1168 and name HG3 )) 2.100 0.600 0.600 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.48527E-02 ppm1 2.137 ppm2 2.260 CV 1 ASSI { 1853} (( segid " " and resid 1082 and name HG3 )) (( segid " " and resid 1083 and name H )) 4.400 2.400 1.600 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.68143E-03 ppm1 1.824 ppm2 7.215 CV 1 ASSI { 1855} (( segid " " and resid 1082 and name HB2 )) (( segid " " and resid 1082 and name HA )) 3.100 1.200 1.200 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.22405E-02 ppm1 1.715 ppm2 4.236 CV 1 ASSI { 1858} (( segid " " and resid 1082 and name HG2 )) (( segid " " and resid 1082 and name HG3 )) 2.200 0.600 0.600 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.49731E-02 ppm1 2.101 ppm2 1.827 CV 1 ASSI { 1859} (( segid " " and resid 1082 and name HG2 )) (( segid " " and resid 1082 and name HB2 )) 3.300 1.400 1.400 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.18344E-02 ppm1 2.100 ppm2 1.741 CV 1 ASSI { 1861} (( segid " " and resid 1082 and name HA )) (( segid " " and resid 1082 and name HB3 )) 3.000 1.100 1.100 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 4.234 ppm2 2.199 CV 1 ASSI { 1862} (( segid " " and resid 1082 and name HA )) (( segid " " and resid 1082 and name HG2 )) 3.000 1.100 1.100 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.19239E-02 ppm1 4.237 ppm2 2.106 CV 1 ASSI { 1863} (( segid " " and resid 1082 and name HA )) (( segid " " and resid 1082 and name HG3 )) 3.100 1.200 1.200 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.28703E-02 ppm1 4.236 ppm2 1.827 CV 1 ASSI { 1864} (( segid " " and resid 1082 and name HA )) ( segid " " and resid 1083 and name HG2%) 3.800 1.800 1.800 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.69865E-03 ppm1 4.241 ppm2 1.147 CV 1 ASSI { 1866} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1103 and name H )) 4.200 2.200 1.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 0.702 ppm2 7.498 CV 1 ASSI { 1867} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1102 and name H )) 3.500 1.500 1.500 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.37514E-02 ppm1 0.701 ppm2 8.540 CV 1 ASSI { 1868} (( segid " " and resid 1102 and name HG12)) (( segid " " and resid 1102 and name H )) 2.800 1.000 1.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.93268E-03 ppm1 0.699 ppm2 8.540 CV 1 ASSI { 1869} ( segid " " and resid 1102 and name HG2%) (( segid " " and resid 1102 and name H )) 2.500 0.800 0.800 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.36722E-02 ppm1 0.814 ppm2 8.541 CV 1 ASSI { 1870} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1122 and name H )) 3.400 1.400 1.400 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.13663E-02 ppm1 0.798 ppm2 7.930 CV 1 ASSI { 1871} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1120 and name H )) 3.200 1.300 1.300 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.24918E-02 ppm1 0.799 ppm2 7.799 CV 1 ASSI { 1872} ( segid " " and resid 1102 and name HG2%) (( segid " " and resid 1103 and name H )) 3.600 1.600 1.600 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.21716E-02 ppm1 0.815 ppm2 7.499 CV 1 ASSI { 1874} (( segid " " and resid 1102 and name HB )) (( segid " " and resid 1189 and name HA )) 3.100 1.200 1.200 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 1.872 ppm2 3.890 CV 1 ASSI { 1875} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1189 and name HA )) 2.500 0.800 0.800 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.46118E-02 ppm1 0.701 ppm2 3.894 CV 1 ASSI { 1876} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1192 and name HA )) 4.000 2.000 2.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.10049E-02 ppm1 0.700 ppm2 3.517 CV 1 ASSI { 1877} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1102 and name HA )) 3.600 1.600 1.600 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.30596E-02 ppm1 0.701 ppm2 3.376 CV 1 ASSI { 1878} ( segid " " and resid 1102 and name HG2%) (( segid " " and resid 1102 and name HA )) 2.500 0.800 0.800 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.43399E-02 ppm1 0.815 ppm2 3.374 CV 1 ASSI { 1879} ( segid " " and resid 1102 and name HG2%) (( segid " " and resid 1189 and name HA )) 2.700 0.900 0.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.41747E-02 ppm1 0.814 ppm2 3.904 CV 1 ASSI { 1880} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1116 and name HA )) 3.800 1.800 1.800 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 0.801 ppm2 4.411 CV 1 ASSI { 1881} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1120 and name HA )) 2.900 1.100 1.100 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.21441E-02 ppm1 0.799 ppm2 4.205 CV 1 ASSI { 1882} (( segid " " and resid 1102 and name HA )) (( segid " " and resid 1105 and name HB3 )) 3.900 1.900 1.900 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 3.372 ppm2 2.301 CV 1 ASSI { 1883} (( segid " " and resid 1102 and name HA )) (( segid " " and resid 1102 and name HG13)) 3.300 1.400 1.400 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 3.374 ppm2 2.018 CV 1 ASSI { 1884} (( segid " " and resid 1102 and name HA )) (( segid " " and resid 1102 and name HB )) 3.000 1.100 1.100 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 3.373 ppm2 1.866 CV 1 ASSI { 1885} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1192 and name HB )) 2.600 0.900 0.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 0.701 ppm2 2.263 CV 1 ASSI { 1887} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1102 and name HB )) 2.500 0.800 0.800 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 0.701 ppm2 1.872 CV 1 ASSI { 1888} (( segid " " and resid 1102 and name HG12)) (( segid " " and resid 1102 and name HB )) 3.600 1.600 1.600 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.75374E-03 ppm1 0.696 ppm2 1.876 CV 1 ASSI { 1889} (( segid " " and resid 1102 and name HA )) (( segid " " and resid 1105 and name HB2 )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 3.373 ppm2 1.399 CV 1 ASSI { 1890} (( segid " " and resid 1102 and name HA )) ( segid " " and resid 1124 and name HG1%) 3.100 1.200 1.200 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 3.374 ppm2 0.955 CV 1 ASSI { 1892} (( segid " " and resid 1102 and name HA )) ( segid " " and resid 1105 and name HD1%) 2.600 0.800 0.800 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.34589E-02 ppm1 3.374 ppm2 0.701 CV 1 ASSI { 1894} (( segid " " and resid 1102 and name HB )) ( segid " " and resid 1102 and name HD1%) 2.800 1.000 1.000 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.25881E-02 ppm1 1.869 ppm2 0.705 CV 1 OR { 1894} (( segid " " and resid 1102 and name HB )) (( segid " " and resid 1102 and name HG12)) ASSI { 1895} ( segid " " and resid 1102 and name HD1%) ( segid " " and resid 1103 and name HB% ) 3.600 1.700 1.700 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 0.701 ppm2 1.470 CV 1 ASSI { 1896} ( segid " " and resid 1102 and name HD1%) ( segid " " and resid 1189 and name HB% ) 2.800 1.000 1.000 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.22715E-02 ppm1 0.701 ppm2 1.399 CV 1 ASSI { 1898} (( segid " " and resid 1068 and name HD3 )) (( segid " " and resid 1069 and name H )) 3.900 1.900 1.900 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.77090E-03 ppm1 1.582 ppm2 7.537 CV 1 OR { 1898} (( segid " " and resid 1068 and name HD2 )) (( segid " " and resid 1069 and name H )) ASSI { 1899} (( segid " " and resid 1041 and name HA )) ( segid " " and resid 1041 and name HG2%) 3.700 1.700 1.700 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.56787E-03 ppm1 4.122 ppm2 0.783 CV 1 ASSI { 1900} (( segid " " and resid 1041 and name HB )) ( segid " " and resid 1041 and name HG2%) 3.400 1.400 1.400 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.91547E-03 ppm1 1.729 ppm2 0.782 CV 1 OR { 1900} (( segid " " and resid 1041 and name HB )) ( segid " " and resid 1041 and name HD1%) ASSI { 1901} (( segid " " and resid 1041 and name HA )) (( segid " " and resid 1041 and name HB )) 3.400 1.400 1.400 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.90171E-03 ppm1 4.122 ppm2 1.730 CV 1 ASSI { 1903} (( segid " " and resid 1041 and name HA )) (( segid " " and resid 1042 and name H )) 2.900 1.100 1.100 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.21716E-02 ppm1 4.121 ppm2 8.385 CV 1 ASSI { 1904} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1042 and name H )) 3.500 1.500 1.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.94644E-03 ppm1 2.434 ppm2 8.381 CV 1 ASSI { 1905} (( segid " " and resid 1042 and name HB2 )) (( segid " " and resid 1042 and name H )) 3.900 1.900 1.900 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.45085E-03 ppm1 2.649 ppm2 8.382 CV 1 ASSI { 1906} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1042 and name HA )) 3.400 1.500 1.500 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.90516E-03 ppm1 2.438 ppm2 4.787 CV 1 ASSI { 1907} (( segid " " and resid 1042 and name HB2 )) (( segid " " and resid 1042 and name HA )) 3.400 1.400 1.400 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.81909E-03 ppm1 2.650 ppm2 4.787 CV 1 ASSI { 1910} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1042 and name HB2 )) 2.100 0.500 0.500 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.81669E-02 ppm1 2.433 ppm2 2.650 CV 1 ASSI { 1911} (( segid " " and resid 1090 and name HA )) (( segid " " and resid 1093 and name HB3 )) 3.700 1.700 1.700 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.22543E-02 ppm1 4.376 ppm2 2.905 CV 1 ASSI { 1912} (( segid " " and resid 1090 and name HA )) (( segid " " and resid 1090 and name HB2 )) 2.500 0.800 0.800 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.48595E-02 ppm1 4.375 ppm2 2.642 CV 1 ASSI { 1914} (( segid " " and resid 1090 and name HA )) (( segid " " and resid 1091 and name H )) 3.400 1.500 1.500 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.80878E-03 ppm1 4.379 ppm2 8.468 CV 1 ASSI { 1917} (( segid " " and resid 1171 and name HB3 )) (( segid " " and resid 1171 and name H )) 2.600 0.900 0.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.34038E-02 ppm1 1.900 ppm2 7.414 CV 1 OR { 1917} (( segid " " and resid 1171 and name HB2 )) (( segid " " and resid 1171 and name H )) ASSI { 1918} (( segid " " and resid 1171 and name HB3 )) (( segid " " and resid 1172 and name H )) 2.900 1.000 1.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.24263E-02 ppm1 1.900 ppm2 8.518 CV 1 OR { 1918} (( segid " " and resid 1171 and name HB2 )) (( segid " " and resid 1172 and name H )) ASSI { 1919} (( segid " " and resid 1171 and name HG3 )) (( segid " " and resid 1171 and name H )) 3.200 1.200 1.200 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 1.378 ppm2 7.414 CV 1 ASSI { 1920} (( segid " " and resid 1171 and name HG3 )) (( segid " " and resid 1172 and name H )) 4.100 2.100 1.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.54722E-03 ppm1 1.375 ppm2 8.524 CV 1 ASSI { 1921} (( segid " " and resid 1171 and name HG2 )) (( segid " " and resid 1172 and name H )) 4.100 2.100 1.900 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.55410E-03 ppm1 1.557 ppm2 8.521 CV 1 ASSI { 1922} (( segid " " and resid 1170 and name HB2 )) (( segid " " and resid 1167 and name HA )) 2.700 0.900 0.900 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.31147E-02 ppm1 1.848 ppm2 3.985 CV 1 ASSI { 1926} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name H )) 2.800 1.000 1.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.20787E-02 ppm1 3.993 ppm2 8.188 CV 1 ASSI { 1929} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HE3 )) 4.400 2.400 1.600 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.61948E-03 ppm1 3.989 ppm2 2.939 CV 1 OR { 1929} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HE2 )) ASSI { 1930} (( segid " " and resid 1161 and name HG2 )) (( segid " " and resid 1161 and name HE2 )) 2.800 1.000 1.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.23265E-02 ppm1 1.411 ppm2 2.949 CV 1 OR { 1930} (( segid " " and resid 1161 and name HG2 )) (( segid " " and resid 1161 and name HE3 )) ASSI { 1931} (( segid " " and resid 1161 and name HD3 )) (( segid " " and resid 1161 and name HE2 )) 3.000 1.100 1.100 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 1.544 ppm2 2.949 CV 1 OR { 1931} (( segid " " and resid 1161 and name HD3 )) (( segid " " and resid 1161 and name HE3 )) ASSI { 1932} (( segid " " and resid 1161 and name HD3 )) (( segid " " and resid 1161 and name HA )) 3.600 1.600 1.600 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.19962E-02 ppm1 1.545 ppm2 3.989 CV 1 ASSI { 1933} (( segid " " and resid 1161 and name HD2 )) (( segid " " and resid 1161 and name HA )) 3.000 1.100 1.100 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.11977E-02 ppm1 1.414 ppm2 3.985 CV 1 ASSI { 1934} (( segid " " and resid 1161 and name HD2 )) (( segid " " and resid 1161 and name HE3 )) 3.000 1.100 1.100 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 1.414 ppm2 2.947 CV 1 OR { 1934} (( segid " " and resid 1161 and name HD2 )) (( segid " " and resid 1161 and name HE2 )) ASSI { 1935} (( segid " " and resid 1161 and name HD3 )) (( segid " " and resid 1161 and name H )) 3.100 1.200 1.200 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.12803E-02 ppm1 1.544 ppm2 8.188 CV 1 ASSI { 1937} (( segid " " and resid 1161 and name HG2 )) (( segid " " and resid 1161 and name H )) 4.100 2.100 1.900 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.83285E-03 ppm1 1.404 ppm2 8.192 CV 1 ASSI { 1938} (( segid " " and resid 1161 and name HD2 )) (( segid " " and resid 1161 and name HB3 )) 3.200 1.300 1.300 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.16588E-02 ppm1 1.414 ppm2 1.740 CV 1 OR { 1938} (( segid " " and resid 1161 and name HD2 )) (( segid " " and resid 1161 and name HB2 )) ASSI { 1942} (( segid " " and resid 1171 and name HA )) (( segid " " and resid 1175 and name HD2 )) 3.800 1.800 1.800 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.59881E-03 ppm1 4.002 ppm2 7.212 CV 1 ASSI { 1943} (( segid " " and resid 1086 and name HB3 )) (( segid " " and resid 1083 and name H )) 3.100 1.200 1.200 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 1.837 ppm2 7.217 CV 1 OR { 1943} (( segid " " and resid 1086 and name HB2 )) (( segid " " and resid 1083 and name H )) ASSI { 1944} (( segid " " and resid 1086 and name HG3 )) (( segid " " and resid 1086 and name H )) 3.700 1.700 1.700 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.76750E-03 ppm1 1.379 ppm2 7.549 CV 1 ASSI { 1945} (( segid " " and resid 1086 and name HG2 )) (( segid " " and resid 1086 and name H )) 3.500 1.500 1.500 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.88104E-03 ppm1 1.429 ppm2 7.536 CV 1 ASSI { 1948} (( segid " " and resid 1086 and name HG2 )) (( segid " " and resid 1087 and name H )) 3.900 1.900 1.900 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 1.383 ppm2 8.659 CV 1 OR { 1948} (( segid " " and resid 1086 and name HG3 )) (( segid " " and resid 1087 and name H )) ASSI { 1949} (( segid " " and resid 1068 and name HB2 )) (( segid " " and resid 1068 and name H )) 2.500 0.800 0.800 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.36034E-02 ppm1 1.821 ppm2 8.488 CV 1 OR { 1949} (( segid " " and resid 1068 and name HB3 )) (( segid " " and resid 1068 and name H )) ASSI { 1950} (( segid " " and resid 1068 and name HA )) (( segid " " and resid 1071 and name H )) 3.200 1.300 1.300 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 3.767 ppm2 8.596 CV 1 ASSI { 1951} (( segid " " and resid 1068 and name HA )) (( segid " " and resid 1068 and name H )) 2.800 1.000 1.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.23472E-02 ppm1 3.767 ppm2 8.487 CV 1 ASSI { 1953} (( segid " " and resid 1068 and name HA )) (( segid " " and resid 1069 and name H )) 3.300 1.400 1.400 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 3.768 ppm2 7.532 CV 1 ASSI { 1954} (( segid " " and resid 1068 and name HB3 )) (( segid " " and resid 1065 and name HA )) 2.600 0.800 0.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.34175E-02 ppm1 1.823 ppm2 3.970 CV 1 OR { 1954} (( segid " " and resid 1068 and name HB2 )) (( segid " " and resid 1065 and name HA )) ASSI { 1956} (( segid " " and resid 1068 and name HA )) (( segid " " and resid 1068 and name HB2 )) 2.500 0.800 0.800 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.43709E-02 ppm1 3.768 ppm2 1.822 CV 1 OR { 1956} (( segid " " and resid 1068 and name HA )) (( segid " " and resid 1068 and name HB3 )) ASSI { 1957} (( segid " " and resid 1068 and name HA )) (( segid " " and resid 1068 and name HG2 )) 2.900 1.100 1.100 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.20099E-02 ppm1 3.769 ppm2 1.549 CV 1 ASSI { 1958} (( segid " " and resid 1068 and name HA )) (( segid " " and resid 1068 and name HG3 )) 2.800 1.000 1.000 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.27671E-02 ppm1 3.768 ppm2 1.353 CV 1 ASSI { 1960} (( segid " " and resid 1068 and name HB2 )) (( segid " " and resid 1068 and name HG3 )) 2.600 0.900 0.900 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.29116E-02 ppm1 1.824 ppm2 1.358 CV 1 OR { 1960} (( segid " " and resid 1068 and name HB3 )) (( segid " " and resid 1068 and name HG3 )) ASSI { 1961} (( segid " " and resid 1068 and name HB2 )) ( segid " " and resid 1152 and name HD1%) 3.500 1.600 1.600 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.98087E-03 ppm1 1.822 ppm2 0.625 CV 1 OR { 1961} (( segid " " and resid 1068 and name HB3 )) ( segid " " and resid 1152 and name HD1%) ASSI { 1963} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1062 and name H )) 3.100 1.200 1.200 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.37755E-02 ppm1 1.574 ppm2 7.413 CV 1 ASSI { 1964} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1062 and name H )) 2.700 0.900 0.900 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.17002E-02 ppm1 1.441 ppm2 7.414 CV 1 ASSI { 1965} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1063 and name H )) 3.900 1.900 1.900 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.86382E-03 ppm1 1.440 ppm2 8.261 CV 1 ASSI { 1968} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1062 and name HE3 )) 3.400 1.400 1.400 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.16107E-02 ppm1 1.971 ppm2 2.923 CV 1 OR { 1968} (( segid " " and resid 1062 and name HB2 )) (( segid " " and resid 1062 and name HE2 )) OR { 1968} (( segid " " and resid 1062 and name HB3 )) (( segid " " and resid 1062 and name HE3 )) OR { 1968} (( segid " " and resid 1062 and name HB3 )) (( segid " " and resid 1062 and name HE2 )) ASSI { 1973} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1061 and name HG2 )) 2.900 2.900 3.100 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.98087E-03 ppm1 1.651 ppm2 2.511 CV 1 OR { 1973} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1061 and name HG2 )) ASSI { 1974} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1061 and name HG3 )) 3.100 1.200 1.200 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.88449E-03 ppm1 1.439 ppm2 2.189 CV 1 ASSI { 1975} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1062 and name HB3 )) 2.400 0.700 0.700 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.54550E-02 ppm1 1.440 ppm2 1.969 CV 1 OR { 1975} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1062 and name HB2 )) ASSI { 1976} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1061 and name HG3 )) 3.700 1.700 1.700 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.80878E-03 ppm1 1.575 ppm2 2.195 CV 1 ASSI { 1977} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1062 and name HB2 )) 2.300 0.700 0.700 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 1.574 ppm2 1.964 CV 1 OR { 1977} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1062 and name HB3 )) ASSI { 1979} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1062 and name HB2 )) 2.300 0.600 0.600 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.90375E-02 ppm1 1.653 ppm2 1.967 CV 1 OR { 1979} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1062 and name HB3 )) OR { 1979} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1062 and name HB3 )) OR { 1979} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1062 and name HB2 )) ASSI { 1980} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1062 and name H )) 3.300 1.400 1.400 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.25709E-02 ppm1 1.651 ppm2 7.416 CV 1 OR { 1980} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1062 and name H )) ASSI { 1981} (( segid " " and resid 1204 and name HB3 )) ( segid " " and resid 1147 and name HG1%) 3.300 1.400 1.400 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.64361E-03 ppm1 2.226 ppm2 0.943 CV 1 ASSI { 1982} (( segid " " and resid 1204 and name HB3 )) ( segid " " and resid 1147 and name HG2%) 3.300 1.300 1.300 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.99463E-03 ppm1 2.226 ppm2 0.869 CV 1 ASSI { 1983} (( segid " " and resid 1204 and name HB2 )) ( segid " " and resid 1147 and name HG1%) 4.200 2.200 1.800 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 1.901 ppm2 0.934 CV 1 ASSI { 1984} (( segid " " and resid 1204 and name HB2 )) ( segid " " and resid 1203 and name HD2%) 4.100 2.100 1.900 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 1.899 ppm2 0.849 CV 1 ASSI { 1987} ( segid " " and resid 1203 and name HD2%) (( segid " " and resid 1203 and name HA )) 2.200 0.600 0.600 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.63635E-02 ppm1 0.857 ppm2 4.295 CV 1 ASSI { 1988} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1096 and name HD3 )) 3.000 1.100 1.100 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.18688E-02 ppm1 4.473 ppm2 1.615 CV 1 OR { 1988} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1096 and name HD2 )) ASSI { 1989} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1096 and name HB2 )) 3.100 1.200 1.200 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 4.474 ppm2 1.891 CV 1 OR { 1989} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1096 and name HB3 )) ASSI { 1990} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1093 and name HB3 )) 2.400 0.700 0.700 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.55066E-02 ppm1 4.477 ppm2 2.904 CV 1 ASSI { 1991} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1093 and name HB2 )) 2.800 1.000 1.000 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.39028E-02 ppm1 4.474 ppm2 2.790 CV 1 ASSI { 1992} (( segid " " and resid 1093 and name HB3 )) (( segid " " and resid 1093 and name HB2 )) 2.200 0.600 0.600 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.47976E-02 ppm1 2.908 ppm2 2.787 CV 1 ASSI { 1998} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1096 and name H )) 3.300 1.300 1.300 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 4.468 ppm2 7.230 CV 1 ASSI { 1999} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1093 and name HD22)) 3.800 1.800 1.800 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 4.477 ppm2 7.936 CV 1 ASSI { 2001} (( segid " " and resid 1093 and name HB2 )) (( segid " " and resid 1093 and name HD22)) 3.800 1.800 1.800 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.16313E-02 ppm1 2.786 ppm2 7.931 CV 1 ASSI { 2002} (( segid " " and resid 1093 and name HA )) (( segid " " and resid 1093 and name H )) 2.600 0.900 0.900 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.37239E-02 ppm1 4.473 ppm2 8.804 CV 1 ASSI { 2005} (( segid " " and resid 1093 and name HB2 )) (( segid " " and resid 1094 and name H )) 3.100 1.200 1.200 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.96711E-03 ppm1 2.782 ppm2 8.567 CV 1 ASSI { 2007} (( segid " " and resid 1058 and name HG2 )) (( segid " " and resid 1058 and name HE21)) 2.800 1.000 1.000 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.19858E-02 ppm1 2.552 ppm2 7.438 CV 1 ASSI { 2010} (( segid " " and resid 1058 and name HG3 )) (( segid " " and resid 1058 and name HE21)) 2.500 0.800 0.800 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.35380E-02 ppm1 2.357 ppm2 7.439 CV 1 ASSI { 2011} (( segid " " and resid 1058 and name HB3 )) (( segid " " and resid 1058 and name HE21)) 4.100 2.100 1.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.55410E-03 ppm1 2.197 ppm2 7.432 CV 1 ASSI { 2013} (( segid " " and resid 1058 and name HG2 )) (( segid " " and resid 1059 and name H )) 4.400 2.500 1.600 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 2.552 ppm2 8.128 CV 1 ASSI { 2014} (( segid " " and resid 1058 and name HG3 )) (( segid " " and resid 1059 and name H )) 4.000 2.000 2.000 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.92237E-03 ppm1 2.360 ppm2 8.130 CV 1 ASSI { 2015} (( segid " " and resid 1058 and name HG3 )) (( segid " " and resid 1058 and name H )) 2.600 0.900 0.900 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.24367E-02 ppm1 2.361 ppm2 8.600 CV 1 ASSI { 2016} (( segid " " and resid 1058 and name HG2 )) (( segid " " and resid 1058 and name H )) 3.100 1.200 1.200 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.31491E-02 ppm1 2.553 ppm2 8.602 CV 1 ASSI { 2018} (( segid " " and resid 1058 and name HB2 )) (( segid " " and resid 1058 and name H )) 2.700 0.900 0.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 1.928 ppm2 8.605 CV 1 ASSI { 2019} (( segid " " and resid 1058 and name HA )) (( segid " " and resid 1058 and name H )) 2.800 1.000 1.000 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.23851E-02 ppm1 4.156 ppm2 8.601 CV 1 ASSI { 2020} (( segid " " and resid 1058 and name HB2 )) (( segid " " and resid 1055 and name HA )) 2.400 0.700 0.700 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.40749E-02 ppm1 1.926 ppm2 4.171 CV 1 ASSI { 2021} (( segid " " and resid 1058 and name HB3 )) (( segid " " and resid 1055 and name HA )) 3.600 1.700 1.700 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.25847E-02 ppm1 2.191 ppm2 4.173 CV 1 ASSI { 2022} (( segid " " and resid 1058 and name HG2 )) (( segid " " and resid 1058 and name HA )) 2.600 0.900 0.900 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.26672E-02 ppm1 2.553 ppm2 4.165 CV 1 ASSI { 2023} (( segid " " and resid 1058 and name HG3 )) (( segid " " and resid 1058 and name HA )) 2.700 0.900 0.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.50833E-02 ppm1 2.355 ppm2 4.166 CV 1 ASSI { 2024} (( segid " " and resid 1089 and name HG3 )) (( segid " " and resid 1089 and name HA )) 2.300 0.700 0.700 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.66457E-02 ppm1 2.336 ppm2 4.048 CV 1 ASSI { 2027} (( segid " " and resid 1058 and name HB2 )) (( segid " " and resid 1058 and name HG3 )) 2.600 0.800 0.800 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.26294E-02 ppm1 1.928 ppm2 2.360 CV 1 ASSI { 2030} (( segid " " and resid 1058 and name HA )) (( segid " " and resid 1058 and name HB3 )) 2.500 0.800 0.800 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.40439E-02 ppm1 4.154 ppm2 2.192 CV 1 ASSI { 2031} (( segid " " and resid 1058 and name HA )) (( segid " " and resid 1058 and name HB2 )) 3.100 1.200 1.200 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.23541E-02 ppm1 4.154 ppm2 1.923 CV 1 ASSI { 2033} (( segid " " and resid 1058 and name HG2 )) (( segid " " and resid 1058 and name HB3 )) 2.600 0.900 0.900 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.29701E-02 ppm1 2.557 ppm2 2.187 CV 1 ASSI { 2034} (( segid " " and resid 1058 and name HG2 )) (( segid " " and resid 1058 and name HB2 )) 2.900 1.100 1.100 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.31904E-02 ppm1 2.559 ppm2 1.924 CV 1 ASSI { 2035} (( segid " " and resid 1058 and name HB3 )) (( segid " " and resid 1058 and name HB2 )) 2.200 0.600 0.600 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.34795E-02 ppm1 2.195 ppm2 1.924 CV 1 ASSI { 2037} (( segid " " and resid 1050 and name HG2 )) (( segid " " and resid 1050 and name HB2 )) 3.100 1.200 1.200 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.25158E-02 ppm1 2.570 ppm2 1.733 CV 1 ASSI { 2043} ( segid " " and resid 1203 and name HD1%) (( segid " " and resid 1088 and name HB )) 2.900 1.000 1.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.17002E-02 ppm1 0.968 ppm2 4.139 CV 1 ASSI { 2044} (( segid " " and resid 1136 and name HD3 )) (( segid " " and resid 1136 and name H )) 3.100 1.200 1.200 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.20099E-02 ppm1 3.142 ppm2 7.863 CV 1 ASSI { 2045} (( segid " " and resid 1198 and name HG2 )) (( segid " " and resid 1198 and name H )) 3.500 1.500 1.500 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.26948E-02 ppm1 1.783 ppm2 7.855 CV 1 ASSI { 2047} (( segid " " and resid 1198 and name HG3 )) (( segid " " and resid 1199 and name H )) 4.300 2.300 1.700 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.45085E-03 ppm1 1.526 ppm2 7.703 CV 1 ASSI { 2048} (( segid " " and resid 1198 and name HG2 )) (( segid " " and resid 1199 and name H )) 3.900 1.900 1.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.57131E-03 ppm1 1.781 ppm2 7.713 CV 1 ASSI { 2049} (( segid " " and resid 1198 and name HG3 )) (( segid " " and resid 1198 and name HA )) 2.600 0.800 0.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.32007E-02 ppm1 1.530 ppm2 4.074 CV 1 ASSI { 2050} (( segid " " and resid 1198 and name HG2 )) (( segid " " and resid 1198 and name HA )) 3.000 1.100 1.100 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.27395E-02 ppm1 1.785 ppm2 4.079 CV 1 ASSI { 2051} (( segid " " and resid 1198 and name HB3 )) (( segid " " and resid 1198 and name HA )) 2.900 1.000 1.000 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.34657E-02 ppm1 1.842 ppm2 4.087 CV 1 ASSI { 2052} (( segid " " and resid 1198 and name HB2 )) (( segid " " and resid 1198 and name HA )) 2.500 0.800 0.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.35518E-02 ppm1 1.944 ppm2 4.074 CV 1 ASSI { 2053} (( segid " " and resid 1198 and name HG2 )) (( segid " " and resid 1198 and name HD3 )) 2.700 0.900 0.900 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.28325E-02 ppm1 1.788 ppm2 3.174 CV 1 OR { 2053} (( segid " " and resid 1198 and name HG2 )) (( segid " " and resid 1198 and name HD2 )) ASSI { 2054} (( segid " " and resid 1194 and name HA )) (( segid " " and resid 1197 and name HB2 )) 3.100 1.200 1.200 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.28944E-02 ppm1 4.049 ppm2 2.839 CV 1 ASSI { 2057} (( segid " " and resid 1198 and name HG2 )) (( segid " " and resid 1198 and name HB2 )) 2.900 1.000 1.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.32489E-02 ppm1 1.784 ppm2 1.939 CV 1 ASSI { 2058} (( segid " " and resid 1198 and name HG3 )) (( segid " " and resid 1198 and name HB2 )) 2.800 1.000 1.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 1.529 ppm2 1.940 CV 1 ASSI { 2059} (( segid " " and resid 1198 and name HG3 )) (( segid " " and resid 1198 and name HG2 )) 1.900 0.400 0.400 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.92237E-02 ppm1 1.529 ppm2 1.786 CV 1 ASSI { 2065} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1196 and name HG )) 3.000 1.200 1.200 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 3.815 ppm2 1.817 CV 1 ASSI { 2066} (( segid " " and resid 1196 and name HG )) ( segid " " and resid 1196 and name HD1%) 2.500 0.800 0.800 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.34210E-02 ppm1 1.816 ppm2 0.842 CV 1 ASSI { 2068} (( segid " " and resid 1195 and name HA )) (( segid " " and resid 1196 and name H )) 3.500 1.500 1.500 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.77781E-03 ppm1 4.118 ppm2 8.876 CV 1 ASSI { 2069} (( segid " " and resid 1194 and name HA )) (( segid " " and resid 1194 and name H )) 2.700 0.900 0.900 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 4.052 ppm2 8.312 CV 1 ASSI { 2070} (( segid " " and resid 1194 and name HB3 )) (( segid " " and resid 1194 and name H )) 3.600 1.600 1.600 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.22474E-02 ppm1 2.015 ppm2 8.318 CV 1 ASSI { 2071} (( segid " " and resid 1194 and name HG3 )) (( segid " " and resid 1194 and name H )) 3.000 1.100 1.100 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.33005E-02 ppm1 2.338 ppm2 8.320 CV 1 ASSI { 2072} (( segid " " and resid 1194 and name HG2 )) (( segid " " and resid 1194 and name HA )) 2.700 0.900 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.33969E-02 ppm1 2.492 ppm2 4.054 CV 1 ASSI { 2073} (( segid " " and resid 1194 and name HA )) (( segid " " and resid 1193 and name HB )) 3.200 1.300 1.300 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.20065E-02 ppm1 4.056 ppm2 4.343 CV 1 ASSI { 2074} (( segid " " and resid 1194 and name HG2 )) (( segid " " and resid 1194 and name HG3 )) 1.800 0.400 0.400 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.12215E-01 ppm1 2.494 ppm2 2.341 CV 1 ASSI { 2076} (( segid " " and resid 1194 and name HG3 )) (( segid " " and resid 1194 and name HB3 )) 2.400 0.700 0.700 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.65497E-02 ppm1 2.341 ppm2 2.014 CV 1 ASSI { 2078} ( segid " " and resid 1192 and name HG1%) (( segid " " and resid 1193 and name H )) 3.500 1.500 1.500 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 0.833 ppm2 8.422 CV 1 ASSI { 2079} ( segid " " and resid 1192 and name HG1%) (( segid " " and resid 1192 and name H )) 3.500 1.500 1.500 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.28290E-02 ppm1 0.835 ppm2 8.100 CV 1 ASSI { 2080} ( segid " " and resid 1188 and name HG2%) (( segid " " and resid 1164 and name HA )) 2.600 2.600 3.400 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.16898E-02 ppm1 0.934 ppm2 4.237 CV 1 ASSI { 2082} ( segid " " and resid 1147 and name HG1%) (( segid " " and resid 1144 and name HB2 )) 2.700 0.900 0.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.42435E-02 ppm1 0.949 ppm2 2.533 CV 1 ASSI { 2085} (( segid " " and resid 1187 and name HG2 )) (( segid " " and resid 1187 and name HB2 )) 2.700 0.900 0.900 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.65631E-02 ppm1 2.468 ppm2 2.212 CV 1 ASSI { 2088} (( segid " " and resid 1187 and name HG2 )) (( segid " " and resid 1187 and name HA )) 2.300 0.700 0.700 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.61913E-02 ppm1 2.470 ppm2 4.002 CV 1 ASSI { 2092} (( segid " " and resid 1184 and name HB3 )) (( segid " " and resid 1185 and name H )) 4.000 2.000 2.000 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.82945E-03 ppm1 1.747 ppm2 7.935 CV 1 ASSI { 2093} (( segid " " and resid 1184 and name HB2 )) (( segid " " and resid 1184 and name H )) 2.500 0.800 0.800 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.31939E-02 ppm1 1.858 ppm2 8.029 CV 1 ASSI { 2094} (( segid " " and resid 1184 and name HB2 )) (( segid " " and resid 1185 and name H )) 2.800 1.000 1.000 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 1.860 ppm2 7.932 CV 1 ASSI { 2095} (( segid " " and resid 1184 and name HD3 )) (( segid " " and resid 1184 and name H )) 3.400 1.400 1.400 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.20030E-02 ppm1 3.152 ppm2 8.030 CV 1 OR { 2095} (( segid " " and resid 1184 and name HD2 )) (( segid " " and resid 1184 and name H )) ASSI { 2096} (( segid " " and resid 1184 and name HG3 )) (( segid " " and resid 1184 and name H )) 3.000 1.100 1.100 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.15866E-02 ppm1 1.446 ppm2 8.031 CV 1 ASSI { 2097} (( segid " " and resid 1184 and name HG3 )) (( segid " " and resid 1185 and name H )) 4.200 2.200 1.800 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.67798E-03 ppm1 1.444 ppm2 7.927 CV 1 ASSI { 2098} (( segid " " and resid 1184 and name HG2 )) (( segid " " and resid 1184 and name H )) 2.700 0.900 0.900 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.24436E-02 ppm1 1.698 ppm2 8.032 CV 1 ASSI { 2099} (( segid " " and resid 1184 and name HG2 )) (( segid " " and resid 1185 and name H )) 4.100 2.100 1.900 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.77090E-03 ppm1 1.697 ppm2 7.931 CV 1 ASSI { 2100} (( segid " " and resid 1064 and name HG )) (( segid " " and resid 1064 and name H )) 2.600 0.900 0.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 1.707 ppm2 8.414 CV 1 ASSI { 2101} (( segid " " and resid 1184 and name HG3 )) (( segid " " and resid 1184 and name HA )) 3.100 1.200 1.200 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.34347E-02 ppm1 1.451 ppm2 3.988 CV 1 ASSI { 2102} (( segid " " and resid 1184 and name HG2 )) (( segid " " and resid 1184 and name HA )) 2.600 0.800 0.800 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.35104E-02 ppm1 1.701 ppm2 3.995 CV 1 ASSI { 2104} (( segid " " and resid 1161 and name HG3 )) (( segid " " and resid 1161 and name HE2 )) 2.900 1.000 1.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.20615E-02 ppm1 1.478 ppm2 2.948 CV 1 OR { 2104} (( segid " " and resid 1161 and name HG3 )) (( segid " " and resid 1161 and name HE3 )) ASSI { 2106} (( segid " " and resid 1184 and name HG3 )) (( segid " " and resid 1184 and name HB2 )) 2.500 0.800 0.800 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.27258E-02 ppm1 1.449 ppm2 1.857 CV 1 ASSI { 2107} (( segid " " and resid 1184 and name HG3 )) (( segid " " and resid 1184 and name HG2 )) 1.800 0.400 0.400 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.94849E-02 ppm1 1.448 ppm2 1.701 CV 1 ASSI { 2109} (( segid " " and resid 1064 and name HG )) ( segid " " and resid 1064 and name HD2%) 2.300 0.700 0.700 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.60742E-02 ppm1 1.707 ppm2 0.814 CV 1 ASSI { 2110} (( segid " " and resid 1065 and name HB3 )) (( segid " " and resid 1065 and name HG2 )) 2.500 0.800 0.800 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.52003E-02 ppm1 2.151 ppm2 2.508 CV 1 OR { 2110} (( segid " " and resid 1065 and name HB3 )) (( segid " " and resid 1065 and name HG3 )) ASSI { 2111} (( segid " " and resid 1065 and name HB3 )) (( segid " " and resid 1065 and name HB2 )) 1.900 0.500 0.500 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.87348E-02 ppm1 2.150 ppm2 2.276 CV 1 ASSI { 2112} (( segid " " and resid 1181 and name HB3 )) (( segid " " and resid 1178 and name H )) 3.700 1.700 1.700 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.72277E-03 ppm1 3.825 ppm2 7.573 CV 1 ASSI { 2114} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HD3 )) 3.500 1.500 1.500 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.93613E-03 ppm1 4.251 ppm2 4.129 CV 1 ASSI { 2115} (( segid " " and resid 1086 and name HE2 )) (( segid " " and resid 1086 and name HB2 )) 3.400 1.500 1.500 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.16176E-02 ppm1 2.952 ppm2 1.828 CV 1 OR { 2115} (( segid " " and resid 1086 and name HE3 )) (( segid " " and resid 1086 and name HB2 )) ASSI { 2118} (( segid " " and resid 1176 and name HD3 )) (( segid " " and resid 1175 and name H )) 3.900 1.900 1.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.13353E-02 ppm1 3.513 ppm2 7.570 CV 1 ASSI { 2119} (( segid " " and resid 1176 and name HD2 )) (( segid " " and resid 1175 and name H )) 3.900 1.900 1.900 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 3.429 ppm2 7.572 CV 1 ASSI { 2121} (( segid " " and resid 1179 and name HG2 )) (( segid " " and resid 1181 and name H )) 4.400 2.400 1.600 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.64361E-03 ppm1 1.960 ppm2 7.837 CV 1 ASSI { 2122} (( segid " " and resid 1173 and name HA )) ( segid " " and resid 1172 and name HB% ) 3.800 1.800 1.800 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.61948E-03 ppm1 4.050 ppm2 1.424 CV 1 ASSI { 2123} (( segid " " and resid 1173 and name HB3 )) (( segid " " and resid 1172 and name H )) 4.000 2.000 2.000 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 3.832 ppm2 8.519 CV 1 ASSI { 2127} (( segid " " and resid 1171 and name HE3 )) (( segid " " and resid 1171 and name HB2 )) 2.900 1.100 1.100 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.42298E-02 ppm1 2.839 ppm2 1.897 CV 1 OR { 2127} (( segid " " and resid 1171 and name HE3 )) (( segid " " and resid 1171 and name HB3 )) OR { 2127} (( segid " " and resid 1171 and name HE2 )) (( segid " " and resid 1171 and name HB2 )) OR { 2127} (( segid " " and resid 1171 and name HE2 )) (( segid " " and resid 1171 and name HB3 )) ASSI { 2128} (( segid " " and resid 1104 and name HE2 )) (( segid " " and resid 1104 and name HG3 )) 2.700 0.900 0.900 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.39475E-02 ppm1 2.813 ppm2 1.503 CV 1 OR { 2128} (( segid " " and resid 1104 and name HE3 )) (( segid " " and resid 1104 and name HG3 )) ASSI { 2133} (( segid " " and resid 1170 and name HG2 )) (( segid " " and resid 1170 and name HA )) 3.100 1.200 1.200 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.17518E-02 ppm1 1.557 ppm2 3.867 CV 1 ASSI { 2134} (( segid " " and resid 1171 and name HG3 )) (( segid " " and resid 1171 and name HA )) 2.600 0.800 0.800 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.57716E-02 ppm1 1.379 ppm2 4.014 CV 1 ASSI { 2136} (( segid " " and resid 1096 and name HB2 )) (( segid " " and resid 1096 and name H )) 2.600 0.900 0.900 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.40714E-02 ppm1 1.896 ppm2 7.224 CV 1 OR { 2136} (( segid " " and resid 1096 and name HB3 )) (( segid " " and resid 1096 and name H )) ASSI { 2137} (( segid " " and resid 1096 and name HG2 )) (( segid " " and resid 1096 and name H )) 3.000 1.100 1.100 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.24918E-02 ppm1 1.560 ppm2 7.224 CV 1 ASSI { 2138} (( segid " " and resid 1096 and name HG3 )) (( segid " " and resid 1096 and name H )) 2.700 0.900 0.900 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 1.401 ppm2 7.223 CV 1 ASSI { 2139} (( segid " " and resid 1170 and name HB2 )) (( segid " " and resid 1170 and name H )) 2.600 0.900 0.900 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.27051E-02 ppm1 1.846 ppm2 8.299 CV 1 ASSI { 2140} (( segid " " and resid 1170 and name HG2 )) (( segid " " and resid 1170 and name H )) 3.600 1.700 1.700 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 1.562 ppm2 8.291 CV 1 ASSI { 2141} (( segid " " and resid 1096 and name HG2 )) (( segid " " and resid 1097 and name H )) 4.000 2.000 2.000 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.76405E-03 ppm1 1.559 ppm2 7.885 CV 1 ASSI { 2142} (( segid " " and resid 1104 and name HB2 )) (( segid " " and resid 1104 and name H )) 2.700 0.900 0.900 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.22749E-02 ppm1 1.852 ppm2 7.726 CV 1 ASSI { 2143} (( segid " " and resid 1168 and name HG2 )) ( segid " " and resid 1185 and name HD2%) 3.600 1.600 1.600 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 2.139 ppm2 0.744 CV 1 ASSI { 2144} (( segid " " and resid 1168 and name HG2 )) ( segid " " and resid 1188 and name HG1%) 3.500 1.500 1.500 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.75714E-03 ppm1 2.139 ppm2 1.053 CV 1 ASSI { 2145} (( segid " " and resid 1168 and name HG3 )) ( segid " " and resid 1185 and name HD2%) 3.200 1.300 1.300 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.10531E-02 ppm1 2.255 ppm2 0.744 CV 1 ASSI { 2147} (( segid " " and resid 1168 and name HB2 )) ( segid " " and resid 1188 and name HG1%) 4.000 2.000 2.000 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.59196E-03 ppm1 1.976 ppm2 1.049 CV 1 ASSI { 2148} (( segid " " and resid 1168 and name HB3 )) ( segid " " and resid 1188 and name HG1%) 3.500 1.500 1.500 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.54034E-03 ppm1 2.123 ppm2 1.050 CV 1 ASSI { 2149} (( segid " " and resid 1168 and name HA )) ( segid " " and resid 1185 and name HD2%) 4.100 2.100 1.900 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 4.011 ppm2 0.732 CV 1 ASSI { 2150} (( segid " " and resid 1061 and name HG3 )) (( segid " " and resid 1062 and name HA )) 2.300 2.300 3.700 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.73032E-02 ppm1 2.160 ppm2 3.981 CV 1 ASSI { 2151} (( segid " " and resid 1167 and name HB3 )) (( segid " " and resid 1164 and name HA )) 4.000 2.000 2.000 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 1.990 ppm2 4.242 CV 1 ASSI { 2152} (( segid " " and resid 1061 and name HG3 )) (( segid " " and resid 1062 and name H )) 2.900 1.100 1.100 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.11942E-02 ppm1 2.176 ppm2 7.421 CV 1 ASSI { 2153} (( segid " " and resid 1166 and name HA )) (( segid " " and resid 1166 and name HB )) 3.100 1.200 1.200 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.13663E-02 ppm1 3.497 ppm2 1.900 CV 1 ASSI { 2154} ( segid " " and resid 1165 and name HD1%) (( segid " " and resid 1165 and name HG )) 2.200 0.600 0.600 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.98532E-02 ppm1 0.867 ppm2 1.383 CV 1 ASSI { 2155} (( segid " " and resid 1165 and name HA )) ( segid " " and resid 1188 and name HG1%) 3.100 1.200 1.200 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.99117E-03 ppm1 3.932 ppm2 1.044 CV 1 ASSI { 2160} (( segid " " and resid 1164 and name HB2 )) (( segid " " and resid 1164 and name H )) 2.900 1.100 1.100 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 3.889 ppm2 7.305 CV 1 OR { 2160} (( segid " " and resid 1164 and name HB3 )) (( segid " " and resid 1164 and name H )) ASSI { 2163} (( segid " " and resid 1094 and name HB3 )) (( segid " " and resid 1131 and name HB2 )) 3.000 1.100 1.100 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 3.876 ppm2 1.695 CV 1 ASSI { 2164} (( segid " " and resid 1094 and name HB3 )) (( segid " " and resid 1131 and name HG )) 3.700 1.700 1.700 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.97056E-03 ppm1 3.868 ppm2 1.592 CV 1 ASSI { 2165} (( segid " " and resid 1094 and name HB3 )) ( segid " " and resid 1097 and name HB% ) 3.300 1.400 1.400 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.19893E-02 ppm1 3.876 ppm2 1.500 CV 1 ASSI { 2171} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1159 and name H )) 3.200 1.200 1.200 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.57819E-03 ppm1 1.349 ppm2 7.540 CV 1 ASSI { 2172} ( segid " " and resid 1162 and name HB% ) (( segid " " and resid 1164 and name H )) 4.200 2.200 1.800 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.64361E-03 ppm1 1.346 ppm2 7.313 CV 1 ASSI { 2174} (( segid " " and resid 1161 and name HD3 )) (( segid " " and resid 1161 and name HD2 )) 1.900 0.400 0.400 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.76165E-02 ppm1 1.544 ppm2 1.424 CV 1 OR { 2174} (( segid " " and resid 1161 and name HD3 )) (( segid " " and resid 1161 and name HG2 )) ASSI { 2175} (( segid " " and resid 1161 and name HB2 )) (( segid " " and resid 1161 and name HG2 )) 2.800 1.000 1.000 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.17965E-02 ppm1 1.739 ppm2 1.417 CV 1 OR { 2175} (( segid " " and resid 1161 and name HB3 )) (( segid " " and resid 1161 and name HG2 )) OR { 2175} (( segid " " and resid 1161 and name HB2 )) (( segid " " and resid 1161 and name HD2 )) ASSI { 2176} (( segid " " and resid 1160 and name HA )) (( segid " " and resid 1162 and name H )) 3.900 1.900 1.900 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.49216E-03 ppm1 4.280 ppm2 9.172 CV 1 ASSI { 2177} (( segid " " and resid 1086 and name HE2 )) (( segid " " and resid 1086 and name H )) 2.500 2.500 3.500 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 2.927 ppm2 7.528 CV 1 OR { 2177} (( segid " " and resid 1086 and name HE3 )) (( segid " " and resid 1086 and name H )) ASSI { 2181} (( segid " " and resid 1156 and name HB2 )) (( segid " " and resid 1157 and name H )) 4.000 2.000 2.000 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 4.065 ppm2 7.931 CV 1 ASSI { 2185} (( segid " " and resid 1156 and name HB3 )) (( segid " " and resid 1157 and name H )) 2.600 0.900 0.900 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.28256E-02 ppm1 3.925 ppm2 7.931 CV 1 ASSI { 2186} (( segid " " and resid 1157 and name HB2 )) (( segid " " and resid 1156 and name H )) 4.200 2.200 1.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.87764E-03 ppm1 2.758 ppm2 8.348 CV 1 OR { 2186} (( segid " " and resid 1157 and name HB3 )) (( segid " " and resid 1156 and name H )) ASSI { 2189} (( segid " " and resid 1156 and name HB3 )) (( segid " " and resid 1156 and name HB2 )) 1.800 0.400 0.400 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.11819E-01 ppm1 3.922 ppm2 4.064 CV 1 ASSI { 2190} ( segid " " and resid 1147 and name HG2%) (( segid " " and resid 1144 and name HB3 )) 3.200 1.300 1.300 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.18069E-02 ppm1 0.869 ppm2 2.811 CV 1 ASSI { 2192} (( segid " " and resid 1144 and name HB2 )) (( segid " " and resid 1147 and name H )) 3.700 1.700 1.700 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.65737E-03 ppm1 2.534 ppm2 7.201 CV 1 ASSI { 2193} (( segid " " and resid 1144 and name HB2 )) (( segid " " and resid 1145 and name HD2 )) 4.300 2.300 1.700 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.62979E-03 ppm1 2.520 ppm2 4.214 CV 1 ASSI { 2194} (( segid " " and resid 1144 and name HB2 )) (( segid " " and resid 1145 and name HD3 )) 4.900 3.000 1.100 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.49559E-03 ppm1 2.525 ppm2 3.908 CV 1 ASSI { 2196} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1139 and name H )) 3.800 1.800 1.800 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.14834E-02 ppm1 1.166 ppm2 8.426 CV 1 ASSI { 2197} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1137 and name H )) 3.000 3.000 3.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.80533E-03 ppm1 1.167 ppm2 7.662 CV 1 ASSI { 2198} ( segid " " and resid 1140 and name HB% ) (( segid " " and resid 1142 and name H )) 3.800 1.900 1.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 1.166 ppm2 7.548 CV 1 ASSI { 2199} (( segid " " and resid 1136 and name HD3 )) ( segid " " and resid 1064 and name HD2%) 3.100 1.200 1.200 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 3.122 ppm2 0.812 CV 1 ASSI { 2201} (( segid " " and resid 1136 and name HD2 )) ( segid " " and resid 1067 and name HG2%) 3.300 1.400 1.400 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 3.039 ppm2 0.872 CV 1 ASSI { 2202} (( segid " " and resid 1136 and name HD2 )) ( segid " " and resid 1064 and name HD2%) 3.100 1.200 1.200 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.13353E-02 ppm1 3.037 ppm2 0.792 CV 1 ASSI { 2203} (( segid " " and resid 1136 and name HG2 )) ( segid " " and resid 1067 and name HG2%) 3.300 1.400 1.400 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 1.682 ppm2 0.861 CV 1 ASSI { 2204} (( segid " " and resid 1133 and name HG3 )) (( segid " " and resid 1133 and name HA )) 2.800 1.000 1.000 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 2.317 ppm2 3.932 CV 1 ASSI { 2205} (( segid " " and resid 1131 and name HG )) (( segid " " and resid 1131 and name HB3 )) 3.100 1.200 1.200 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.95674E-03 ppm1 1.607 ppm2 1.930 CV 1 ASSI { 2207} (( segid " " and resid 1129 and name HB2 )) ( segid " " and resid 1060 and name HD1%) 3.600 1.600 1.600 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.13973E-02 ppm1 1.847 ppm2 0.682 CV 1 ASSI { 2208} (( segid " " and resid 1129 and name HD3 )) ( segid " " and resid 1060 and name HD1%) 3.100 1.200 1.200 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 3.177 ppm2 0.686 CV 1 OR { 2208} (( segid " " and resid 1129 and name HD2 )) ( segid " " and resid 1060 and name HD1%) ASSI { 2209} (( segid " " and resid 1129 and name HG2 )) ( segid " " and resid 1060 and name HD1%) 3.100 1.200 1.200 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.12149E-02 ppm1 1.766 ppm2 0.664 CV 1 ASSI { 2210} (( segid " " and resid 1078 and name HG2 )) ( segid " " and resid 1140 and name HB% ) 3.800 1.800 1.800 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 1.757 ppm2 1.169 CV 1 ASSI { 2211} (( segid " " and resid 1129 and name HB2 )) (( segid " " and resid 1129 and name H )) 2.700 0.900 0.900 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.28565E-02 ppm1 1.849 ppm2 8.113 CV 1 ASSI { 2212} (( segid " " and resid 1129 and name HD2 )) (( segid " " and resid 1129 and name H )) 3.400 1.500 1.500 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.21338E-02 ppm1 3.178 ppm2 8.111 CV 1 OR { 2212} (( segid " " and resid 1129 and name HD3 )) (( segid " " and resid 1129 and name H )) ASSI { 2213} (( segid " " and resid 1129 and name HG2 )) (( segid " " and resid 1129 and name H )) 3.000 1.200 1.200 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.13938E-02 ppm1 1.774 ppm2 8.111 CV 1 ASSI { 2216} (( segid " " and resid 1129 and name HB2 )) (( segid " " and resid 1130 and name H )) 3.000 1.100 1.100 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.14558E-02 ppm1 1.851 ppm2 7.399 CV 1 ASSI { 2217} (( segid " " and resid 1129 and name HD2 )) (( segid " " and resid 1130 and name H )) 3.700 1.700 1.700 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.11805E-02 ppm1 3.179 ppm2 7.400 CV 1 OR { 2217} (( segid " " and resid 1129 and name HD3 )) (( segid " " and resid 1130 and name H )) ASSI { 2218} (( segid " " and resid 1129 and name HG2 )) (( segid " " and resid 1130 and name H )) 3.600 1.600 1.600 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.82945E-03 ppm1 1.771 ppm2 7.387 CV 1 ASSI { 2221} (( segid " " and resid 1121 and name HA )) (( segid " " and resid 1122 and name H )) 2.800 1.000 1.000 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 3.765 ppm2 7.929 CV 1 ASSI { 2222} (( segid " " and resid 1063 and name HB3 )) (( segid " " and resid 1063 and name HB2 )) 2.000 0.500 0.500 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.88104E-02 ppm1 2.907 ppm2 2.529 CV 1 ASSI { 2226} ( segid " " and resid 1120 and name HB% ) ( segid " " and resid 1105 and name HD2%) 2.600 0.900 0.900 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.35414E-02 ppm1 1.476 ppm2 0.919 CV 1 ASSI { 2227} ( segid " " and resid 1120 and name HB% ) (( segid " " and resid 1105 and name HB3 )) 2.500 2.500 3.500 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.21510E-02 ppm1 1.477 ppm2 2.307 CV 1 ASSI { 2228} ( segid " " and resid 1103 and name HB% ) (( segid " " and resid 1102 and name H )) 3.500 1.500 1.500 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 1.466 ppm2 8.540 CV 1 ASSI { 2229} ( segid " " and resid 1120 and name HB% ) (( segid " " and resid 1105 and name H )) 2.700 0.900 0.900 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.33143E-02 ppm1 1.475 ppm2 8.442 CV 1 ASSI { 2231} (( segid " " and resid 1119 and name HA )) (( segid " " and resid 1120 and name H )) 3.600 1.700 1.700 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.65737E-03 ppm1 3.538 ppm2 7.793 CV 1 ASSI { 2232} (( segid " " and resid 1119 and name HA )) (( segid " " and resid 1119 and name H )) 3.000 1.200 1.200 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 3.536 ppm2 7.358 CV 1 ASSI { 2233} (( segid " " and resid 1119 and name HB )) (( segid " " and resid 1120 and name H )) 2.900 1.100 1.100 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.13423E-02 ppm1 1.772 ppm2 7.796 CV 1 ASSI { 2234} (( segid " " and resid 1119 and name HG12)) (( segid " " and resid 1119 and name H )) 3.900 1.900 1.900 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 1.109 ppm2 7.360 CV 1 ASSI { 2235} (( segid " " and resid 1119 and name HG13)) (( segid " " and resid 1119 and name H )) 2.500 0.800 0.800 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.19652E-02 ppm1 1.588 ppm2 7.353 CV 1 ASSI { 2236} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1119 and name H )) 3.500 1.500 1.500 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.30080E-02 ppm1 0.798 ppm2 7.356 CV 1 ASSI { 2237} ( segid " " and resid 1119 and name HG2%) ( segid " " and resid 1116 and name HD% ) 3.700 1.800 1.800 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 0.797 ppm2 7.017 CV 1 ASSI { 2240} (( segid " " and resid 1119 and name HG12)) (( segid " " and resid 1119 and name HA )) 2.800 1.000 1.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.20959E-02 ppm1 1.112 ppm2 3.539 CV 1 ASSI { 2241} (( segid " " and resid 1119 and name HG13)) (( segid " " and resid 1119 and name HA )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.20305E-02 ppm1 1.588 ppm2 3.539 CV 1 ASSI { 2242} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1119 and name HA )) 2.400 0.700 0.700 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.71551E-02 ppm1 0.799 ppm2 3.537 CV 1 ASSI { 2243} (( segid " " and resid 1119 and name HA )) (( segid " " and resid 1122 and name HB2 )) 3.100 1.200 1.200 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 3.532 ppm2 2.243 CV 1 ASSI { 2244} (( segid " " and resid 1119 and name HA )) (( segid " " and resid 1122 and name HB3 )) 3.100 1.200 1.200 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 3.535 ppm2 2.003 CV 1 ASSI { 2245} (( segid " " and resid 1119 and name HA )) (( segid " " and resid 1119 and name HB )) 3.100 1.200 1.200 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.15556E-02 ppm1 3.535 ppm2 1.773 CV 1 ASSI { 2247} (( segid " " and resid 1119 and name HG12)) (( segid " " and resid 1119 and name HB )) 3.200 1.300 1.300 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 1.107 ppm2 1.779 CV 1 ASSI { 2248} (( segid " " and resid 1119 and name HG12)) (( segid " " and resid 1119 and name HG13)) 2.000 0.500 0.500 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.58681E-02 ppm1 1.110 ppm2 1.592 CV 1 ASSI { 2249} ( segid " " and resid 1102 and name HG2%) (( segid " " and resid 1102 and name HB )) 2.200 0.600 0.600 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.71241E-02 ppm1 0.814 ppm2 1.870 CV 1 ASSI { 2250} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1119 and name HB )) 2.100 0.500 0.500 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.11626E-01 ppm1 0.800 ppm2 1.777 CV 1 ASSI { 2251} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1119 and name HG13)) 3.100 1.200 1.200 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.53380E-02 ppm1 0.799 ppm2 1.589 CV 1 ASSI { 2258} (( segid " " and resid 1118 and name HA3 )) (( segid " " and resid 1118 and name HA2 )) 2.300 0.700 0.700 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 3.974 ppm2 3.554 CV 1 ASSI { 2260} (( segid " " and resid 1118 and name HA2 )) ( segid " " and resid 1050 and name HE% ) 3.500 1.500 1.500 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.81909E-03 ppm1 3.555 ppm2 1.844 CV 1 ASSI { 2261} (( segid " " and resid 1118 and name HA3 )) ( segid " " and resid 1050 and name HE% ) 4.200 2.200 1.800 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 3.979 ppm2 1.838 CV 1 ASSI { 2262} (( segid " " and resid 1118 and name HA2 )) (( segid " " and resid 1119 and name H )) 4.000 2.000 2.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.51624E-03 ppm1 3.543 ppm2 7.359 CV 1 ASSI { 2263} (( segid " " and resid 1118 and name HA3 )) (( segid " " and resid 1118 and name H )) 2.700 0.900 0.900 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.19686E-02 ppm1 3.978 ppm2 7.932 CV 1 ASSI { 2264} (( segid " " and resid 1118 and name HA3 )) (( segid " " and resid 1119 and name H )) 3.500 1.500 1.500 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.56098E-03 ppm1 3.973 ppm2 7.355 CV 1 ASSI { 2265} (( segid " " and resid 1118 and name HA2 )) (( segid " " and resid 1118 and name H )) 3.300 1.300 1.300 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.16279E-02 ppm1 3.559 ppm2 7.933 CV 1 ASSI { 2266} ( segid " " and resid 1117 and name HB% ) (( segid " " and resid 1117 and name HA )) 2.100 0.600 0.600 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.11990E-01 ppm1 1.301 ppm2 3.959 CV 1 ASSI { 2267} (( segid " " and resid 1117 and name HA )) (( segid " " and resid 1105 and name HA )) 3.200 1.300 1.300 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 3.955 ppm2 3.730 CV 1 ASSI { 2269} (( segid " " and resid 1107 and name HA3 )) (( segid " " and resid 1107 and name HA2 )) 2.200 0.600 0.600 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.47873E-02 ppm1 3.999 ppm2 3.881 CV 1 ASSI { 2272} (( segid " " and resid 1107 and name HA3 )) (( segid " " and resid 1107 and name H )) 3.100 1.200 1.200 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 3.997 ppm2 7.841 CV 1 ASSI { 2274} (( segid " " and resid 1107 and name HA2 )) (( segid " " and resid 1107 and name H )) 2.900 1.000 1.000 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.24848E-02 ppm1 3.882 ppm2 7.838 CV 1 ASSI { 2275} ( segid " " and resid 1102 and name HD1%) (( segid " " and resid 1193 and name H )) 3.700 1.700 1.700 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.61948E-03 ppm1 0.701 ppm2 8.436 CV 1 ASSI { 2276} ( segid " " and resid 1119 and name HG2%) ( segid " " and resid 1116 and name HE% ) 3.500 1.500 1.500 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 0.802 ppm2 6.777 CV 1 ASSI { 2277} ( segid " " and resid 1102 and name HG2%) (( segid " " and resid 1102 and name HG13)) 3.300 1.300 1.300 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.34210E-02 ppm1 0.811 ppm2 2.010 CV 1 ASSI { 2278} (( segid " " and resid 1102 and name HB )) (( segid " " and resid 1102 and name HG13)) 3.000 1.100 1.100 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.10049E-02 ppm1 1.874 ppm2 2.022 CV 1 ASSI { 2279} ( segid " " and resid 1102 and name HG2%) ( segid " " and resid 1101 and name HB% ) 2.800 1.000 1.000 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.50041E-02 ppm1 0.810 ppm2 1.479 CV 1 ASSI { 2280} ( segid " " and resid 1119 and name HG2%) (( segid " " and resid 1119 and name HG12)) 2.500 0.800 0.800 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.48286E-02 ppm1 0.798 ppm2 1.111 CV 1 ASSI { 2282} (( segid " " and resid 1098 and name HA )) ( segid " " and resid 1098 and name HG1%) 2.800 1.000 1.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.33143E-02 ppm1 3.517 ppm2 1.021 CV 1 ASSI { 2283} (( segid " " and resid 1098 and name HA )) ( segid " " and resid 1098 and name HG2%) 2.600 0.800 0.800 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.36309E-02 ppm1 3.515 ppm2 0.849 CV 1 ASSI { 2284} ( segid " " and resid 1098 and name HG2%) ( segid " " and resid 1098 and name HG1%) 2.200 0.600 0.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.11306E-01 ppm1 0.850 ppm2 1.024 CV 1 ASSI { 2286} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1098 and name HB )) 3.000 1.100 1.100 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.13938E-02 ppm1 3.517 ppm2 2.058 CV 1 ASSI { 2287} ( segid " " and resid 1098 and name HG1%) ( segid " " and resid 1097 and name HB% ) 3.200 1.300 1.300 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.35828E-02 ppm1 1.022 ppm2 1.499 CV 1 ASSI { 2288} ( segid " " and resid 1098 and name HG1%) (( segid " " and resid 1098 and name HB )) 2.300 0.700 0.700 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.68623E-02 ppm1 1.022 ppm2 2.054 CV 1 ASSI { 2289} ( segid " " and resid 1098 and name HG1%) (( segid " " and resid 1128 and name HG )) 2.700 2.700 3.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.46565E-02 ppm1 1.021 ppm2 1.955 CV 1 ASSI { 2291} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1129 and name HB2 )) 2.900 1.000 1.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.36860E-02 ppm1 0.856 ppm2 1.856 CV 1 ASSI { 2294} ( segid " " and resid 1098 and name HG1%) (( segid " " and resid 1124 and name HA )) 3.300 1.400 1.400 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 1.022 ppm2 3.405 CV 1 ASSI { 2295} ( segid " " and resid 1098 and name HG1%) (( segid " " and resid 1127 and name HA3 )) 2.500 0.800 0.800 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.67938E-02 ppm1 1.023 ppm2 4.003 CV 1 ASSI { 2296} ( segid " " and resid 1098 and name HG1%) (( segid " " and resid 1095 and name HA )) 2.800 1.000 1.000 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.29219E-02 ppm1 1.023 ppm2 3.870 CV 1 ASSI { 2297} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1099 and name H )) 3.400 1.400 1.400 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.83285E-03 ppm1 3.516 ppm2 8.273 CV 1 ASSI { 2299} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1101 and name H )) 3.300 1.400 1.400 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.91201E-03 ppm1 3.515 ppm2 7.839 CV 1 ASSI { 2300} (( segid " " and resid 1098 and name HA )) (( segid " " and resid 1098 and name H )) 2.800 1.000 1.000 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.20099E-02 ppm1 3.515 ppm2 8.654 CV 1 ASSI { 2303} ( segid " " and resid 1098 and name HG2%) (( segid " " and resid 1098 and name H )) 3.000 1.100 1.100 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.29185E-02 ppm1 0.851 ppm2 8.654 CV 1 ASSI { 2304} ( segid " " and resid 1098 and name HG2%) (( segid " " and resid 1102 and name H )) 3.100 1.200 1.200 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.19204E-02 ppm1 0.849 ppm2 8.543 CV 1 ASSI { 2305} ( segid " " and resid 1098 and name HG2%) (( segid " " and resid 1099 and name H )) 2.900 1.000 1.000 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.33453E-02 ppm1 0.853 ppm2 8.274 CV 1 ASSI { 2307} ( segid " " and resid 1191 and name HB% ) (( segid " " and resid 1194 and name H )) 3.500 1.500 1.500 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.15349E-02 ppm1 1.511 ppm2 8.303 CV 1 ASSI { 2308} ( segid " " and resid 1191 and name HB% ) (( segid " " and resid 1191 and name HA )) 2.000 0.500 0.500 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.16702E-01 ppm1 1.514 ppm2 4.190 CV 1 ASSI { 2309} ( segid " " and resid 1191 and name HB% ) (( segid " " and resid 1161 and name HE2 )) 2.800 1.000 1.000 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.50867E-02 ppm1 1.514 ppm2 2.948 CV 1 OR { 2309} ( segid " " and resid 1191 and name HB% ) (( segid " " and resid 1161 and name HE3 )) ASSI { 2310} (( segid " " and resid 1096 and name HA )) ( segid " " and resid 1196 and name HD1%) 3.500 1.500 1.500 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.11082E-02 ppm1 4.058 ppm2 0.839 CV 1 ASSI { 2313} (( segid " " and resid 1170 and name HG2 )) (( segid " " and resid 1170 and name HG3 )) 2.000 0.500 0.500 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.60057E-02 ppm1 1.557 ppm2 1.317 CV 1 ASSI { 2315} (( segid " " and resid 1096 and name HG3 )) (( segid " " and resid 1096 and name HE2 )) 2.800 1.000 1.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.26156E-02 ppm1 1.396 ppm2 2.887 CV 1 OR { 2315} (( segid " " and resid 1096 and name HG3 )) (( segid " " and resid 1096 and name HE3 )) ASSI { 2317} (( segid " " and resid 1198 and name HA )) (( segid " " and resid 1201 and name HB3 )) 2.500 0.800 0.800 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.39648E-02 ppm1 4.070 ppm2 3.877 CV 1 ASSI { 2319} (( segid " " and resid 1096 and name HE2 )) (( segid " " and resid 1093 and name HA )) 2.800 1.000 1.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.31147E-02 ppm1 2.904 ppm2 4.475 CV 1 OR { 2319} (( segid " " and resid 1096 and name HE3 )) (( segid " " and resid 1093 and name HA )) ASSI { 2320} (( segid " " and resid 1096 and name HA )) (( segid " " and resid 1096 and name H )) 2.700 0.900 0.900 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.26569E-02 ppm1 4.069 ppm2 7.223 CV 1 ASSI { 2321} (( segid " " and resid 1096 and name HE2 )) (( segid " " and resid 1096 and name H )) 3.400 1.500 1.500 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 2.904 ppm2 7.211 CV 1 OR { 2321} (( segid " " and resid 1096 and name HE3 )) (( segid " " and resid 1096 and name H )) ASSI { 2322} (( segid " " and resid 1096 and name HD3 )) (( segid " " and resid 1096 and name H )) 3.500 1.600 1.600 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 1.655 ppm2 7.222 CV 1 OR { 2322} (( segid " " and resid 1096 and name HD2 )) (( segid " " and resid 1096 and name H )) ASSI { 2324} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1087 and name H )) 4.200 2.200 1.800 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 1.279 ppm2 8.654 CV 1 ASSI { 2325} (( segid " " and resid 1095 and name HA )) (( segid " " and resid 1099 and name H )) 3.600 1.600 1.600 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.57819E-03 ppm1 3.860 ppm2 8.273 CV 1 ASSI { 2326} ( segid " " and resid 1095 and name HG2%) (( segid " " and resid 1099 and name H )) 3.500 1.600 1.600 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.87073E-03 ppm1 1.280 ppm2 8.277 CV 1 ASSI { 2327} ( segid " " and resid 1095 and name HG2%) (( segid " " and resid 1095 and name H )) 2.900 1.000 1.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.70760E-02 ppm1 1.279 ppm2 7.973 CV 1 ASSI { 2328} (( segid " " and resid 1095 and name HA )) (( segid " " and resid 1095 and name H )) 2.900 1.000 1.000 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 3.862 ppm2 7.973 CV 1 ASSI { 2329} (( segid " " and resid 1095 and name HA )) (( segid " " and resid 1096 and name H )) 3.400 1.500 1.500 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.79848E-03 ppm1 3.865 ppm2 7.212 CV 1 ASSI { 2331} ( segid " " and resid 1095 and name HG2%) (( segid " " and resid 1200 and name H )) 3.800 1.800 1.800 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 1.277 ppm2 7.341 CV 1 ASSI { 2332} ( segid " " and resid 1095 and name HG2%) (( segid " " and resid 1096 and name H )) 3.100 1.200 1.200 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.17346E-02 ppm1 1.277 ppm2 7.226 CV 1 ASSI { 2333} ( segid " " and resid 1095 and name HG2%) (( segid " " and resid 1197 and name HA )) 3.200 1.300 1.300 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 1.278 ppm2 4.394 CV 1 ASSI { 2334} (( segid " " and resid 1095 and name HA )) (( segid " " and resid 1095 and name HB )) 2.600 0.900 0.900 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.35242E-02 ppm1 3.862 ppm2 4.154 CV 1 ASSI { 2336} ( segid " " and resid 1095 and name HG2%) (( segid " " and resid 1095 and name HA )) 2.200 0.600 0.600 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.96676E-02 ppm1 1.279 ppm2 3.858 CV 1 ASSI { 2337} (( segid " " and resid 1095 and name HA )) (( segid " " and resid 1098 and name HB )) 3.200 3.200 2.800 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.14455E-02 ppm1 3.860 ppm2 2.054 CV 1 ASSI { 2340} (( segid " " and resid 1095 and name HA )) ( segid " " and resid 1196 and name HD2%) 2.600 0.800 0.800 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.33418E-02 ppm1 3.861 ppm2 0.764 CV 1 ASSI { 2346} ( segid " " and resid 1095 and name HG2%) ( segid " " and resid 1196 and name HD1%) 2.100 0.500 0.500 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.14520E-01 ppm1 1.278 ppm2 0.832 CV 1 ASSI { 2347} (( segid " " and resid 1094 and name HA )) ( segid " " and resid 1097 and name HB% ) 2.900 1.100 1.100 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 4.379 ppm2 1.506 CV 1 ASSI { 2348} (( segid " " and resid 1094 and name HA )) (( segid " " and resid 1094 and name HB2 )) 2.800 1.000 1.000 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.31147E-02 ppm1 4.379 ppm2 3.998 CV 1 ASSI { 2349} (( segid " " and resid 1094 and name HA )) (( segid " " and resid 1094 and name HB3 )) 2.600 0.900 0.900 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.31972E-02 ppm1 4.380 ppm2 3.881 CV 1 ASSI { 2352} (( segid " " and resid 1092 and name HA3 )) ( segid " " and resid 1200 and name HG1%) 3.900 1.900 1.900 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.10635E-02 ppm1 3.676 ppm2 1.007 CV 1 ASSI { 2353} (( segid " " and resid 1092 and name HA3 )) ( segid " " and resid 1200 and name HG2%) 4.100 2.100 1.900 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.72962E-03 ppm1 3.674 ppm2 0.922 CV 1 ASSI { 2354} (( segid " " and resid 1092 and name HA3 )) ( segid " " and resid 1091 and name HD2%) 4.400 2.400 1.600 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.60572E-03 ppm1 3.666 ppm2 0.835 CV 1 ASSI { 2356} (( segid " " and resid 1092 and name HA2 )) ( segid " " and resid 1200 and name HG2%) 4.000 2.000 2.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.63324E-03 ppm1 4.069 ppm2 0.916 CV 1 ASSI { 2358} (( segid " " and resid 1092 and name HA3 )) ( segid " " and resid 1095 and name HG2%) 4.600 2.700 1.400 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.70895E-03 ppm1 3.673 ppm2 1.285 CV 1 ASSI { 2359} (( segid " " and resid 1092 and name HA2 )) ( segid " " and resid 1095 and name HG2%) 4.100 2.100 1.900 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.55066E-03 ppm1 4.077 ppm2 1.281 CV 1 ASSI { 2361} (( segid " " and resid 1092 and name HA3 )) (( segid " " and resid 1092 and name HA2 )) 2.000 0.500 0.500 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.63945E-02 ppm1 3.676 ppm2 4.066 CV 1 ASSI { 2362} (( segid " " and resid 1092 and name HA3 )) (( segid " " and resid 1092 and name H )) 2.600 0.800 0.800 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.29116E-02 ppm1 3.676 ppm2 8.058 CV 1 ASSI { 2366} (( segid " " and resid 1091 and name HA )) (( segid " " and resid 1094 and name H )) 3.200 1.200 1.200 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 3.828 ppm2 8.559 CV 1 ASSI { 2367} (( segid " " and resid 1091 and name HA )) (( segid " " and resid 1091 and name H )) 2.900 1.000 1.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.19239E-02 ppm1 3.828 ppm2 8.466 CV 1 ASSI { 2369} (( segid " " and resid 1091 and name HB2 )) (( segid " " and resid 1092 and name H )) 3.700 1.700 1.700 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 1.867 ppm2 8.040 CV 1 ASSI { 2371} (( segid " " and resid 1091 and name HA )) (( segid " " and resid 1095 and name H )) 3.600 1.600 1.600 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.62979E-03 ppm1 3.834 ppm2 7.973 CV 1 ASSI { 2372} (( segid " " and resid 1091 and name HA )) (( segid " " and resid 1092 and name H )) 3.400 1.500 1.500 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.92923E-03 ppm1 3.825 ppm2 8.065 CV 1 ASSI { 2373} (( segid " " and resid 1091 and name HB3 )) (( segid " " and resid 1091 and name H )) 3.000 1.100 1.100 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.17759E-02 ppm1 1.709 ppm2 8.467 CV 1 ASSI { 2374} (( segid " " and resid 1091 and name HB3 )) (( segid " " and resid 1092 and name H )) 2.900 1.100 1.100 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.10807E-02 ppm1 1.715 ppm2 8.052 CV 1 ASSI { 2376} ( segid " " and resid 1091 and name HD1%) (( segid " " and resid 1091 and name H )) 3.200 1.300 1.300 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.45602E-02 ppm1 0.827 ppm2 8.465 CV 1 ASSI { 2378} (( segid " " and resid 1091 and name HG )) (( segid " " and resid 1092 and name H )) 3.600 1.600 1.600 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.11942E-02 ppm1 1.578 ppm2 8.064 CV 1 ASSI { 2379} (( segid " " and resid 1091 and name HG )) (( segid " " and resid 1135 and name H )) 4.100 2.100 1.900 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.68834E-03 ppm1 1.578 ppm2 8.805 CV 1 ASSI { 2380} ( segid " " and resid 1091 and name HD1%) (( segid " " and resid 1135 and name H )) 2.500 0.800 0.800 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.51315E-02 ppm1 0.830 ppm2 8.812 CV 1 ASSI { 2387} (( segid " " and resid 1091 and name HG )) (( segid " " and resid 1091 and name HA )) 2.600 0.900 0.900 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.38202E-02 ppm1 1.578 ppm2 3.825 CV 1 ASSI { 2388} (( segid " " and resid 1075 and name HD2 )) (( segid " " and resid 1075 and name HA )) 2.800 1.000 1.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.24848E-02 ppm1 1.577 ppm2 4.356 CV 1 OR { 2388} (( segid " " and resid 1075 and name HD3 )) (( segid " " and resid 1075 and name HA )) ASSI { 2389} (( segid " " and resid 1091 and name HA )) (( segid " " and resid 1091 and name HB2 )) 2.700 0.900 0.900 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.23197E-02 ppm1 3.827 ppm2 1.871 CV 1 ASSI { 2390} (( segid " " and resid 1091 and name HA )) (( segid " " and resid 1091 and name HB3 )) 3.000 1.100 1.100 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.21786E-02 ppm1 3.825 ppm2 1.712 CV 1 ASSI { 2392} (( segid " " and resid 1091 and name HB2 )) (( segid " " and resid 1091 and name HB3 )) 2.300 0.600 0.600 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.24057E-02 ppm1 1.866 ppm2 1.713 CV 1 ASSI { 2395} (( segid " " and resid 1091 and name HG )) (( segid " " and resid 1091 and name HB2 )) 2.800 1.000 1.000 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.28944E-02 ppm1 1.579 ppm2 1.865 CV 1 ASSI { 2396} (( segid " " and resid 1075 and name HD2 )) (( segid " " and resid 1075 and name HB3 )) 2.700 0.900 0.900 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.28083E-02 ppm1 1.584 ppm2 2.025 CV 1 OR { 2396} (( segid " " and resid 1075 and name HD3 )) (( segid " " and resid 1075 and name HB3 )) ASSI { 2397} (( segid " " and resid 1076 and name HB3 )) (( segid " " and resid 1076 and name HB2 )) 2.000 0.500 0.500 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.68044E-02 ppm1 1.862 ppm2 0.886 CV 1 OR { 2397} (( segid " " and resid 1076 and name HB3 )) ( segid " " and resid 1076 and name HD2%) ASSI { 2399} (( segid " " and resid 1091 and name HG )) ( segid " " and resid 1091 and name HD2%) 2.200 0.600 0.600 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.83010E-02 ppm1 1.578 ppm2 0.827 CV 1 OR { 2399} (( segid " " and resid 1091 and name HG )) ( segid " " and resid 1091 and name HD1%) ASSI { 2400} (( segid " " and resid 1089 and name HB2 )) (( segid " " and resid 1089 and name H )) 2.400 0.700 0.700 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.48940E-02 ppm1 2.153 ppm2 7.533 CV 1 OR { 2400} (( segid " " and resid 1089 and name HB3 )) (( segid " " and resid 1089 and name H )) ASSI { 2402} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name HE22)) 3.700 1.700 1.700 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.14145E-02 ppm1 2.310 ppm2 6.781 CV 1 ASSI { 2404} (( segid " " and resid 1088 and name HA )) (( segid " " and resid 1091 and name HB2 )) 2.800 1.000 1.000 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 3.717 ppm2 1.873 CV 1 ASSI { 2405} (( segid " " and resid 1088 and name HA )) (( segid " " and resid 1091 and name HB3 )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 3.718 ppm2 1.719 CV 1 ASSI { 2406} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1084 and name HG2 )) 3.100 1.200 1.200 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 1.247 ppm2 2.610 CV 1 ASSI { 2407} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1084 and name HG3 )) 2.700 0.900 0.900 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.27464E-02 ppm1 1.246 ppm2 2.439 CV 1 ASSI { 2408} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1088 and name HA )) 2.300 0.600 0.600 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.89415E-02 ppm1 1.247 ppm2 3.717 CV 1 ASSI { 2409} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1204 and name HD2 )) 2.900 1.100 1.100 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 1.248 ppm2 3.469 CV 1 ASSI { 2410} (( segid " " and resid 1088 and name HA )) (( segid " " and resid 1088 and name HB )) 2.600 0.800 0.800 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.34760E-02 ppm1 3.717 ppm2 4.143 CV 1 ASSI { 2412} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1089 and name H )) 3.400 1.400 1.400 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.26501E-02 ppm1 1.247 ppm2 7.536 CV 1 ASSI { 2414} ( segid " " and resid 1088 and name HG2%) (( segid " " and resid 1088 and name H )) 2.400 0.700 0.700 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.55376E-02 ppm1 1.247 ppm2 8.376 CV 1 ASSI { 2415} (( segid " " and resid 1088 and name HB )) (( segid " " and resid 1088 and name H )) 3.200 1.300 1.300 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 4.138 ppm2 8.376 CV 1 ASSI { 2417} (( segid " " and resid 1088 and name HA )) (( segid " " and resid 1091 and name H )) 3.300 1.400 1.400 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 3.718 ppm2 8.466 CV 1 ASSI { 2419} (( segid " " and resid 1087 and name HB2 )) (( segid " " and resid 1088 and name H )) 3.300 1.300 1.300 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.83630E-03 ppm1 3.378 ppm2 8.374 CV 1 ASSI { 2421} (( segid " " and resid 1087 and name HB3 )) (( segid " " and resid 1088 and name H )) 3.600 1.600 1.600 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.78126E-03 ppm1 2.453 ppm2 8.371 CV 1 ASSI { 2423} (( segid " " and resid 1087 and name HA )) (( segid " " and resid 1087 and name H )) 3.100 1.200 1.200 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.15281E-02 ppm1 4.129 ppm2 8.670 CV 1 ASSI { 2424} (( segid " " and resid 1087 and name HB3 )) (( segid " " and resid 1087 and name HA )) 3.200 1.300 1.300 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.11633E-02 ppm1 2.452 ppm2 4.139 CV 1 ASSI { 2427} (( segid " " and resid 1087 and name HA )) (( segid " " and resid 1087 and name HB2 )) 3.500 1.500 1.500 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.92923E-03 ppm1 4.130 ppm2 3.374 CV 1 ASSI { 2429} (( segid " " and resid 1087 and name HA )) (( segid " " and resid 1090 and name HB3 )) 3.000 1.100 1.100 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.17862E-02 ppm1 4.130 ppm2 2.784 CV 1 ASSI { 2430} (( segid " " and resid 1087 and name HA )) (( segid " " and resid 1090 and name HB2 )) 3.400 1.400 1.400 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 4.129 ppm2 2.635 CV 1 ASSI { 2431} (( segid " " and resid 1087 and name HB2 )) (( segid " " and resid 1087 and name HB3 )) 2.600 0.800 0.800 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.16073E-02 ppm1 3.375 ppm2 2.456 CV 1 ASSI { 2433} (( segid " " and resid 1087 and name HB2 )) ( segid " " and resid 1138 and name HG2%) 3.400 1.500 1.500 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 3.375 ppm2 0.918 CV 1 ASSI { 2434} (( segid " " and resid 1086 and name HB2 )) (( segid " " and resid 1086 and name HG2 )) 2.900 1.000 1.000 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.21613E-02 ppm1 1.845 ppm2 1.411 CV 1 OR { 2434} (( segid " " and resid 1086 and name HB3 )) (( segid " " and resid 1086 and name HG2 )) ASSI { 2435} (( segid " " and resid 1075 and name HD2 )) (( segid " " and resid 1075 and name HG3 )) 2.500 0.800 0.800 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.54378E-02 ppm1 1.568 ppm2 1.294 CV 1 OR { 2435} (( segid " " and resid 1075 and name HD3 )) (( segid " " and resid 1075 and name HG3 )) ASSI { 2436} (( segid " " and resid 1085 and name HB3 )) (( segid " " and resid 1086 and name H )) 3.200 1.300 1.300 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.18344E-02 ppm1 1.969 ppm2 7.543 CV 1 ASSI { 2437} (( segid " " and resid 1085 and name HG2 )) (( segid " " and resid 1086 and name H )) 3.400 1.400 1.400 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 2.188 ppm2 7.542 CV 1 ASSI { 2438} (( segid " " and resid 1085 and name HA )) (( segid " " and resid 1085 and name H )) 2.700 0.900 0.900 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 3.872 ppm2 9.149 CV 1 ASSI { 2441} (( segid " " and resid 1085 and name HG2 )) (( segid " " and resid 1085 and name H )) 3.000 1.100 1.100 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.18275E-02 ppm1 2.186 ppm2 9.150 CV 1 ASSI { 2442} (( segid " " and resid 1085 and name HG3 )) (( segid " " and resid 1085 and name HA )) 2.800 1.000 1.000 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.36757E-02 ppm1 2.260 ppm2 3.874 CV 1 ASSI { 2443} (( segid " " and resid 1085 and name HB3 )) (( segid " " and resid 1085 and name HA )) 2.400 0.700 0.700 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.50523E-02 ppm1 1.970 ppm2 3.875 CV 1 ASSI { 2445} (( segid " " and resid 1085 and name HB2 )) (( segid " " and resid 1085 and name HG2 )) 2.800 0.900 0.900 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.43261E-02 ppm1 1.832 ppm2 2.187 CV 1 ASSI { 2451} (( segid " " and resid 1085 and name HG3 )) (( segid " " and resid 1085 and name HB2 )) 2.400 0.700 0.700 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.49904E-02 ppm1 2.260 ppm2 1.834 CV 1 ASSI { 2452} (( segid " " and resid 1083 and name HA )) (( segid " " and resid 1084 and name H )) 2.700 0.900 0.900 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.28083E-02 ppm1 4.454 ppm2 9.342 CV 1 ASSI { 2455} ( segid " " and resid 1083 and name HG2%) (( segid " " and resid 1086 and name H )) 3.700 1.700 1.700 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 1.148 ppm2 7.547 CV 1 ASSI { 2456} ( segid " " and resid 1083 and name HG2%) (( segid " " and resid 1083 and name H )) 2.500 0.800 0.800 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.56408E-02 ppm1 1.149 ppm2 7.215 CV 1 ASSI { 2458} ( segid " " and resid 1083 and name HG2%) (( segid " " and resid 1083 and name HB )) 2.100 0.600 0.600 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.12307E-01 ppm1 1.148 ppm2 4.528 CV 1 ASSI { 2459} ( segid " " and resid 1083 and name HG2%) (( segid " " and resid 1083 and name HA )) 2.300 0.700 0.700 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.98842E-02 ppm1 1.148 ppm2 4.461 CV 1 ASSI { 2462} ( segid " " and resid 1083 and name HG2%) (( segid " " and resid 1086 and name HB2 )) 3.200 3.200 2.800 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.24194E-02 ppm1 1.148 ppm2 1.840 CV 1 ASSI { 2463} (( segid " " and resid 1082 and name HB2 )) (( segid " " and resid 1082 and name HB3 )) 2.300 0.700 0.700 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.28153E-02 ppm1 1.730 ppm2 2.188 CV 1 ASSI { 2464} (( segid " " and resid 1081 and name HA2 )) (( segid " " and resid 1081 and name H )) 3.500 1.500 1.500 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.82945E-03 ppm1 4.123 ppm2 8.708 CV 1 ASSI { 2466} (( segid " " and resid 1081 and name HA2 )) (( segid " " and resid 1082 and name H )) 3.800 1.800 1.800 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.63670E-03 ppm1 4.122 ppm2 7.598 CV 1 ASSI { 2468} (( segid " " and resid 1081 and name HA3 )) (( segid " " and resid 1081 and name HA2 )) 2.100 0.500 0.500 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.77640E-02 ppm1 3.600 ppm2 4.133 CV 1 ASSI { 2471} (( segid " " and resid 1080 and name HA )) (( segid " " and resid 1082 and name H )) 3.600 1.600 1.600 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.94989E-03 ppm1 4.183 ppm2 7.604 CV 1 ASSI { 2472} (( segid " " and resid 1079 and name HB3 )) ( segid " " and resid 1079 and name HD2%) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.23506E-02 ppm1 1.383 ppm2 0.783 CV 1 OR { 2472} (( segid " " and resid 1079 and name HB3 )) ( segid " " and resid 1079 and name HD1%) ASSI { 2473} (( segid " " and resid 1079 and name HB2 )) ( segid " " and resid 1079 and name HD2%) 2.900 1.100 1.100 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.19962E-02 ppm1 1.312 ppm2 0.782 CV 1 OR { 2473} (( segid " " and resid 1079 and name HB2 )) ( segid " " and resid 1079 and name HD1%) ASSI { 2476} (( segid " " and resid 1078 and name HB2 )) (( segid " " and resid 1078 and name HG3 )) 2.900 1.000 1.000 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.37582E-02 ppm1 2.102 ppm2 2.010 CV 1 ASSI { 2477} (( segid " " and resid 1078 and name HB2 )) (( segid " " and resid 1078 and name HB3 )) 2.100 0.500 0.500 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.56133E-02 ppm1 2.121 ppm2 1.956 CV 1 ASSI { 2478} (( segid " " and resid 1077 and name HA )) (( segid " " and resid 1077 and name H )) 2.900 1.100 1.100 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.16967E-02 ppm1 4.844 ppm2 8.473 CV 1 ASSI { 2479} (( segid " " and resid 1077 and name HB3 )) (( segid " " and resid 1077 and name H )) 3.500 1.500 1.500 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.18998E-02 ppm1 1.579 ppm2 8.466 CV 1 ASSI { 2481} (( segid " " and resid 1077 and name HG2 )) (( segid " " and resid 1077 and name H )) 3.000 1.100 1.100 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 1.381 ppm2 8.465 CV 1 ASSI { 2483} (( segid " " and resid 1077 and name HB3 )) (( segid " " and resid 1077 and name HA )) 2.800 1.000 1.000 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.15659E-02 ppm1 1.576 ppm2 4.841 CV 1 ASSI { 2485} (( segid " " and resid 1077 and name HG2 )) (( segid " " and resid 1077 and name HA )) 3.100 1.200 1.200 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.15487E-02 ppm1 1.378 ppm2 4.845 CV 1 ASSI { 2486} (( segid " " and resid 1077 and name HG3 )) (( segid " " and resid 1077 and name HA )) 3.200 1.200 1.200 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 1.278 ppm2 4.843 CV 1 ASSI { 2487} (( segid " " and resid 1077 and name HD2 )) (( segid " " and resid 1077 and name HA )) 2.700 0.900 0.900 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 1.621 ppm2 4.846 CV 1 ASSI { 2489} (( segid " " and resid 1077 and name HD2 )) (( segid " " and resid 1078 and name HD3 )) 3.800 1.800 1.800 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 1.622 ppm2 3.712 CV 1 ASSI { 2490} (( segid " " and resid 1091 and name HG )) (( segid " " and resid 1088 and name HA )) 3.700 1.700 1.700 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 1.567 ppm2 3.705 CV 1 ASSI { 2491} (( segid " " and resid 1077 and name HG2 )) (( segid " " and resid 1077 and name HE3 )) 3.300 1.300 1.300 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.13353E-02 ppm1 1.381 ppm2 2.903 CV 1 OR { 2491} (( segid " " and resid 1077 and name HG2 )) (( segid " " and resid 1077 and name HE2 )) ASSI { 2492} (( segid " " and resid 1077 and name HG3 )) (( segid " " and resid 1077 and name HE3 )) 3.200 1.300 1.300 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.12906E-02 ppm1 1.282 ppm2 2.882 CV 1 OR { 2492} (( segid " " and resid 1077 and name HG3 )) (( segid " " and resid 1077 and name HE2 )) ASSI { 2493} (( segid " " and resid 1077 and name HG3 )) (( segid " " and resid 1077 and name HB2 )) 2.800 1.000 1.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 1.280 ppm2 1.754 CV 1 ASSI { 2494} (( segid " " and resid 1077 and name HG3 )) (( segid " " and resid 1077 and name HD3 )) 2.400 0.700 0.700 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.57854E-02 ppm1 1.280 ppm2 1.579 CV 1 OR { 2494} (( segid " " and resid 1077 and name HG3 )) (( segid " " and resid 1077 and name HB3 )) ASSI { 2495} (( segid " " and resid 1077 and name HG3 )) (( segid " " and resid 1077 and name HG2 )) 1.700 0.400 0.500 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.14262E-01 ppm1 1.280 ppm2 1.379 CV 1 ASSI { 2496} (( segid " " and resid 1077 and name HG2 )) (( segid " " and resid 1077 and name HB2 )) 2.600 0.800 0.800 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.33143E-02 ppm1 1.380 ppm2 1.755 CV 1 ASSI { 2497} (( segid " " and resid 1077 and name HG2 )) (( segid " " and resid 1077 and name HB3 )) 2.300 0.700 0.700 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.75509E-02 ppm1 1.380 ppm2 1.578 CV 1 OR { 2497} (( segid " " and resid 1077 and name HG2 )) (( segid " " and resid 1077 and name HD3 )) ASSI { 2498} (( segid " " and resid 1077 and name HB2 )) (( segid " " and resid 1077 and name HB3 )) 1.900 0.500 0.500 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.83531E-02 ppm1 1.753 ppm2 1.580 CV 1 ASSI { 2501} (( segid " " and resid 1077 and name HB3 )) (( segid " " and resid 1077 and name HG2 )) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.25193E-02 ppm1 1.579 ppm2 1.380 CV 1 ASSI { 2502} (( segid " " and resid 1077 and name HB3 )) (( segid " " and resid 1077 and name HG3 )) 2.800 1.000 1.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.19755E-02 ppm1 1.581 ppm2 1.284 CV 1 ASSI { 2505} (( segid " " and resid 1077 and name HA )) ( segid " " and resid 1140 and name HB% ) 3.400 1.400 1.400 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 4.851 ppm2 1.156 CV 1 ASSI { 2507} (( segid " " and resid 1077 and name HA )) (( segid " " and resid 1077 and name HD3 )) 2.500 0.800 0.800 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.36757E-02 ppm1 4.845 ppm2 1.581 CV 1 OR { 2507} (( segid " " and resid 1077 and name HA )) (( segid " " and resid 1077 and name HB3 )) ASSI { 2508} (( segid " " and resid 1077 and name HA )) (( segid " " and resid 1077 and name HB2 )) 2.700 0.900 0.900 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.36137E-02 ppm1 4.846 ppm2 1.757 CV 1 ASSI { 2509} (( segid " " and resid 1075 and name HE3 )) (( segid " " and resid 1075 and name HG3 )) 2.400 0.700 0.700 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.64876E-02 ppm1 2.912 ppm2 1.305 CV 1 OR { 2509} (( segid " " and resid 1075 and name HE2 )) (( segid " " and resid 1075 and name HG3 )) ASSI { 2510} (( segid " " and resid 1075 and name HE3 )) (( segid " " and resid 1075 and name HG2 )) 2.700 0.900 0.900 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.54929E-02 ppm1 2.915 ppm2 1.218 CV 1 OR { 2510} (( segid " " and resid 1075 and name HE2 )) (( segid " " and resid 1075 and name HG2 )) ASSI { 2511} (( segid " " and resid 1076 and name HA )) (( segid " " and resid 1076 and name HB2 )) 2.400 0.700 0.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.57131E-02 ppm1 4.269 ppm2 0.889 CV 1 OR { 2511} (( segid " " and resid 1076 and name HA )) ( segid " " and resid 1076 and name HD2%) ASSI { 2512} (( segid " " and resid 1076 and name HB2 )) ( segid " " and resid 1076 and name HD1%) 3.100 1.200 1.200 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 0.885 ppm2 0.742 CV 1 ASSI { 2514} ( segid " " and resid 1076 and name HD1%) ( segid " " and resid 1076 and name HD2%) 2.100 0.500 0.500 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.14668E-01 ppm1 0.737 ppm2 0.882 CV 1 OR { 2514} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1076 and name HB2 )) ASSI { 2515} (( segid " " and resid 1076 and name HG )) ( segid " " and resid 1076 and name HD2%) 2.600 0.800 0.800 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.34107E-02 ppm1 1.192 ppm2 0.888 CV 1 OR { 2515} (( segid " " and resid 1076 and name HG )) (( segid " " and resid 1076 and name HB2 )) ASSI { 2516} (( segid " " and resid 1076 and name HG )) ( segid " " and resid 1076 and name HD1%) 2.800 1.000 1.000 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.22233E-02 ppm1 1.192 ppm2 0.739 CV 1 ASSI { 2517} (( segid " " and resid 1076 and name HB2 )) (( segid " " and resid 1076 and name HB3 )) 2.300 0.700 0.700 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.24194E-02 ppm1 0.878 ppm2 1.855 CV 1 ASSI { 2518} (( segid " " and resid 1076 and name HB3 )) (( segid " " and resid 1076 and name HG )) 3.100 1.200 1.200 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 1.853 ppm2 1.193 CV 1 ASSI { 2519} (( segid " " and resid 1076 and name HB2 )) ( segid " " and resid 1070 and name HB% ) 3.500 1.500 1.500 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 0.883 ppm2 1.286 CV 1 ASSI { 2520} (( segid " " and resid 1076 and name HB2 )) (( segid " " and resid 1076 and name HG )) 3.000 1.100 1.100 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.11942E-02 ppm1 0.878 ppm2 1.199 CV 1 ASSI { 2522} (( segid " " and resid 1076 and name HA )) (( segid " " and resid 1076 and name HG )) 3.100 1.200 1.200 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 4.266 ppm2 1.192 CV 1 ASSI { 2523} ( segid " " and resid 1076 and name HD1%) ( segid " " and resid 1071 and name HB% ) 2.300 0.600 0.600 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.98912E-02 ppm1 0.737 ppm2 1.269 CV 1 ASSI { 2525} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1076 and name HB3 )) 2.600 0.800 0.800 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.54859E-02 ppm1 0.737 ppm2 1.855 CV 1 ASSI { 2526} (( segid " " and resid 1076 and name HB2 )) (( segid " " and resid 1076 and name HA )) 3.200 1.300 1.300 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.97396E-03 ppm1 0.881 ppm2 4.270 CV 1 ASSI { 2529} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1076 and name HA )) 3.400 1.400 1.400 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.21338E-02 ppm1 0.736 ppm2 4.267 CV 1 ASSI { 2530} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1071 and name HA )) 2.900 1.100 1.100 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.27120E-02 ppm1 0.737 ppm2 4.017 CV 1 ASSI { 2531} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1140 and name HA )) 2.400 0.700 0.700 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.58886E-02 ppm1 0.737 ppm2 3.761 CV 1 ASSI { 2532} ( segid " " and resid 1076 and name HD2%) (( segid " " and resid 1071 and name HA )) 3.400 1.400 1.400 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 0.889 ppm2 4.014 CV 1 ASSI { 2533} ( segid " " and resid 1203 and name HD2%) (( segid " " and resid 1088 and name HA )) 2.800 1.000 1.000 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.32386E-02 ppm1 0.888 ppm2 3.735 CV 1 ASSI { 2534} ( segid " " and resid 1076 and name HD2%) (( segid " " and resid 1076 and name HA )) 2.300 0.600 0.600 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.89931E-02 ppm1 0.888 ppm2 4.268 CV 1 ASSI { 2535} ( segid " " and resid 1076 and name HD2%) (( segid " " and resid 1136 and name HA )) 3.300 1.300 1.300 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 0.887 ppm2 3.565 CV 1 ASSI { 2536} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1136 and name HA )) 3.400 1.400 1.400 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 0.735 ppm2 3.570 CV 1 ASSI { 2538} (( segid " " and resid 1076 and name HG )) (( segid " " and resid 1071 and name HA )) 3.700 1.700 1.700 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.46462E-03 ppm1 1.190 ppm2 4.009 CV 1 ASSI { 2539} (( segid " " and resid 1076 and name HG )) (( segid " " and resid 1140 and name HA )) 3.600 1.600 1.600 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 1.188 ppm2 3.758 CV 1 ASSI { 2540} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1076 and name H )) 3.500 1.600 1.600 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.20856E-02 ppm1 0.737 ppm2 7.831 CV 1 ASSI { 2541} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1141 and name H )) 4.300 2.300 1.700 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 0.735 ppm2 7.371 CV 1 ASSI { 2544} ( segid " " and resid 1076 and name HD2%) (( segid " " and resid 1076 and name H )) 3.400 1.500 1.500 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.24194E-02 ppm1 0.889 ppm2 7.830 CV 1 ASSI { 2545} (( segid " " and resid 1076 and name HG )) (( segid " " and resid 1076 and name H )) 3.800 1.800 1.800 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.51280E-03 ppm1 1.191 ppm2 7.832 CV 1 ASSI { 2546} (( segid " " and resid 1076 and name HA )) (( segid " " and resid 1077 and name H )) 2.400 0.700 0.700 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.51384E-02 ppm1 4.269 ppm2 8.466 CV 1 ASSI { 2547} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1140 and name H )) 2.800 1.000 1.000 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.32248E-02 ppm1 0.736 ppm2 8.588 CV 1 ASSI { 2548} ( segid " " and resid 1076 and name HD1%) (( segid " " and resid 1077 and name H )) 3.600 1.600 1.600 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.11874E-02 ppm1 0.736 ppm2 8.454 CV 1 ASSI { 2549} ( segid " " and resid 1076 and name HD2%) (( segid " " and resid 1140 and name H )) 3.200 1.300 1.300 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.15866E-02 ppm1 0.889 ppm2 8.593 CV 1 ASSI { 2550} ( segid " " and resid 1076 and name HD2%) (( segid " " and resid 1077 and name H )) 2.500 0.800 0.800 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.62674E-02 ppm1 0.888 ppm2 8.467 CV 1 ASSI { 2552} (( segid " " and resid 1076 and name HG )) (( segid " " and resid 1077 and name H )) 4.100 2.100 1.900 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.54722E-03 ppm1 1.187 ppm2 8.469 CV 1 ASSI { 2554} (( segid " " and resid 1075 and name HA )) (( segid " " and resid 1075 and name H )) 2.700 0.900 0.900 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.29736E-02 ppm1 4.357 ppm2 8.277 CV 1 ASSI { 2558} (( segid " " and resid 1075 and name HB3 )) (( segid " " and resid 1076 and name H )) 3.800 1.800 1.800 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.78811E-03 ppm1 2.027 ppm2 7.827 CV 1 ASSI { 2559} (( segid " " and resid 1075 and name HG3 )) (( segid " " and resid 1075 and name H )) 3.800 1.800 1.800 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 1.308 ppm2 8.277 CV 1 ASSI { 2560} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1075 and name H )) 2.800 1.000 1.000 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 1.214 ppm2 8.276 CV 1 ASSI { 2564} (( segid " " and resid 1075 and name HB2 )) (( segid " " and resid 1070 and name HA )) 3.100 1.200 1.200 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.13078E-02 ppm1 1.479 ppm2 4.007 CV 1 ASSI { 2565} (( segid " " and resid 1075 and name HA )) (( segid " " and resid 1074 and name HA2 )) 3.500 1.500 1.500 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 4.354 ppm2 4.012 CV 1 OR { 2565} (( segid " " and resid 1075 and name HA )) (( segid " " and resid 1074 and name HA3 )) ASSI { 2567} (( segid " " and resid 1075 and name HB3 )) (( segid " " and resid 1070 and name HA )) 4.200 2.200 1.800 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 2.027 ppm2 4.007 CV 1 ASSI { 2569} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1075 and name HA )) 2.800 0.900 0.900 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.28772E-02 ppm1 1.213 ppm2 4.358 CV 1 ASSI { 2571} (( segid " " and resid 1075 and name HE3 )) (( segid " " and resid 1075 and name HA )) 3.200 1.300 1.300 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.33797E-02 ppm1 2.914 ppm2 4.354 CV 1 OR { 2571} (( segid " " and resid 1075 and name HE2 )) (( segid " " and resid 1075 and name HA )) ASSI { 2573} (( segid " " and resid 1075 and name HB3 )) (( segid " " and resid 1075 and name HE3 )) 3.800 1.800 1.800 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.64361E-03 ppm1 2.028 ppm2 2.912 CV 1 OR { 2573} (( segid " " and resid 1075 and name HB3 )) (( segid " " and resid 1075 and name HE2 )) ASSI { 2576} (( segid " " and resid 1075 and name HG3 )) (( segid " " and resid 1073 and name HB3 )) 3.500 1.600 1.600 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 1.311 ppm2 2.769 CV 1 ASSI { 2577} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1073 and name HB3 )) 3.100 1.200 1.200 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.89480E-03 ppm1 1.220 ppm2 2.775 CV 1 ASSI { 2578} (( segid " " and resid 1075 and name HG3 )) (( segid " " and resid 1073 and name HB2 )) 3.800 1.800 1.800 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 1.309 ppm2 2.503 CV 1 ASSI { 2579} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1073 and name HB2 )) 3.400 1.500 1.500 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.83630E-03 ppm1 1.212 ppm2 2.502 CV 1 ASSI { 2580} (( segid " " and resid 1075 and name HD3 )) (( segid " " and resid 1073 and name HB2 )) 2.900 2.900 3.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.90861E-03 ppm1 1.583 ppm2 2.507 CV 1 OR { 2580} (( segid " " and resid 1075 and name HD2 )) (( segid " " and resid 1073 and name HB2 )) ASSI { 2581} (( segid " " and resid 1075 and name HA )) (( segid " " and resid 1075 and name HB3 )) 2.400 0.700 0.700 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.44225E-02 ppm1 4.356 ppm2 2.027 CV 1 ASSI { 2582} (( segid " " and resid 1075 and name HB2 )) (( segid " " and resid 1075 and name HB3 )) 2.000 0.500 0.500 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.57888E-02 ppm1 1.475 ppm2 2.027 CV 1 ASSI { 2583} (( segid " " and resid 1075 and name HG3 )) (( segid " " and resid 1075 and name HB3 )) 2.700 0.900 0.900 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.27154E-02 ppm1 1.307 ppm2 2.024 CV 1 ASSI { 2584} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1075 and name HB3 )) 3.100 1.200 1.200 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.27258E-02 ppm1 1.215 ppm2 2.028 CV 1 ASSI { 2586} (( segid " " and resid 1075 and name HA )) (( segid " " and resid 1075 and name HB2 )) 2.900 1.000 1.000 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.34210E-02 ppm1 4.355 ppm2 1.480 CV 1 ASSI { 2587} (( segid " " and resid 1075 and name HA )) (( segid " " and resid 1075 and name HG3 )) 3.300 1.400 1.400 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.27774E-02 ppm1 4.356 ppm2 1.305 CV 1 ASSI { 2591} (( segid " " and resid 1075 and name HB2 )) (( segid " " and resid 1075 and name HD2 )) 3.700 1.700 1.700 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 1.477 ppm2 1.588 CV 1 OR { 2591} (( segid " " and resid 1075 and name HB2 )) (( segid " " and resid 1075 and name HD3 )) ASSI { 2592} (( segid " " and resid 1075 and name HB3 )) (( segid " " and resid 1075 and name HD2 )) 2.700 0.900 0.900 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.19790E-02 ppm1 2.025 ppm2 1.581 CV 1 ASSI { 2597} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1075 and name HB2 )) 2.600 0.900 0.900 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.25881E-02 ppm1 1.215 ppm2 1.480 CV 1 ASSI { 2598} (( segid " " and resid 1075 and name HG2 )) (( segid " " and resid 1075 and name HG3 )) 1.800 0.400 0.400 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.11299E-01 ppm1 1.214 ppm2 1.307 CV 1 ASSI { 2600} (( segid " " and resid 1075 and name HD3 )) (( segid " " and resid 1075 and name HG2 )) 2.500 0.800 0.800 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.35346E-02 ppm1 1.577 ppm2 1.217 CV 1 OR { 2600} (( segid " " and resid 1075 and name HD2 )) (( segid " " and resid 1075 and name HG2 )) ASSI { 2602} (( segid " " and resid 1074 and name HA2 )) (( segid " " and resid 1075 and name H )) 3.000 1.100 1.100 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.18481E-02 ppm1 3.989 ppm2 8.279 CV 1 OR { 2602} (( segid " " and resid 1074 and name HA3 )) (( segid " " and resid 1075 and name H )) ASSI { 2604} (( segid " " and resid 1073 and name HB2 )) (( segid " " and resid 1075 and name H )) 3.900 1.900 1.900 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.70895E-03 ppm1 2.499 ppm2 8.274 CV 1 ASSI { 2605} (( segid " " and resid 1073 and name HB2 )) (( segid " " and resid 1072 and name H )) 4.100 2.100 1.900 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 2.503 ppm2 7.925 CV 1 ASSI { 2606} (( segid " " and resid 1073 and name HB2 )) (( segid " " and resid 1074 and name H )) 3.400 1.400 1.400 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 2.499 ppm2 7.825 CV 1 ASSI { 2609} (( segid " " and resid 1073 and name HB3 )) (( segid " " and resid 1073 and name HA )) 2.700 0.900 0.900 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.38856E-02 ppm1 2.775 ppm2 4.719 CV 1 ASSI { 2610} (( segid " " and resid 1073 and name HB2 )) (( segid " " and resid 1073 and name HA )) 2.800 1.000 1.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.28531E-02 ppm1 2.501 ppm2 4.720 CV 1 ASSI { 2611} (( segid " " and resid 1073 and name HB2 )) (( segid " " and resid 1070 and name HA )) 2.800 1.000 1.000 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 2.502 ppm2 4.008 CV 1 ASSI { 2612} (( segid " " and resid 1073 and name HB3 )) (( segid " " and resid 1073 and name HB2 )) 1.900 0.500 0.500 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.11151E-01 ppm1 2.774 ppm2 2.504 CV 1 ASSI { 2618} (( segid " " and resid 1072 and name HG3 )) (( segid " " and resid 1072 and name HG2 )) 1.900 0.400 0.400 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.90481E-02 ppm1 1.768 ppm2 1.563 CV 1 ASSI { 2619} (( segid " " and resid 1072 and name HA )) (( segid " " and resid 1072 and name HD3 )) 3.500 1.500 1.500 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 4.013 ppm2 3.149 CV 1 OR { 2619} (( segid " " and resid 1072 and name HA )) (( segid " " and resid 1072 and name HD2 )) ASSI { 2620} (( segid " " and resid 1072 and name HG3 )) (( segid " " and resid 1072 and name HD2 )) 2.300 0.600 0.600 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.90996E-02 ppm1 1.766 ppm2 3.154 CV 1 OR { 2620} (( segid " " and resid 1072 and name HG3 )) (( segid " " and resid 1072 and name HD3 )) ASSI { 2621} (( segid " " and resid 1072 and name HG2 )) (( segid " " and resid 1072 and name HD2 )) 2.300 0.700 0.700 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.67212E-02 ppm1 1.561 ppm2 3.152 CV 1 OR { 2621} (( segid " " and resid 1072 and name HG2 )) (( segid " " and resid 1072 and name HD3 )) ASSI { 2622} (( segid " " and resid 1072 and name HG3 )) (( segid " " and resid 1072 and name HA )) 3.000 1.100 1.100 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.44156E-02 ppm1 1.765 ppm2 4.011 CV 1 ASSI { 2623} (( segid " " and resid 1072 and name HG2 )) (( segid " " and resid 1072 and name HA )) 2.700 0.900 0.900 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.28634E-02 ppm1 1.561 ppm2 4.011 CV 1 ASSI { 2625} (( segid " " and resid 1072 and name HB2 )) (( segid " " and resid 1072 and name HA )) 2.300 0.700 0.700 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.60777E-02 ppm1 1.961 ppm2 4.014 CV 1 ASSI { 2626} (( segid " " and resid 1072 and name HB3 )) (( segid " " and resid 1072 and name HA )) 2.800 1.000 1.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.50488E-02 ppm1 1.894 ppm2 4.012 CV 1 ASSI { 2627} (( segid " " and resid 1072 and name HA )) (( segid " " and resid 1073 and name HA )) 3.500 1.600 1.600 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 4.011 ppm2 4.720 CV 1 ASSI { 2628} (( segid " " and resid 1072 and name HB2 )) (( segid " " and resid 1073 and name HA )) 4.000 2.000 2.000 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 1.960 ppm2 4.712 CV 1 ASSI { 2629} (( segid " " and resid 1072 and name HD3 )) (( segid " " and resid 1073 and name HA )) 2.500 0.800 0.800 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.56202E-02 ppm1 3.150 ppm2 4.709 CV 1 OR { 2629} (( segid " " and resid 1072 and name HD2 )) (( segid " " and resid 1073 and name HA )) ASSI { 2630} (( segid " " and resid 1072 and name HG3 )) (( segid " " and resid 1073 and name HA )) 3.900 1.900 1.900 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.68834E-03 ppm1 1.764 ppm2 4.714 CV 1 ASSI { 2631} (( segid " " and resid 1072 and name HG2 )) (( segid " " and resid 1073 and name HA )) 3.700 1.700 1.700 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.83285E-03 ppm1 1.560 ppm2 4.715 CV 1 ASSI { 2632} (( segid " " and resid 1072 and name HB2 )) (( segid " " and resid 1073 and name H )) 3.600 1.600 1.600 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.22749E-02 ppm1 1.956 ppm2 7.518 CV 1 ASSI { 2633} (( segid " " and resid 1072 and name HB3 )) (( segid " " and resid 1072 and name H )) 2.400 0.700 0.700 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.45223E-02 ppm1 1.895 ppm2 7.919 CV 1 ASSI { 2634} (( segid " " and resid 1072 and name HB2 )) (( segid " " and resid 1072 and name H )) 2.500 0.800 0.800 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.54963E-02 ppm1 1.958 ppm2 7.915 CV 1 ASSI { 2635} (( segid " " and resid 1072 and name HD3 )) (( segid " " and resid 1072 and name H )) 3.600 1.600 1.600 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 3.153 ppm2 7.919 CV 1 OR { 2635} (( segid " " and resid 1072 and name HD2 )) (( segid " " and resid 1072 and name H )) ASSI { 2636} (( segid " " and resid 1072 and name HG3 )) (( segid " " and resid 1072 and name H )) 3.400 1.400 1.400 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.35242E-02 ppm1 1.766 ppm2 7.920 CV 1 ASSI { 2637} (( segid " " and resid 1072 and name HG2 )) (( segid " " and resid 1072 and name H )) 4.000 2.000 2.000 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 1.560 ppm2 7.918 CV 1 ASSI { 2641} (( segid " " and resid 1071 and name HA )) (( segid " " and resid 1075 and name H )) 3.100 1.200 1.200 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 4.014 ppm2 8.275 CV 1 ASSI { 2643} ( segid " " and resid 1071 and name HB% ) (( segid " " and resid 1071 and name H )) 2.200 0.600 0.600 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.10786E-01 ppm1 1.263 ppm2 8.599 CV 1 ASSI { 2645} ( segid " " and resid 1071 and name HB% ) (( segid " " and resid 1072 and name H )) 2.400 0.700 0.700 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.71071E-02 ppm1 1.263 ppm2 7.920 CV 1 ASSI { 2647} ( segid " " and resid 1071 and name HB% ) (( segid " " and resid 1068 and name HA )) 2.400 0.700 0.700 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.60537E-02 ppm1 1.263 ppm2 3.767 CV 1 ASSI { 2648} (( segid " " and resid 1071 and name HA )) (( segid " " and resid 1076 and name HB3 )) 3.500 1.600 1.600 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.22130E-02 ppm1 4.015 ppm2 1.855 CV 1 ASSI { 2649} (( segid " " and resid 1071 and name HA )) ( segid " " and resid 1071 and name HB% ) 2.400 0.700 0.700 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.63500E-02 ppm1 4.015 ppm2 1.268 CV 1 ASSI { 2650} (( segid " " and resid 1071 and name HA )) (( segid " " and resid 1076 and name HB2 )) 2.700 0.900 0.900 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.29770E-02 ppm1 4.016 ppm2 0.887 CV 1 OR { 2650} (( segid " " and resid 1071 and name HA )) ( segid " " and resid 1076 and name HD2%) ASSI { 2655} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1073 and name HB3 )) 4.000 2.000 2.000 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.96365E-03 ppm1 1.312 ppm2 2.781 CV 1 ASSI { 2656} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1073 and name HB2 )) 3.600 1.600 1.600 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.14868E-02 ppm1 1.312 ppm2 2.505 CV 1 ASSI { 2657} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1076 and name HA )) 2.800 0.900 0.900 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.27774E-02 ppm1 1.311 ppm2 4.274 CV 1 ASSI { 2658} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1070 and name HA )) 2.000 0.500 0.500 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.17019E-01 ppm1 1.312 ppm2 4.009 CV 1 ASSI { 2659} (( segid " " and resid 1070 and name HA )) (( segid " " and resid 1070 and name H )) 2.600 0.800 0.800 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.44397E-02 ppm1 4.007 ppm2 7.931 CV 1 ASSI { 2660} (( segid " " and resid 1070 and name HA )) (( segid " " and resid 1073 and name H )) 3.000 1.100 1.100 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.17518E-02 ppm1 4.009 ppm2 7.525 CV 1 ASSI { 2661} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1075 and name H )) 3.000 1.100 1.100 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.28393E-02 ppm1 1.312 ppm2 8.280 CV 1 ASSI { 2662} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1070 and name H )) 2.100 0.500 0.500 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.13533E-01 ppm1 1.312 ppm2 7.931 CV 1 ASSI { 2663} ( segid " " and resid 1070 and name HB% ) (( segid " " and resid 1076 and name H )) 2.900 1.000 1.000 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.26225E-02 ppm1 1.310 ppm2 7.829 CV 1 ASSI { 2665} (( segid " " and resid 1068 and name HA )) ( segid " " and resid 1067 and name HG2%) 3.400 1.400 1.400 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.90171E-03 ppm1 3.771 ppm2 0.860 CV 1 ASSI { 2666} (( segid " " and resid 1068 and name HB2 )) ( segid " " and resid 1067 and name HG2%) 4.100 2.100 1.900 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.65391E-03 ppm1 1.827 ppm2 0.856 CV 1 OR { 2666} (( segid " " and resid 1068 and name HB3 )) ( segid " " and resid 1067 and name HG2%) ASSI { 2667} (( segid " " and resid 1068 and name HB3 )) (( segid " " and resid 1068 and name HE3 )) 4.400 2.400 1.600 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.51280E-03 ppm1 1.814 ppm2 2.795 CV 1 OR { 2667} (( segid " " and resid 1068 and name HB2 )) (( segid " " and resid 1068 and name HE3 )) ASSI { 2668} (( segid " " and resid 1068 and name HB3 )) (( segid " " and resid 1068 and name HE2 )) 4.300 2.300 1.700 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.49559E-03 ppm1 1.818 ppm2 2.719 CV 1 OR { 2668} (( segid " " and resid 1068 and name HB2 )) (( segid " " and resid 1068 and name HE2 )) ASSI { 2669} (( segid " " and resid 1067 and name HG13)) (( segid " " and resid 1067 and name H )) 2.700 0.900 0.900 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.13181E-02 ppm1 1.141 ppm2 8.291 CV 1 ASSI { 2672} (( segid " " and resid 1067 and name HA )) (( segid " " and resid 1071 and name H )) 3.600 1.600 1.600 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.72962E-03 ppm1 3.711 ppm2 8.610 CV 1 ASSI { 2673} (( segid " " and resid 1067 and name HA )) (( segid " " and resid 1068 and name H )) 3.400 1.400 1.400 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.89480E-03 ppm1 3.711 ppm2 8.487 CV 1 ASSI { 2674} (( segid " " and resid 1067 and name HA )) (( segid " " and resid 1067 and name H )) 2.800 1.000 1.000 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.22887E-02 ppm1 3.713 ppm2 8.290 CV 1 ASSI { 2675} (( segid " " and resid 1067 and name HA )) (( segid " " and resid 1070 and name H )) 3.100 1.200 1.200 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.13078E-02 ppm1 3.711 ppm2 7.931 CV 1 ASSI { 2676} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1071 and name H )) 3.300 1.300 1.300 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.11082E-02 ppm1 0.861 ppm2 8.594 CV 1 ASSI { 2677} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1068 and name H )) 3.100 1.200 1.200 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.23541E-02 ppm1 0.862 ppm2 8.486 CV 1 ASSI { 2678} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1067 and name H )) 3.400 1.400 1.400 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 0.860 ppm2 8.289 CV 1 ASSI { 2680} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1137 and name H )) 4.000 2.000 2.000 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.76405E-03 ppm1 0.864 ppm2 7.667 CV 1 ASSI { 2683} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1064 and name HA )) 2.300 0.700 0.700 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.66111E-02 ppm1 0.725 ppm2 4.028 CV 1 ASSI { 2684} (( segid " " and resid 1067 and name HG13)) (( segid " " and resid 1064 and name HA )) 3.600 1.600 1.600 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.64700E-03 ppm1 1.134 ppm2 4.027 CV 1 ASSI { 2686} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1064 and name HA )) 3.200 1.300 1.300 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.37789E-02 ppm1 0.861 ppm2 4.018 CV 1 ASSI { 2687} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1067 and name HA )) 2.400 0.700 0.700 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.59401E-02 ppm1 0.861 ppm2 3.717 CV 1 ASSI { 2688} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1136 and name HA )) 2.900 1.100 1.100 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.26604E-02 ppm1 0.860 ppm2 3.566 CV 1 ASSI { 2690} (( segid " " and resid 1067 and name HA )) (( segid " " and resid 1067 and name HB )) 3.000 1.200 1.200 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.16588E-02 ppm1 3.712 ppm2 2.019 CV 1 ASSI { 2691} (( segid " " and resid 1067 and name HA )) (( segid " " and resid 1066 and name HB2 )) 3.700 1.700 1.700 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.69180E-03 ppm1 3.711 ppm2 2.204 CV 1 ASSI { 2693} (( segid " " and resid 1067 and name HB )) (( segid " " and resid 1067 and name HG12)) 3.400 1.500 1.500 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 2.019 ppm2 1.671 CV 1 ASSI { 2694} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1067 and name HB )) 2.400 0.700 0.700 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.64185E-02 ppm1 0.725 ppm2 2.014 CV 1 ASSI { 2696} (( segid " " and resid 1067 and name HG13)) (( segid " " and resid 1067 and name HB )) 3.000 1.100 1.100 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 1.146 ppm2 2.021 CV 1 ASSI { 2697} (( segid " " and resid 1067 and name HG13)) (( segid " " and resid 1067 and name HG12)) 2.100 0.600 0.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.38581E-02 ppm1 1.140 ppm2 1.669 CV 1 ASSI { 2698} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1063 and name HB2 )) 3.300 1.400 1.400 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.21441E-02 ppm1 0.725 ppm2 2.529 CV 1 ASSI { 2699} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1136 and name HD3 )) 2.800 1.000 1.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.23369E-02 ppm1 0.725 ppm2 3.119 CV 1 ASSI { 2700} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1136 and name HD2 )) 2.900 1.000 1.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 0.724 ppm2 3.039 CV 1 ASSI { 2701} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1063 and name HB3 )) 3.000 1.100 1.100 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 0.723 ppm2 2.908 CV 1 ASSI { 2702} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1067 and name HB )) 2.300 0.600 0.600 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.70520E-02 ppm1 0.861 ppm2 2.016 CV 1 ASSI { 2703} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1136 and name HB3 )) 2.500 0.800 0.800 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.35724E-02 ppm1 0.861 ppm2 1.842 CV 1 ASSI { 2704} ( segid " " and resid 1067 and name HG2%) (( segid " " and resid 1067 and name HG12)) 2.400 0.700 0.700 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.52760E-02 ppm1 0.861 ppm2 1.674 CV 1 ASSI { 2705} (( segid " " and resid 1067 and name HA )) ( segid " " and resid 1070 and name HB% ) 2.700 0.900 0.900 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.27808E-02 ppm1 3.712 ppm2 1.313 CV 1 ASSI { 2706} (( segid " " and resid 1067 and name HA )) (( segid " " and resid 1067 and name HG13)) 2.900 1.100 1.100 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.20444E-02 ppm1 3.712 ppm2 1.145 CV 1 ASSI { 2711} ( segid " " and resid 1067 and name HD1%) (( segid " " and resid 1067 and name HG13)) 2.200 0.600 0.600 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.87348E-02 ppm1 0.725 ppm2 1.144 CV 1 ASSI { 2712} (( segid " " and resid 1067 and name HG13)) ( segid " " and resid 1067 and name HG2%) 3.500 1.600 1.600 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.19273E-02 ppm1 1.144 ppm2 0.857 CV 1 ASSI { 2715} (( segid " " and resid 1066 and name HB2 )) (( segid " " and resid 1066 and name HG2 )) 2.800 1.000 1.000 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.41575E-02 ppm1 2.207 ppm2 2.409 CV 1 ASSI { 2718} (( segid " " and resid 1061 and name HB2 )) (( segid " " and resid 1061 and name HG2 )) 3.000 1.100 1.100 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.27705E-02 ppm1 2.201 ppm2 2.527 CV 1 ASSI { 2719} (( segid " " and resid 1061 and name HB3 )) (( segid " " and resid 1061 and name HG2 )) 2.400 0.700 0.700 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 2.103 ppm2 2.528 CV 1 ASSI { 2720} (( segid " " and resid 1066 and name HA )) (( segid " " and resid 1066 and name HB2 )) 2.700 0.900 0.900 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.60572E-02 ppm1 4.104 ppm2 2.208 CV 1 ASSI { 2723} (( segid " " and resid 1066 and name HG2 )) (( segid " " and resid 1066 and name HG3 )) 1.900 0.400 0.400 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.13178E-01 ppm1 2.414 ppm2 2.210 CV 1 ASSI { 2724} (( segid " " and resid 1066 and name HG2 )) (( segid " " and resid 1066 and name HB3 )) 2.400 0.700 0.700 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.49216E-02 ppm1 2.409 ppm2 2.117 CV 1 ASSI { 2725} (( segid " " and resid 1066 and name HB2 )) (( segid " " and resid 1063 and name HA )) 2.900 1.000 1.000 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.18723E-02 ppm1 2.207 ppm2 4.313 CV 1 ASSI { 2728} (( segid " " and resid 1066 and name HG2 )) (( segid " " and resid 1063 and name HA )) 3.500 1.500 1.500 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.20581E-02 ppm1 2.409 ppm2 4.311 CV 1 ASSI { 2729} (( segid " " and resid 1066 and name HG2 )) (( segid " " and resid 1066 and name HA )) 2.600 0.900 0.900 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.34589E-02 ppm1 2.410 ppm2 4.108 CV 1 ASSI { 2730} (( segid " " and resid 1066 and name HG3 )) (( segid " " and resid 1066 and name HA )) 2.600 0.900 0.900 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.74543E-02 ppm1 2.206 ppm2 4.105 CV 1 ASSI { 2732} (( segid " " and resid 1066 and name HA )) (( segid " " and resid 1066 and name H )) 2.700 0.900 0.900 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.30424E-02 ppm1 4.105 ppm2 7.677 CV 1 ASSI { 2734} (( segid " " and resid 1061 and name HB3 )) (( segid " " and resid 1062 and name H )) 3.500 1.500 1.500 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 2.102 ppm2 7.413 CV 1 ASSI { 2735} (( segid " " and resid 1066 and name HB3 )) (( segid " " and resid 1066 and name H )) 3.300 1.300 1.300 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.31009E-02 ppm1 2.116 ppm2 7.675 CV 1 ASSI { 2736} (( segid " " and resid 1066 and name HB2 )) (( segid " " and resid 1066 and name H )) 2.500 0.800 0.800 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.38099E-02 ppm1 2.206 ppm2 7.676 CV 1 ASSI { 2737} (( segid " " and resid 1066 and name HG2 )) (( segid " " and resid 1066 and name H )) 2.800 1.000 1.000 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.54171E-02 ppm1 2.408 ppm2 7.677 CV 1 ASSI { 2738} (( segid " " and resid 1066 and name HG3 )) (( segid " " and resid 1066 and name H )) 2.300 0.700 0.700 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.55307E-02 ppm1 2.206 ppm2 7.676 CV 1 ASSI { 2739} (( segid " " and resid 1066 and name HG2 )) (( segid " " and resid 1067 and name H )) 3.800 1.800 1.800 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 2.410 ppm2 8.289 CV 1 ASSI { 2740} (( segid " " and resid 1066 and name HB2 )) (( segid " " and resid 1067 and name H )) 2.700 0.900 0.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.20099E-02 ppm1 2.208 ppm2 8.281 CV 1 ASSI { 2742} (( segid " " and resid 1065 and name HB3 )) (( segid " " and resid 1066 and name H )) 3.600 1.600 1.600 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.14799E-02 ppm1 2.151 ppm2 7.678 CV 1 ASSI { 2744} (( segid " " and resid 1065 and name HB2 )) (( segid " " and resid 1066 and name H )) 2.800 1.000 1.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.16692E-02 ppm1 2.279 ppm2 7.676 CV 1 ASSI { 2745} (( segid " " and resid 1065 and name HG3 )) (( segid " " and resid 1065 and name H )) 2.400 0.700 0.700 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.54722E-02 ppm1 2.519 ppm2 7.852 CV 1 ASSI { 2746} (( segid " " and resid 1065 and name HG3 )) (( segid " " and resid 1066 and name H )) 3.900 1.900 1.900 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 2.521 ppm2 7.678 CV 1 OR { 2746} (( segid " " and resid 1065 and name HG2 )) (( segid " " and resid 1066 and name H )) ASSI { 2749} (( segid " " and resid 1065 and name HG2 )) (( segid " " and resid 1065 and name HA )) 2.400 0.700 0.700 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.68834E-02 ppm1 2.520 ppm2 3.971 CV 1 OR { 2749} (( segid " " and resid 1065 and name HG3 )) (( segid " " and resid 1065 and name HA )) ASSI { 2752} (( segid " " and resid 1065 and name HG3 )) (( segid " " and resid 1065 and name HB2 )) 2.400 0.700 0.700 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.58198E-02 ppm1 2.520 ppm2 2.275 CV 1 OR { 2752} (( segid " " and resid 1065 and name HG2 )) (( segid " " and resid 1065 and name HB2 )) ASSI { 2755} (( segid " " and resid 1065 and name HG3 )) (( segid " " and resid 1064 and name HB2 )) 3.500 1.500 1.500 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.65046E-03 ppm1 2.521 ppm2 1.831 CV 1 ASSI { 2756} (( segid " " and resid 1064 and name HB3 )) ( segid " " and resid 1064 and name HD2%) 2.600 0.800 0.800 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.35931E-02 ppm1 1.592 ppm2 0.815 CV 1 ASSI { 2757} (( segid " " and resid 1064 and name HB2 )) ( segid " " and resid 1064 and name HD2%) 3.100 1.200 1.200 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.33831E-02 ppm1 1.847 ppm2 0.816 CV 1 ASSI { 2758} (( segid " " and resid 1064 and name HB2 )) (( segid " " and resid 1064 and name HG )) 2.600 0.900 0.900 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.23713E-02 ppm1 1.847 ppm2 1.708 CV 1 ASSI { 2760} (( segid " " and resid 1064 and name HB3 )) (( segid " " and resid 1064 and name HB2 )) 1.900 0.400 0.400 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.87624E-02 ppm1 1.591 ppm2 1.848 CV 1 ASSI { 2761} (( segid " " and resid 1064 and name HB3 )) (( segid " " and resid 1064 and name HG )) 3.000 1.100 1.100 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 1.591 ppm2 1.710 CV 1 ASSI { 2762} ( segid " " and resid 1064 and name HD1%) ( segid " " and resid 1132 and name HB% ) 2.400 0.700 0.700 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.60572E-02 ppm1 0.837 ppm2 1.468 CV 1 ASSI { 2763} ( segid " " and resid 1064 and name HD1%) (( segid " " and resid 1159 and name HB3 )) 3.000 3.000 3.000 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.51280E-02 ppm1 0.837 ppm2 1.352 CV 1 ASSI { 2764} ( segid " " and resid 1064 and name HD1%) ( segid " " and resid 1155 and name HB% ) 2.100 0.500 0.500 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.14293E-01 ppm1 0.830 ppm2 1.269 CV 1 ASSI { 2766} ( segid " " and resid 1091 and name HD2%) (( segid " " and resid 1199 and name HB2 )) 2.900 1.100 1.100 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.45533E-02 ppm1 0.822 ppm2 2.799 CV 1 ASSI { 2767} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1063 and name HB2 )) 3.000 1.100 1.100 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.23782E-02 ppm1 0.806 ppm2 2.532 CV 1 ASSI { 2768} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1063 and name HB3 )) 3.300 1.300 1.300 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.15384E-02 ppm1 0.805 ppm2 2.906 CV 1 ASSI { 2769} (( segid " " and resid 1064 and name HB3 )) (( segid " " and resid 1064 and name HA )) 2.600 0.800 0.800 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.25537E-02 ppm1 1.592 ppm2 4.025 CV 1 ASSI { 2770} (( segid " " and resid 1064 and name HB3 )) (( segid " " and resid 1061 and name HA )) 4.000 2.000 2.000 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 1.588 ppm2 3.840 CV 1 ASSI { 2772} (( segid " " and resid 1064 and name HB2 )) (( segid " " and resid 1061 and name HA )) 2.800 1.000 1.000 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.17139E-02 ppm1 1.850 ppm2 3.840 CV 1 ASSI { 2773} ( segid " " and resid 1091 and name HD2%) (( segid " " and resid 1095 and name HB )) 3.100 3.100 2.900 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.35139E-02 ppm1 0.824 ppm2 4.155 CV 1 ASSI { 2774} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1064 and name HA )) 2.100 0.500 0.500 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.11220E-01 ppm1 0.803 ppm2 4.024 CV 1 ASSI { 2775} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1061 and name HA )) 3.500 1.500 1.500 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 0.803 ppm2 3.849 CV 1 ASSI { 2776} ( segid " " and resid 1064 and name HD2%) (( segid " " and resid 1132 and name HA )) 2.800 1.000 1.000 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.47666E-02 ppm1 0.803 ppm2 3.731 CV 1 ASSI { 2777} (( segid " " and resid 1064 and name HA )) (( segid " " and resid 1065 and name H )) 3.500 1.500 1.500 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.68143E-03 ppm1 4.026 ppm2 7.851 CV 1 ASSI { 2781} (( segid " " and resid 1064 and name HB2 )) (( segid " " and resid 1064 and name H )) 2.400 0.700 0.700 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.39682E-02 ppm1 1.848 ppm2 8.416 CV 1 ASSI { 2782} (( segid " " and resid 1064 and name HB2 )) (( segid " " and resid 1063 and name H )) 4.100 2.100 1.900 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.75714E-03 ppm1 1.847 ppm2 8.263 CV 1 ASSI { 2785} (( segid " " and resid 1063 and name HA )) (( segid " " and resid 1064 and name H )) 3.400 1.400 1.400 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.99808E-03 ppm1 4.308 ppm2 8.417 CV 1 ASSI { 2787} (( segid " " and resid 1063 and name HB2 )) (( segid " " and resid 1064 and name H )) 2.900 1.000 1.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 2.528 ppm2 8.416 CV 1 ASSI { 2788} (( segid " " and resid 1063 and name HB2 )) (( segid " " and resid 1063 and name H )) 2.600 0.800 0.800 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.29667E-02 ppm1 2.528 ppm2 8.266 CV 1 ASSI { 2789} (( segid " " and resid 1063 and name HA )) (( segid " " and resid 1066 and name H )) 3.100 1.200 1.200 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.14042E-02 ppm1 4.310 ppm2 7.673 CV 1 ASSI { 2790} (( segid " " and resid 1063 and name HB3 )) (( segid " " and resid 1063 and name HA )) 2.800 0.900 0.900 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.25812E-02 ppm1 2.902 ppm2 4.313 CV 1 ASSI { 2793} (( segid " " and resid 1063 and name HA )) (( segid " " and resid 1063 and name HB2 )) 2.700 0.900 0.900 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.47357E-02 ppm1 4.310 ppm2 2.530 CV 1 ASSI { 2794} (( segid " " and resid 1063 and name HA )) (( segid " " and resid 1066 and name HG3 )) 2.700 0.900 0.900 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.25743E-02 ppm1 4.309 ppm2 2.204 CV 1 ASSI { 2795} (( segid " " and resid 1063 and name HA )) (( segid " " and resid 1066 and name HB3 )) 3.700 1.700 1.700 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.19204E-02 ppm1 4.310 ppm2 2.121 CV 1 ASSI { 2800} (( segid " " and resid 1062 and name HG2 )) (( segid " " and resid 1062 and name HG3 )) 1.700 0.300 0.500 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.16416E-01 ppm1 1.574 ppm2 1.444 CV 1 ASSI { 2801} (( segid " " and resid 1062 and name HG3 )) (( segid " " and resid 1059 and name HA )) 3.200 1.300 1.300 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 1.441 ppm2 4.486 CV 1 ASSI { 2803} (( segid " " and resid 1062 and name HD3 )) (( segid " " and resid 1059 and name HA )) 2.600 0.800 0.800 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.42607E-02 ppm1 1.652 ppm2 4.483 CV 1 OR { 2803} (( segid " " and resid 1062 and name HD2 )) (( segid " " and resid 1059 and name HA )) ASSI { 2804} (( segid " " and resid 1061 and name HG2 )) (( segid " " and resid 1062 and name H )) 3.300 1.400 1.400 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.90171E-03 ppm1 2.525 ppm2 7.411 CV 1 ASSI { 2805} (( segid " " and resid 1061 and name HG2 )) (( segid " " and resid 1061 and name H )) 2.400 0.700 0.700 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 2.529 ppm2 8.227 CV 1 ASSI { 2808} (( segid " " and resid 1061 and name HB3 )) (( segid " " and resid 1061 and name HA )) 2.600 0.800 0.800 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.26466E-02 ppm1 2.101 ppm2 3.840 CV 1 ASSI { 2809} (( segid " " and resid 1061 and name HB2 )) (( segid " " and resid 1061 and name HA )) 2.700 0.900 0.900 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.22026E-02 ppm1 2.196 ppm2 3.838 CV 1 ASSI { 2810} (( segid " " and resid 1061 and name HG2 )) (( segid " " and resid 1061 and name HA )) 3.300 1.300 1.300 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 2.529 ppm2 3.836 CV 1 ASSI { 2811} (( segid " " and resid 1061 and name HG2 )) (( segid " " and resid 1058 and name HA )) 2.700 0.900 0.900 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 2.530 ppm2 4.157 CV 1 ASSI { 2813} (( segid " " and resid 1061 and name HG2 )) (( segid " " and resid 1061 and name HG3 )) 1.800 0.400 0.400 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.13040E-01 ppm1 2.530 ppm2 2.178 CV 1 ASSI { 2814} (( segid " " and resid 1061 and name HG2 )) ( segid " " and resid 1057 and name HG1%) 3.100 1.200 1.200 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 2.531 ppm2 0.951 CV 1 ASSI { 2815} (( segid " " and resid 1060 and name HA )) (( segid " " and resid 1060 and name HB2 )) 3.100 1.200 1.200 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 4.154 ppm2 1.161 CV 1 ASSI { 2818} (( segid " " and resid 1060 and name HB3 )) ( segid " " and resid 1060 and name HD1%) 3.300 1.400 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 2.238 ppm2 0.679 CV 1 ASSI { 2819} (( segid " " and resid 1060 and name HB3 )) (( segid " " and resid 1060 and name HB2 )) 2.500 0.800 0.800 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.14283E-02 ppm1 2.240 ppm2 1.164 CV 1 ASSI { 2822} ( segid " " and resid 1060 and name HD1%) (( segid " " and resid 1060 and name HB2 )) 2.600 0.800 0.800 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.35208E-02 ppm1 0.679 ppm2 1.157 CV 1 ASSI { 2823} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1060 and name HB2 )) 3.000 1.100 1.100 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.55583E-02 ppm1 0.862 ppm2 1.153 CV 1 ASSI { 2824} (( segid " " and resid 1060 and name HB2 )) (( segid " " and resid 1060 and name HG )) 3.200 1.300 1.300 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.73307E-03 ppm1 1.165 ppm2 2.020 CV 1 ASSI { 2826} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1060 and name HB3 )) 2.500 0.800 0.800 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.43227E-02 ppm1 0.863 ppm2 2.249 CV 1 ASSI { 2827} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1063 and name HB2 )) 3.200 1.300 1.300 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.18585E-02 ppm1 0.862 ppm2 2.528 CV 1 ASSI { 2828} (( segid " " and resid 1064 and name HG )) (( segid " " and resid 1063 and name HB2 )) 3.500 1.500 1.500 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.73307E-03 ppm1 1.705 ppm2 2.528 CV 1 ASSI { 2829} (( segid " " and resid 1184 and name HG2 )) (( segid " " and resid 1183 and name HB2 )) 2.900 1.100 1.100 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.16520E-02 ppm1 1.699 ppm2 2.141 CV 1 ASSI { 2833} (( segid " " and resid 1060 and name HB3 )) (( segid " " and resid 1060 and name HA )) 3.400 1.400 1.400 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.60227E-03 ppm1 2.238 ppm2 4.169 CV 1 ASSI { 2835} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1060 and name HA )) 2.200 0.600 0.600 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.10924E-01 ppm1 0.864 ppm2 4.155 CV 1 ASSI { 2836} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1129 and name HA )) 2.200 0.600 0.600 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.87454E-02 ppm1 0.863 ppm2 3.969 CV 1 ASSI { 2840} ( segid " " and resid 1060 and name HD2%) (( segid " " and resid 1060 and name H )) 3.200 1.300 1.300 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.35104E-02 ppm1 0.863 ppm2 8.349 CV 1 ASSI { 2841} ( segid " " and resid 1060 and name HD1%) (( segid " " and resid 1129 and name H )) 2.900 1.100 1.100 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.23231E-02 ppm1 0.680 ppm2 8.116 CV 1 ASSI { 2843} (( segid " " and resid 1060 and name HA )) (( segid " " and resid 1060 and name H )) 2.900 1.000 1.000 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.19239E-02 ppm1 4.154 ppm2 8.361 CV 1 ASSI { 2844} (( segid " " and resid 1059 and name HA )) (( segid " " and resid 1063 and name H )) 3.400 1.400 1.400 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.13423E-02 ppm1 4.490 ppm2 8.269 CV 1 ASSI { 2845} (( segid " " and resid 1059 and name HA )) (( segid " " and resid 1059 and name H )) 2.600 0.800 0.800 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.36997E-02 ppm1 4.487 ppm2 8.129 CV 1 ASSI { 2847} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1059 and name H )) 2.400 0.700 0.700 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.40646E-02 ppm1 2.868 ppm2 8.129 CV 1 ASSI { 2848} (( segid " " and resid 1059 and name HB3 )) (( segid " " and resid 1060 and name H )) 3.800 1.800 1.800 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.11288E-02 ppm1 2.953 ppm2 8.351 CV 1 ASSI { 2849} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1060 and name H )) 2.900 1.100 1.100 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 2.866 ppm2 8.350 CV 1 ASSI { 2850} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1058 and name H )) 4.400 2.400 1.600 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.52657E-03 ppm1 2.862 ppm2 8.590 CV 1 ASSI { 2851} (( segid " " and resid 1059 and name HA )) (( segid " " and resid 1062 and name H )) 2.900 1.000 1.000 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.23403E-02 ppm1 4.484 ppm2 7.412 CV 1 ASSI { 2853} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1059 and name HD21)) 2.600 0.800 0.800 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.20581E-02 ppm1 2.867 ppm2 7.426 CV 1 ASSI { 2857} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1059 and name HA )) 2.800 1.000 1.000 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.40026E-02 ppm1 2.866 ppm2 4.486 CV 1 ASSI { 2858} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1060 and name HA )) 3.600 1.600 1.600 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.66767E-03 ppm1 2.861 ppm2 4.166 CV 1 ASSI { 2859} (( segid " " and resid 1059 and name HB3 )) (( segid " " and resid 1056 and name HA )) 4.100 2.100 1.900 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.14455E-02 ppm1 2.952 ppm2 3.626 CV 1 ASSI { 2860} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1056 and name HA )) 2.900 1.000 1.000 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.17036E-02 ppm1 2.866 ppm2 3.621 CV 1 ASSI { 2861} (( segid " " and resid 1059 and name HA )) (( segid " " and resid 1059 and name HB3 )) 2.500 0.800 0.800 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.44638E-02 ppm1 4.485 ppm2 2.946 CV 1 ASSI { 2862} (( segid " " and resid 1059 and name HB3 )) (( segid " " and resid 1059 and name HB2 )) 1.800 0.400 0.400 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.11684E-01 ppm1 2.952 ppm2 2.865 CV 1 ASSI { 2865} (( segid " " and resid 1059 and name HB3 )) (( segid " " and resid 1062 and name HB3 )) 3.800 1.800 1.800 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.75374E-03 ppm1 2.953 ppm2 1.983 CV 1 OR { 2865} (( segid " " and resid 1059 and name HB3 )) (( segid " " and resid 1062 and name HB2 )) ASSI { 2866} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1062 and name HB3 )) 4.000 2.000 2.000 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 2.867 ppm2 1.969 CV 1 OR { 2866} (( segid " " and resid 1059 and name HB2 )) (( segid " " and resid 1062 and name HB2 )) ASSI { 2868} (( segid " " and resid 1059 and name HA )) (( segid " " and resid 1062 and name HG2 )) 3.900 1.900 1.900 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 4.484 ppm2 1.575 CV 1 ASSI { 2870} (( segid " " and resid 1050 and name HG3 )) (( segid " " and resid 1118 and name HA2 )) 3.000 1.100 1.100 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.11151E-02 ppm1 2.368 ppm2 3.559 CV 1 ASSI { 2871} (( segid " " and resid 1050 and name HG2 )) (( segid " " and resid 1118 and name HA2 )) 3.300 1.400 1.400 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.11805E-02 ppm1 2.571 ppm2 3.555 CV 1 ASSI { 2872} (( segid " " and resid 1050 and name HG3 )) (( segid " " and resid 1050 and name HA )) 2.700 0.900 0.900 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.46565E-02 ppm1 2.369 ppm2 3.946 CV 1 ASSI { 2873} (( segid " " and resid 1057 and name HA )) (( segid " " and resid 1057 and name H )) 3.000 1.100 1.100 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 3.430 ppm2 8.007 CV 1 ASSI { 2874} (( segid " " and resid 1057 and name HB )) (( segid " " and resid 1057 and name H )) 2.700 0.900 0.900 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.22061E-02 ppm1 2.155 ppm2 8.006 CV 1 ASSI { 2875} (( segid " " and resid 1057 and name HA )) (( segid " " and resid 1060 and name H )) 3.200 1.300 1.300 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 3.429 ppm2 8.350 CV 1 ASSI { 2876} (( segid " " and resid 1057 and name HB )) (( segid " " and resid 1058 and name H )) 2.900 1.100 1.100 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.15419E-02 ppm1 2.155 ppm2 8.602 CV 1 ASSI { 2877} (( segid " " and resid 1057 and name HB )) (( segid " " and resid 1057 and name HA )) 3.200 1.300 1.300 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 2.163 ppm2 3.432 CV 1 ASSI { 2879} (( segid " " and resid 1057 and name HA )) (( segid " " and resid 1060 and name HB3 )) 3.600 1.600 1.600 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.18894E-02 ppm1 3.431 ppm2 2.231 CV 1 ASSI { 2880} (( segid " " and resid 1057 and name HA )) (( segid " " and resid 1060 and name HG )) 3.300 1.400 1.400 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.95335E-03 ppm1 3.429 ppm2 2.014 CV 1 ASSI { 2882} (( segid " " and resid 1057 and name HB )) ( segid " " and resid 1056 and name HG2%) 3.700 3.700 2.300 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.14386E-02 ppm1 2.150 ppm2 1.020 CV 1 ASSI { 2884} (( segid " " and resid 1057 and name HA )) (( segid " " and resid 1060 and name HB2 )) 3.000 1.200 1.200 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 3.429 ppm2 1.163 CV 1 ASSI { 2886} (( segid " " and resid 1056 and name HA )) ( segid " " and resid 1056 and name HG1%) 3.100 1.200 1.200 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 3.622 ppm2 0.923 CV 1 ASSI { 2888} ( segid " " and resid 1200 and name HG1%) ( segid " " and resid 1091 and name HD2%) 2.100 0.500 0.500 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.14754E-01 ppm1 1.013 ppm2 0.817 CV 1 ASSI { 2889} (( segid " " and resid 1056 and name HA )) (( segid " " and resid 1056 and name HB )) 3.100 1.200 1.200 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.13216E-02 ppm1 3.622 ppm2 2.275 CV 1 ASSI { 2890} ( segid " " and resid 1056 and name HG2%) (( segid " " and resid 1056 and name HB )) 2.200 0.600 0.600 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.11147E-01 ppm1 1.014 ppm2 2.279 CV 1 ASSI { 2894} ( segid " " and resid 1056 and name HG2%) (( segid " " and resid 1056 and name HA )) 2.200 0.600 0.600 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.14751E-01 ppm1 1.014 ppm2 3.625 CV 1 ASSI { 2895} (( segid " " and resid 1056 and name HA )) (( segid " " and resid 1055 and name HB3 )) 3.500 1.500 1.500 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.96020E-03 ppm1 3.620 ppm2 3.964 CV 1 ASSI { 2897} (( segid " " and resid 1056 and name HA )) (( segid " " and resid 1059 and name HD21)) 3.400 1.400 1.400 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.61603E-03 ppm1 3.625 ppm2 7.421 CV 1 ASSI { 2898} (( segid " " and resid 1056 and name HA )) (( segid " " and resid 1060 and name H )) 3.900 1.900 1.900 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.51280E-03 ppm1 3.623 ppm2 8.349 CV 1 ASSI { 2900} ( segid " " and resid 1056 and name HG2%) (( segid " " and resid 1057 and name H )) 2.800 1.000 1.000 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.41265E-02 ppm1 1.013 ppm2 8.001 CV 1 ASSI { 2903} (( segid " " and resid 1055 and name HA )) (( segid " " and resid 1058 and name H )) 3.300 1.400 1.400 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 4.194 ppm2 8.592 CV 1 ASSI { 2904} (( segid " " and resid 1055 and name HB3 )) (( segid " " and resid 1055 and name H )) 2.200 0.600 0.600 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.10273E-01 ppm1 3.951 ppm2 7.826 CV 1 OR { 2904} (( segid " " and resid 1055 and name HB2 )) (( segid " " and resid 1055 and name H )) ASSI { 2905} (( segid " " and resid 1055 and name HB3 )) (( segid " " and resid 1059 and name HD22)) 3.500 1.600 1.600 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.74338E-03 ppm1 3.953 ppm2 6.901 CV 1 OR { 2905} (( segid " " and resid 1055 and name HB2 )) (( segid " " and resid 1059 and name HD22)) ASSI { 2906} (( segid " " and resid 1055 and name HA )) (( segid " " and resid 1055 and name HB2 )) 2.200 0.600 0.600 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.10669E-01 ppm1 4.187 ppm2 3.938 CV 1 OR { 2906} (( segid " " and resid 1055 and name HA )) (( segid " " and resid 1055 and name HB3 )) ASSI { 2908} (( segid " " and resid 1055 and name HA )) (( segid " " and resid 1054 and name HB3 )) 3.200 1.300 1.300 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 4.192 ppm2 1.901 CV 1 ASSI { 2910} (( segid " " and resid 1100 and name HA )) ( segid " " and resid 1103 and name HB% ) 2.800 1.000 1.000 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.23851E-02 ppm1 4.192 ppm2 1.478 CV 1 ASSI { 2911} (( segid " " and resid 1055 and name HB2 )) (( segid " " and resid 1054 and name HB3 )) 3.400 1.500 1.500 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 3.951 ppm2 1.880 CV 1 ASSI { 2912} (( segid " " and resid 1055 and name HB3 )) ( segid " " and resid 1056 and name HG1%) 3.100 3.100 2.900 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 3.940 ppm2 0.942 CV 1 ASSI { 2917} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1054 and name HB2 )) 2.200 0.600 0.600 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.93303E-02 ppm1 0.875 ppm2 1.578 CV 1 ASSI { 2918} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1054 and name HG )) 2.200 0.600 0.600 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.83665E-02 ppm1 0.877 ppm2 1.506 CV 1 ASSI { 2919} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1054 and name HB2 )) 2.200 0.600 0.600 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.87864E-02 ppm1 0.941 ppm2 1.566 CV 1 ASSI { 2920} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1054 and name HG )) 2.100 0.500 0.500 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.11313E-01 ppm1 0.940 ppm2 1.504 CV 1 ASSI { 2921} (( segid " " and resid 1054 and name HB3 )) (( segid " " and resid 1054 and name HB2 )) 1.900 0.500 0.500 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.76059E-02 ppm1 1.872 ppm2 1.571 CV 1 ASSI { 2922} (( segid " " and resid 1054 and name HA )) (( segid " " and resid 1054 and name HB2 )) 2.500 0.800 0.800 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.28875E-02 ppm1 3.898 ppm2 1.576 CV 1 ASSI { 2924} (( segid " " and resid 1054 and name HA )) (( segid " " and resid 1054 and name HB3 )) 3.000 1.100 1.100 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.25158E-02 ppm1 3.897 ppm2 1.877 CV 1 ASSI { 2926} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1054 and name HB3 )) 2.300 0.600 0.600 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.82360E-02 ppm1 0.876 ppm2 1.879 CV 1 ASSI { 2927} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1058 and name HG2 )) 3.800 1.800 1.800 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 0.877 ppm2 2.558 CV 1 ASSI { 2929} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1058 and name HG2 )) 2.900 1.000 1.000 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.36034E-02 ppm1 0.941 ppm2 2.553 CV 1 ASSI { 2933} (( segid " " and resid 1054 and name HG )) (( segid " " and resid 1058 and name HG2 )) 3.800 1.800 1.800 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.91201E-03 ppm1 1.495 ppm2 2.556 CV 1 ASSI { 2934} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1054 and name HA )) 2.000 0.500 0.500 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.13756E-01 ppm1 0.940 ppm2 3.909 CV 1 ASSI { 2935} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1054 and name HA )) 3.100 1.200 1.200 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.56030E-02 ppm1 0.876 ppm2 3.919 CV 1 ASSI { 2936} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1055 and name HA )) 4.000 2.000 2.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.69519E-03 ppm1 0.878 ppm2 4.199 CV 1 ASSI { 2939} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1058 and name HE22)) 3.100 1.200 1.200 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.22267E-02 ppm1 0.875 ppm2 6.735 CV 1 ASSI { 2940} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1058 and name HE21)) 3.100 1.200 1.200 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.17690E-02 ppm1 0.876 ppm2 7.440 CV 1 ASSI { 2941} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1058 and name HE22)) 3.500 1.600 1.600 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.18172E-02 ppm1 0.941 ppm2 6.735 CV 1 ASSI { 2942} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1058 and name HE21)) 2.700 0.900 0.900 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.26294E-02 ppm1 0.941 ppm2 7.438 CV 1 ASSI { 2943} (( segid " " and resid 1054 and name HB3 )) (( segid " " and resid 1054 and name H )) 2.600 0.800 0.800 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 1.871 ppm2 7.985 CV 1 ASSI { 2944} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1054 and name H )) 3.500 1.500 1.500 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.28153E-02 ppm1 0.940 ppm2 7.986 CV 1 ASSI { 2945} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1055 and name H )) 3.700 1.700 1.700 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 0.941 ppm2 7.818 CV 1 ASSI { 2946} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1054 and name H )) 3.800 1.800 1.800 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.22612E-02 ppm1 0.877 ppm2 7.986 CV 1 ASSI { 2949} (( segid " " and resid 1054 and name HA )) (( segid " " and resid 1054 and name H )) 2.600 0.900 0.900 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.32523E-02 ppm1 3.903 ppm2 7.987 CV 1 ASSI { 2950} (( segid " " and resid 1054 and name HB2 )) (( segid " " and resid 1054 and name H )) 2.800 0.900 0.900 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.25433E-02 ppm1 1.573 ppm2 7.983 CV 1 ASSI { 2952} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1167 and name H )) 2.900 1.100 1.100 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.33865E-02 ppm1 0.941 ppm2 8.231 CV 1 ASSI { 2953} ( segid " " and resid 1054 and name HD2%) (( segid " " and resid 1167 and name H )) 3.600 1.600 1.600 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 0.877 ppm2 8.237 CV 1 ASSI { 2954} ( segid " " and resid 1054 and name HD1%) (( segid " " and resid 1058 and name H )) 3.300 1.300 1.300 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.14283E-02 ppm1 0.941 ppm2 8.602 CV 1 ASSI { 2955} ( segid " " and resid 1053 and name HB% ) (( segid " " and resid 1055 and name H )) 3.800 1.800 1.800 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 1.348 ppm2 7.805 CV 1 ASSI { 2956} ( segid " " and resid 1053 and name HB% ) ( segid " " and resid 1166 and name HG2%) 2.800 1.000 1.000 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.28669E-02 ppm1 1.351 ppm2 0.929 CV 1 ASSI { 2959} (( segid " " and resid 1053 and name HA )) ( segid " " and resid 1056 and name HG2%) 2.900 1.000 1.000 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.20134E-02 ppm1 3.970 ppm2 1.010 CV 1 ASSI { 2962} (( segid " " and resid 1090 and name HB2 )) (( segid " " and resid 1090 and name HB3 )) 2.400 0.700 0.700 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 2.644 ppm2 2.794 CV 1 ASSI { 2963} (( segid " " and resid 1090 and name HB2 )) ( segid " " and resid 1134 and name HB% ) 3.800 1.800 1.800 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 2.634 ppm2 1.537 CV 1 ASSI { 2964} (( segid " " and resid 1051 and name HB2 )) (( segid " " and resid 1051 and name HB3 )) 2.000 0.500 0.500 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.71621E-02 ppm1 2.571 ppm2 2.665 CV 1 ASSI { 2965} (( segid " " and resid 1050 and name HA )) ( segid " " and resid 1166 and name HG2%) 3.400 1.400 1.400 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 3.943 ppm2 0.911 CV 1 ASSI { 2967} ( segid " " and resid 1050 and name HE% ) ( segid " " and resid 1105 and name HD2%) 2.200 0.600 0.600 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.10941E-01 ppm1 1.831 ppm2 0.919 CV 1 ASSI { 2968} ( segid " " and resid 1050 and name HE% ) ( segid " " and resid 1121 and name HB% ) 2.200 0.600 0.600 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.13367E-01 ppm1 1.831 ppm2 1.414 CV 1 ASSI { 2969} ( segid " " and resid 1050 and name HE% ) ( segid " " and resid 1117 and name HB% ) 2.100 0.600 0.600 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.12889E-01 ppm1 1.831 ppm2 1.310 CV 1 ASSI { 2970} ( segid " " and resid 1050 and name HE% ) (( segid " " and resid 1050 and name HB3 )) 3.300 1.400 1.400 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.21304E-02 ppm1 1.832 ppm2 2.136 CV 1 ASSI { 2971} ( segid " " and resid 1050 and name HE% ) (( segid " " and resid 1050 and name HG3 )) 2.400 0.700 0.700 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.65321E-02 ppm1 1.831 ppm2 2.368 CV 1 ASSI { 2972} ( segid " " and resid 1050 and name HE% ) (( segid " " and resid 1050 and name HG2 )) 2.300 0.700 0.700 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.62499E-02 ppm1 1.831 ppm2 2.570 CV 1 ASSI { 2973} (( segid " " and resid 1050 and name HB3 )) (( segid " " and resid 1050 and name HG2 )) 2.900 1.100 1.100 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.10772E-02 ppm1 2.133 ppm2 2.571 CV 1 ASSI { 2975} (( segid " " and resid 1050 and name HB2 )) (( segid " " and resid 1050 and name HG3 )) 2.900 1.000 1.000 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 1.728 ppm2 2.363 CV 1 ASSI { 2976} (( segid " " and resid 1050 and name HB3 )) (( segid " " and resid 1050 and name HA )) 2.800 1.000 1.000 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 2.122 ppm2 3.939 CV 1 ASSI { 2977} (( segid " " and resid 1050 and name HG2 )) (( segid " " and resid 1050 and name HA )) 2.500 0.800 0.800 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.29426E-02 ppm1 2.569 ppm2 3.948 CV 1 ASSI { 2978} ( segid " " and resid 1050 and name HE% ) (( segid " " and resid 1117 and name HA )) 2.500 0.800 0.800 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.70725E-02 ppm1 1.831 ppm2 3.962 CV 1 ASSI { 2979} ( segid " " and resid 1050 and name HE% ) (( segid " " and resid 1117 and name H )) 4.300 2.300 1.700 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.19927E-02 ppm1 1.831 ppm2 8.512 CV 1 ASSI { 2980} (( segid " " and resid 1050 and name HB2 )) (( segid " " and resid 1049 and name H )) 4.200 2.200 1.800 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.74338E-03 ppm1 1.723 ppm2 8.397 CV 1 ASSI { 2982} (( segid " " and resid 1204 and name HB2 )) (( segid " " and resid 1206 and name H )) 2.900 1.000 1.000 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.17312E-02 ppm1 1.898 ppm2 8.092 CV 1 ASSI { 2983} (( segid " " and resid 1078 and name HD2 )) (( segid " " and resid 1078 and name HG2 )) 2.800 1.000 1.000 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.16210E-02 ppm1 3.465 ppm2 1.738 CV 1 ASSI { 2984} (( segid " " and resid 1045 and name HA )) (( segid " " and resid 1046 and name HA3 )) 3.000 3.000 3.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.29942E-02 ppm1 4.242 ppm2 3.896 CV 1 ASSI { 2987} ( segid " " and resid 1105 and name HD2%) (( segid " " and resid 1121 and name H )) 2.700 0.900 0.900 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.33659E-02 ppm1 0.918 ppm2 8.292 CV 1 ASSI { 2988} ( segid " " and resid 1105 and name HD2%) (( segid " " and resid 1120 and name H )) 3.800 1.800 1.800 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 0.919 ppm2 7.798 CV 1 ASSI { 2989} ( segid " " and resid 1105 and name HD2%) (( segid " " and resid 1124 and name H )) 3.500 1.500 1.500 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.13904E-02 ppm1 0.919 ppm2 8.532 CV 1 ASSI { 2990} ( segid " " and resid 1105 and name HD2%) (( segid " " and resid 1105 and name H )) 3.500 1.500 1.500 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.20374E-02 ppm1 0.917 ppm2 8.444 CV 1 ASSI { 2991} ( segid " " and resid 1105 and name HD2%) (( segid " " and resid 1105 and name HA )) 2.200 0.600 0.600 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.95745E-02 ppm1 0.918 ppm2 3.735 CV 1 ASSI { 2992} ( segid " " and resid 1105 and name HD2%) (( segid " " and resid 1117 and name HA )) 2.600 0.900 0.900 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.46049E-02 ppm1 0.919 ppm2 3.955 CV 1 ASSI { 2993} ( segid " " and resid 1105 and name HD2%) (( segid " " and resid 1105 and name HB3 )) 2.600 0.800 0.800 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.33418E-02 ppm1 0.918 ppm2 2.310 CV 1 ASSI { 2995} ( segid " " and resid 1105 and name HD2%) ( segid " " and resid 1121 and name HB% ) 2.100 2.100 3.900 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.18347E-01 ppm1 0.918 ppm2 1.420 CV 1 ASSI { 2996} (( segid " " and resid 1060 and name HG )) (( segid " " and resid 1060 and name HA )) 3.800 1.800 1.800 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.48527E-03 ppm1 2.033 ppm2 4.154 CV 1 ASSI { 2997} (( segid " " and resid 1060 and name HG )) (( segid " " and resid 1060 and name HB3 )) 3.700 1.700 1.700 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.64700E-03 ppm1 2.024 ppm2 2.254 CV 1 ASSI { 2999} (( segid " " and resid 1068 and name HG2 )) (( segid " " and resid 1068 and name HE3 )) 3.400 1.500 1.500 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.84321E-03 ppm1 1.543 ppm2 2.796 CV 1 ASSI { 3000} (( segid " " and resid 1068 and name HG2 )) (( segid " " and resid 1068 and name HE2 )) 3.400 1.500 1.500 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.94299E-03 ppm1 1.538 ppm2 2.721 CV 1 ASSI { 3001} (( segid " " and resid 1068 and name HG3 )) (( segid " " and resid 1068 and name HE3 )) 3.500 1.500 1.500 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.77435E-03 ppm1 1.353 ppm2 2.794 CV 1 ASSI { 3002} (( segid " " and resid 1068 and name HG3 )) (( segid " " and resid 1068 and name HE2 )) 3.800 1.800 1.800 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.60918E-03 ppm1 1.356 ppm2 2.721 CV 1 ASSI { 3003} (( segid " " and resid 1068 and name HG3 )) (( segid " " and resid 1065 and name HA )) 3.800 1.800 1.800 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.98772E-03 ppm1 1.355 ppm2 3.958 CV 1 ASSI { 3006} (( segid " " and resid 1068 and name HG3 )) (( segid " " and resid 1068 and name HG2 )) 2.000 0.500 0.500 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.55169E-02 ppm1 1.355 ppm2 1.557 CV 1 ASSI { 3009} (( segid " " and resid 1068 and name HG3 )) ( segid " " and resid 1152 and name HD1%) 3.100 1.200 1.200 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.12941E-02 ppm1 1.357 ppm2 0.627 CV 1 ASSI { 3013} (( segid " " and resid 1082 and name HB3 )) (( segid " " and resid 1082 and name HG3 )) 3.400 1.500 1.500 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.13973E-02 ppm1 2.189 ppm2 1.828 CV 1 ASSI { 3015} (( segid " " and resid 1086 and name HD2 )) (( segid " " and resid 1086 and name HE3 )) 2.500 0.800 0.800 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.51865E-02 ppm1 1.712 ppm2 2.958 CV 1 OR { 3015} (( segid " " and resid 1086 and name HD3 )) (( segid " " and resid 1086 and name HE2 )) OR { 3015} (( segid " " and resid 1086 and name HD2 )) (( segid " " and resid 1086 and name HE2 )) OR { 3015} (( segid " " and resid 1086 and name HD3 )) (( segid " " and resid 1086 and name HE3 )) ASSI { 3017} ( segid " " and resid 1101 and name HB% ) (( segid " " and resid 1101 and name HA )) 2.200 0.600 0.600 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.89790E-02 ppm1 1.486 ppm2 4.226 CV 1 ASSI { 3018} ( segid " " and resid 1101 and name HB% ) (( segid " " and resid 1098 and name HA )) 2.400 0.700 0.700 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.44535E-02 ppm1 1.486 ppm2 3.518 CV 1 ASSI { 3019} ( segid " " and resid 1101 and name HB% ) (( segid " " and resid 1124 and name HA )) 2.700 0.900 0.900 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.49284E-02 ppm1 1.486 ppm2 3.403 CV 1 ASSI { 3020} ( segid " " and resid 1101 and name HB% ) (( segid " " and resid 1123 and name HB2 )) 2.900 1.000 1.000 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.33350E-02 ppm1 1.486 ppm2 2.952 CV 1 ASSI { 3021} ( segid " " and resid 1101 and name HB% ) (( segid " " and resid 1123 and name HB3 )) 2.300 0.700 0.700 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.50798E-02 ppm1 1.485 ppm2 2.530 CV 1 ASSI { 3022} ( segid " " and resid 1101 and name HB% ) ( segid " " and resid 1124 and name HG1%) 2.100 0.600 0.600 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.93818E-02 ppm1 1.485 ppm2 0.967 CV 1 ASSI { 3024} (( segid " " and resid 1167 and name HB3 )) ( segid " " and resid 1054 and name HD2%) 3.500 1.500 1.500 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.20787E-02 ppm1 2.010 ppm2 0.858 CV 1 ASSI { 3025} (( segid " " and resid 1102 and name HG13)) (( segid " " and resid 1102 and name HG12)) 2.300 0.600 0.600 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.30837E-02 ppm1 2.015 ppm2 0.700 CV 1 OR { 3025} (( segid " " and resid 1102 and name HG13)) ( segid " " and resid 1102 and name HD1%) ASSI { 3027} (( segid " " and resid 1102 and name HG12)) (( segid " " and resid 1102 and name HA )) 3.700 1.700 1.700 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.92237E-03 ppm1 0.697 ppm2 3.378 CV 1 ASSI { 3029} (( segid " " and resid 1102 and name HG12)) (( segid " " and resid 1102 and name HG13)) 2.500 0.800 0.800 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 0.697 ppm2 2.022 CV 1 ASSI { 3030} ( segid " " and resid 1103 and name HB% ) (( segid " " and resid 1103 and name H )) 2.300 0.700 0.700 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.73378E-02 ppm1 1.466 ppm2 7.495 CV 1 ASSI { 3031} (( segid " " and resid 1104 and name HG3 )) (( segid " " and resid 1104 and name H )) 3.300 1.400 1.400 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 1.505 ppm2 7.726 CV 1 ASSI { 3032} (( segid " " and resid 1104 and name HG2 )) (( segid " " and resid 1104 and name H )) 3.600 1.600 1.600 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.70210E-03 ppm1 1.370 ppm2 7.721 CV 1 ASSI { 3034} (( segid " " and resid 1170 and name HD3 )) (( segid " " and resid 1170 and name HA )) 4.000 2.000 2.000 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 1.526 ppm2 3.864 CV 1 OR { 3034} (( segid " " and resid 1170 and name HD2 )) (( segid " " and resid 1170 and name HA )) ASSI { 3035} (( segid " " and resid 1104 and name HB3 )) (( segid " " and resid 1104 and name HG3 )) 2.700 0.900 0.900 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.37996E-02 ppm1 1.989 ppm2 1.485 CV 1 ASSI { 3036} (( segid " " and resid 1104 and name HB3 )) (( segid " " and resid 1104 and name HG2 )) 2.600 0.800 0.800 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.27671E-02 ppm1 1.989 ppm2 1.387 CV 1 ASSI { 3041} (( segid " " and resid 1105 and name HA )) (( segid " " and resid 1105 and name HB3 )) 2.900 1.000 1.000 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.17139E-02 ppm1 3.731 ppm2 2.307 CV 1 ASSI { 3042} (( segid " " and resid 1105 and name HA )) (( segid " " and resid 1105 and name H )) 2.900 1.100 1.100 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 3.729 ppm2 8.442 CV 1 ASSI { 3043} (( segid " " and resid 1105 and name HB3 )) (( segid " " and resid 1105 and name H )) 3.900 1.900 1.900 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 2.308 ppm2 8.442 CV 1 ASSI { 3044} (( segid " " and resid 1105 and name HB2 )) (( segid " " and resid 1105 and name H )) 3.000 1.100 1.100 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.93613E-03 ppm1 1.377 ppm2 8.442 CV 1 ASSI { 3046} (( segid " " and resid 1106 and name HA )) (( segid " " and resid 1106 and name HG )) 2.700 0.900 0.900 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.33865E-02 ppm1 3.755 ppm2 1.827 CV 1 ASSI { 3047} (( segid " " and resid 1106 and name HA )) (( segid " " and resid 1106 and name HB2 )) 2.800 1.000 1.000 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.37617E-02 ppm1 3.752 ppm2 1.517 CV 1 ASSI { 3049} (( segid " " and resid 1105 and name HA )) (( segid " " and resid 1105 and name HB2 )) 2.800 1.000 1.000 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.32971E-02 ppm1 3.730 ppm2 1.395 CV 1 ASSI { 3050} (( segid " " and resid 1105 and name HB3 )) (( segid " " and resid 1105 and name HB2 )) 2.500 0.800 0.800 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 2.311 ppm2 1.393 CV 1 ASSI { 3052} (( segid " " and resid 1105 and name HB2 )) ( segid " " and resid 1105 and name HD1%) 3.100 1.200 1.200 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 1.376 ppm2 0.691 CV 1 ASSI { 3053} (( segid " " and resid 1105 and name HB2 )) ( segid " " and resid 1105 and name HD2%) 4.100 2.100 1.900 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.69519E-03 ppm1 1.369 ppm2 0.921 CV 1 ASSI { 3055} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1105 and name H )) 3.500 1.500 1.500 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.22336E-02 ppm1 0.690 ppm2 8.439 CV 1 ASSI { 3057} (( segid " " and resid 1105 and name HG )) (( segid " " and resid 1105 and name HA )) 3.300 1.300 1.300 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 1.448 ppm2 3.741 CV 1 ASSI { 3058} ( segid " " and resid 1060 and name HD1%) (( segid " " and resid 1060 and name H )) 3.500 1.500 1.500 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.23679E-02 ppm1 0.679 ppm2 8.347 CV 1 ASSI { 3059} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1166 and name H )) 3.300 3.300 2.700 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 0.686 ppm2 8.220 CV 1 ASSI { 3061} (( segid " " and resid 1105 and name HG )) (( segid " " and resid 1105 and name H )) 3.400 1.500 1.500 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.59881E-03 ppm1 1.447 ppm2 8.444 CV 1 ASSI { 3062} ( segid " " and resid 1105 and name HD1%) (( segid " " and resid 1105 and name HB3 )) 2.500 0.800 0.800 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.58816E-02 ppm1 0.688 ppm2 2.299 CV 1 ASSI { 3063} ( segid " " and resid 1105 and name HD2%) ( segid " " and resid 1105 and name HD1%) 2.100 0.600 0.600 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.14107E-01 ppm1 0.917 ppm2 0.695 CV 1 ASSI { 3064} (( segid " " and resid 1105 and name HG )) ( segid " " and resid 1105 and name HD1%) 2.600 0.900 0.900 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.28807E-02 ppm1 1.446 ppm2 0.700 CV 1 ASSI { 3066} (( segid " " and resid 1116 and name HB2 )) ( segid " " and resid 1050 and name HE% ) 4.500 2.600 1.500 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.61263E-03 ppm1 3.016 ppm2 1.822 CV 1 ASSI { 3068} (( segid " " and resid 1115 and name HB2 )) (( segid " " and resid 1116 and name H )) 3.200 1.300 1.300 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 2.738 ppm2 7.892 CV 1 ASSI { 3069} (( segid " " and resid 1115 and name HB3 )) (( segid " " and resid 1116 and name H )) 3.200 1.300 1.300 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.13973E-02 ppm1 2.706 ppm2 7.887 CV 1 OR { 3069} (( segid " " and resid 1115 and name HB2 )) (( segid " " and resid 1116 and name H )) ASSI { 3070} (( segid " " and resid 1115 and name HB2 )) (( segid " " and resid 1115 and name HD21)) 3.200 1.300 1.300 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 2.717 ppm2 7.360 CV 1 OR { 3070} (( segid " " and resid 1115 and name HB3 )) (( segid " " and resid 1115 and name HD21)) ASSI { 3071} (( segid " " and resid 1115 and name HB2 )) (( segid " " and resid 1115 and name H )) 3.200 1.300 1.300 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 2.735 ppm2 8.533 CV 1 ASSI { 3072} (( segid " " and resid 1115 and name HB2 )) (( segid " " and resid 1115 and name HD22)) 4.200 2.200 1.800 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.75374E-03 ppm1 2.705 ppm2 6.776 CV 1 OR { 3072} (( segid " " and resid 1115 and name HB3 )) (( segid " " and resid 1115 and name HD22)) ASSI { 3073} (( segid " " and resid 1115 and name HB2 )) ( segid " " and resid 1116 and name HD% ) 3.800 1.800 1.800 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.65737E-03 ppm1 2.743 ppm2 7.011 CV 1 ASSI { 3075} (( segid " " and resid 1115 and name HB2 )) (( segid " " and resid 1115 and name HA )) 2.600 0.900 0.900 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.41541E-02 ppm1 2.740 ppm2 4.401 CV 1 ASSI { 3076} (( segid " " and resid 1115 and name HB2 )) (( segid " " and resid 1115 and name HA )) 2.600 0.900 0.900 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.42229E-02 ppm1 2.709 ppm2 4.400 CV 1 OR { 3076} (( segid " " and resid 1115 and name HB3 )) (( segid " " and resid 1115 and name HA )) ASSI { 3077} (( segid " " and resid 1114 and name HB2 )) (( segid " " and resid 1114 and name HA )) 2.500 0.800 0.800 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.54068E-02 ppm1 1.967 ppm2 3.826 CV 1 OR { 3077} (( segid " " and resid 1114 and name HB3 )) (( segid " " and resid 1114 and name HA )) ASSI { 3078} (( segid " " and resid 1109 and name HB )) (( segid " " and resid 1109 and name H )) 2.900 1.100 1.100 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.22026E-02 ppm1 1.847 ppm2 8.073 CV 1 ASSI { 3080} (( segid " " and resid 1109 and name HA )) (( segid " " and resid 1109 and name H )) 3.200 1.200 1.200 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.13732E-02 ppm1 3.736 ppm2 8.072 CV 1 ASSI { 3081} ( segid " " and resid 1109 and name HG2%) (( segid " " and resid 1109 and name H )) 3.000 1.200 1.200 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 0.736 ppm2 8.072 CV 1 ASSI { 3084} (( segid " " and resid 1109 and name HB )) (( segid " " and resid 1109 and name HG13)) 3.000 1.100 1.100 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.13526E-02 ppm1 1.848 ppm2 1.679 CV 1 ASSI { 3085} (( segid " " and resid 1109 and name HB )) ( segid " " and resid 1109 and name HG2%) 2.700 0.900 0.900 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.36206E-02 ppm1 1.850 ppm2 0.738 CV 1 OR { 3085} (( segid " " and resid 1109 and name HB )) ( segid " " and resid 1109 and name HD1%) ASSI { 3086} (( segid " " and resid 1109 and name HA )) ( segid " " and resid 1109 and name HG2%) 2.800 1.000 1.000 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.32145E-02 ppm1 3.730 ppm2 0.734 CV 1 OR { 3086} (( segid " " and resid 1109 and name HA )) ( segid " " and resid 1109 and name HD1%) ASSI { 3087} (( segid " " and resid 1109 and name HA )) (( segid " " and resid 1109 and name HG12)) 3.100 1.200 1.200 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 3.736 ppm2 1.080 CV 1 ASSI { 3088} (( segid " " and resid 1109 and name HB )) (( segid " " and resid 1109 and name HG12)) 3.600 1.600 1.600 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.75714E-03 ppm1 1.848 ppm2 1.079 CV 1 ASSI { 3089} ( segid " " and resid 1109 and name HG2%) (( segid " " and resid 1109 and name HG12)) 2.800 1.000 1.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.26707E-02 ppm1 0.736 ppm2 1.083 CV 1 ASSI { 3091} ( segid " " and resid 1109 and name HG2%) (( segid " " and resid 1109 and name HB )) 2.300 0.700 0.700 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.79022E-02 ppm1 0.736 ppm2 1.850 CV 1 ASSI { 3092} ( segid " " and resid 1109 and name HG2%) (( segid " " and resid 1109 and name HG13)) 3.100 1.200 1.200 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 0.735 ppm2 1.673 CV 1 ASSI { 3093} (( segid " " and resid 1109 and name HB )) (( segid " " and resid 1109 and name HA )) 2.900 1.000 1.000 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.22233E-02 ppm1 1.849 ppm2 3.749 CV 1 ASSI { 3094} ( segid " " and resid 1109 and name HG2%) (( segid " " and resid 1109 and name HA )) 2.500 0.800 0.800 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.65046E-02 ppm1 0.736 ppm2 3.744 CV 1 ASSI { 3096} ( segid " " and resid 1106 and name HD2%) (( segid " " and resid 1189 and name H )) 3.300 1.400 1.400 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 0.773 ppm2 8.540 CV 1 ASSI { 3098} ( segid " " and resid 1106 and name HD2%) (( segid " " and resid 1106 and name HA )) 2.500 0.800 0.800 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.67833E-02 ppm1 0.771 ppm2 3.756 CV 1 ASSI { 3099} ( segid " " and resid 1106 and name HD2%) (( segid " " and resid 1106 and name HB2 )) 2.400 0.700 0.700 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.12021E-01 ppm1 0.773 ppm2 1.492 CV 1 ASSI { 3100} ( segid " " and resid 1106 and name HD2%) ( segid " " and resid 1189 and name HB% ) 2.200 0.600 0.600 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.11918E-01 ppm1 0.773 ppm2 1.410 CV 1 ASSI { 3101} ( segid " " and resid 1106 and name HD2%) (( segid " " and resid 1106 and name HG )) 2.200 0.600 0.600 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.91892E-02 ppm1 0.773 ppm2 1.811 CV 1 ASSI { 3105} (( segid " " and resid 1061 and name HA )) (( segid " " and resid 1064 and name H )) 3.100 1.200 1.200 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.13353E-02 ppm1 3.841 ppm2 8.416 CV 1 ASSI { 3107} (( segid " " and resid 1122 and name HD3 )) (( segid " " and resid 1122 and name HA )) 3.400 1.500 1.500 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 3.097 ppm2 3.888 CV 1 ASSI { 3109} (( segid " " and resid 1122 and name HA )) (( segid " " and resid 1122 and name HD2 )) 3.700 1.700 1.700 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.79157E-03 ppm1 3.893 ppm2 3.127 CV 1 ASSI { 3110} (( segid " " and resid 1122 and name HG3 )) (( segid " " and resid 1122 and name HD2 )) 2.500 0.800 0.800 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.33693E-02 ppm1 1.486 ppm2 3.123 CV 1 ASSI { 3111} (( segid " " and resid 1122 and name HG3 )) (( segid " " and resid 1122 and name HB2 )) 2.800 1.000 1.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 1.489 ppm2 2.239 CV 1 ASSI { 3112} (( segid " " and resid 1122 and name HG3 )) (( segid " " and resid 1122 and name HB3 )) 3.000 1.100 1.100 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.21407E-02 ppm1 1.485 ppm2 1.996 CV 1 ASSI { 3113} (( segid " " and resid 1122 and name HD3 )) (( segid " " and resid 1122 and name HB2 )) 3.100 1.200 1.200 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.14455E-02 ppm1 3.097 ppm2 2.247 CV 1 ASSI { 3114} (( segid " " and resid 1122 and name HD2 )) (( segid " " and resid 1122 and name HB2 )) 3.000 1.200 1.200 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.15900E-02 ppm1 3.151 ppm2 2.238 CV 1 ASSI { 3115} (( segid " " and resid 1122 and name HD3 )) (( segid " " and resid 1122 and name HB3 )) 3.000 1.100 1.100 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.19204E-02 ppm1 3.098 ppm2 1.998 CV 1 ASSI { 3116} (( segid " " and resid 1122 and name HB2 )) (( segid " " and resid 1122 and name HB3 )) 2.300 0.600 0.600 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.28222E-02 ppm1 2.246 ppm2 2.005 CV 1 ASSI { 3117} (( segid " " and resid 1122 and name HD3 )) (( segid " " and resid 1122 and name HG2 )) 2.600 0.800 0.800 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.28910E-02 ppm1 3.097 ppm2 1.769 CV 1 ASSI { 3118} (( segid " " and resid 1122 and name HD3 )) (( segid " " and resid 1122 and name HG3 )) 2.900 1.000 1.000 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 3.095 ppm2 1.487 CV 1 ASSI { 3121} (( segid " " and resid 1130 and name HA )) (( segid " " and resid 1133 and name HB2 )) 3.100 1.200 1.200 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.93959E-03 ppm1 4.157 ppm2 2.058 CV 1 ASSI { 3127} (( segid " " and resid 1136 and name HB3 )) (( segid " " and resid 1136 and name HD3 )) 3.800 1.800 1.800 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.60918E-03 ppm1 1.856 ppm2 3.130 CV 1 ASSI { 3128} (( segid " " and resid 1136 and name HG2 )) (( segid " " and resid 1136 and name HD3 )) 3.200 1.300 1.300 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.77090E-03 ppm1 1.680 ppm2 3.122 CV 1 ASSI { 3138} (( segid " " and resid 1159 and name HG )) (( segid " " and resid 1159 and name HB3 )) 3.200 1.300 1.300 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.71932E-03 ppm1 1.975 ppm2 1.356 CV 1 ASSI { 3141} (( segid " " and resid 1170 and name HA )) (( segid " " and resid 1170 and name H )) 2.700 0.900 0.900 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.28600E-02 ppm1 3.866 ppm2 8.297 CV 1 ASSI { 3142} (( segid " " and resid 1170 and name HE2 )) ( segid " " and resid 1054 and name HD2%) 2.900 1.100 1.100 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.87764E-03 ppm1 2.839 ppm2 0.882 CV 1 OR { 3142} (( segid " " and resid 1170 and name HE3 )) ( segid " " and resid 1054 and name HD2%) ASSI { 3143} (( segid " " and resid 1170 and name HE3 )) (( segid " " and resid 1170 and name HD3 )) 2.400 0.700 0.700 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.55651E-02 ppm1 2.841 ppm2 1.548 CV 1 OR { 3143} (( segid " " and resid 1170 and name HE2 )) (( segid " " and resid 1170 and name HD2 )) OR { 3143} (( segid " " and resid 1170 and name HE3 )) (( segid " " and resid 1170 and name HD2 )) OR { 3143} (( segid " " and resid 1170 and name HE2 )) (( segid " " and resid 1170 and name HD3 )) ASSI { 3144} (( segid " " and resid 1170 and name HE2 )) (( segid " " and resid 1170 and name HB3 )) 3.100 1.200 1.200 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 2.830 ppm2 1.947 CV 1 OR { 3144} (( segid " " and resid 1170 and name HE3 )) (( segid " " and resid 1170 and name HB3 )) ASSI { 3145} (( segid " " and resid 1170 and name HE2 )) (( segid " " and resid 1170 and name HB2 )) 3.300 1.400 1.400 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 2.829 ppm2 1.850 CV 1 OR { 3145} (( segid " " and resid 1170 and name HE3 )) (( segid " " and resid 1170 and name HB2 )) ASSI { 3146} (( segid " " and resid 1170 and name HE3 )) (( segid " " and resid 1170 and name HG3 )) 3.200 1.300 1.300 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.15900E-02 ppm1 2.839 ppm2 1.309 CV 1 OR { 3146} (( segid " " and resid 1170 and name HE2 )) (( segid " " and resid 1170 and name HG3 )) ASSI { 3147} (( segid " " and resid 1171 and name HE3 )) (( segid " " and resid 1171 and name H )) 3.300 1.400 1.400 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 2.842 ppm2 7.415 CV 1 ASSI { 3149} (( segid " " and resid 1183 and name HG3 )) (( segid " " and resid 1183 and name H )) 2.800 1.000 1.000 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.42022E-02 ppm1 2.360 ppm2 8.037 CV 1 ASSI { 3151} ( segid " " and resid 1097 and name HB% ) (( segid " " and resid 1096 and name H )) 3.700 1.700 1.700 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.17518E-02 ppm1 1.501 ppm2 7.228 CV 1 ASSI { 3152} (( segid " " and resid 1061 and name HA )) (( segid " " and resid 1062 and name H )) 3.100 1.200 1.200 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 3.843 ppm2 7.411 CV 1 ASSI { 3153} (( segid " " and resid 1075 and name HG3 )) (( segid " " and resid 1070 and name HA )) 3.300 1.400 1.400 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.11942E-02 ppm1 1.306 ppm2 4.007 CV 1 ASSI { 3154} (( segid " " and resid 1085 and name HG3 )) (( segid " " and resid 1085 and name H )) 3.100 1.200 1.200 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.17139E-02 ppm1 2.260 ppm2 9.150 CV 1 ASSI { 3155} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1141 and name HB2 )) 2.300 0.600 0.600 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.62809E-02 ppm1 1.996 ppm2 1.534 CV 1 ASSI { 3156} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1142 and name HA )) 2.400 0.700 0.700 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.78917E-02 ppm1 1.996 ppm2 4.219 CV 1 ASSI { 3157} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1142 and name HB )) 2.400 0.700 0.700 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.48320E-02 ppm1 1.997 ppm2 4.081 CV 1 ASSI { 3158} ( segid " " and resid 1084 and name HE% ) (( segid " " and resid 1138 and name HA )) 2.400 0.700 0.700 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.64185E-02 ppm1 1.996 ppm2 3.474 CV 1 ASSI { 3159} ( segid " " and resid 1084 and name HE% ) ( segid " " and resid 1138 and name HG2%) 2.800 1.000 1.000 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.46703E-02 ppm1 1.997 ppm2 0.911 CV 1 ASSI { 3160} ( segid " " and resid 1084 and name HE% ) ( segid " " and resid 1141 and name HD2%) 3.100 1.200 1.200 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.69384E-02 ppm1 1.997 ppm2 0.841 CV 1 ASSI { 3161} ( segid " " and resid 1084 and name HE% ) ( segid " " and resid 1138 and name HG1%) 2.300 0.600 0.600 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.88314E-02 ppm1 1.996 ppm2 0.754 CV 1 ASSI { 3162} ( segid " " and resid 1084 and name HE% ) ( segid " " and resid 1141 and name HD1%) 2.800 0.900 0.900 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.57372E-02 ppm1 1.996 ppm2 0.655 CV 1 ASSI { 3164} (( segid " " and resid 1048 and name HB3 )) (( segid " " and resid 1048 and name HA )) 2.700 0.900 0.900 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.24814E-02 ppm1 1.590 ppm2 4.226 CV 1 ASSI { 3165} (( segid " " and resid 1048 and name HA )) (( segid " " and resid 1048 and name HB2 )) 2.800 0.900 0.900 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.45464E-02 ppm1 4.229 ppm2 1.683 CV 1 ASSI { 3166} (( segid " " and resid 1048 and name HA )) (( segid " " and resid 1048 and name HB3 )) 2.400 0.700 0.700 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.47976E-02 ppm1 4.227 ppm2 1.597 CV 1 OR { 3166} (( segid " " and resid 1048 and name HA )) (( segid " " and resid 1048 and name HG )) ASSI { 3167} (( segid " " and resid 1048 and name HA )) ( segid " " and resid 1048 and name HD2%) 2.600 0.800 0.800 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.44638E-02 ppm1 4.227 ppm2 0.821 CV 1 ASSI { 3169} ( segid " " and resid 1048 and name HD1%) (( segid " " and resid 1048 and name HA )) 3.300 1.400 1.400 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.30975E-02 ppm1 0.861 ppm2 4.226 CV 1 ASSI { 3171} (( segid " " and resid 1062 and name HA )) (( segid " " and resid 1064 and name H )) 3.300 1.300 1.300 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.12975E-02 ppm1 3.942 ppm2 8.393 CV 1 ASSI { 1} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1203 and name HG )) 3.300 1.300 1.300 peak 1 spectrum 1 weight 0.10000E+01 volume 0.18572E-02 ppm1 7.427 ppm2 2.009 CV 1 ASSI { 3} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1202 and name HB3 )) 2.600 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.37683E-02 ppm1 7.426 ppm2 2.896 CV 1 OR { 3} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1202 and name HB2 )) ASSI { 5} (( segid " " and resid 1202 and name H )) ( segid " " and resid 1200 and name HG2%) 3.000 3.000 3.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.82816E-03 ppm1 7.428 ppm2 0.944 CV 1 ASSI { 6} (( segid " " and resid 1202 and name H )) ( segid " " and resid 1203 and name HD2%) 4.000 2.000 2.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.86341E-03 ppm1 7.428 ppm2 0.846 CV 1 ASSI { 8} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1201 and name HA )) 3.000 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.25363E-02 ppm1 7.426 ppm2 4.278 CV 1 ASSI { 9} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1199 and name HA )) 3.400 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.66878E-03 ppm1 7.426 ppm2 4.186 CV 1 ASSI { 10} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1203 and name H )) 2.500 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.47372E-02 ppm1 7.426 ppm2 7.132 CV 1 ASSI { 11} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1201 and name H )) 2.500 0.800 0.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.39816E-02 ppm1 7.426 ppm2 7.854 CV 1 ASSI { 13} (( segid " " and resid 1203 and name H )) (( segid " " and resid 1201 and name H )) 3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.55489E-03 ppm1 7.132 ppm2 7.850 CV 1 ASSI { 15} (( segid " " and resid 1203 and name H )) (( segid " " and resid 1203 and name HA )) 2.500 0.800 0.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.38987E-02 ppm1 7.134 ppm2 4.290 CV 1 ASSI { 16} (( segid " " and resid 1203 and name H )) (( segid " " and resid 1200 and name HA )) 3.600 1.600 1.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.11760E-02 ppm1 7.134 ppm2 3.803 CV 1 ASSI { 17} (( segid " " and resid 1203 and name H )) (( segid " " and resid 1203 and name HB2 )) 2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.47580E-02 ppm1 7.134 ppm2 1.737 CV 1 ASSI { 18} (( segid " " and resid 1203 and name H )) (( segid " " and resid 1203 and name HB3 )) 3.300 1.400 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.31181E-02 ppm1 7.133 ppm2 1.408 CV 1 ASSI { 21} (( segid " " and resid 1203 and name H )) (( segid " " and resid 1203 and name HG )) 2.200 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.71164E-02 ppm1 7.134 ppm2 2.012 CV 1 ASSI { 22} (( segid " " and resid 1205 and name H )) (( segid " " and resid 1205 and name HA3 )) 2.300 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.81019E-02 ppm1 8.428 ppm2 3.875 CV 1 OR { 22} (( segid " " and resid 1205 and name H )) (( segid " " and resid 1205 and name HA2 )) ASSI { 23} (( segid " " and resid 1205 and name H )) (( segid " " and resid 1204 and name HA )) 2.000 0.500 0.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.14781E-01 ppm1 8.428 ppm2 4.381 CV 1 ASSI { 24} (( segid " " and resid 1205 and name H )) (( segid " " and resid 1204 and name HB3 )) 3.400 1.400 1.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 8.428 ppm2 2.230 CV 1 ASSI { 25} (( segid " " and resid 1205 and name H )) (( segid " " and resid 1204 and name HG2 )) 3.200 3.200 2.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.54661E-03 ppm1 8.429 ppm2 2.006 CV 1 ASSI { 26} (( segid " " and resid 1205 and name H )) (( segid " " and resid 1204 and name HB2 )) 3.100 1.200 1.200 peak 26 spectrum 1 weight 0.10000E+01 volume 0.23748E-02 ppm1 8.428 ppm2 1.909 CV 1 ASSI { 28} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1205 and name H )) 2.900 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.20663E-02 ppm1 8.085 ppm2 8.430 CV 1 ASSI { 29} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1207 and name H )) 3.500 1.600 1.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 8.087 ppm2 7.951 CV 1 ASSI { 30} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1206 and name HA )) 2.500 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.48594E-02 ppm1 8.083 ppm2 4.258 CV 1 ASSI { 31} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1205 and name HA2 )) 2.600 0.800 0.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.47890E-02 ppm1 8.085 ppm2 3.874 CV 1 ASSI { 32} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1206 and name HG2 )) 3.500 1.600 1.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.91722E-03 ppm1 8.085 ppm2 2.318 CV 1 ASSI { 34} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1206 and name HB2 )) 2.700 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.30519E-02 ppm1 8.085 ppm2 2.070 CV 1 ASSI { 35} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1206 and name HB3 )) 2.600 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.73542E-02 ppm1 8.085 ppm2 1.928 CV 1 ASSI { 36} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1207 and name HB2 )) 3.000 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.21781E-02 ppm1 7.949 ppm2 1.638 CV 1 ASSI { 37} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1207 and name HG2 )) 2.600 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.40519E-02 ppm1 7.951 ppm2 1.500 CV 1 ASSI { 38} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1207 and name HA )) 2.700 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.32942E-02 ppm1 7.945 ppm2 4.109 CV 1 ASSI { 40} (( segid " " and resid 1045 and name H )) (( segid " " and resid 1044 and name H )) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.29981E-02 ppm1 7.912 ppm2 8.310 CV 1 ASSI { 41} (( segid " " and resid 1045 and name H )) (( segid " " and resid 1046 and name H )) 2.600 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.38221E-02 ppm1 7.912 ppm2 8.115 CV 1 ASSI { 42} (( segid " " and resid 1045 and name H )) (( segid " " and resid 1044 and name HA )) 2.300 0.700 0.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.77500E-02 ppm1 7.913 ppm2 4.645 CV 1 ASSI { 43} (( segid " " and resid 1045 and name H )) (( segid " " and resid 1045 and name HA )) 2.600 0.800 0.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.43708E-02 ppm1 7.912 ppm2 4.237 CV 1 ASSI { 44} (( segid " " and resid 1045 and name H )) (( segid " " and resid 1044 and name HB2 )) 3.500 1.600 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.11946E-02 ppm1 7.911 ppm2 3.130 CV 1 ASSI { 45} (( segid " " and resid 1045 and name H )) (( segid " " and resid 1044 and name HB3 )) 3.600 1.600 1.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.97314E-03 ppm1 7.912 ppm2 3.019 CV 1 ASSI { 46} (( segid " " and resid 1045 and name H )) ( segid " " and resid 1045 and name HG2%) 2.600 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.43625E-02 ppm1 7.913 ppm2 1.118 CV 1 ASSI { 47} (( segid " " and resid 1046 and name H )) ( segid " " and resid 1045 and name HG2%) 3.600 1.700 1.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 8.114 ppm2 1.119 CV 1 ASSI { 48} (( segid " " and resid 1046 and name H )) (( segid " " and resid 1045 and name HA )) 2.500 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.51658E-02 ppm1 8.115 ppm2 4.235 CV 1 ASSI { 49} (( segid " " and resid 1046 and name H )) (( segid " " and resid 1046 and name HA2 )) 2.400 0.700 0.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.58593E-02 ppm1 8.115 ppm2 3.929 CV 1 ASSI { 50} (( segid " " and resid 1046 and name H )) (( segid " " and resid 1047 and name HD2 )) 3.100 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 8.115 ppm2 3.573 CV 1 ASSI { 51} (( segid " " and resid 1046 and name H )) (( segid " " and resid 1047 and name HD3 )) 2.900 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.18614E-02 ppm1 8.113 ppm2 3.482 CV 1 ASSI { 54} (( segid " " and resid 1050 and name H )) (( segid " " and resid 1050 and name HA )) 2.900 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.19007E-02 ppm1 8.429 ppm2 3.942 CV 1 ASSI { 55} (( segid " " and resid 1050 and name H )) (( segid " " and resid 1050 and name HB2 )) 2.800 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13707E-02 ppm1 8.429 ppm2 1.731 CV 1 ASSI { 56} (( segid " " and resid 1050 and name H )) (( segid " " and resid 1050 and name HG2 )) 3.700 1.700 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 8.429 ppm2 2.582 CV 1 ASSI { 57} (( segid " " and resid 1050 and name H )) (( segid " " and resid 1050 and name HG3 )) 3.000 1.200 1.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 8.431 ppm2 2.374 CV 1 ASSI { 58} (( segid " " and resid 1050 and name H )) (( segid " " and resid 1050 and name HB3 )) 3.900 1.900 1.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15591E-02 ppm1 8.429 ppm2 2.150 CV 1 ASSI { 59} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1050 and name HB2 )) 3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.11429E-02 ppm1 7.775 ppm2 1.726 CV 1 ASSI { 60} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1048 and name HB3 )) 3.400 1.400 1.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.83232E-03 ppm1 7.775 ppm2 1.571 CV 1 ASSI { 61} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1051 and name HB3 )) 2.900 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.26730E-02 ppm1 7.776 ppm2 2.658 CV 1 ASSI { 62} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1051 and name HB2 )) 2.700 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.25964E-02 ppm1 7.777 ppm2 2.571 CV 1 ASSI { 63} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1050 and name HB3 )) 3.700 1.700 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.10705E-02 ppm1 7.776 ppm2 2.147 CV 1 ASSI { 64} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1048 and name HA )) 3.500 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.76610E-03 ppm1 7.777 ppm2 4.215 CV 1 ASSI { 65} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1050 and name HA )) 3.300 1.300 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.11822E-02 ppm1 7.776 ppm2 3.937 CV 1 ASSI { 66} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1051 and name HA )) 2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.24639E-02 ppm1 7.776 ppm2 4.377 CV 1 ASSI { 67} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1050 and name H )) 2.900 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 7.776 ppm2 8.429 CV 1 ASSI { 68} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1052 and name H )) 2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.20001E-02 ppm1 7.776 ppm2 8.209 CV 1 ASSI { 69} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1053 and name H )) 2.700 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.25115E-02 ppm1 8.210 ppm2 7.982 CV 1 ASSI { 71} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1051 and name HA )) 3.400 1.400 1.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.11160E-02 ppm1 8.209 ppm2 4.374 CV 1 ASSI { 72} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1052 and name HA )) 2.700 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.32134E-02 ppm1 8.210 ppm2 4.179 CV 1 ASSI { 73} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1052 and name HB2 )) 2.600 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.36896E-02 ppm1 8.210 ppm2 3.937 CV 1 ASSI { 74} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1052 and name HB3 )) 2.900 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.27496E-02 ppm1 8.210 ppm2 3.882 CV 1 ASSI { 75} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1051 and name HB3 )) 2.900 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.17371E-02 ppm1 8.210 ppm2 2.661 CV 1 ASSI { 76} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1051 and name HB2 )) 3.400 1.500 1.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 8.210 ppm2 2.566 CV 1 ASSI { 78} (( segid " " and resid 1053 and name H )) ( segid " " and resid 1053 and name HB% ) 2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.55406E-02 ppm1 7.982 ppm2 1.355 CV 1 ASSI { 79} (( segid " " and resid 1053 and name H )) ( segid " " and resid 1125 and name HB% ) 4.100 2.100 1.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 7.982 ppm2 1.476 CV 1 ASSI { 80} (( segid " " and resid 1053 and name H )) (( segid " " and resid 1052 and name HA )) 3.400 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 7.983 ppm2 4.180 CV 1 ASSI { 82} (( segid " " and resid 1053 and name H )) (( segid " " and resid 1052 and name HB3 )) 3.000 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.19856E-02 ppm1 7.983 ppm2 3.893 CV 1 ASSI { 85} (( segid " " and resid 1054 and name H )) (( segid " " and resid 1053 and name HA )) 3.100 1.200 1.200 peak 85 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 7.978 ppm2 3.950 CV 1 ASSI { 90} (( segid " " and resid 1054 and name H )) (( segid " " and resid 1054 and name HG )) 3.800 1.800 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 7.977 ppm2 1.499 CV 1 ASSI { 91} (( segid " " and resid 1054 and name H )) ( segid " " and resid 1053 and name HB% ) 2.900 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.23355E-02 ppm1 7.977 ppm2 1.356 CV 1 ASSI { 94} (( segid " " and resid 1055 and name H )) (( segid " " and resid 1054 and name HB2 )) 3.700 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 7.820 ppm2 1.574 CV 1 ASSI { 95} (( segid " " and resid 1055 and name H )) (( segid " " and resid 1054 and name HG )) 3.400 1.400 1.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 7.821 ppm2 1.500 CV 1 ASSI { 96} (( segid " " and resid 1055 and name H )) (( segid " " and resid 1054 and name HB3 )) 2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.21844E-02 ppm1 7.820 ppm2 1.882 CV 1 ASSI { 97} (( segid " " and resid 1055 and name H )) (( segid " " and resid 1055 and name HA )) 2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.54392E-02 ppm1 7.819 ppm2 4.189 CV 1 ASSI { 99} (( segid " " and resid 1055 and name H )) (( segid " " and resid 1054 and name H )) 2.600 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 7.819 ppm2 7.979 CV 1 ASSI { 100} (( segid " " and resid 1055 and name H )) (( segid " " and resid 1056 and name H )) 2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.24515E-02 ppm1 7.820 ppm2 7.897 CV 1 ASSI { 101} (( segid " " and resid 1056 and name H )) (( segid " " and resid 1056 and name HA )) 2.800 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.23604E-02 ppm1 7.904 ppm2 3.625 CV 1 ASSI { 102} (( segid " " and resid 1056 and name H )) (( segid " " and resid 1055 and name HB3 )) 2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.32652E-02 ppm1 7.904 ppm2 3.962 CV 1 OR { 102} (( segid " " and resid 1056 and name H )) (( segid " " and resid 1055 and name HB2 )) ASSI { 103} (( segid " " and resid 1056 and name H )) (( segid " " and resid 1055 and name HA )) 3.300 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 7.903 ppm2 4.188 CV 1 ASSI { 104} (( segid " " and resid 1056 and name H )) (( segid " " and resid 1056 and name HB )) 2.700 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.30788E-02 ppm1 7.904 ppm2 2.282 CV 1 ASSI { 105} (( segid " " and resid 1056 and name H )) ( segid " " and resid 1056 and name HG2%) 2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.48594E-02 ppm1 7.904 ppm2 1.017 CV 1 ASSI { 108} (( segid " " and resid 1160 and name H )) ( segid " " and resid 1159 and name HD1%) 3.000 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.14618E-02 ppm1 8.030 ppm2 0.867 CV 1 ASSI { 109} (( segid " " and resid 1160 and name H )) ( segid " " and resid 1159 and name HD2%) 3.600 1.600 1.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.23314E-02 ppm1 8.031 ppm2 0.810 CV 1 ASSI { 111} (( segid " " and resid 1057 and name H )) (( segid " " and resid 1056 and name HB )) 3.000 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 8.031 ppm2 2.281 CV 1 ASSI { 113} (( segid " " and resid 1160 and name H )) (( segid " " and resid 1159 and name HB2 )) 3.500 1.500 1.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.12154E-02 ppm1 8.034 ppm2 2.031 CV 1 ASSI { 115} (( segid " " and resid 1057 and name H )) (( segid " " and resid 1053 and name HA )) 3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12589E-02 ppm1 8.034 ppm2 3.967 CV 1 ASSI { 116} (( segid " " and resid 1057 and name H )) (( segid " " and resid 1054 and name HA )) 3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.11946E-02 ppm1 8.034 ppm2 3.921 CV 1 ASSI { 117} (( segid " " and resid 1160 and name H )) (( segid " " and resid 1159 and name HA )) 3.400 1.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.75989E-03 ppm1 8.035 ppm2 3.807 CV 1 ASSI { 118} (( segid " " and resid 1057 and name H )) (( segid " " and resid 1056 and name HA )) 4.000 2.000 2.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.37062E-03 ppm1 8.034 ppm2 3.622 CV 1 ASSI { 120} (( segid " " and resid 1160 and name H )) (( segid " " and resid 1160 and name HA )) 2.600 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.42383E-02 ppm1 8.013 ppm2 4.299 CV 1 ASSI { 122} (( segid " " and resid 1160 and name H )) (( segid " " and resid 1157 and name HA )) 3.100 1.200 1.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.15922E-02 ppm1 8.035 ppm2 4.501 CV 1 ASSI { 123} (( segid " " and resid 1160 and name H )) (( segid " " and resid 1158 and name H )) 2.900 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 8.012 ppm2 7.675 CV 1 ASSI { 124} (( segid " " and resid 1160 and name H )) (( segid " " and resid 1159 and name H )) 2.800 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17413E-02 ppm1 8.035 ppm2 7.535 CV 1 ASSI { 125} (( segid " " and resid 1057 and name H )) (( segid " " and resid 1056 and name H )) 3.000 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11864E-02 ppm1 8.031 ppm2 7.914 CV 1 ASSI { 127} (( segid " " and resid 1160 and name H )) (( segid " " and resid 1161 and name H )) 2.800 1.000 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.19297E-02 ppm1 8.033 ppm2 8.200 CV 1 ASSI { 129} (( segid " " and resid 1058 and name H )) (( segid " " and resid 1057 and name H )) 3.000 1.100 1.100 peak 129 spectrum 1 weight 0.10000E+01 volume 0.12630E-02 ppm1 8.599 ppm2 8.030 CV 1 ASSI { 134} (( segid " " and resid 1058 and name H )) (( segid " " and resid 1058 and name HB3 )) 3.400 1.400 1.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.31264E-02 ppm1 8.601 ppm2 2.187 CV 1 ASSI { 137} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1058 and name HB2 )) 2.800 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 8.148 ppm2 1.938 CV 1 ASSI { 138} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1058 and name HB3 )) 3.400 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.19753E-02 ppm1 8.147 ppm2 2.206 CV 1 ASSI { 139} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1059 and name HB3 )) 3.200 1.300 1.300 peak 139 spectrum 1 weight 0.10000E+01 volume 0.41347E-02 ppm1 8.147 ppm2 2.954 CV 1 ASSI { 141} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1056 and name HA )) 3.200 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.11305E-02 ppm1 8.146 ppm2 3.624 CV 1 ASSI { 143} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1058 and name HA )) 3.200 1.300 1.300 peak 143 spectrum 1 weight 0.10000E+01 volume 0.12402E-02 ppm1 8.147 ppm2 4.145 CV 1 ASSI { 144} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1059 and name HD21)) 3.400 1.500 1.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.99381E-03 ppm1 8.148 ppm2 7.428 CV 1 ASSI { 145} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1058 and name H )) 2.700 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.22568E-02 ppm1 8.147 ppm2 8.604 CV 1 ASSI { 146} (( segid " " and resid 1059 and name H )) (( segid " " and resid 1060 and name H )) 2.700 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.22237E-02 ppm1 8.147 ppm2 8.368 CV 1 ASSI { 147} (( segid " " and resid 1060 and name H )) (( segid " " and resid 1061 and name H )) 2.900 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16067E-02 ppm1 8.369 ppm2 8.224 CV 1 ASSI { 153} (( segid " " and resid 1060 and name H )) (( segid " " and resid 1060 and name HB3 )) 3.500 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.17557E-02 ppm1 8.369 ppm2 2.235 CV 1 ASSI { 154} (( segid " " and resid 1060 and name H )) (( segid " " and resid 1060 and name HG )) 2.700 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.25073E-02 ppm1 8.368 ppm2 2.025 CV 1 ASSI { 155} (( segid " " and resid 1060 and name H )) (( segid " " and resid 1060 and name HB2 )) 2.900 1.100 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11822E-02 ppm1 8.370 ppm2 1.164 CV 1 ASSI { 156} (( segid " " and resid 1060 and name H )) ( segid " " and resid 1057 and name HG1%) 3.900 1.900 1.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.79508E-03 ppm1 8.369 ppm2 0.957 CV 1 OR { 156} (( segid " " and resid 1060 and name H )) ( segid " " and resid 1057 and name HG2%) ASSI { 159} (( segid " " and resid 1061 and name H )) (( segid " " and resid 1060 and name HB2 )) 3.400 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.44930E-03 ppm1 8.234 ppm2 1.166 CV 1 ASSI { 163} (( segid " " and resid 1061 and name H )) (( segid " " and resid 1060 and name HB3 )) 2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.55385E-02 ppm1 8.221 ppm2 2.225 CV 1 ASSI { 164} (( segid " " and resid 1061 and name H )) (( segid " " and resid 1061 and name HB3 )) 2.600 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 8.221 ppm2 2.111 CV 1 ASSI { 170} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1063 and name H )) 2.600 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.32217E-02 ppm1 7.422 ppm2 8.276 CV 1 ASSI { 171} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1062 and name HA )) 2.500 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.39588E-02 ppm1 7.423 ppm2 3.986 CV 1 ASSI { 175} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1061 and name HB2 )) 3.100 1.200 1.200 peak 175 spectrum 1 weight 0.10000E+01 volume 0.28718E-02 ppm1 7.422 ppm2 2.223 CV 1 ASSI { 185} (( segid " " and resid 1063 and name H )) (( segid " " and resid 1063 and name HB3 )) 3.300 1.300 1.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.36751E-02 ppm1 8.275 ppm2 2.905 CV 1 ASSI { 187} (( segid " " and resid 1063 and name H )) (( segid " " and resid 1060 and name HA )) 2.900 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.21885E-02 ppm1 8.274 ppm2 4.161 CV 1 ASSI { 191} (( segid " " and resid 1063 and name H )) (( segid " " and resid 1064 and name H )) 2.700 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.26979E-02 ppm1 8.275 ppm2 8.407 CV 1 ASSI { 193} (( segid " " and resid 1064 and name H )) (( segid " " and resid 1065 and name H )) 2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 8.411 ppm2 7.848 CV 1 ASSI { 197} (( segid " " and resid 1064 and name H )) (( segid " " and resid 1063 and name HB3 )) 3.400 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.15984E-02 ppm1 8.411 ppm2 2.903 CV 1 ASSI { 201} (( segid " " and resid 1064 and name H )) (( segid " " and resid 1064 and name HB3 )) 3.300 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.32175E-02 ppm1 8.411 ppm2 1.600 CV 1 ASSI { 205} (( segid " " and resid 1065 and name H )) ( segid " " and resid 1064 and name HD2%) 4.100 2.100 1.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.81370E-03 ppm1 7.849 ppm2 0.821 CV 1 ASSI { 207} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1065 and name HB2 )) 2.400 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.37620E-02 ppm1 7.848 ppm2 2.286 CV 1 ASSI { 208} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1065 and name HB3 )) 3.400 1.400 1.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.33397E-02 ppm1 7.848 ppm2 2.157 CV 1 ASSI { 209} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1064 and name HB2 )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 7.848 ppm2 1.845 CV 1 ASSI { 210} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1064 and name HB3 )) 3.400 1.500 1.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.17557E-02 ppm1 7.848 ppm2 1.595 CV 1 ASSI { 211} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1065 and name HA )) 2.400 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.54785E-02 ppm1 7.848 ppm2 3.979 CV 1 ASSI { 212} (( segid " " and resid 1065 and name H )) (( segid " " and resid 1066 and name H )) 2.600 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.29173E-02 ppm1 7.848 ppm2 7.687 CV 1 ASSI { 215} (( segid " " and resid 1066 and name H )) (( segid " " and resid 1067 and name H )) 2.700 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 7.685 ppm2 8.291 CV 1 ASSI { 221} (( segid " " and resid 1066 and name H )) (( segid " " and resid 1066 and name HG3 )) 2.200 0.600 0.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.65139E-02 ppm1 7.686 ppm2 2.212 CV 1 OR { 221} (( segid " " and resid 1066 and name H )) (( segid " " and resid 1066 and name HB2 )) ASSI { 227} (( segid " " and resid 1067 and name H )) (( segid " " and resid 1066 and name HB2 )) 2.800 1.000 1.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.18220E-02 ppm1 8.294 ppm2 2.211 CV 1 OR { 227} (( segid " " and resid 1067 and name H )) (( segid " " and resid 1066 and name HG3 )) ASSI { 228} (( segid " " and resid 1067 and name H )) (( segid " " and resid 1066 and name HB3 )) 3.700 1.700 1.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.11429E-02 ppm1 8.295 ppm2 2.122 CV 1 ASSI { 229} (( segid " " and resid 1067 and name H )) (( segid " " and resid 1067 and name HB )) 2.700 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.22444E-02 ppm1 8.294 ppm2 2.023 CV 1 ASSI { 230} (( segid " " and resid 1067 and name H )) (( segid " " and resid 1066 and name HA )) 3.500 1.500 1.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.78472E-03 ppm1 8.294 ppm2 4.112 CV 1 ASSI { 231} (( segid " " and resid 1067 and name H )) (( segid " " and resid 1064 and name HA )) 3.000 1.200 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.14286E-02 ppm1 8.294 ppm2 4.024 CV 1 ASSI { 235} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1067 and name H )) 2.900 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.15529E-02 ppm1 8.481 ppm2 8.295 CV 1 ASSI { 237} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1065 and name HA )) 3.300 1.300 1.300 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11160E-02 ppm1 8.481 ppm2 3.963 CV 1 ASSI { 239} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1067 and name HB )) 2.900 1.100 1.100 peak 239 spectrum 1 weight 0.10000E+01 volume 0.15218E-02 ppm1 8.481 ppm2 2.023 CV 1 ASSI { 241} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1067 and name HG12)) 3.200 3.200 2.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.55282E-03 ppm1 8.481 ppm2 1.678 CV 1 ASSI { 242} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1068 and name HG2 )) 3.600 1.600 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.18386E-02 ppm1 8.481 ppm2 1.544 CV 1 ASSI { 243} (( segid " " and resid 1068 and name H )) ( segid " " and resid 1069 and name HB% ) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.86751E-03 ppm1 8.481 ppm2 1.438 CV 1 ASSI { 244} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1068 and name HG3 )) 3.900 1.900 1.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.11118E-02 ppm1 8.483 ppm2 1.351 CV 1 ASSI { 246} (( segid " " and resid 1068 and name H )) ( segid " " and resid 1067 and name HD1%) 3.000 3.000 3.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.78472E-03 ppm1 8.481 ppm2 0.724 CV 1 ASSI { 247} (( segid " " and resid 1068 and name H )) ( segid " " and resid 1152 and name HD1%) 3.700 1.700 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.86962E-03 ppm1 8.481 ppm2 0.629 CV 1 ASSI { 248} (( segid " " and resid 1069 and name H )) ( segid " " and resid 1069 and name HB% ) 2.200 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.10421E-01 ppm1 7.532 ppm2 1.434 CV 1 ASSI { 249} (( segid " " and resid 1069 and name H )) ( segid " " and resid 1070 and name HB% ) 3.900 1.900 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 7.531 ppm2 1.323 CV 1 ASSI { 250} (( segid " " and resid 1069 and name H )) (( segid " " and resid 1068 and name HB3 )) 2.600 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.34225E-02 ppm1 7.532 ppm2 1.827 CV 1 OR { 250} (( segid " " and resid 1069 and name H )) (( segid " " and resid 1068 and name HB2 )) ASSI { 251} (( segid " " and resid 1069 and name H )) (( segid " " and resid 1066 and name HA )) 2.900 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 7.532 ppm2 4.105 CV 1 ASSI { 252} (( segid " " and resid 1069 and name H )) (( segid " " and resid 1070 and name HA )) 4.200 2.200 1.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.84889E-03 ppm1 7.531 ppm2 4.019 CV 1 ASSI { 255} (( segid " " and resid 1069 and name H )) (( segid " " and resid 1068 and name H )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.23976E-02 ppm1 7.532 ppm2 8.482 CV 1 ASSI { 256} (( segid " " and resid 1069 and name H )) (( segid " " and resid 1070 and name H )) 2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.37248E-02 ppm1 7.533 ppm2 7.933 CV 1 ASSI { 258} (( segid " " and resid 1070 and name H )) (( segid " " and resid 1071 and name H )) 2.600 0.900 0.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.31451E-02 ppm1 7.935 ppm2 8.603 CV 1 ASSI { 259} (( segid " " and resid 1048 and name H )) (( segid " " and resid 1049 and name H )) 3.000 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 7.921 ppm2 8.407 CV 1 ASSI { 261} (( segid " " and resid 1070 and name H )) (( segid " " and resid 1069 and name HA )) 3.300 1.300 1.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.13209E-02 ppm1 7.934 ppm2 3.934 CV 1 ASSI { 263} (( segid " " and resid 1048 and name H )) (( segid " " and resid 1047 and name HA )) 2.700 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.31347E-02 ppm1 7.919 ppm2 4.295 CV 1 ASSI { 264} (( segid " " and resid 1048 and name H )) (( segid " " and resid 1048 and name HA )) 2.700 0.900 0.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.29132E-02 ppm1 7.919 ppm2 4.230 CV 1 ASSI { 265} (( segid " " and resid 1070 and name H )) ( segid " " and resid 1069 and name HB% ) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.56358E-02 ppm1 7.935 ppm2 1.434 CV 1 ASSI { 267} (( segid " " and resid 1070 and name H )) ( segid " " and resid 1067 and name HG2%) 3.600 1.600 1.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 7.933 ppm2 0.876 CV 1 ASSI { 268} (( segid " " and resid 1048 and name H )) ( segid " " and resid 1048 and name HD1%) 3.600 1.600 1.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.12671E-02 ppm1 7.922 ppm2 0.848 CV 1 ASSI { 269} (( segid " " and resid 1048 and name H )) (( segid " " and resid 1048 and name HG )) 2.700 0.900 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.34287E-02 ppm1 7.922 ppm2 1.609 CV 1 ASSI { 270} (( segid " " and resid 1048 and name H )) (( segid " " and resid 1047 and name HB3 )) 3.600 1.600 1.600 peak 270 spectrum 1 weight 0.10000E+01 volume 0.14452E-02 ppm1 7.922 ppm2 1.892 CV 1 ASSI { 271} (( segid " " and resid 1071 and name H )) ( segid " " and resid 1070 and name HB% ) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.41596E-02 ppm1 8.602 ppm2 1.322 CV 1 ASSI { 274} (( segid " " and resid 1071 and name H )) ( segid " " and resid 1076 and name HD1%) 3.700 1.700 1.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 8.602 ppm2 0.737 CV 1 ASSI { 275} (( segid " " and resid 1071 and name H )) (( segid " " and resid 1071 and name HA )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.50913E-02 ppm1 8.602 ppm2 4.019 CV 1 ASSI { 279} (( segid " " and resid 1072 and name H )) (( segid " " and resid 1073 and name H )) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.37331E-02 ppm1 7.917 ppm2 7.519 CV 1 ASSI { 280} (( segid " " and resid 1072 and name H )) (( segid " " and resid 1071 and name H )) 2.700 0.900 0.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.28117E-02 ppm1 7.917 ppm2 8.604 CV 1 ASSI { 281} (( segid " " and resid 1072 and name H )) (( segid " " and resid 1072 and name HA )) 2.400 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.76112E-02 ppm1 7.917 ppm2 4.020 CV 1 ASSI { 282} (( segid " " and resid 1072 and name H )) (( segid " " and resid 1069 and name HA )) 3.000 1.200 1.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 7.918 ppm2 3.933 CV 1 ASSI { 283} (( segid " " and resid 1072 and name H )) ( segid " " and resid 1070 and name HB% ) 4.100 2.100 1.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.79092E-03 ppm1 7.916 ppm2 1.332 CV 1 ASSI { 289} (( segid " " and resid 1073 and name H )) ( segid " " and resid 1070 and name HB% ) 3.800 1.800 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 7.519 ppm2 1.309 CV 1 ASSI { 291} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1072 and name HB3 )) 2.700 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.19193E-02 ppm1 7.522 ppm2 1.893 CV 1 ASSI { 292} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1072 and name HG2 )) 3.800 1.800 1.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.88619E-03 ppm1 7.521 ppm2 1.570 CV 1 ASSI { 293} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1073 and name HB3 )) 3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.34494E-02 ppm1 7.521 ppm2 2.777 CV 1 ASSI { 294} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1073 and name HB2 )) 2.400 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.45965E-02 ppm1 7.520 ppm2 2.507 CV 1 ASSI { 296} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1073 and name HA )) 2.600 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.40271E-02 ppm1 7.521 ppm2 4.734 CV 1 ASSI { 297} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1075 and name H )) 3.900 1.900 1.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 7.521 ppm2 8.279 CV 1 ASSI { 299} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1074 and name H )) 2.500 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.40167E-02 ppm1 7.520 ppm2 7.825 CV 1 ASSI { 300} (( segid " " and resid 1074 and name H )) (( segid " " and resid 1075 and name H )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.38283E-02 ppm1 7.821 ppm2 8.280 CV 1 ASSI { 302} (( segid " " and resid 1074 and name H )) (( segid " " and resid 1075 and name HA )) 4.800 2.800 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.37269E-03 ppm1 7.820 ppm2 4.356 CV 1 ASSI { 303} (( segid " " and resid 1074 and name H )) (( segid " " and resid 1074 and name HA2 )) 2.200 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.97747E-02 ppm1 7.822 ppm2 4.004 CV 1 OR { 303} (( segid " " and resid 1074 and name H )) (( segid " " and resid 1074 and name HA3 )) ASSI { 304} (( segid " " and resid 1074 and name H )) (( segid " " and resid 1073 and name HB3 )) 3.500 1.600 1.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.72675E-03 ppm1 7.820 ppm2 2.776 CV 1 ASSI { 306} (( segid " " and resid 1074 and name H )) (( segid " " and resid 1075 and name HD2 )) 4.600 2.600 1.400 peak 306 spectrum 1 weight 0.10000E+01 volume 0.45965E-03 ppm1 7.823 ppm2 1.576 CV 1 ASSI { 307} (( segid " " and resid 1074 and name H )) (( segid " " and resid 1075 and name HB2 )) 4.300 2.300 1.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.48863E-03 ppm1 7.823 ppm2 1.480 CV 1 ASSI { 308} (( segid " " and resid 1074 and name H )) ( segid " " and resid 1070 and name HB% ) 3.900 1.900 1.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.82407E-03 ppm1 7.822 ppm2 1.304 CV 1 ASSI { 309} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1075 and name HB3 )) 3.500 1.500 1.500 peak 309 spectrum 1 weight 0.10000E+01 volume 0.21947E-02 ppm1 8.277 ppm2 2.030 CV 1 ASSI { 310} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1076 and name HB3 )) 4.700 2.800 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.48863E-03 ppm1 8.279 ppm2 1.859 CV 1 ASSI { 311} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1075 and name HD2 )) 3.900 1.900 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.84473E-03 ppm1 8.279 ppm2 1.586 CV 1 OR { 311} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1075 and name HD3 )) ASSI { 312} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1075 and name HB2 )) 2.500 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.26606E-02 ppm1 8.277 ppm2 1.477 CV 1 ASSI { 315} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1076 and name HB2 )) 3.700 1.700 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.85510E-03 ppm1 8.277 ppm2 0.891 CV 1 ASSI { 316} (( segid " " and resid 1075 and name H )) (( segid " " and resid 1073 and name HB3 )) 4.000 2.000 2.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.46793E-03 ppm1 8.275 ppm2 2.775 CV 1 ASSI { 322} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1071 and name H )) 4.000 2.000 2.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.45965E-03 ppm1 7.830 ppm2 8.595 CV 1 ASSI { 323} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1077 and name H )) 3.900 1.900 1.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.82611E-03 ppm1 7.832 ppm2 8.467 CV 1 ASSI { 324} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1075 and name H )) 2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.49754E-02 ppm1 7.830 ppm2 8.279 CV 1 ASSI { 325} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1075 and name HA )) 2.900 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.25343E-02 ppm1 7.831 ppm2 4.360 CV 1 ASSI { 326} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1076 and name HA )) 2.700 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 7.830 ppm2 4.272 CV 1 ASSI { 327} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1071 and name HA )) 2.600 0.900 0.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.40146E-02 ppm1 7.831 ppm2 4.017 CV 1 ASSI { 329} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1076 and name HB3 )) 3.000 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.37476E-02 ppm1 7.831 ppm2 1.857 CV 1 ASSI { 330} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1075 and name HD2 )) 3.100 3.100 2.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.65426E-03 ppm1 7.832 ppm2 1.579 CV 1 ASSI { 331} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1075 and name HB2 )) 3.200 1.300 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.90897E-03 ppm1 7.832 ppm2 1.482 CV 1 ASSI { 334} (( segid " " and resid 1076 and name H )) (( segid " " and resid 1076 and name HB2 )) 2.300 0.700 0.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.54143E-02 ppm1 7.830 ppm2 0.888 CV 1 ASSI { 336} (( segid " " and resid 1077 and name H )) (( segid " " and resid 1077 and name HB2 )) 2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.19442E-02 ppm1 8.468 ppm2 1.756 CV 1 ASSI { 337} (( segid " " and resid 1077 and name H )) (( segid " " and resid 1077 and name HB3 )) 3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.29421E-02 ppm1 8.468 ppm2 1.584 CV 1 OR { 337} (( segid " " and resid 1077 and name H )) (( segid " " and resid 1077 and name HD3 )) ASSI { 339} (( segid " " and resid 1077 and name H )) (( segid " " and resid 1077 and name HG3 )) 3.400 1.400 1.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.21533E-02 ppm1 8.468 ppm2 1.288 CV 1 ASSI { 348} (( segid " " and resid 1079 and name H )) (( segid " " and resid 1078 and name HB2 )) 3.000 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.14431E-02 ppm1 8.842 ppm2 2.121 CV 1 ASSI { 350} (( segid " " and resid 1079 and name H )) (( segid " " and resid 1078 and name HG2 )) 3.400 1.400 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.74332E-03 ppm1 8.843 ppm2 1.752 CV 1 ASSI { 352} (( segid " " and resid 1079 and name H )) (( segid " " and resid 1079 and name HB3 )) 3.900 1.900 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 8.842 ppm2 1.385 CV 1 ASSI { 353} (( segid " " and resid 1079 and name H )) (( segid " " and resid 1079 and name HB2 )) 3.100 1.200 1.200 peak 353 spectrum 1 weight 0.10000E+01 volume 0.12817E-02 ppm1 8.842 ppm2 1.313 CV 1 ASSI { 354} (( segid " " and resid 1079 and name H )) ( segid " " and resid 1140 and name HB% ) 3.000 3.000 3.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.73712E-03 ppm1 8.842 ppm2 1.169 CV 1 ASSI { 356} (( segid " " and resid 1081 and name H )) (( segid " " and resid 1080 and name HB3 )) 4.200 2.200 1.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.44101E-03 ppm1 8.699 ppm2 2.211 CV 1 ASSI { 357} (( segid " " and resid 1081 and name H )) (( segid " " and resid 1080 and name HA )) 3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.16833E-02 ppm1 8.700 ppm2 4.185 CV 1 ASSI { 358} (( segid " " and resid 1081 and name H )) (( segid " " and resid 1081 and name HA3 )) 3.400 1.400 1.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.95036E-03 ppm1 8.699 ppm2 3.600 CV 1 ASSI { 361} (( segid " " and resid 1082 and name H )) (( segid " " and resid 1081 and name H )) 3.400 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.86130E-03 ppm1 7.602 ppm2 8.699 CV 1 ASSI { 362} (( segid " " and resid 1082 and name H )) (( segid " " and resid 1083 and name H )) 3.800 1.800 1.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 7.601 ppm2 7.218 CV 1 ASSI { 363} (( segid " " and resid 1082 and name H )) (( segid " " and resid 1082 and name HA )) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.33066E-02 ppm1 7.601 ppm2 4.235 CV 1 ASSI { 364} (( segid " " and resid 1082 and name H )) (( segid " " and resid 1081 and name HA3 )) 3.300 1.300 1.300 peak 364 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 7.600 ppm2 3.602 CV 1 ASSI { 365} (( segid " " and resid 1082 and name H )) ( segid " " and resid 1083 and name HG2%) 4.100 2.100 1.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.47000E-03 ppm1 7.601 ppm2 1.149 CV 1 ASSI { 366} (( segid " " and resid 1082 and name H )) (( segid " " and resid 1082 and name HG3 )) 2.500 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.47290E-02 ppm1 7.601 ppm2 1.826 CV 1 ASSI { 367} (( segid " " and resid 1082 and name H )) (( segid " " and resid 1082 and name HB3 )) 3.000 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.37662E-02 ppm1 7.602 ppm2 2.197 CV 1 ASSI { 368} (( segid " " and resid 1082 and name H )) (( segid " " and resid 1082 and name HG2 )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.33666E-02 ppm1 7.601 ppm2 2.108 CV 1 ASSI { 369} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1082 and name HB3 )) 3.000 1.100 1.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.16067E-02 ppm1 7.217 ppm2 2.194 CV 1 ASSI { 370} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1082 and name HG2 )) 4.000 2.000 2.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.88408E-03 ppm1 7.217 ppm2 2.110 CV 1 ASSI { 371} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1086 and name HB2 )) 2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.32693E-02 ppm1 7.216 ppm2 1.838 CV 1 ASSI { 372} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1082 and name HB2 )) 3.300 1.400 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.15549E-02 ppm1 7.218 ppm2 1.735 CV 1 ASSI { 373} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1086 and name HG2 )) 3.800 1.800 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.56110E-03 ppm1 7.217 ppm2 1.417 CV 1 ASSI { 375} (( segid " " and resid 1083 and name H )) ( segid " " and resid 1141 and name HD1%) 3.500 1.600 1.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.84268E-03 ppm1 7.218 ppm2 0.648 CV 1 ASSI { 376} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1083 and name HB )) 4.000 2.000 2.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.56938E-03 ppm1 7.216 ppm2 4.540 CV 1 ASSI { 377} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1083 and name HA )) 2.900 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 7.216 ppm2 4.456 CV 1 ASSI { 378} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1082 and name HA )) 2.300 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.67686E-02 ppm1 7.216 ppm2 4.237 CV 1 ASSI { 380} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1086 and name H )) 3.400 1.500 1.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 7.215 ppm2 7.561 CV 1 ASSI { 381} (( segid " " and resid 1083 and name H )) (( segid " " and resid 1087 and name H )) 3.600 1.600 1.600 peak 381 spectrum 1 weight 0.10000E+01 volume 0.71434E-03 ppm1 7.217 ppm2 8.671 CV 1 ASSI { 383} (( segid " " and resid 1084 and name H )) (( segid " " and resid 1083 and name HB )) 2.700 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.20187E-02 ppm1 9.351 ppm2 4.538 CV 1 ASSI { 387} (( segid " " and resid 1084 and name H )) (( segid " " and resid 1084 and name HG3 )) 4.600 2.600 1.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 9.349 ppm2 2.445 CV 1 ASSI { 388} (( segid " " and resid 1084 and name H )) (( segid " " and resid 1084 and name HB2 )) 2.700 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 9.350 ppm2 2.025 CV 1 OR { 388} (( segid " " and resid 1084 and name H )) (( segid " " and resid 1084 and name HB3 )) ASSI { 389} (( segid " " and resid 1084 and name H )) ( segid " " and resid 1083 and name HG2%) 4.000 2.000 2.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 9.350 ppm2 1.151 CV 1 ASSI { 392} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1084 and name HG2 )) 4.200 2.200 1.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.42238E-03 ppm1 9.151 ppm2 2.613 CV 1 ASSI { 393} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1084 and name HG3 )) 4.100 2.100 1.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.56317E-03 ppm1 9.154 ppm2 2.440 CV 1 ASSI { 396} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1084 and name HB3 )) 2.900 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 9.154 ppm2 2.041 CV 1 OR { 396} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1084 and name HB2 )) ASSI { 397} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1085 and name HB3 )) 2.800 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.46710E-02 ppm1 9.153 ppm2 1.978 CV 1 ASSI { 398} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1085 and name HB2 )) 2.500 0.800 0.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.37434E-02 ppm1 9.153 ppm2 1.837 CV 1 ASSI { 399} (( segid " " and resid 1085 and name H )) ( segid " " and resid 1083 and name HG2%) 3.000 3.000 3.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.85926E-03 ppm1 9.152 ppm2 1.152 CV 1 ASSI { 400} (( segid " " and resid 1085 and name H )) ( segid " " and resid 1141 and name HD1%) 4.400 2.400 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.49899E-03 ppm1 9.153 ppm2 0.649 CV 1 ASSI { 401} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1083 and name HB )) 3.000 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14017E-02 ppm1 9.153 ppm2 4.538 CV 1 ASSI { 402} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1083 and name HA )) 4.300 2.300 1.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.63359E-03 ppm1 9.154 ppm2 4.453 CV 1 ASSI { 403} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1084 and name HA )) 3.300 1.300 1.300 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 9.153 ppm2 4.149 CV 1 ASSI { 405} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1086 and name H )) 2.800 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.19773E-02 ppm1 9.154 ppm2 7.542 CV 1 ASSI { 406} (( segid " " and resid 1085 and name H )) (( segid " " and resid 1084 and name H )) 3.000 1.100 1.100 peak 406 spectrum 1 weight 0.10000E+01 volume 0.13272E-02 ppm1 9.152 ppm2 9.350 CV 1 ASSI { 410} (( segid " " and resid 1086 and name H )) (( segid " " and resid 1084 and name HA )) 3.800 1.800 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.49070E-03 ppm1 7.544 ppm2 4.144 CV 1 ASSI { 411} (( segid " " and resid 1086 and name H )) (( segid " " and resid 1086 and name HA )) 2.700 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.27061E-02 ppm1 7.543 ppm2 3.999 CV 1 ASSI { 412} (( segid " " and resid 1086 and name H )) (( segid " " and resid 1085 and name HA )) 3.600 1.600 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.73712E-03 ppm1 7.543 ppm2 3.875 CV 1 ASSI { 416} (( segid " " and resid 1086 and name H )) (( segid " " and resid 1086 and name HB2 )) 2.300 0.700 0.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.53729E-02 ppm1 7.543 ppm2 1.841 CV 1 ASSI { 417} (( segid " " and resid 1086 and name H )) (( segid " " and resid 1086 and name HD2 )) 4.100 2.100 1.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.49692E-03 ppm1 7.542 ppm2 1.683 CV 1 ASSI { 418} (( segid " " and resid 1086 and name H )) (( segid " " and resid 1086 and name HG2 )) 3.600 1.600 1.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.86341E-03 ppm1 7.542 ppm2 1.397 CV 1 OR { 418} (( segid " " and resid 1086 and name H )) (( segid " " and resid 1086 and name HG3 )) ASSI { 420} (( segid " " and resid 1087 and name H )) ( segid " " and resid 1141 and name HD1%) 4.000 2.000 2.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.54040E-03 ppm1 8.672 ppm2 0.661 CV 1 ASSI { 421} (( segid " " and resid 1087 and name H )) ( segid " " and resid 1138 and name HG2%) 4.200 2.200 1.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.66668E-03 ppm1 8.671 ppm2 0.917 CV 1 ASSI { 422} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1086 and name HG2 )) 3.900 1.900 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.63769E-03 ppm1 8.669 ppm2 1.408 CV 1 ASSI { 423} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1086 and name HB3 )) 2.800 1.000 1.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.26005E-02 ppm1 8.671 ppm2 1.847 CV 1 OR { 423} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1086 and name HB2 )) ASSI { 426} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1087 and name HB2 )) 3.000 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.11946E-02 ppm1 8.670 ppm2 3.381 CV 1 ASSI { 427} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1087 and name HB3 )) 3.400 1.400 1.400 peak 427 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 8.671 ppm2 2.450 CV 1 ASSI { 428} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1088 and name H )) 3.000 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 8.671 ppm2 8.379 CV 1 ASSI { 429} (( segid " " and resid 1087 and name H )) (( segid " " and resid 1086 and name H )) 2.700 0.900 0.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.24515E-02 ppm1 8.671 ppm2 7.539 CV 1 ASSI { 431} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1089 and name H )) 2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.22382E-02 ppm1 8.379 ppm2 7.535 CV 1 ASSI { 433} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1090 and name H )) 4.200 2.200 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.39132E-03 ppm1 8.379 ppm2 9.034 CV 1 ASSI { 435} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1089 and name HA )) 4.500 2.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.49899E-03 ppm1 8.377 ppm2 4.036 CV 1 ASSI { 436} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1085 and name HA )) 3.600 1.600 1.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.64601E-03 ppm1 8.378 ppm2 3.876 CV 1 ASSI { 440} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1089 and name HB2 )) 4.500 2.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.55075E-03 ppm1 8.378 ppm2 2.172 CV 1 OR { 440} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1089 and name HB3 )) ASSI { 441} (( segid " " and resid 1088 and name H )) (( segid " " and resid 1091 and name HB2 )) 3.900 1.900 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.46793E-03 ppm1 8.377 ppm2 1.856 CV 1 ASSI { 443} (( segid " " and resid 1088 and name H )) ( segid " " and resid 1138 and name HG2%) 3.600 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.82611E-03 ppm1 8.378 ppm2 0.925 CV 1 ASSI { 446} (( segid " " and resid 1089 and name H )) (( segid " " and resid 1091 and name HB2 )) 3.600 1.600 1.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.85926E-03 ppm1 7.537 ppm2 1.857 CV 1 ASSI { 448} (( segid " " and resid 1089 and name H )) (( segid " " and resid 1089 and name HG2 )) 3.900 1.900 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.15570E-02 ppm1 7.536 ppm2 2.404 CV 1 ASSI { 450} (( segid " " and resid 1089 and name H )) (( segid " " and resid 1088 and name HB )) 3.000 1.100 1.100 peak 450 spectrum 1 weight 0.10000E+01 volume 0.23769E-02 ppm1 7.535 ppm2 4.140 CV 1 ASSI { 451} (( segid " " and resid 1089 and name H )) (( segid " " and resid 1089 and name HA )) 2.600 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.45116E-02 ppm1 7.536 ppm2 4.029 CV 1 ASSI { 453} (( segid " " and resid 1089 and name H )) (( segid " " and resid 1090 and name H )) 2.600 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.29028E-02 ppm1 7.535 ppm2 9.040 CV 1 ASSI { 454} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1091 and name H )) 2.800 1.000 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 9.037 ppm2 8.468 CV 1 ASSI { 457} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1090 and name HA )) 2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.31595E-02 ppm1 9.038 ppm2 4.377 CV 1 ASSI { 458} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1087 and name HA )) 3.000 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.18220E-02 ppm1 9.037 ppm2 4.134 CV 1 ASSI { 459} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1089 and name HA )) 3.200 1.200 1.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 9.037 ppm2 4.025 CV 1 ASSI { 460} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1090 and name HB3 )) 2.900 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 9.037 ppm2 2.800 CV 1 ASSI { 461} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1090 and name HB2 )) 2.800 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.20021E-02 ppm1 9.037 ppm2 2.644 CV 1 ASSI { 465} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1091 and name HB2 )) 4.400 2.400 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.55075E-03 ppm1 9.038 ppm2 1.868 CV 1 ASSI { 466} (( segid " " and resid 1090 and name H )) (( segid " " and resid 1091 and name HB3 )) 4.800 2.900 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.40167E-03 ppm1 9.039 ppm2 1.713 CV 1 ASSI { 467} (( segid " " and resid 1090 and name H )) ( segid " " and resid 1134 and name HB% ) 3.600 1.700 1.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.10415E-02 ppm1 9.037 ppm2 1.535 CV 1 ASSI { 468} (( segid " " and resid 1091 and name H )) ( segid " " and resid 1138 and name HG2%) 3.900 1.900 1.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.70187E-03 ppm1 8.470 ppm2 0.928 CV 1 ASSI { 470} (( segid " " and resid 1091 and name H )) (( segid " " and resid 1091 and name HB2 )) 2.600 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.23024E-02 ppm1 8.470 ppm2 1.869 CV 1 ASSI { 473} (( segid " " and resid 1091 and name H )) (( segid " " and resid 1090 and name HB3 )) 3.300 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.91102E-03 ppm1 8.469 ppm2 2.797 CV 1 ASSI { 474} (( segid " " and resid 1091 and name H )) (( segid " " and resid 1090 and name HB2 )) 3.900 1.900 1.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.82816E-03 ppm1 8.469 ppm2 2.642 CV 1 ASSI { 478} (( segid " " and resid 1091 and name H )) (( segid " " and resid 1087 and name HA )) 3.600 1.600 1.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.73501E-03 ppm1 8.469 ppm2 4.136 CV 1 ASSI { 479} (( segid " " and resid 1091 and name H )) (( segid " " and resid 1089 and name HA )) 3.800 1.800 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.45343E-03 ppm1 8.469 ppm2 4.042 CV 1 ASSI { 480} (( segid " " and resid 1091 and name H )) (( segid " " and resid 1092 and name H )) 2.900 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.16440E-02 ppm1 8.470 ppm2 8.066 CV 1 ASSI { 482} (( segid " " and resid 1092 and name H )) (( segid " " and resid 1093 and name H )) 2.800 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.20518E-02 ppm1 8.064 ppm2 8.806 CV 1 ASSI { 483} (( segid " " and resid 1092 and name H )) (( segid " " and resid 1094 and name H )) 4.100 2.100 1.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.41824E-03 ppm1 8.063 ppm2 8.567 CV 1 ASSI { 485} (( segid " " and resid 1092 and name H )) (( segid " " and resid 1092 and name HA2 )) 2.800 1.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.37393E-02 ppm1 8.063 ppm2 4.065 CV 1 ASSI { 491} (( segid " " and resid 1092 and name H )) ( segid " " and resid 1088 and name HG2%) 4.300 2.400 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.53418E-03 ppm1 8.064 ppm2 1.269 CV 1 ASSI { 492} (( segid " " and resid 1092 and name H )) ( segid " " and resid 1200 and name HG1%) 3.800 1.800 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.75158E-03 ppm1 8.064 ppm2 1.001 CV 1 ASSI { 493} (( segid " " and resid 1092 and name H )) ( segid " " and resid 1200 and name HG2%) 4.400 2.500 1.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.49692E-03 ppm1 8.060 ppm2 0.940 CV 1 ASSI { 494} (( segid " " and resid 1092 and name H )) ( segid " " and resid 1091 and name HD2%) 3.700 1.700 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.15549E-02 ppm1 8.062 ppm2 0.829 CV 1 ASSI { 497} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1092 and name HA3 )) 3.000 1.100 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 8.806 ppm2 3.677 CV 1 ASSI { 498} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1093 and name HB3 )) 3.300 1.400 1.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.28096E-02 ppm1 8.807 ppm2 2.911 CV 1 ASSI { 499} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1093 and name HB2 )) 2.600 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.27123E-02 ppm1 8.806 ppm2 2.787 CV 1 ASSI { 500} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1090 and name HA )) 3.000 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 8.807 ppm2 4.380 CV 1 ASSI { 501} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1092 and name HA2 )) 3.300 1.400 1.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.20477E-02 ppm1 8.807 ppm2 4.059 CV 1 ASSI { 504} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1095 and name H )) 3.900 1.900 1.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 8.807 ppm2 7.970 CV 1 ASSI { 505} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1093 and name HD22)) 4.000 2.000 2.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.67704E-03 ppm1 8.808 ppm2 7.916 CV 1 ASSI { 506} (( segid " " and resid 1093 and name H )) (( segid " " and resid 1094 and name H )) 2.800 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.22092E-02 ppm1 8.807 ppm2 8.571 CV 1 ASSI { 508} (( segid " " and resid 1140 and name H )) (( segid " " and resid 1141 and name H )) 2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.21160E-02 ppm1 8.579 ppm2 7.378 CV 1 ASSI { 510} (( segid " " and resid 1140 and name H )) (( segid " " and resid 1139 and name H )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.19628E-02 ppm1 8.579 ppm2 8.424 CV 1 ASSI { 512} (( segid " " and resid 1094 and name H )) (( segid " " and resid 1093 and name HA )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 8.569 ppm2 4.473 CV 1 ASSI { 513} (( segid " " and resid 1094 and name H )) (( segid " " and resid 1094 and name HA )) 2.700 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.31492E-02 ppm1 8.570 ppm2 4.381 CV 1 ASSI { 515} (( segid " " and resid 1102 and name H )) (( segid " " and resid 1101 and name HA )) 4.000 2.000 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.39754E-03 ppm1 8.542 ppm2 4.208 CV 1 ASSI { 516} (( segid " " and resid 1094 and name H )) (( segid " " and resid 1094 and name HB2 )) 2.800 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 8.570 ppm2 3.998 CV 1 ASSI { 518} (( segid " " and resid 1094 and name H )) (( segid " " and resid 1094 and name HB3 )) 3.200 1.300 1.300 peak 518 spectrum 1 weight 0.10000E+01 volume 0.19918E-02 ppm1 8.569 ppm2 3.869 CV 1 ASSI { 519} (( segid " " and resid 1140 and name H )) (( segid " " and resid 1140 and name HA )) 2.600 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.41865E-02 ppm1 8.579 ppm2 3.767 CV 1 ASSI { 521} (( segid " " and resid 1094 and name H )) (( segid " " and resid 1093 and name HB3 )) 3.800 1.800 1.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.95036E-03 ppm1 8.570 ppm2 2.911 CV 1 ASSI { 523} (( segid " " and resid 1102 and name H )) (( segid " " and resid 1102 and name HG13)) 3.800 1.800 1.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.11201E-02 ppm1 8.542 ppm2 2.018 CV 1 ASSI { 524} (( segid " " and resid 1140 and name H )) (( segid " " and resid 1138 and name HB )) 4.200 2.200 1.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.62323E-03 ppm1 8.578 ppm2 1.980 CV 1 ASSI { 526} (( segid " " and resid 1140 and name H )) (( segid " " and resid 1141 and name HG )) 4.100 2.100 1.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.69156E-03 ppm1 8.576 ppm2 1.580 CV 1 ASSI { 528} (( segid " " and resid 1102 and name H )) ( segid " " and resid 1101 and name HB% ) 2.700 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.20063E-02 ppm1 8.542 ppm2 1.486 CV 1 ASSI { 529} (( segid " " and resid 1140 and name H )) ( segid " " and resid 1139 and name HB% ) 2.700 0.900 0.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.31947E-02 ppm1 8.579 ppm2 1.301 CV 1 ASSI { 531} (( segid " " and resid 1102 and name H )) ( segid " " and resid 1124 and name HG1%) 3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.83232E-03 ppm1 8.542 ppm2 0.969 CV 1 ASSI { 535} (( segid " " and resid 1102 and name H )) (( segid " " and resid 1102 and name HG12)) 2.400 0.700 0.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.28407E-02 ppm1 8.541 ppm2 0.705 CV 1 OR { 535} (( segid " " and resid 1102 and name H )) ( segid " " and resid 1102 and name HD1%) ASSI { 539} (( segid " " and resid 1095 and name H )) ( segid " " and resid 1131 and name HD2%) 2.900 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.19090E-02 ppm1 7.977 ppm2 0.835 CV 1 ASSI { 540} (( segid " " and resid 1095 and name H )) ( segid " " and resid 1196 and name HD2%) 3.900 1.900 1.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.75363E-03 ppm1 7.979 ppm2 0.759 CV 1 ASSI { 541} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1096 and name HB2 )) 4.400 2.400 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.61907E-03 ppm1 7.977 ppm2 1.894 CV 1 OR { 541} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1096 and name HB3 )) ASSI { 543} (( segid " " and resid 1095 and name H )) ( segid " " and resid 1097 and name HB% ) 4.200 2.200 1.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.49899E-03 ppm1 7.978 ppm2 1.512 CV 1 ASSI { 544} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1093 and name HA )) 3.900 1.900 1.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.44308E-03 ppm1 7.976 ppm2 4.473 CV 1 ASSI { 545} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1094 and name HA )) 3.300 1.400 1.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.10746E-02 ppm1 7.976 ppm2 4.383 CV 1 ASSI { 546} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1095 and name HB )) 2.800 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.17123E-02 ppm1 7.978 ppm2 4.158 CV 1 ASSI { 547} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1092 and name HA2 )) 3.300 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.81370E-03 ppm1 7.978 ppm2 4.066 CV 1 ASSI { 548} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1094 and name HB2 )) 3.400 1.500 1.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.72054E-03 ppm1 7.976 ppm2 3.994 CV 1 ASSI { 550} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1096 and name H )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.18158E-02 ppm1 7.977 ppm2 7.223 CV 1 ASSI { 551} (( segid " " and resid 1095 and name H )) (( segid " " and resid 1094 and name H )) 2.900 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18055E-02 ppm1 7.978 ppm2 8.573 CV 1 ASSI { 553} (( segid " " and resid 1096 and name H )) (( segid " " and resid 1097 and name H )) 2.800 1.000 1.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 7.225 ppm2 7.893 CV 1 ASSI { 554} (( segid " " and resid 1096 and name H )) (( segid " " and resid 1095 and name HB )) 3.200 1.300 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.76194E-03 ppm1 7.225 ppm2 4.155 CV 1 ASSI { 568} (( segid " " and resid 1103 and name H )) (( segid " " and resid 1102 and name HG13)) 3.100 1.200 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.75363E-03 ppm1 7.501 ppm2 2.010 CV 1 ASSI { 570} (( segid " " and resid 1103 and name H )) (( segid " " and resid 1102 and name HB )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.24825E-02 ppm1 7.501 ppm2 1.872 CV 1 ASSI { 572} (( segid " " and resid 1103 and name H )) (( segid " " and resid 1104 and name HA )) 4.300 2.300 1.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.59425E-03 ppm1 7.474 ppm2 4.078 CV 1 ASSI { 573} (( segid " " and resid 1191 and name H )) (( segid " " and resid 1190 and name HA )) 3.600 1.700 1.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.61287E-03 ppm1 7.475 ppm2 4.013 CV 1 ASSI { 574} (( segid " " and resid 1191 and name H )) (( segid " " and resid 1188 and name HA )) 2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.26585E-02 ppm1 7.475 ppm2 3.910 CV 1 ASSI { 575} (( segid " " and resid 1191 and name H )) (( segid " " and resid 1192 and name H )) 2.600 0.900 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.27351E-02 ppm1 7.475 ppm2 8.109 CV 1 ASSI { 576} (( segid " " and resid 1103 and name H )) (( segid " " and resid 1104 and name H )) 2.900 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 7.502 ppm2 7.739 CV 1 ASSI { 577} (( segid " " and resid 1103 and name H )) (( segid " " and resid 1102 and name H )) 2.700 0.900 0.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 7.502 ppm2 8.545 CV 1 ASSI { 578} (( segid " " and resid 1098 and name H )) (( segid " " and resid 1099 and name H )) 2.800 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 8.656 ppm2 8.277 CV 1 ASSI { 579} (( segid " " and resid 1098 and name H )) (( segid " " and resid 1097 and name H )) 2.900 1.100 1.100 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17413E-02 ppm1 8.656 ppm2 7.889 CV 1 ASSI { 581} (( segid " " and resid 1098 and name H )) (( segid " " and resid 1127 and name HA3 )) 3.600 1.600 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.48656E-03 ppm1 8.657 ppm2 3.989 CV 1 ASSI { 582} (( segid " " and resid 1098 and name H )) (( segid " " and resid 1095 and name HA )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.15073E-02 ppm1 8.656 ppm2 3.871 CV 1 ASSI { 584} (( segid " " and resid 1098 and name H )) ( segid " " and resid 1097 and name HB% ) 2.600 0.800 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.37931E-02 ppm1 8.656 ppm2 1.504 CV 1 ASSI { 585} (( segid " " and resid 1098 and name H )) (( segid " " and resid 1098 and name HB )) 2.600 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.28925E-02 ppm1 8.656 ppm2 2.059 CV 1 ASSI { 586} (( segid " " and resid 1098 and name H )) ( segid " " and resid 1098 and name HG1%) 2.600 0.800 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.39691E-02 ppm1 8.656 ppm2 1.022 CV 1 ASSI { 588} (( segid " " and resid 1098 and name H )) ( segid " " and resid 1196 and name HD2%) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.10021E-02 ppm1 8.656 ppm2 0.759 CV 1 ASSI { 590} (( segid " " and resid 1099 and name H )) (( segid " " and resid 1098 and name HB )) 3.000 1.200 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.22009E-02 ppm1 8.276 ppm2 2.060 CV 1 ASSI { 592} (( segid " " and resid 1099 and name H )) ( segid " " and resid 1196 and name HD2%) 3.700 1.700 1.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 8.275 ppm2 0.772 CV 1 ASSI { 593} (( segid " " and resid 1099 and name H )) ( segid " " and resid 1098 and name HG1%) 3.100 1.200 1.200 peak 593 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 8.277 ppm2 1.022 CV 1 ASSI { 594} (( segid " " and resid 1099 and name H )) (( segid " " and resid 1096 and name HA )) 3.300 1.300 1.300 peak 594 spectrum 1 weight 0.10000E+01 volume 0.11968E-02 ppm1 8.275 ppm2 4.077 CV 1 ASSI { 595} (( segid " " and resid 1099 and name H )) (( segid " " and resid 1099 and name HB2 )) 2.700 0.900 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.29608E-02 ppm1 8.276 ppm2 3.975 CV 1 ASSI { 596} (( segid " " and resid 1099 and name H )) (( segid " " and resid 1099 and name HB3 )) 2.400 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.58968E-02 ppm1 8.276 ppm2 3.883 CV 1 ASSI { 598} (( segid " " and resid 1099 and name H )) (( segid " " and resid 1100 and name H )) 3.200 1.200 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 8.278 ppm2 8.142 CV 1 ASSI { 601} (( segid " " and resid 1100 and name H )) (( segid " " and resid 1100 and name HA )) 3.800 1.800 1.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.41409E-03 ppm1 8.139 ppm2 4.192 CV 1 ASSI { 602} (( segid " " and resid 1103 and name H )) (( segid " " and resid 1102 and name HA )) 3.700 1.700 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.48449E-03 ppm1 7.503 ppm2 3.376 CV 1 ASSI { 604} (( segid " " and resid 1103 and name H )) (( segid " " and resid 1102 and name HG12)) 3.300 1.300 1.300 peak 604 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 7.500 ppm2 0.704 CV 1 OR { 604} (( segid " " and resid 1103 and name H )) ( segid " " and resid 1102 and name HD1%) ASSI { 605} (( segid " " and resid 1191 and name H )) ( segid " " and resid 1192 and name HG2%) 3.900 1.900 1.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 7.475 ppm2 0.947 CV 1 ASSI { 606} (( segid " " and resid 1117 and name H )) (( segid " " and resid 1118 and name H )) 3.200 1.200 1.200 peak 606 spectrum 1 weight 0.10000E+01 volume 0.10973E-02 ppm1 8.499 ppm2 7.932 CV 1 ASSI { 607} (( segid " " and resid 1117 and name H )) (( segid " " and resid 1116 and name H )) 3.000 1.100 1.100 peak 607 spectrum 1 weight 0.10000E+01 volume 0.13500E-02 ppm1 8.500 ppm2 7.880 CV 1 ASSI { 611} (( segid " " and resid 1117 and name H )) (( segid " " and resid 1116 and name HB3 )) 3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.42238E-03 ppm1 8.500 ppm2 2.812 CV 1 ASSI { 616} (( segid " " and resid 1118 and name H )) ( segid " " and resid 1050 and name HE% ) 4.500 2.600 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.47828E-03 ppm1 7.937 ppm2 1.833 CV 1 ASSI { 617} (( segid " " and resid 1118 and name H )) ( segid " " and resid 1117 and name HB% ) 3.300 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.96278E-03 ppm1 7.940 ppm2 1.308 CV 1 ASSI { 622} (( segid " " and resid 1119 and name H )) (( segid " " and resid 1118 and name H )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.64601E-03 ppm1 7.353 ppm2 7.939 CV 1 ASSI { 623} (( segid " " and resid 1119 and name H )) (( segid " " and resid 1120 and name H )) 3.200 1.300 1.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.80545E-03 ppm1 7.353 ppm2 7.790 CV 1 ASSI { 627} (( segid " " and resid 1119 and name H )) (( segid " " and resid 1119 and name HB )) 2.900 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.15156E-02 ppm1 7.351 ppm2 1.782 CV 1 ASSI { 633} (( segid " " and resid 1120 and name H )) ( segid " " and resid 1119 and name HD1%) 3.300 1.300 1.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.47000E-03 ppm1 7.792 ppm2 0.693 CV 1 ASSI { 635} (( segid " " and resid 1120 and name H )) ( segid " " and resid 1121 and name HB% ) 4.400 2.400 1.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.57145E-03 ppm1 7.793 ppm2 1.415 CV 1 ASSI { 638} (( segid " " and resid 1120 and name H )) (( segid " " and resid 1117 and name HA )) 3.500 1.600 1.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.62944E-03 ppm1 7.799 ppm2 3.960 CV 1 ASSI { 642} (( segid " " and resid 1121 and name H )) (( segid " " and resid 1122 and name H )) 2.900 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.16522E-02 ppm1 8.300 ppm2 7.938 CV 1 ASSI { 643} (( segid " " and resid 1121 and name H )) (( segid " " and resid 1120 and name H )) 3.000 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 8.301 ppm2 7.792 CV 1 ASSI { 644} (( segid " " and resid 1121 and name H )) (( segid " " and resid 1120 and name HA )) 3.700 1.800 1.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.58593E-03 ppm1 8.299 ppm2 4.206 CV 1 ASSI { 649} (( segid " " and resid 1121 and name H )) ( segid " " and resid 1121 and name HB% ) 2.400 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.47642E-02 ppm1 8.300 ppm2 1.417 CV 1 ASSI { 650} (( segid " " and resid 1121 and name H )) ( segid " " and resid 1105 and name HD1%) 3.800 1.800 1.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.66668E-03 ppm1 8.298 ppm2 0.683 CV 1 ASSI { 652} (( segid " " and resid 1122 and name H )) ( segid " " and resid 1105 and name HD2%) 3.400 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.40167E-03 ppm1 7.934 ppm2 0.919 CV 1 ASSI { 655} (( segid " " and resid 1122 and name H )) ( segid " " and resid 1121 and name HB% ) 2.800 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.27931E-02 ppm1 7.934 ppm2 1.414 CV 1 ASSI { 656} (( segid " " and resid 1122 and name H )) ( segid " " and resid 1053 and name HB% ) 3.700 1.700 1.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.67499E-03 ppm1 7.936 ppm2 1.351 CV 1 ASSI { 657} (( segid " " and resid 1122 and name H )) (( segid " " and resid 1122 and name HB3 )) 2.700 0.900 0.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.28510E-02 ppm1 7.933 ppm2 2.010 CV 1 ASSI { 658} (( segid " " and resid 1122 and name H )) (( segid " " and resid 1122 and name HB2 )) 2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.26233E-02 ppm1 7.933 ppm2 2.247 CV 1 ASSI { 660} (( segid " " and resid 1122 and name H )) (( segid " " and resid 1119 and name HA )) 3.200 1.200 1.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12692E-02 ppm1 7.933 ppm2 3.541 CV 1 ASSI { 663} (( segid " " and resid 1122 and name H )) (( segid " " and resid 1123 and name H )) 2.900 1.100 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.15405E-02 ppm1 7.934 ppm2 8.142 CV 1 ASSI { 666} (( segid " " and resid 1123 and name H )) (( segid " " and resid 1123 and name HA )) 3.000 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 8.139 ppm2 4.502 CV 1 ASSI { 667} (( segid " " and resid 1123 and name H )) (( segid " " and resid 1120 and name HA )) 3.400 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.80749E-03 ppm1 8.140 ppm2 4.204 CV 1 ASSI { 668} (( segid " " and resid 1123 and name H )) (( segid " " and resid 1122 and name HA )) 3.800 1.800 1.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.48242E-03 ppm1 8.136 ppm2 3.900 CV 1 ASSI { 669} (( segid " " and resid 1123 and name H )) (( segid " " and resid 1123 and name HB2 )) 3.000 1.100 1.100 peak 669 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 8.139 ppm2 2.949 CV 1 ASSI { 670} (( segid " " and resid 1123 and name H )) (( segid " " and resid 1123 and name HB3 )) 3.500 1.600 1.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 8.140 ppm2 2.536 CV 1 ASSI { 671} (( segid " " and resid 1123 and name H )) (( segid " " and resid 1122 and name HB2 )) 4.100 2.100 1.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.80334E-03 ppm1 8.140 ppm2 2.252 CV 1 ASSI { 672} (( segid " " and resid 1123 and name H )) (( segid " " and resid 1122 and name HB3 )) 3.300 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.71844E-03 ppm1 8.140 ppm2 2.008 CV 1 ASSI { 674} (( segid " " and resid 1123 and name H )) ( segid " " and resid 1124 and name HG1%) 4.500 2.500 1.500 peak 674 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 8.139 ppm2 0.963 CV 1 ASSI { 676} (( segid " " and resid 1124 and name H )) ( segid " " and resid 1098 and name HG2%) 4.700 2.700 1.300 peak 676 spectrum 1 weight 0.10000E+01 volume 0.46172E-03 ppm1 8.537 ppm2 0.844 CV 1 ASSI { 680} (( segid " " and resid 1124 and name H )) ( segid " " and resid 1101 and name HB% ) 2.800 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.22817E-02 ppm1 8.539 ppm2 1.486 CV 1 ASSI { 684} (( segid " " and resid 1124 and name H )) (( segid " " and resid 1124 and name HB )) 3.300 1.400 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 8.539 ppm2 2.502 CV 1 ASSI { 685} (( segid " " and resid 1124 and name H )) (( segid " " and resid 1123 and name HA )) 3.800 1.800 1.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.51141E-03 ppm1 8.542 ppm2 4.503 CV 1 ASSI { 686} (( segid " " and resid 1124 and name H )) (( segid " " and resid 1123 and name H )) 3.000 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 8.538 ppm2 8.141 CV 1 ASSI { 688} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1126 and name H )) 3.000 1.100 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.14162E-02 ppm1 7.965 ppm2 8.638 CV 1 ASSI { 689} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1124 and name H )) 2.900 1.100 1.100 peak 689 spectrum 1 weight 0.10000E+01 volume 0.17330E-02 ppm1 7.963 ppm2 8.541 CV 1 ASSI { 692} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1122 and name HA )) 3.600 1.600 1.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.57145E-03 ppm1 7.964 ppm2 3.901 CV 1 ASSI { 693} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1125 and name HA )) 2.800 1.000 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 7.964 ppm2 3.769 CV 1 ASSI { 694} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1124 and name HA )) 3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.68535E-03 ppm1 7.963 ppm2 3.408 CV 1 ASSI { 695} (( segid " " and resid 1125 and name H )) (( segid " " and resid 1124 and name HB )) 3.100 1.200 1.200 peak 695 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 7.964 ppm2 2.500 CV 1 ASSI { 696} (( segid " " and resid 1125 and name H )) ( segid " " and resid 1125 and name HB% ) 2.400 0.700 0.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.53543E-02 ppm1 7.964 ppm2 1.479 CV 1 ASSI { 697} (( segid " " and resid 1125 and name H )) ( segid " " and resid 1053 and name HB% ) 3.600 1.600 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.87372E-03 ppm1 7.964 ppm2 1.363 CV 1 ASSI { 698} (( segid " " and resid 1125 and name H )) ( segid " " and resid 1124 and name HG1%) 3.800 1.800 1.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.18365E-02 ppm1 7.964 ppm2 0.965 CV 1 ASSI { 699} (( segid " " and resid 1048 and name H )) ( segid " " and resid 1048 and name HD2%) 4.200 2.200 1.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.52797E-03 ppm1 7.965 ppm2 0.829 CV 1 ASSI { 700} (( segid " " and resid 1125 and name H )) ( segid " " and resid 1124 and name HG2%) 2.800 1.000 1.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.17185E-02 ppm1 7.964 ppm2 0.753 CV 1 ASSI { 702} (( segid " " and resid 1126 and name H )) ( segid " " and resid 1125 and name HB% ) 2.800 1.000 1.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.25053E-02 ppm1 8.640 ppm2 1.480 CV 1 ASSI { 706} (( segid " " and resid 1126 and name H )) (( segid " " and resid 1127 and name H )) 2.800 1.000 1.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.19069E-02 ppm1 8.641 ppm2 8.148 CV 1 ASSI { 709} (( segid " " and resid 1127 and name H )) (( segid " " and resid 1123 and name HA )) 3.800 1.800 1.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.45757E-03 ppm1 8.155 ppm2 4.501 CV 1 ASSI { 710} (( segid " " and resid 1127 and name H )) (( segid " " and resid 1127 and name HA3 )) 2.400 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.39898E-02 ppm1 8.157 ppm2 3.990 CV 1 ASSI { 712} (( segid " " and resid 1127 and name H )) (( segid " " and resid 1127 and name HA2 )) 3.000 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.30312E-02 ppm1 8.157 ppm2 3.514 CV 1 ASSI { 713} (( segid " " and resid 1127 and name H )) (( segid " " and resid 1124 and name HA )) 3.500 1.600 1.600 peak 713 spectrum 1 weight 0.10000E+01 volume 0.53626E-03 ppm1 8.155 ppm2 3.417 CV 1 ASSI { 714} (( segid " " and resid 1127 and name H )) (( segid " " and resid 1128 and name HG )) 4.300 2.300 1.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.50727E-03 ppm1 8.154 ppm2 1.950 CV 1 OR { 714} (( segid " " and resid 1127 and name H )) (( segid " " and resid 1128 and name HB2 )) ASSI { 716} (( segid " " and resid 1127 and name H )) ( segid " " and resid 1098 and name HG1%) 3.700 1.700 1.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13686E-02 ppm1 8.157 ppm2 1.023 CV 1 ASSI { 717} (( segid " " and resid 1127 and name H )) ( segid " " and resid 1098 and name HG2%) 4.100 2.100 1.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.51141E-03 ppm1 8.158 ppm2 0.854 CV 1 ASSI { 718} (( segid " " and resid 1127 and name H )) ( segid " " and resid 1128 and name HD2%) 4.500 2.600 1.500 peak 718 spectrum 1 weight 0.10000E+01 volume 0.44930E-03 ppm1 8.158 ppm2 0.707 CV 1 ASSI { 719} (( segid " " and resid 1128 and name H )) (( segid " " and resid 1128 and name HB3 )) 4.100 2.100 1.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.88824E-03 ppm1 8.133 ppm2 1.159 CV 1 ASSI { 720} (( segid " " and resid 1128 and name H )) ( segid " " and resid 1098 and name HG1%) 3.400 1.400 1.400 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 8.133 ppm2 1.025 CV 1 ASSI { 721} (( segid " " and resid 1128 and name H )) ( segid " " and resid 1057 and name HG2%) 4.000 2.000 2.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.47828E-03 ppm1 8.136 ppm2 0.956 CV 1 OR { 721} (( segid " " and resid 1128 and name H )) ( segid " " and resid 1057 and name HG1%) ASSI { 722} (( segid " " and resid 1128 and name H )) ( segid " " and resid 1098 and name HG2%) 3.400 1.400 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 8.133 ppm2 0.854 CV 1 ASSI { 724} (( segid " " and resid 1128 and name H )) (( segid " " and resid 1128 and name HB2 )) 2.600 0.800 0.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.25964E-02 ppm1 8.133 ppm2 1.952 CV 1 OR { 724} (( segid " " and resid 1128 and name H )) (( segid " " and resid 1128 and name HG )) ASSI { 725} (( segid " " and resid 1128 and name H )) (( segid " " and resid 1129 and name HG3 )) 3.900 1.900 1.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.61082E-03 ppm1 8.133 ppm2 1.482 CV 1 ASSI { 726} (( segid " " and resid 1128 and name H )) (( segid " " and resid 1127 and name HA3 )) 3.100 1.200 1.200 peak 726 spectrum 1 weight 0.10000E+01 volume 0.11512E-02 ppm1 8.133 ppm2 3.999 CV 1 ASSI { 727} (( segid " " and resid 1128 and name H )) (( segid " " and resid 1125 and name HA )) 3.400 1.500 1.500 peak 727 spectrum 1 weight 0.10000E+01 volume 0.76194E-03 ppm1 8.132 ppm2 3.777 CV 1 ASSI { 728} (( segid " " and resid 1128 and name H )) (( segid " " and resid 1127 and name HA2 )) 3.700 1.700 1.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.79508E-03 ppm1 8.134 ppm2 3.517 CV 1 ASSI { 730} (( segid " " and resid 1129 and name H )) (( segid " " and resid 1128 and name HA )) 3.700 1.700 1.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.52383E-03 ppm1 8.117 ppm2 4.049 CV 1 ASSI { 732} (( segid " " and resid 1129 and name H )) (( segid " " and resid 1126 and name HA2 )) 3.500 1.600 1.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.53626E-03 ppm1 8.118 ppm2 3.748 CV 1 ASSI { 733} (( segid " " and resid 1129 and name H )) (( segid " " and resid 1129 and name HB3 )) 2.800 1.000 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.27330E-02 ppm1 8.118 ppm2 2.027 CV 1 ASSI { 734} (( segid " " and resid 1129 and name H )) (( segid " " and resid 1128 and name HB2 )) 3.000 1.100 1.100 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 8.119 ppm2 1.942 CV 1 ASSI { 737} (( segid " " and resid 1129 and name H )) (( segid " " and resid 1129 and name HG3 )) 3.000 1.100 1.100 peak 737 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 8.118 ppm2 1.482 CV 1 ASSI { 738} (( segid " " and resid 1129 and name H )) (( segid " " and resid 1128 and name HB3 )) 4.200 2.200 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.51141E-03 ppm1 8.119 ppm2 1.155 CV 1 ASSI { 740} (( segid " " and resid 1129 and name H )) ( segid " " and resid 1060 and name HD2%) 3.700 1.700 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.13147E-02 ppm1 8.119 ppm2 0.859 CV 1 ASSI { 741} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1129 and name HB3 )) 3.000 1.100 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.25032E-02 ppm1 7.402 ppm2 2.026 CV 1 ASSI { 742} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1131 and name HB3 )) 4.000 2.000 2.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.81575E-03 ppm1 7.401 ppm2 1.941 CV 1 ASSI { 745} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1129 and name HG3 )) 3.300 1.300 1.300 peak 745 spectrum 1 weight 0.10000E+01 volume 0.92138E-03 ppm1 7.402 ppm2 1.484 CV 1 ASSI { 747} (( segid " " and resid 1130 and name H )) ( segid " " and resid 1060 and name HD1%) 4.200 2.200 1.800 peak 747 spectrum 1 weight 0.10000E+01 volume 0.61287E-03 ppm1 7.402 ppm2 0.687 CV 1 ASSI { 748} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1130 and name HA )) 2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.31451E-02 ppm1 7.402 ppm2 4.159 CV 1 ASSI { 749} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1128 and name HA )) 4.000 2.000 2.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.44308E-03 ppm1 7.404 ppm2 4.067 CV 1 ASSI { 750} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1130 and name HB2 )) 2.500 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.43045E-02 ppm1 7.402 ppm2 3.996 CV 1 ASSI { 751} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1130 and name HB3 )) 2.800 1.000 1.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.23893E-02 ppm1 7.402 ppm2 3.896 CV 1 ASSI { 752} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1132 and name H )) 4.400 2.400 1.600 peak 752 spectrum 1 weight 0.10000E+01 volume 0.37890E-03 ppm1 7.406 ppm2 8.726 CV 1 ASSI { 753} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1131 and name H )) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.19193E-02 ppm1 7.402 ppm2 8.299 CV 1 ASSI { 754} (( segid " " and resid 1130 and name H )) (( segid " " and resid 1129 and name H )) 2.600 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.27890E-02 ppm1 7.402 ppm2 8.125 CV 1 ASSI { 757} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1132 and name H )) 2.900 1.000 1.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.16254E-02 ppm1 8.299 ppm2 8.725 CV 1 ASSI { 758} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1130 and name HA )) 3.600 1.600 1.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.66668E-03 ppm1 8.298 ppm2 4.166 CV 1 ASSI { 761} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1131 and name HB3 )) 2.900 1.100 1.100 peak 761 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 8.299 ppm2 1.925 CV 1 ASSI { 762} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1131 and name HB2 )) 2.700 0.900 0.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 8.299 ppm2 1.708 CV 1 ASSI { 763} (( segid " " and resid 1131 and name H )) (( segid " " and resid 1131 and name HG )) 4.400 2.400 1.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.95657E-03 ppm1 8.298 ppm2 1.612 CV 1 ASSI { 764} (( segid " " and resid 1131 and name H )) ( segid " " and resid 1132 and name HB% ) 4.200 2.200 1.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.79918E-03 ppm1 8.300 ppm2 1.475 CV 1 ASSI { 769} (( segid " " and resid 1132 and name H )) ( segid " " and resid 1060 and name HD1%) 3.500 1.500 1.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.97519E-03 ppm1 8.724 ppm2 0.682 CV 1 ASSI { 770} (( segid " " and resid 1132 and name H )) (( segid " " and resid 1131 and name HB2 )) 3.800 1.800 1.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 8.722 ppm2 1.706 CV 1 ASSI { 771} (( segid " " and resid 1132 and name H )) (( segid " " and resid 1131 and name HG )) 4.400 2.400 1.600 peak 771 spectrum 1 weight 0.10000E+01 volume 0.78677E-03 ppm1 8.722 ppm2 1.611 CV 1 ASSI { 773} (( segid " " and resid 1132 and name H )) ( segid " " and resid 1135 and name HB% ) 4.300 2.300 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.47414E-03 ppm1 8.723 ppm2 1.186 CV 1 ASSI { 774} (( segid " " and resid 1132 and name H )) (( segid " " and resid 1133 and name HB2 )) 4.500 2.600 1.500 peak 774 spectrum 1 weight 0.10000E+01 volume 0.37683E-03 ppm1 8.724 ppm2 2.066 CV 1 ASSI { 775} (( segid " " and resid 1132 and name H )) (( segid " " and resid 1131 and name HB3 )) 2.700 0.900 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.16108E-02 ppm1 8.723 ppm2 1.929 CV 1 ASSI { 776} (( segid " " and resid 1132 and name H )) (( segid " " and resid 1128 and name HA )) 3.700 1.700 1.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.91306E-03 ppm1 8.722 ppm2 4.047 CV 1 ASSI { 781} (( segid " " and resid 1133 and name H )) (( segid " " and resid 1135 and name H )) 3.800 1.800 1.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.64390E-03 ppm1 7.757 ppm2 8.811 CV 1 ASSI { 782} (( segid " " and resid 1133 and name H )) (( segid " " and resid 1132 and name H )) 2.700 0.900 0.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 7.757 ppm2 8.725 CV 1 ASSI { 783} (( segid " " and resid 1133 and name H )) (( segid " " and resid 1134 and name H )) 2.600 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.29794E-02 ppm1 7.757 ppm2 8.070 CV 1 ASSI { 784} (( segid " " and resid 1133 and name H )) (( segid " " and resid 1130 and name HA )) 3.200 1.200 1.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 7.757 ppm2 4.161 CV 1 ASSI { 789} (( segid " " and resid 1133 and name H )) (( segid " " and resid 1133 and name HB3 )) 3.100 1.200 1.200 peak 789 spectrum 1 weight 0.10000E+01 volume 0.40892E-02 ppm1 7.757 ppm2 2.162 CV 1 ASSI { 791} (( segid " " and resid 1133 and name H )) ( segid " " and resid 1134 and name HB% ) 3.900 1.900 1.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 7.757 ppm2 1.534 CV 1 ASSI { 793} (( segid " " and resid 1133 and name H )) ( segid " " and resid 1064 and name HD1%) 3.800 1.800 1.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.86130E-03 ppm1 7.757 ppm2 0.847 CV 1 ASSI { 794} (( segid " " and resid 1197 and name HD22)) (( segid " " and resid 1198 and name HB2 )) 3.500 1.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.16212E-02 ppm1 7.459 ppm2 1.951 CV 1 ASSI { 797} (( segid " " and resid 1133 and name HE21)) (( segid " " and resid 1133 and name HE22)) 1.400 0.300 0.800 peak 797 spectrum 1 weight 0.10000E+01 volume 0.68980E-01 ppm1 7.456 ppm2 6.723 CV 1 ASSI { 800} (( segid " " and resid 1133 and name HE22)) (( segid " " and resid 1133 and name HG3 )) 3.500 1.500 1.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.22320E-02 ppm1 6.724 ppm2 2.318 CV 1 ASSI { 802} (( segid " " and resid 1134 and name H )) ( segid " " and resid 1091 and name HD1%) 3.700 1.700 1.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12506E-02 ppm1 8.071 ppm2 0.833 CV 1 ASSI { 806} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1133 and name HB3 )) 3.400 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.18510E-02 ppm1 8.071 ppm2 2.163 CV 1 ASSI { 807} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1133 and name HB2 )) 2.700 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.19235E-02 ppm1 8.071 ppm2 2.067 CV 1 ASSI { 809} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1130 and name HA )) 3.700 1.700 1.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.59009E-03 ppm1 8.073 ppm2 4.157 CV 1 ASSI { 811} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1136 and name H )) 3.900 1.900 1.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.62944E-03 ppm1 8.073 ppm2 7.858 CV 1 ASSI { 813} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1135 and name H )) 2.600 0.800 0.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.33583E-02 ppm1 8.071 ppm2 8.814 CV 1 ASSI { 814} (( segid " " and resid 1134 and name H )) (( segid " " and resid 1132 and name H )) 3.900 1.900 1.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.51141E-03 ppm1 8.071 ppm2 8.722 CV 1 ASSI { 816} (( segid " " and resid 1135 and name H )) (( segid " " and resid 1136 and name H )) 2.800 1.000 1.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.20001E-02 ppm1 8.813 ppm2 7.861 CV 1 ASSI { 821} (( segid " " and resid 1135 and name H )) ( segid " " and resid 1155 and name HB% ) 4.000 2.000 2.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.88408E-03 ppm1 8.813 ppm2 1.283 CV 1 ASSI { 824} (( segid " " and resid 1135 and name H )) ( segid " " and resid 1138 and name HG2%) 4.000 2.000 2.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.52176E-03 ppm1 8.811 ppm2 0.928 CV 1 ASSI { 829} (( segid " " and resid 1136 and name H )) ( segid " " and resid 1155 and name HB% ) 4.100 2.100 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.64185E-03 ppm1 7.861 ppm2 1.288 CV 1 ASSI { 831} (( segid " " and resid 1136 and name H )) (( segid " " and resid 1136 and name HB2 )) 2.800 0.900 0.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.22527E-02 ppm1 7.863 ppm2 1.958 CV 1 ASSI { 832} (( segid " " and resid 1136 and name H )) (( segid " " and resid 1136 and name HB3 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.23935E-02 ppm1 7.862 ppm2 1.853 CV 1 ASSI { 833} (( segid " " and resid 1136 and name H )) (( segid " " and resid 1136 and name HG2 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.98971E-03 ppm1 7.862 ppm2 1.686 CV 1 ASSI { 834} (( segid " " and resid 1136 and name H )) (( segid " " and resid 1136 and name HG3 )) 3.300 1.300 1.300 peak 834 spectrum 1 weight 0.10000E+01 volume 0.15197E-02 ppm1 7.863 ppm2 1.529 CV 1 ASSI { 837} (( segid " " and resid 1136 and name H )) (( segid " " and resid 1137 and name H )) 2.900 1.100 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.16812E-02 ppm1 7.863 ppm2 7.666 CV 1 ASSI { 839} (( segid " " and resid 1137 and name H )) (( segid " " and resid 1138 and name H )) 2.900 1.100 1.100 peak 839 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 7.665 ppm2 8.376 CV 1 ASSI { 841} (( segid " " and resid 1137 and name H )) (( segid " " and resid 1134 and name HA )) 3.200 1.300 1.300 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10539E-02 ppm1 7.667 ppm2 4.319 CV 1 ASSI { 843} (( segid " " and resid 1137 and name H )) (( segid " " and resid 1133 and name HA )) 3.900 1.900 1.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.40789E-03 ppm1 7.667 ppm2 3.932 CV 1 ASSI { 846} (( segid " " and resid 1137 and name H )) (( segid " " and resid 1136 and name HB2 )) 2.900 1.100 1.100 peak 846 spectrum 1 weight 0.10000E+01 volume 0.14286E-02 ppm1 7.665 ppm2 1.965 CV 1 ASSI { 847} (( segid " " and resid 1137 and name H )) (( segid " " and resid 1136 and name HB3 )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.95452E-03 ppm1 7.667 ppm2 1.849 CV 1 ASSI { 848} (( segid " " and resid 1137 and name H )) (( segid " " and resid 1136 and name HG2 )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.68740E-03 ppm1 7.667 ppm2 1.692 CV 1 ASSI { 849} (( segid " " and resid 1137 and name H )) (( segid " " and resid 1136 and name HG3 )) 3.500 1.500 1.500 peak 849 spectrum 1 weight 0.10000E+01 volume 0.83443E-03 ppm1 7.667 ppm2 1.532 CV 1 ASSI { 851} (( segid " " and resid 1137 and name H )) ( segid " " and resid 1138 and name HG2%) 4.200 2.200 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.68325E-03 ppm1 7.667 ppm2 0.914 CV 1 ASSI { 852} (( segid " " and resid 1138 and name H )) ( segid " " and resid 1139 and name HB% ) 4.300 2.300 1.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.60871E-03 ppm1 8.371 ppm2 1.301 CV 1 ASSI { 855} (( segid " " and resid 1138 and name H )) ( segid " " and resid 1151 and name HG2%) 3.700 1.700 1.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.18655E-02 ppm1 8.372 ppm2 0.836 CV 1 ASSI { 857} (( segid " " and resid 1138 and name H )) (( segid " " and resid 1138 and name HB )) 2.500 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.29069E-02 ppm1 8.373 ppm2 1.972 CV 1 ASSI { 865} (( segid " " and resid 1139 and name H )) (( segid " " and resid 1135 and name HA )) 4.100 2.100 1.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.45343E-03 ppm1 8.421 ppm2 3.680 CV 1 ASSI { 867} (( segid " " and resid 1139 and name H )) (( segid " " and resid 1138 and name HA )) 3.500 1.500 1.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.77231E-03 ppm1 8.420 ppm2 3.474 CV 1 ASSI { 868} (( segid " " and resid 1139 and name H )) (( segid " " and resid 1138 and name HB )) 2.600 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.29442E-02 ppm1 8.416 ppm2 1.978 CV 1 ASSI { 869} (( segid " " and resid 1064 and name H )) (( segid " " and resid 1065 and name HB2 )) 3.500 1.600 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 8.401 ppm2 2.269 CV 1 ASSI { 871} (( segid " " and resid 1139 and name H )) ( segid " " and resid 1138 and name HG2%) 3.600 1.700 1.700 peak 871 spectrum 1 weight 0.10000E+01 volume 0.19980E-02 ppm1 8.418 ppm2 0.924 CV 1 ASSI { 875} (( segid " " and resid 1141 and name H )) (( segid " " and resid 1141 and name HA )) 2.700 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.27744E-02 ppm1 7.379 ppm2 4.230 CV 1 ASSI { 878} (( segid " " and resid 1141 and name H )) (( segid " " and resid 1141 and name HB3 )) 3.500 1.500 1.500 peak 878 spectrum 1 weight 0.10000E+01 volume 0.22465E-02 ppm1 7.378 ppm2 1.756 CV 1 ASSI { 879} (( segid " " and resid 1141 and name H )) (( segid " " and resid 1141 and name HG )) 2.700 0.900 0.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.24100E-02 ppm1 7.379 ppm2 1.563 CV 1 ASSI { 880} (( segid " " and resid 1141 and name H )) ( segid " " and resid 1139 and name HB% ) 4.500 2.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.42859E-03 ppm1 7.378 ppm2 1.306 CV 1 ASSI { 883} (( segid " " and resid 1141 and name H )) ( segid " " and resid 1138 and name HG1%) 3.600 1.600 1.600 peak 883 spectrum 1 weight 0.10000E+01 volume 0.73501E-03 ppm1 7.380 ppm2 0.741 CV 1 ASSI { 884} (( segid " " and resid 1141 and name H )) ( segid " " and resid 1141 and name HD1%) 3.600 1.600 1.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 7.379 ppm2 0.652 CV 1 ASSI { 885} (( segid " " and resid 1142 and name H )) ( segid " " and resid 1139 and name HB% ) 4.600 2.600 1.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.48863E-03 ppm1 7.544 ppm2 1.296 CV 1 ASSI { 889} (( segid " " and resid 1142 and name H )) ( segid " " and resid 1141 and name HD1%) 3.200 1.300 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.57973E-03 ppm1 7.542 ppm2 0.649 CV 1 ASSI { 890} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1141 and name HG )) 4.000 2.100 2.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.84473E-03 ppm1 7.542 ppm2 1.561 CV 1 ASSI { 893} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1141 and name HB3 )) 3.800 1.800 1.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.86546E-03 ppm1 7.542 ppm2 1.758 CV 1 ASSI { 894} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1142 and name HB )) 2.600 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.542 ppm2 4.077 CV 1 ASSI { 895} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1139 and name HA )) 3.400 1.400 1.400 peak 895 spectrum 1 weight 0.10000E+01 volume 0.15342E-02 ppm1 7.543 ppm2 3.768 CV 1 ASSI { 896} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1138 and name HA )) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.52590E-03 ppm1 7.542 ppm2 3.472 CV 1 ASSI { 898} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1141 and name H )) 2.500 0.800 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.33583E-02 ppm1 7.543 ppm2 7.377 CV 1 ASSI { 899} (( segid " " and resid 1142 and name H )) (( segid " " and resid 1140 and name H )) 3.800 1.800 1.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.65842E-03 ppm1 7.542 ppm2 8.582 CV 1 ASSI { 902} (( segid " " and resid 1105 and name H )) (( segid " " and resid 1104 and name H )) 3.600 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.45343E-03 ppm1 8.437 ppm2 7.728 CV 1 ASSI { 904} (( segid " " and resid 1143 and name H )) (( segid " " and resid 1142 and name HA )) 2.700 0.900 0.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.30478E-02 ppm1 8.431 ppm2 4.223 CV 1 ASSI { 910} (( segid " " and resid 1105 and name H )) (( segid " " and resid 1104 and name HB2 )) 3.600 1.600 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.56731E-03 ppm1 8.429 ppm2 1.837 CV 1 ASSI { 917} (( segid " " and resid 1144 and name H )) ( segid " " and resid 1147 and name HG1%) 3.700 1.700 1.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 7.811 ppm2 0.956 CV 1 ASSI { 918} (( segid " " and resid 1144 and name H )) ( segid " " and resid 1147 and name HG2%) 3.700 1.700 1.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.78888E-03 ppm1 7.810 ppm2 0.868 CV 1 ASSI { 919} (( segid " " and resid 1144 and name H )) (( segid " " and resid 1144 and name HB3 )) 3.200 1.300 1.300 peak 919 spectrum 1 weight 0.10000E+01 volume 0.32341E-02 ppm1 7.812 ppm2 2.814 CV 1 ASSI { 920} (( segid " " and resid 1144 and name H )) (( segid " " and resid 1144 and name HB2 )) 2.400 0.700 0.700 peak 920 spectrum 1 weight 0.10000E+01 volume 0.37683E-02 ppm1 7.812 ppm2 2.535 CV 1 ASSI { 921} (( segid " " and resid 1144 and name H )) (( segid " " and resid 1143 and name HB3 )) 3.400 1.500 1.500 peak 921 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 7.811 ppm2 3.916 CV 1 ASSI { 922} (( segid " " and resid 1144 and name H )) (( segid " " and resid 1143 and name HB2 )) 3.900 1.900 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.62528E-03 ppm1 7.813 ppm2 3.827 CV 1 ASSI { 924} (( segid " " and resid 1144 and name H )) (( segid " " and resid 1142 and name HA )) 3.200 1.300 1.300 peak 924 spectrum 1 weight 0.10000E+01 volume 0.20229E-02 ppm1 7.811 ppm2 4.221 CV 1 ASSI { 925} (( segid " " and resid 1144 and name H )) (( segid " " and resid 1144 and name HA )) 2.700 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.25467E-02 ppm1 7.811 ppm2 4.961 CV 1 ASSI { 926} (( segid " " and resid 1144 and name H )) (( segid " " and resid 1143 and name H )) 3.000 1.100 1.100 peak 926 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 7.811 ppm2 8.431 CV 1 ASSI { 928} (( segid " " and resid 1146 and name H )) (( segid " " and resid 1147 and name H )) 2.300 0.700 0.700 peak 928 spectrum 1 weight 0.10000E+01 volume 0.45944E-02 ppm1 8.259 ppm2 7.201 CV 1 ASSI { 930} (( segid " " and resid 1146 and name H )) (( segid " " and resid 1146 and name HA )) 2.400 0.700 0.700 peak 930 spectrum 1 weight 0.10000E+01 volume 0.59483E-02 ppm1 8.259 ppm2 4.199 CV 1 ASSI { 931} (( segid " " and resid 1146 and name H )) (( segid " " and resid 1147 and name HA )) 4.700 2.800 1.300 peak 931 spectrum 1 weight 0.10000E+01 volume 0.37683E-03 ppm1 8.261 ppm2 3.659 CV 1 ASSI { 933} (( segid " " and resid 1146 and name H )) ( segid " " and resid 1146 and name HB% ) 2.300 0.600 0.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.12394E-01 ppm1 8.260 ppm2 1.426 CV 1 ASSI { 935} (( segid " " and resid 1146 and name H )) ( segid " " and resid 1147 and name HG1%) 4.100 2.100 1.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.16605E-02 ppm1 8.260 ppm2 0.951 CV 1 ASSI { 937} (( segid " " and resid 1147 and name H )) (( segid " " and resid 1144 and name HB3 )) 3.400 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.71639E-03 ppm1 7.203 ppm2 2.812 CV 1 ASSI { 939} (( segid " " and resid 1147 and name H )) (( segid " " and resid 1147 and name HB )) 2.900 1.100 1.100 peak 939 spectrum 1 weight 0.10000E+01 volume 0.36089E-02 ppm1 7.201 ppm2 2.095 CV 1 ASSI { 941} (( segid " " and resid 1147 and name H )) ( segid " " and resid 1150 and name HG2%) 4.600 2.600 1.400 peak 941 spectrum 1 weight 0.10000E+01 volume 0.44516E-03 ppm1 7.202 ppm2 1.041 CV 1 ASSI { 949} (( segid " " and resid 1147 and name H )) (( segid " " and resid 1148 and name H )) 2.600 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.24349E-02 ppm1 7.201 ppm2 8.015 CV 1 ASSI { 951} (( segid " " and resid 1148 and name H )) (( segid " " and resid 1146 and name H )) 3.100 1.200 1.200 peak 951 spectrum 1 weight 0.10000E+01 volume 0.84268E-03 ppm1 8.013 ppm2 8.259 CV 1 ASSI { 952} (( segid " " and resid 1108 and name H )) (( segid " " and resid 1107 and name H )) 3.200 1.300 1.300 peak 952 spectrum 1 weight 0.10000E+01 volume 0.21616E-02 ppm1 7.994 ppm2 7.844 CV 1 ASSI { 956} (( segid " " and resid 1108 and name H )) (( segid " " and resid 1107 and name HA3 )) 3.500 1.600 1.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 7.995 ppm2 4.005 CV 1 ASSI { 957} (( segid " " and resid 1108 and name H )) (( segid " " and resid 1109 and name HA )) 3.800 1.800 1.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.71018E-03 ppm1 7.994 ppm2 3.734 CV 1 ASSI { 962} (( segid " " and resid 1148 and name H )) (( segid " " and resid 1148 and name HB2 )) 2.300 0.600 0.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.49733E-02 ppm1 8.012 ppm2 2.093 CV 1 ASSI { 967} (( segid " " and resid 1149 and name H )) (( segid " " and resid 1148 and name HB2 )) 2.500 0.800 0.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.31016E-02 ppm1 7.511 ppm2 2.091 CV 1 ASSI { 969} (( segid " " and resid 1149 and name H )) (( segid " " and resid 1148 and name HG3 )) 4.200 2.200 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.65011E-03 ppm1 7.511 ppm2 2.397 CV 1 ASSI { 971} (( segid " " and resid 1149 and name H )) (( segid " " and resid 1150 and name HG12)) 3.900 1.900 1.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.63564E-03 ppm1 7.512 ppm2 1.204 CV 1 ASSI { 972} (( segid " " and resid 1149 and name H )) ( segid " " and resid 1151 and name HG1%) 4.000 2.000 2.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.51762E-03 ppm1 7.513 ppm2 0.945 CV 1 ASSI { 976} (( segid " " and resid 1149 and name H )) (( segid " " and resid 1146 and name HA )) 3.100 1.200 1.200 peak 976 spectrum 1 weight 0.10000E+01 volume 0.14100E-02 ppm1 7.512 ppm2 4.195 CV 1 ASSI { 977} (( segid " " and resid 1149 and name H )) (( segid " " and resid 1151 and name H )) 3.700 1.700 1.700 peak 977 spectrum 1 weight 0.10000E+01 volume 0.79092E-03 ppm1 7.513 ppm2 8.262 CV 1 ASSI { 978} (( segid " " and resid 1149 and name H )) (( segid " " and resid 1148 and name H )) 2.700 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.21450E-02 ppm1 7.512 ppm2 8.013 CV 1 ASSI { 979} (( segid " " and resid 1150 and name H )) (( segid " " and resid 1151 and name H )) 2.600 0.800 0.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.27786E-02 ppm1 7.489 ppm2 8.274 CV 1 ASSI { 985} (( segid " " and resid 1150 and name H )) ( segid " " and resid 1149 and name HB% ) 2.500 0.800 0.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.52072E-02 ppm1 7.489 ppm2 1.432 CV 1 ASSI { 991} (( segid " " and resid 1151 and name H )) (( segid " " and resid 1152 and name H )) 2.800 1.000 1.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.16481E-02 ppm1 8.276 ppm2 7.366 CV 1 ASSI { 997} (( segid " " and resid 1151 and name H )) ( segid " " and resid 1154 and name HG2%) 4.000 2.000 2.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.47207E-03 ppm1 8.278 ppm2 1.270 CV 1 ASSI { 999} (( segid " " and resid 1151 and name H )) (( segid " " and resid 1152 and name HB2 )) 4.600 2.700 1.400 peak 999 spectrum 1 weight 0.10000E+01 volume 0.43066E-03 ppm1 8.277 ppm2 1.124 CV 1 ASSI { 1004} (( segid " " and resid 1152 and name H )) (( segid " " and resid 1152 and name HB2 )) 3.000 1.100 1.100 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.11181E-02 ppm1 7.367 ppm2 1.140 CV 1 ASSI { 1007} (( segid " " and resid 1152 and name H )) ( segid " " and resid 1152 and name HD1%) 3.800 1.800 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.15881E-02 ppm1 7.367 ppm2 0.627 CV 1 ASSI { 1010} (( segid " " and resid 1152 and name H )) (( segid " " and resid 1152 and name HB3 )) 3.500 1.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 7.367 ppm2 1.908 CV 1 ASSI { 1011} (( segid " " and resid 1152 and name H )) (( segid " " and resid 1152 and name HG )) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.22237E-02 ppm1 7.367 ppm2 1.817 CV 1 ASSI { 1012} (( segid " " and resid 1152 and name H )) (( segid " " and resid 1152 and name HA )) 2.900 1.000 1.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 7.366 ppm2 3.996 CV 1 ASSI { 1013} (( segid " " and resid 1152 and name H )) (( segid " " and resid 1151 and name HA )) 3.600 1.700 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.50934E-03 ppm1 7.370 ppm2 3.702 CV 1 ASSI { 1016} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1154 and name H )) 2.800 1.000 1.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.21885E-02 ppm1 9.013 ppm2 8.584 CV 1 ASSI { 1017} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1152 and name H )) 2.700 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.19214E-02 ppm1 9.012 ppm2 7.367 CV 1 ASSI { 1020} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1156 and name HB3 )) 3.800 1.900 1.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.90065E-03 ppm1 9.013 ppm2 3.939 CV 1 ASSI { 1023} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1151 and name HB )) 3.400 3.400 2.600 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.37269E-03 ppm1 9.010 ppm2 2.046 CV 1 ASSI { 1024} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1152 and name HB3 )) 3.800 1.800 1.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 9.013 ppm2 1.910 CV 1 ASSI { 1025} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1152 and name HG )) 4.000 2.000 2.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.80545E-03 ppm1 9.013 ppm2 1.818 CV 1 ASSI { 1028} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1152 and name HB2 )) 3.000 1.100 1.100 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.90686E-03 ppm1 9.013 ppm2 1.138 CV 1 ASSI { 1031} (( segid " " and resid 1153 and name H )) ( segid " " and resid 1152 and name HD1%) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.67704E-03 ppm1 9.013 ppm2 0.630 CV 1 ASSI { 1032} (( segid " " and resid 1153 and name H )) ( segid " " and resid 1152 and name HD2%) 3.100 1.200 1.200 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.67499E-03 ppm1 9.013 ppm2 0.542 CV 1 ASSI { 1036} (( segid " " and resid 1154 and name H )) (( segid " " and resid 1154 and name HB )) 3.200 1.200 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.19753E-02 ppm1 8.586 ppm2 4.183 CV 1 ASSI { 1037} (( segid " " and resid 1154 and name H )) (( segid " " and resid 1154 and name HA )) 2.700 0.900 0.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.30208E-02 ppm1 8.585 ppm2 4.022 CV 1 ASSI { 1039} (( segid " " and resid 1154 and name H )) (( segid " " and resid 1151 and name HA )) 3.500 1.500 1.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.81575E-03 ppm1 8.585 ppm2 3.704 CV 1 ASSI { 1042} (( segid " " and resid 1155 and name H )) (( segid " " and resid 1153 and name H )) 3.900 1.900 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.44930E-03 ppm1 7.752 ppm2 9.017 CV 1 ASSI { 1043} (( segid " " and resid 1155 and name H )) (( segid " " and resid 1154 and name H )) 2.700 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 7.754 ppm2 8.585 CV 1 ASSI { 1044} (( segid " " and resid 1155 and name H )) (( segid " " and resid 1156 and name H )) 2.700 0.900 0.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.24659E-02 ppm1 7.753 ppm2 8.347 CV 1 ASSI { 1045} (( segid " " and resid 1155 and name H )) (( segid " " and resid 1154 and name HB )) 3.100 1.200 1.200 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 7.753 ppm2 4.181 CV 1 ASSI { 1046} (( segid " " and resid 1155 and name H )) (( segid " " and resid 1154 and name HA )) 3.200 1.200 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 7.752 ppm2 4.025 CV 1 ASSI { 1047} (( segid " " and resid 1155 and name H )) (( segid " " and resid 1155 and name HA )) 2.600 0.900 0.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.39111E-02 ppm1 7.753 ppm2 3.959 CV 1 ASSI { 1048} (( segid " " and resid 1155 and name H )) (( segid " " and resid 1151 and name HA )) 4.000 2.000 2.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.43480E-03 ppm1 7.754 ppm2 3.709 CV 1 ASSI { 1051} (( segid " " and resid 1155 and name H )) ( segid " " and resid 1158 and name HG2%) 3.900 1.900 1.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.61287E-03 ppm1 7.753 ppm2 0.947 CV 1 ASSI { 1052} (( segid " " and resid 1155 and name H )) ( segid " " and resid 1151 and name HG2%) 3.200 3.200 2.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.15922E-02 ppm1 7.753 ppm2 0.834 CV 1 ASSI { 1053} (( segid " " and resid 1155 and name H )) ( segid " " and resid 1131 and name HD1%) 4.100 2.100 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.73916E-03 ppm1 7.753 ppm2 0.775 CV 1 ASSI { 1054} (( segid " " and resid 1156 and name H )) ( segid " " and resid 1064 and name HD1%) 3.000 1.100 1.100 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.22465E-02 ppm1 8.345 ppm2 0.826 CV 1 ASSI { 1056} (( segid " " and resid 1156 and name H )) (( segid " " and resid 1156 and name HB2 )) 2.700 0.900 0.900 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.32444E-02 ppm1 8.344 ppm2 4.068 CV 1 ASSI { 1057} (( segid " " and resid 1156 and name H )) (( segid " " and resid 1156 and name HB3 )) 2.300 0.600 0.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.69466E-02 ppm1 8.344 ppm2 3.938 CV 1 ASSI { 1059} (( segid " " and resid 1156 and name H )) (( segid " " and resid 1157 and name H )) 2.700 0.900 0.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.25136E-02 ppm1 8.344 ppm2 7.925 CV 1 ASSI { 1061} (( segid " " and resid 1156 and name H )) (( segid " " and resid 1158 and name H )) 4.100 2.100 1.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.45757E-03 ppm1 8.345 ppm2 7.653 CV 1 ASSI { 1062} (( segid " " and resid 1157 and name H )) (( segid " " and resid 1155 and name H )) 3.900 1.900 1.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.58388E-03 ppm1 7.927 ppm2 7.749 CV 1 ASSI { 1063} (( segid " " and resid 1157 and name H )) (( segid " " and resid 1158 and name H )) 2.700 0.900 0.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.25550E-02 ppm1 7.925 ppm2 7.648 CV 1 ASSI { 1065} (( segid " " and resid 1157 and name H )) (( segid " " and resid 1154 and name HA )) 2.900 1.100 1.100 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 7.926 ppm2 4.041 CV 1 ASSI { 1069} (( segid " " and resid 1157 and name H )) (( segid " " and resid 1158 and name HB )) 4.500 2.600 1.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 7.926 ppm2 2.326 CV 1 ASSI { 1070} (( segid " " and resid 1157 and name H )) ( segid " " and resid 1195 and name HB% ) 4.200 2.200 1.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.62112E-03 ppm1 7.925 ppm2 1.456 CV 1 ASSI { 1071} (( segid " " and resid 1157 and name H )) ( segid " " and resid 1155 and name HB% ) 3.900 1.900 1.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 7.925 ppm2 1.268 CV 1 ASSI { 1072} (( segid " " and resid 1157 and name H )) ( segid " " and resid 1158 and name HG2%) 4.000 2.000 2.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.95036E-03 ppm1 7.925 ppm2 0.951 CV 1 ASSI { 1075} (( segid " " and resid 1158 and name H )) ( segid " " and resid 1159 and name HD1%) 4.000 2.000 2.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.92548E-03 ppm1 7.650 ppm2 0.865 CV 1 ASSI { 1077} (( segid " " and resid 1158 and name H )) ( segid " " and resid 1195 and name HB% ) 3.500 1.500 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.12361E-02 ppm1 7.650 ppm2 1.457 CV 1 ASSI { 1078} (( segid " " and resid 1158 and name H )) (( segid " " and resid 1159 and name HB3 )) 4.600 2.600 1.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.43066E-03 ppm1 7.648 ppm2 1.360 CV 1 ASSI { 1079} (( segid " " and resid 1158 and name H )) ( segid " " and resid 1155 and name HB% ) 3.900 1.900 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.81991E-03 ppm1 7.649 ppm2 1.271 CV 1 ASSI { 1083} (( segid " " and resid 1158 and name H )) (( segid " " and resid 1159 and name HG )) 4.100 2.100 1.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.44930E-03 ppm1 7.649 ppm2 1.979 CV 1 ASSI { 1084} (( segid " " and resid 1158 and name H )) (( segid " " and resid 1154 and name HA )) 3.800 1.800 1.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.52590E-03 ppm1 7.649 ppm2 4.039 CV 1 ASSI { 1085} (( segid " " and resid 1158 and name H )) (( segid " " and resid 1155 and name HA )) 3.100 1.200 1.200 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 7.650 ppm2 3.953 CV 1 ASSI { 1087} (( segid " " and resid 1158 and name H )) (( segid " " and resid 1159 and name H )) 2.900 1.000 1.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.17268E-02 ppm1 7.649 ppm2 7.535 CV 1 ASSI { 1091} (( segid " " and resid 1159 and name H )) (( segid " " and resid 1155 and name HA )) 3.300 1.400 1.400 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 7.535 ppm2 3.942 CV 1 ASSI { 1094} (( segid " " and resid 1159 and name H )) (( segid " " and resid 1160 and name HB3 )) 4.500 2.500 1.500 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.55903E-03 ppm1 7.535 ppm2 2.796 CV 1 OR { 1094} (( segid " " and resid 1159 and name H )) (( segid " " and resid 1160 and name HB2 )) ASSI { 1095} (( segid " " and resid 1159 and name H )) (( segid " " and resid 1159 and name HG )) 2.300 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.32403E-02 ppm1 7.534 ppm2 1.980 CV 1 ASSI { 1097} (( segid " " and resid 1159 and name H )) (( segid " " and resid 1159 and name HB3 )) 2.700 0.900 0.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.17019E-02 ppm1 7.534 ppm2 1.355 CV 1 ASSI { 1098} (( segid " " and resid 1159 and name H )) (( segid " " and resid 1159 and name HB2 )) 3.700 1.700 1.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.13500E-02 ppm1 7.530 ppm2 2.038 CV 1 ASSI { 1102} (( segid " " and resid 1159 and name H )) ( segid " " and resid 1128 and name HD2%) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.43273E-03 ppm1 7.532 ppm2 0.724 CV 1 ASSI { 1103} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1161 and name HB3 )) 2.700 0.900 0.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.21140E-02 ppm1 8.202 ppm2 1.735 CV 1 OR { 1103} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1161 and name HB2 )) ASSI { 1105} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1161 and name HD2 )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.20436E-02 ppm1 8.203 ppm2 1.429 CV 1 ASSI { 1108} (( segid " " and resid 1161 and name H )) ( segid " " and resid 1192 and name HG2%) 3.900 1.900 1.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.12092E-02 ppm1 8.203 ppm2 0.950 CV 1 ASSI { 1112} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1162 and name H )) 2.700 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.20167E-02 ppm1 8.202 ppm2 9.160 CV 1 ASSI { 1115} (( segid " " and resid 1162 and name H )) (( segid " " and resid 1160 and name H )) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.47000E-03 ppm1 9.161 ppm2 8.044 CV 1 ASSI { 1116} (( segid " " and resid 1162 and name H )) (( segid " " and resid 1161 and name HA )) 3.100 1.200 1.200 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.16812E-02 ppm1 9.161 ppm2 4.000 CV 1 ASSI { 1117} (( segid " " and resid 1162 and name H )) (( segid " " and resid 1162 and name HA )) 2.700 0.900 0.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.26088E-02 ppm1 9.161 ppm2 3.917 CV 1 ASSI { 1119} (( segid " " and resid 1162 and name H )) (( segid " " and resid 1161 and name HD2 )) 4.000 2.100 2.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.95657E-03 ppm1 9.161 ppm2 1.430 CV 1 ASSI { 1121} (( segid " " and resid 1162 and name H )) (( segid " " and resid 1161 and name HB3 )) 3.000 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 9.161 ppm2 1.730 CV 1 OR { 1121} (( segid " " and resid 1162 and name H )) (( segid " " and resid 1161 and name HB2 )) ASSI { 1123} (( segid " " and resid 1162 and name H )) ( segid " " and resid 1192 and name HG1%) 3.300 1.300 1.300 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 9.160 ppm2 0.853 CV 1 ASSI { 1124} (( segid " " and resid 1162 and name H )) ( segid " " and resid 1128 and name HD1%) 4.300 2.300 1.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.81991E-03 ppm1 9.161 ppm2 0.678 CV 1 ASSI { 1126} (( segid " " and resid 1163 and name H )) ( segid " " and resid 1057 and name HG1%) 2.800 1.000 1.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.35219E-02 ppm1 8.285 ppm2 0.949 CV 1 OR { 1126} (( segid " " and resid 1163 and name H )) ( segid " " and resid 1057 and name HG2%) ASSI { 1128} (( segid " " and resid 1163 and name H )) (( segid " " and resid 1160 and name HA )) 3.200 1.300 1.300 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 8.285 ppm2 4.273 CV 1 ASSI { 1129} (( segid " " and resid 1163 and name H )) (( segid " " and resid 1163 and name HB2 )) 2.400 0.700 0.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.64290E-02 ppm1 8.285 ppm2 4.003 CV 1 OR { 1129} (( segid " " and resid 1163 and name H )) (( segid " " and resid 1163 and name HA )) ASSI { 1130} (( segid " " and resid 1163 and name H )) (( segid " " and resid 1162 and name HA )) 2.600 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.43045E-02 ppm1 8.285 ppm2 3.926 CV 1 ASSI { 1132} (( segid " " and resid 1163 and name H )) (( segid " " and resid 1166 and name H )) 3.500 1.500 1.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.10435E-02 ppm1 8.285 ppm2 8.219 CV 1 ASSI { 1133} (( segid " " and resid 1163 and name H )) (( segid " " and resid 1162 and name H )) 2.700 0.900 0.900 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.26502E-02 ppm1 8.285 ppm2 9.164 CV 1 ASSI { 1134} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1163 and name H )) 2.700 0.900 0.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.26088E-02 ppm1 7.306 ppm2 8.286 CV 1 ASSI { 1135} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1166 and name H )) 3.900 1.900 1.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.70813E-03 ppm1 7.306 ppm2 8.205 CV 1 ASSI { 1136} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1162 and name H )) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.48863E-03 ppm1 7.305 ppm2 9.165 CV 1 ASSI { 1137} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1165 and name H )) 2.700 0.900 0.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.24328E-02 ppm1 7.305 ppm2 7.954 CV 1 ASSI { 1138} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1164 and name HA )) 2.600 0.900 0.900 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.34515E-02 ppm1 7.306 ppm2 4.249 CV 1 ASSI { 1139} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1163 and name HB2 )) 2.600 0.800 0.800 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.58263E-02 ppm1 7.305 ppm2 3.984 CV 1 OR { 1139} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1163 and name HA )) ASSI { 1140} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1163 and name HB3 )) 2.500 0.800 0.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.39111E-02 ppm1 7.305 ppm2 3.906 CV 1 ASSI { 1142} (( segid " " and resid 1164 and name H )) (( segid " " and resid 1167 and name HG3 )) 3.700 1.700 1.700 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.59214E-03 ppm1 7.306 ppm2 2.160 CV 1 ASSI { 1143} (( segid " " and resid 1164 and name H )) ( segid " " and resid 1188 and name HG2%) 3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 7.305 ppm2 0.941 CV 1 ASSI { 1145} (( segid " " and resid 1165 and name H )) ( segid " " and resid 1165 and name HD2%) 3.500 1.500 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.24867E-02 ppm1 7.955 ppm2 0.855 CV 1 OR { 1145} (( segid " " and resid 1165 and name H )) ( segid " " and resid 1165 and name HD1%) ASSI { 1146} (( segid " " and resid 1165 and name H )) (( segid " " and resid 1165 and name HB2 )) 2.600 0.900 0.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.21906E-02 ppm1 7.957 ppm2 1.352 CV 1 ASSI { 1147} (( segid " " and resid 1165 and name H )) (( segid " " and resid 1165 and name HB3 )) 3.000 1.100 1.100 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.18490E-02 ppm1 7.954 ppm2 2.290 CV 1 ASSI { 1148} (( segid " " and resid 1165 and name H )) (( segid " " and resid 1165 and name HA )) 2.500 0.800 0.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.44764E-02 ppm1 7.956 ppm2 3.925 CV 1 ASSI { 1150} (( segid " " and resid 1165 and name H )) (( segid " " and resid 1166 and name H )) 2.900 1.000 1.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.14058E-02 ppm1 7.955 ppm2 8.202 CV 1 ASSI { 1152} (( segid " " and resid 1166 and name H )) (( segid " " and resid 1165 and name HA )) 2.900 1.100 1.100 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.20083E-02 ppm1 8.200 ppm2 3.927 CV 1 ASSI { 1154} (( segid " " and resid 1166 and name H )) (( segid " " and resid 1165 and name HB3 )) 3.100 1.200 1.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.72054E-03 ppm1 8.200 ppm2 2.291 CV 1 ASSI { 1155} (( segid " " and resid 1166 and name H )) (( segid " " and resid 1166 and name HB )) 2.700 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.21574E-02 ppm1 8.200 ppm2 1.907 CV 1 ASSI { 1157} (( segid " " and resid 1166 and name H )) (( segid " " and resid 1165 and name HG )) 3.600 1.600 1.600 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.12154E-02 ppm1 8.199 ppm2 1.389 CV 1 ASSI { 1160} (( segid " " and resid 1166 and name H )) ( segid " " and resid 1165 and name HD1%) 3.600 1.600 1.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 8.200 ppm2 0.856 CV 1 OR { 1160} (( segid " " and resid 1166 and name H )) ( segid " " and resid 1165 and name HD2%) ASSI { 1163} (( segid " " and resid 1167 and name H )) (( segid " " and resid 1166 and name HB )) 2.900 1.000 1.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 8.246 ppm2 1.906 CV 1 ASSI { 1164} (( segid " " and resid 1167 and name H )) (( segid " " and resid 1167 and name HG3 )) 2.300 0.700 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.49278E-02 ppm1 8.246 ppm2 2.159 CV 1 OR { 1164} (( segid " " and resid 1167 and name H )) (( segid " " and resid 1167 and name HB2 )) ASSI { 1166} (( segid " " and resid 1167 and name H )) (( segid " " and resid 1167 and name HA )) 2.700 0.900 0.900 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.28262E-02 ppm1 8.245 ppm2 3.964 CV 1 ASSI { 1171} (( segid " " and resid 1168 and name H )) (( segid " " and resid 1164 and name HA )) 2.500 0.800 0.800 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.62071E-02 ppm1 8.337 ppm2 4.257 CV 1 ASSI { 1173} (( segid " " and resid 1168 and name H )) (( segid " " and resid 1167 and name HB2 )) 2.300 0.700 0.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.47455E-02 ppm1 8.342 ppm2 2.149 CV 1 ASSI { 1175} (( segid " " and resid 1168 and name H )) ( segid " " and resid 1165 and name HD2%) 3.800 1.800 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.73501E-03 ppm1 8.340 ppm2 0.847 CV 1 ASSI { 1177} (( segid " " and resid 1168 and name H )) ( segid " " and resid 1169 and name HB% ) 4.100 2.100 1.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.90270E-03 ppm1 8.345 ppm2 1.426 CV 1 ASSI { 1179} (( segid " " and resid 1169 and name H )) (( segid " " and resid 1168 and name HG3 )) 3.900 1.900 1.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.43894E-03 ppm1 8.915 ppm2 2.275 CV 1 ASSI { 1180} (( segid " " and resid 1169 and name H )) (( segid " " and resid 1168 and name HB3 )) 2.900 1.000 1.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.16730E-02 ppm1 8.912 ppm2 2.143 CV 1 ASSI { 1181} (( segid " " and resid 1169 and name H )) (( segid " " and resid 1168 and name HB2 )) 3.800 1.800 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 8.912 ppm2 1.973 CV 1 ASSI { 1182} (( segid " " and resid 1169 and name H )) (( segid " " and resid 1170 and name HB2 )) 4.500 2.500 1.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.53832E-03 ppm1 8.914 ppm2 1.838 CV 1 ASSI { 1184} (( segid " " and resid 1169 and name H )) (( segid " " and resid 1167 and name HA )) 3.800 1.800 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.53418E-03 ppm1 8.914 ppm2 3.967 CV 1 ASSI { 1185} (( segid " " and resid 1169 and name H )) (( segid " " and resid 1169 and name HA )) 2.800 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.28096E-02 ppm1 8.913 ppm2 3.879 CV 1 ASSI { 1187} (( segid " " and resid 1169 and name H )) (( segid " " and resid 1168 and name H )) 2.700 0.900 0.900 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.26564E-02 ppm1 8.913 ppm2 8.332 CV 1 ASSI { 1188} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1169 and name H )) 3.000 1.100 1.100 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.14100E-02 ppm1 8.294 ppm2 8.915 CV 1 ASSI { 1190} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1170 and name HB3 )) 2.800 1.000 1.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 8.296 ppm2 1.939 CV 1 ASSI { 1192} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1170 and name HG2 )) 3.800 1.800 1.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.13417E-02 ppm1 8.296 ppm2 1.538 CV 1 OR { 1192} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1170 and name HD3 )) OR { 1192} (( segid " " and resid 1170 and name H )) (( segid " " and resid 1170 and name HD2 )) ASSI { 1193} (( segid " " and resid 1170 and name H )) ( segid " " and resid 1169 and name HB% ) 2.900 1.000 1.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.22547E-02 ppm1 8.298 ppm2 1.431 CV 1 ASSI { 1195} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1171 and name HG2 )) 3.000 1.100 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.16668E-02 ppm1 7.417 ppm2 1.569 CV 1 ASSI { 1197} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1171 and name HA )) 2.700 0.900 0.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.32093E-02 ppm1 7.417 ppm2 4.023 CV 1 ASSI { 1199} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1172 and name H )) 3.000 1.100 1.100 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.14058E-02 ppm1 7.418 ppm2 8.510 CV 1 ASSI { 1200} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1170 and name H )) 3.100 1.200 1.200 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.11968E-02 ppm1 7.418 ppm2 8.300 CV 1 ASSI { 1202} (( segid " " and resid 1172 and name H )) (( segid " " and resid 1169 and name HA )) 3.300 1.400 1.400 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.94205E-03 ppm1 8.509 ppm2 3.875 CV 1 ASSI { 1203} (( segid " " and resid 1172 and name H )) ( segid " " and resid 1185 and name HD2%) 3.800 1.800 1.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.86962E-03 ppm1 8.509 ppm2 0.744 CV 1 ASSI { 1208} (( segid " " and resid 1173 and name H )) (( segid " " and resid 1174 and name H )) 3.200 1.300 1.300 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 7.992 ppm2 7.877 CV 1 ASSI { 1209} (( segid " " and resid 1173 and name H )) (( segid " " and resid 1172 and name H )) 2.900 1.000 1.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.18717E-02 ppm1 7.993 ppm2 8.511 CV 1 ASSI { 1216} (( segid " " and resid 1174 and name H )) (( segid " " and resid 1173 and name HB2 )) 3.500 1.600 1.600 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.95452E-03 ppm1 7.875 ppm2 3.833 CV 1 OR { 1216} (( segid " " and resid 1174 and name H )) (( segid " " and resid 1173 and name HB3 )) ASSI { 1219} (( segid " " and resid 1174 and name H )) (( segid " " and resid 1175 and name H )) 2.900 1.000 1.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 7.874 ppm2 7.588 CV 1 ASSI { 1220} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1178 and name H )) 2.800 1.000 1.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.22900E-02 ppm1 8.645 ppm2 7.569 CV 1 ASSI { 1221} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1177 and name HA3 )) 2.900 1.100 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.31389E-02 ppm1 8.645 ppm2 3.920 CV 1 ASSI { 1222} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1177 and name HA2 )) 2.600 0.800 0.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.39650E-02 ppm1 8.645 ppm2 3.822 CV 1 ASSI { 1223} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1175 and name HA )) 4.100 2.100 1.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.51348E-03 ppm1 8.645 ppm2 5.012 CV 1 ASSI { 1224} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1176 and name HA )) 2.500 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.47228E-02 ppm1 8.645 ppm2 4.371 CV 1 ASSI { 1225} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1176 and name HB3 )) 3.800 1.800 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.10063E-02 ppm1 8.646 ppm2 2.217 CV 1 ASSI { 1226} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1176 and name HG3 )) 3.200 1.300 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 8.646 ppm2 1.960 CV 1 OR { 1226} (( segid " " and resid 1177 and name H )) (( segid " " and resid 1176 and name HG2 )) ASSI { 1227} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1178 and name HB3 )) 2.900 1.100 1.100 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.38677E-02 ppm1 7.572 ppm2 2.966 CV 1 ASSI { 1228} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1178 and name HB2 )) 2.500 0.800 0.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.39774E-02 ppm1 7.572 ppm2 2.614 CV 1 ASSI { 1229} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1178 and name HA )) 2.800 1.000 1.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.25218E-02 ppm1 7.572 ppm2 4.959 CV 1 ASSI { 1230} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1176 and name HA )) 3.000 3.000 3.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.86962E-03 ppm1 7.571 ppm2 4.369 CV 1 ASSI { 1231} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1179 and name HD3 )) 4.000 2.000 2.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.75363E-03 ppm1 7.572 ppm2 4.131 CV 1 ASSI { 1232} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1181 and name HB2 )) 3.800 1.800 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.62733E-03 ppm1 7.571 ppm2 4.027 CV 1 ASSI { 1233} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1177 and name HA3 )) 3.400 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.20332E-02 ppm1 7.571 ppm2 3.913 CV 1 ASSI { 1234} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1177 and name HA2 )) 2.900 1.000 1.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.19959E-02 ppm1 7.572 ppm2 3.824 CV 1 ASSI { 1235} (( segid " " and resid 1178 and name H )) (( segid " " and resid 1175 and name HB2 )) 3.900 1.900 1.900 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.55075E-03 ppm1 7.572 ppm2 3.272 CV 1 ASSI { 1237} (( segid " " and resid 1180 and name H )) (( segid " " and resid 1181 and name H )) 2.500 0.800 0.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.33583E-02 ppm1 8.155 ppm2 7.831 CV 1 ASSI { 1238} (( segid " " and resid 1180 and name H )) (( segid " " and resid 1178 and name HA )) 4.100 2.100 1.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.64390E-03 ppm1 8.155 ppm2 4.956 CV 1 ASSI { 1240} (( segid " " and resid 1180 and name H )) (( segid " " and resid 1179 and name HD3 )) 4.000 2.000 2.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 8.156 ppm2 4.134 CV 1 ASSI { 1242} (( segid " " and resid 1180 and name H )) (( segid " " and resid 1179 and name HD2 )) 2.900 1.000 1.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.15736E-02 ppm1 8.156 ppm2 3.910 CV 1 ASSI { 1248} (( segid " " and resid 1181 and name H )) (( segid " " and resid 1181 and name HA )) 2.800 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.25529E-02 ppm1 7.832 ppm2 4.116 CV 1 ASSI { 1250} (( segid " " and resid 1181 and name H )) (( segid " " and resid 1180 and name HB3 )) 3.400 1.400 1.400 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.18055E-02 ppm1 7.834 ppm2 2.073 CV 1 ASSI { 1254} (( segid " " and resid 1186 and name H )) (( segid " " and resid 1183 and name HA )) 3.200 1.300 1.300 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 7.815 ppm2 4.053 CV 1 ASSI { 1256} (( segid " " and resid 1186 and name H )) (( segid " " and resid 1185 and name HB2 )) 3.300 1.300 1.300 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.13417E-02 ppm1 7.815 ppm2 1.746 CV 1 ASSI { 1257} (( segid " " and resid 1186 and name H )) (( segid " " and resid 1185 and name HB3 )) 2.900 1.000 1.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.21574E-02 ppm1 7.815 ppm2 1.499 CV 1 ASSI { 1259} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1183 and name HB2 )) 2.600 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.28448E-02 ppm1 8.030 ppm2 2.111 CV 1 ASSI { 1261} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1184 and name HB3 )) 3.300 1.400 1.400 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.29856E-02 ppm1 8.031 ppm2 1.740 CV 1 ASSI { 1263} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1181 and name HA )) 3.400 1.400 1.400 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.83443E-03 ppm1 8.030 ppm2 4.127 CV 1 ASSI { 1264} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1183 and name HA )) 3.100 1.200 1.200 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.16005E-02 ppm1 8.030 ppm2 4.062 CV 1 ASSI { 1266} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1185 and name H )) 2.900 1.100 1.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.14991E-02 ppm1 8.032 ppm2 7.930 CV 1 ASSI { 1270} (( segid " " and resid 1185 and name H )) (( segid " " and resid 1185 and name HB3 )) 3.500 1.500 1.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.13707E-02 ppm1 7.941 ppm2 1.494 CV 1 OR { 1270} (( segid " " and resid 1185 and name H )) (( segid " " and resid 1185 and name HG )) ASSI { 1272} (( segid " " and resid 1188 and name H )) (( segid " " and resid 1189 and name H )) 2.900 1.000 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.16419E-02 ppm1 8.110 ppm2 8.538 CV 1 ASSI { 1273} (( segid " " and resid 1188 and name H )) (( segid " " and resid 1187 and name H )) 2.800 1.000 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 8.109 ppm2 7.908 CV 1 ASSI { 1274} (( segid " " and resid 1188 and name H )) (( segid " " and resid 1187 and name HA )) 3.300 1.300 1.300 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 8.110 ppm2 4.004 CV 1 ASSI { 1278} (( segid " " and resid 1188 and name H )) ( segid " " and resid 1191 and name HB% ) 4.100 2.100 1.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.59009E-03 ppm1 8.112 ppm2 1.512 CV 1 ASSI { 1279} (( segid " " and resid 1188 and name H )) ( segid " " and resid 1189 and name HB% ) 3.900 1.900 1.900 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.90897E-03 ppm1 8.113 ppm2 1.421 CV 1 ASSI { 1286} (( segid " " and resid 1189 and name H )) ( segid " " and resid 1102 and name HD1%) 4.200 2.200 1.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.71639E-03 ppm1 8.537 ppm2 0.717 CV 1 ASSI { 1290} (( segid " " and resid 1189 and name H )) (( segid " " and resid 1187 and name H )) 3.800 1.800 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.52797E-03 ppm1 8.540 ppm2 7.905 CV 1 ASSI { 1293} (( segid " " and resid 1097 and name H )) (( segid " " and resid 1094 and name HA )) 3.200 1.300 1.300 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 7.889 ppm2 4.382 CV 1 ASSI { 1295} (( segid " " and resid 1097 and name H )) (( segid " " and resid 1095 and name HA )) 3.600 1.600 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.66463E-03 ppm1 7.890 ppm2 3.873 CV 1 ASSI { 1298} (( segid " " and resid 1097 and name H )) ( segid " " and resid 1098 and name HG1%) 4.100 2.100 1.900 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.61287E-03 ppm1 7.888 ppm2 1.022 CV 1 ASSI { 1302} (( segid " " and resid 1192 and name H )) (( segid " " and resid 1161 and name HG2 )) 3.700 1.700 1.700 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.80129E-03 ppm1 8.109 ppm2 1.420 CV 1 ASSI { 1303} (( segid " " and resid 1192 and name H )) (( segid " " and resid 1192 and name HB )) 2.700 0.900 0.900 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.23872E-02 ppm1 8.110 ppm2 2.270 CV 1 ASSI { 1305} (( segid " " and resid 1192 and name H )) (( segid " " and resid 1189 and name HA )) 3.000 1.100 1.100 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.16481E-02 ppm1 8.110 ppm2 3.911 CV 1 ASSI { 1308} (( segid " " and resid 1192 and name H )) (( segid " " and resid 1193 and name H )) 3.000 1.200 1.200 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.11388E-02 ppm1 8.109 ppm2 8.435 CV 1 ASSI { 1315} (( segid " " and resid 1195 and name H )) (( segid " " and resid 1196 and name H )) 2.800 1.000 1.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.20415E-02 ppm1 7.638 ppm2 8.891 CV 1 ASSI { 1316} (( segid " " and resid 1195 and name H )) (( segid " " and resid 1194 and name H )) 2.800 1.000 1.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 7.637 ppm2 8.323 CV 1 ASSI { 1318} (( segid " " and resid 1195 and name H )) (( segid " " and resid 1195 and name HA )) 2.800 0.900 0.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.28800E-02 ppm1 7.638 ppm2 4.120 CV 1 ASSI { 1320} (( segid " " and resid 1195 and name H )) (( segid " " and resid 1194 and name HB2 )) 2.800 0.900 0.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.19338E-02 ppm1 7.638 ppm2 2.145 CV 1 ASSI { 1322} (( segid " " and resid 1195 and name H )) (( segid " " and resid 1196 and name HG )) 3.900 1.900 1.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.79092E-03 ppm1 7.638 ppm2 1.815 CV 1 ASSI { 1323} (( segid " " and resid 1195 and name H )) ( segid " " and resid 1191 and name HB% ) 3.000 3.000 3.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.76399E-03 ppm1 7.638 ppm2 1.522 CV 1 ASSI { 1325} (( segid " " and resid 1195 and name H )) ( segid " " and resid 1158 and name HG2%) 4.000 2.000 2.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 7.637 ppm2 0.950 CV 1 ASSI { 1327} (( segid " " and resid 1196 and name H )) (( segid " " and resid 1196 and name HB2 )) 2.800 1.000 1.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.13375E-02 ppm1 8.889 ppm2 2.163 CV 1 ASSI { 1328} (( segid " " and resid 1196 and name H )) (( segid " " and resid 1196 and name HG )) 2.700 0.900 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.19421E-02 ppm1 8.889 ppm2 1.819 CV 1 ASSI { 1329} (( segid " " and resid 1196 and name H )) ( segid " " and resid 1195 and name HB% ) 3.000 1.100 1.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.17081E-02 ppm1 8.889 ppm2 1.457 CV 1 ASSI { 1330} (( segid " " and resid 1196 and name H )) (( segid " " and resid 1196 and name HB3 )) 3.800 1.800 1.800 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.12030E-02 ppm1 8.889 ppm2 1.305 CV 1 ASSI { 1338} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1196 and name H )) 2.800 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21450E-02 ppm1 7.822 ppm2 8.890 CV 1 ASSI { 1340} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1194 and name HA )) 3.100 1.200 1.200 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 7.821 ppm2 4.057 CV 1 ASSI { 1344} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1196 and name HB3 )) 3.300 1.400 1.400 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.14783E-02 ppm1 7.822 ppm2 1.307 CV 1 ASSI { 1345} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1196 and name HG )) 3.900 1.900 1.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 7.823 ppm2 1.819 CV 1 ASSI { 1346} (( segid " " and resid 1197 and name H )) ( segid " " and resid 1196 and name HD1%) 2.700 2.700 3.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.15570E-02 ppm1 7.822 ppm2 0.844 CV 1 ASSI { 1347} (( segid " " and resid 1197 and name H )) ( segid " " and resid 1196 and name HD2%) 4.200 2.200 1.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.92759E-03 ppm1 7.823 ppm2 0.763 CV 1 ASSI { 1348} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1196 and name HB2 )) 2.700 0.900 0.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 7.822 ppm2 2.160 CV 1 ASSI { 1350} (( segid " " and resid 1198 and name H )) (( segid " " and resid 1198 and name HB3 )) 2.700 0.900 0.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.27558E-02 ppm1 7.859 ppm2 1.838 CV 1 ASSI { 1351} (( segid " " and resid 1198 and name H )) (( segid " " and resid 1198 and name HG3 )) 3.700 1.700 1.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.18386E-02 ppm1 7.860 ppm2 1.538 CV 1 ASSI { 1352} (( segid " " and resid 1198 and name H )) ( segid " " and resid 1195 and name HB% ) 3.100 3.100 2.900 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.62944E-03 ppm1 7.859 ppm2 1.462 CV 1 ASSI { 1354} (( segid " " and resid 1198 and name H )) (( segid " " and resid 1197 and name HB2 )) 3.700 1.700 1.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 7.859 ppm2 2.857 CV 1 ASSI { 1355} (( segid " " and resid 1198 and name H )) (( segid " " and resid 1197 and name HB3 )) 2.800 1.000 1.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.17723E-02 ppm1 7.859 ppm2 2.795 CV 1 ASSI { 1356} (( segid " " and resid 1198 and name H )) (( segid " " and resid 1197 and name HA )) 3.300 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.10621E-02 ppm1 7.859 ppm2 4.403 CV 1 ASSI { 1359} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1200 and name H )) 2.600 0.900 0.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.23314E-02 ppm1 7.718 ppm2 7.345 CV 1 ASSI { 1360} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1198 and name H )) 2.500 0.800 0.800 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.33666E-02 ppm1 7.718 ppm2 7.855 CV 1 ASSI { 1362} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1198 and name HA )) 3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 7.717 ppm2 4.073 CV 1 ASSI { 1363} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1196 and name HA )) 3.100 1.200 1.200 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 7.717 ppm2 3.815 CV 1 ASSI { 1365} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1199 and name HB2 )) 2.600 0.800 0.800 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.32362E-02 ppm1 7.717 ppm2 2.802 CV 1 ASSI { 1366} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1199 and name HG )) 4.200 2.200 1.800 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.72880E-03 ppm1 7.717 ppm2 2.415 CV 1 ASSI { 1368} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1198 and name HB2 )) 3.700 1.700 1.700 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 7.717 ppm2 1.946 CV 1 ASSI { 1369} (( segid " " and resid 1199 and name H )) (( segid " " and resid 1198 and name HB3 )) 3.000 1.100 1.100 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.13044E-02 ppm1 7.718 ppm2 1.834 CV 1 ASSI { 1372} (( segid " " and resid 1199 and name H )) ( segid " " and resid 1158 and name HG2%) 3.500 1.600 1.600 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.98350E-03 ppm1 7.718 ppm2 0.940 CV 1 ASSI { 1373} (( segid " " and resid 1199 and name H )) ( segid " " and resid 1091 and name HD2%) 4.100 2.100 1.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.81786E-03 ppm1 7.717 ppm2 0.839 CV 1 ASSI { 1374} (( segid " " and resid 1199 and name H )) ( segid " " and resid 1196 and name HD2%) 4.200 2.200 1.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.53626E-03 ppm1 7.717 ppm2 0.772 CV 1 ASSI { 1378} (( segid " " and resid 1200 and name H )) ( segid " " and resid 1091 and name HD2%) 3.700 1.700 1.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.10767E-02 ppm1 7.347 ppm2 0.837 CV 1 ASSI { 1380} (( segid " " and resid 1200 and name H )) (( segid " " and resid 1199 and name HB3 )) 2.700 0.900 0.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.13810E-02 ppm1 7.347 ppm2 3.011 CV 1 ASSI { 1383} (( segid " " and resid 1200 and name H )) (( segid " " and resid 1199 and name HA )) 3.300 1.400 1.400 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.10539E-02 ppm1 7.347 ppm2 4.188 CV 1 ASSI { 1385} (( segid " " and resid 1200 and name H )) (( segid " " and resid 1201 and name H )) 2.400 0.700 0.700 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.39091E-02 ppm1 7.348 ppm2 7.853 CV 1 ASSI { 1389} (( segid " " and resid 1201 and name H )) (( segid " " and resid 1197 and name HA )) 4.200 2.200 1.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.47828E-03 ppm1 7.850 ppm2 4.398 CV 1 ASSI { 1391} (( segid " " and resid 1201 and name H )) (( segid " " and resid 1199 and name HA )) 3.700 1.700 1.700 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.56524E-03 ppm1 7.851 ppm2 4.186 CV 1 ASSI { 1392} (( segid " " and resid 1201 and name H )) (( segid " " and resid 1198 and name HA )) 3.100 1.200 1.200 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.13769E-02 ppm1 7.850 ppm2 4.067 CV 1 ASSI { 1395} (( segid " " and resid 1201 and name H )) (( segid " " and resid 1200 and name HA )) 3.000 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.16170E-02 ppm1 7.848 ppm2 3.797 CV 1 ASSI { 1397} (( segid " " and resid 1201 and name H )) ( segid " " and resid 1200 and name HG1%) 3.700 1.700 1.700 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.19939E-02 ppm1 7.849 ppm2 1.011 CV 1 ASSI { 1399} (( segid " " and resid 1115 and name H )) (( segid " " and resid 1115 and name HB3 )) 3.300 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 8.540 ppm2 2.694 CV 1 ASSI { 1400} (( segid " " and resid 1115 and name H )) (( segid " " and resid 1114 and name HB3 )) 3.300 1.400 1.400 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.12112E-02 ppm1 8.541 ppm2 1.956 CV 1 OR { 1400} (( segid " " and resid 1115 and name H )) (( segid " " and resid 1114 and name HB2 )) ASSI { 1401} (( segid " " and resid 1115 and name H )) (( segid " " and resid 1115 and name HA )) 3.200 1.300 1.300 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 8.539 ppm2 4.374 CV 1 ASSI { 1402} (( segid " " and resid 1115 and name H )) (( segid " " and resid 1114 and name HA )) 3.700 1.700 1.700 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.52590E-03 ppm1 8.539 ppm2 3.812 CV 1 ASSI { 1403} (( segid " " and resid 1115 and name H )) (( segid " " and resid 1116 and name H )) 3.300 1.400 1.400 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.75158E-03 ppm1 8.540 ppm2 7.881 CV 1 ASSI { 1404} (( segid " " and resid 1044 and name H )) ( segid " " and resid 1044 and name HD% ) 3.500 1.500 1.500 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.12112E-02 ppm1 8.309 ppm2 7.223 CV 1 ASSI { 1406} (( segid " " and resid 1044 and name H )) ( segid " " and resid 1045 and name HG2%) 2.600 0.800 0.800 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.50416E-02 ppm1 8.310 ppm2 1.105 CV 1 ASSI { 1407} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1043 and name HB3 )) 3.500 1.600 1.600 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.19649E-02 ppm1 8.308 ppm2 1.594 CV 1 ASSI { 1408} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1043 and name HB2 )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 8.310 ppm2 2.069 CV 1 ASSI { 1409} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1044 and name HB2 )) 2.600 0.900 0.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.38594E-02 ppm1 8.309 ppm2 3.132 CV 1 ASSI { 1410} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1044 and name HB3 )) 2.500 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.62382E-02 ppm1 8.309 ppm2 3.017 CV 1 ASSI { 1411} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1044 and name HA )) 2.700 0.900 0.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.306 ppm2 4.641 CV 1 ASSI { 1414} (( segid " " and resid 1093 and name HD22)) (( segid " " and resid 1093 and name HD21)) 1.900 0.400 0.400 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.10736E-01 ppm1 7.930 ppm2 6.979 CV 1 ASSI { 1416} (( segid " " and resid 1093 and name HD22)) (( segid " " and resid 1090 and name HA )) 3.900 1.900 1.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 7.930 ppm2 4.379 CV 1 ASSI { 1417} (( segid " " and resid 1093 and name HD22)) (( segid " " and resid 1093 and name HB3 )) 3.800 1.800 1.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.15053E-02 ppm1 7.930 ppm2 2.913 CV 1 ASSI { 1419} (( segid " " and resid 1093 and name HD22)) (( segid " " and resid 1089 and name HG2 )) 3.200 1.300 1.300 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.92343E-03 ppm1 7.931 ppm2 2.402 CV 1 ASSI { 1421} (( segid " " and resid 1093 and name HD21)) (( segid " " and resid 1089 and name HG2 )) 3.600 1.600 1.600 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 6.977 ppm2 2.404 CV 1 ASSI { 1423} (( segid " " and resid 1093 and name HD21)) (( segid " " and resid 1093 and name HB3 )) 3.300 1.300 1.300 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.15446E-02 ppm1 6.981 ppm2 2.910 CV 1 ASSI { 1424} (( segid " " and resid 1093 and name HD21)) (( segid " " and resid 1093 and name HB2 )) 2.700 0.900 0.900 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.15301E-02 ppm1 6.979 ppm2 2.786 CV 1 ASSI { 1425} (( segid " " and resid 1093 and name HD21)) (( segid " " and resid 1093 and name HA )) 4.300 2.400 1.700 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.43066E-03 ppm1 6.979 ppm2 4.472 CV 1 ASSI { 1426} (( segid " " and resid 1093 and name HD21)) (( segid " " and resid 1090 and name HA )) 3.200 1.300 1.300 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.87583E-03 ppm1 6.980 ppm2 4.379 CV 1 ASSI { 1428} (( segid " " and resid 1183 and name H )) (( segid " " and resid 1182 and name H )) 2.900 1.100 1.100 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 8.042 ppm2 7.796 CV 1 ASSI { 1429} (( segid " " and resid 1183 and name H )) (( segid " " and resid 1183 and name HA )) 2.600 0.800 0.800 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.42797E-02 ppm1 8.042 ppm2 4.057 CV 1 ASSI { 1431} (( segid " " and resid 1183 and name H )) (( segid " " and resid 1183 and name HB2 )) 2.300 0.700 0.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.59589E-02 ppm1 8.041 ppm2 2.117 CV 1 ASSI { 1432} (( segid " " and resid 1183 and name H )) (( segid " " and resid 1183 and name HG2 )) 3.000 1.100 1.100 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.14224E-02 ppm1 8.042 ppm2 2.437 CV 1 ASSI { 1435} (( segid " " and resid 1109 and name H )) ( segid " " and resid 1109 and name HG2%) 3.200 1.300 1.300 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.20726E-02 ppm1 8.053 ppm2 0.733 CV 1 OR { 1435} (( segid " " and resid 1109 and name H )) ( segid " " and resid 1109 and name HD1%) ASSI { 1436} (( segid " " and resid 1187 and name H )) ( segid " " and resid 1186 and name HB% ) 3.000 1.100 1.100 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.16874E-02 ppm1 7.908 ppm2 1.435 CV 1 ASSI { 1439} (( segid " " and resid 1187 and name H )) (( segid " " and resid 1187 and name HB2 )) 2.700 0.900 0.900 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.18448E-02 ppm1 7.907 ppm2 2.222 CV 1 ASSI { 1441} (( segid " " and resid 1187 and name H )) (( segid " " and resid 1187 and name HA )) 2.900 1.000 1.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.20436E-02 ppm1 7.907 ppm2 4.003 CV 1 ASSI { 1442} (( segid " " and resid 1187 and name H )) (( segid " " and resid 1186 and name HA )) 3.500 1.600 1.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.79297E-03 ppm1 7.910 ppm2 3.905 CV 1 ASSI { 1443} (( segid " " and resid 1187 and name H )) (( segid " " and resid 1186 and name H )) 3.100 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 7.910 ppm2 7.821 CV 1 ASSI { 1446} (( segid " " and resid 1153 and name H )) (( segid " " and resid 1151 and name H )) 4.200 2.300 1.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.29194E-03 ppm1 9.011 ppm2 8.280 CV 1 ASSI { 1449} (( segid " " and resid 1102 and name H )) (( segid " " and resid 1101 and name H )) 3.400 1.400 1.400 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.61492E-03 ppm1 8.539 ppm2 7.831 CV 1 ASSI { 1450} (( segid " " and resid 1073 and name H )) (( segid " " and resid 1071 and name H )) 4.000 2.000 2.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.56317E-03 ppm1 7.519 ppm2 8.602 CV 1 ASSI { 1452} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1066 and name H )) 4.100 2.100 1.900 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.33335E-03 ppm1 8.483 ppm2 7.685 CV 1 ASSI { 1453} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1070 and name H )) 4.100 2.100 1.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.36441E-03 ppm1 8.481 ppm2 7.932 CV 1 ASSI { 1454} (( segid " " and resid 1067 and name H )) (( segid " " and resid 1069 and name H )) 4.400 2.400 1.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.29815E-03 ppm1 8.297 ppm2 7.534 CV 1 ASSI { 1456} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1060 and name H )) 3.600 1.700 1.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.61287E-03 ppm1 7.422 ppm2 8.372 CV 1 ASSI { 1458} (( segid " " and resid 1054 and name H )) (( segid " " and resid 1052 and name H )) 4.300 2.300 1.700 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.30436E-03 ppm1 7.976 ppm2 8.212 CV 1 ASSI { 1460} (( segid " " and resid 1051 and name H )) (( segid " " and resid 1053 and name H )) 3.900 1.900 1.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.62112E-03 ppm1 7.776 ppm2 7.976 CV 1 ASSI { 1461} (( segid " " and resid 1052 and name H )) (( segid " " and resid 1050 and name H )) 3.900 1.900 1.900 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.56524E-03 ppm1 8.211 ppm2 8.421 CV 1 ASSI { 1462} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1043 and name HA )) 2.100 0.500 0.500 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.13133E-01 ppm1 8.309 ppm2 4.272 CV 1 ASSI { 1463} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1061 and name H )) 2.700 0.900 0.900 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 7.422 ppm2 8.224 CV 1 ASSI { 1464} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1064 and name H )) 3.900 1.900 1.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.47621E-03 ppm1 7.424 ppm2 8.406 CV 1 ASSI { 1465} (( segid " " and resid 1062 and name H )) (( segid " " and resid 1063 and name HA )) 4.800 2.900 1.200 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.33128E-03 ppm1 7.422 ppm2 4.315 CV 1 ASSI { 1469} (( segid " " and resid 1184 and name H )) (( segid " " and resid 1182 and name HA )) 3.800 1.800 1.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.55489E-03 ppm1 8.030 ppm2 3.891 CV 1 ASSI { 1472} (( segid " " and resid 1136 and name H )) (( segid " " and resid 1132 and name HA )) 3.800 1.800 1.800 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.50106E-03 ppm1 7.863 ppm2 3.718 CV 1 ASSI { 1478} (( segid " " and resid 1197 and name HD21)) (( segid " " and resid 1197 and name HB2 )) 3.300 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 6.859 ppm2 2.863 CV 1 ASSI { 1480} (( segid " " and resid 1197 and name HD22)) (( segid " " and resid 1197 and name HB2 )) 3.500 1.500 1.500 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 7.492 ppm2 2.856 CV 1 ASSI { 1482} (( segid " " and resid 1194 and name HE21)) (( segid " " and resid 1194 and name HG2 )) 2.200 0.600 0.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.60004E-02 ppm1 6.866 ppm2 2.515 CV 1 ASSI { 1483} (( segid " " and resid 1194 and name HE21)) (( segid " " and resid 1194 and name HG3 )) 3.500 1.500 1.500 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.86130E-03 ppm1 6.868 ppm2 2.344 CV 1 ASSI { 1490} (( segid " " and resid 1197 and name HD21)) (( segid " " and resid 1198 and name H )) 3.700 1.700 1.700 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.50934E-03 ppm1 6.856 ppm2 7.850 CV 1 ASSI { 1492} (( segid " " and resid 1182 and name H )) (( segid " " and resid 1182 and name HG3 )) 4.100 2.100 1.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.50520E-03 ppm1 7.794 ppm2 2.456 CV 1 ASSI { 1494} (( segid " " and resid 1182 and name HE21)) (( segid " " and resid 1182 and name HE22)) 2.300 0.700 0.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.34888E-02 ppm1 6.423 ppm2 7.368 CV 1 ASSI { 1498} (( segid " " and resid 1182 and name HE22)) (( segid " " and resid 1182 and name HG3 )) 4.500 2.500 1.500 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.43066E-03 ppm1 7.377 ppm2 2.456 CV 1 ASSI { 1500} (( segid " " and resid 1081 and name H )) (( segid " " and resid 1080 and name HB2 )) 3.800 1.800 1.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.36441E-03 ppm1 8.699 ppm2 1.772 CV 1 ASSI { 1501} (( segid " " and resid 1180 and name H )) (( segid " " and resid 1179 and name HG2 )) 2.400 0.700 0.700 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.25757E-02 ppm1 8.153 ppm2 1.970 CV 1 ASSI { 1502} (( segid " " and resid 1167 and name H )) (( segid " " and resid 1165 and name H )) 4.000 2.000 2.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.40167E-03 ppm1 8.241 ppm2 7.959 CV 1 ASSI { 1503} (( segid " " and resid 1167 and name H )) (( segid " " and resid 1166 and name HA )) 3.800 1.800 1.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.45965E-03 ppm1 8.245 ppm2 3.501 CV 1 ASSI { 1504} (( segid " " and resid 1090 and name H )) ( segid " " and resid 1091 and name HD1%) 4.900 3.000 1.100 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.37269E-03 ppm1 9.037 ppm2 0.832 CV 1 ASSI { 1505} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1199 and name H )) 3.900 1.900 1.900 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 7.823 ppm2 7.724 CV 1 ASSI { 1506} (( segid " " and resid 1197 and name HD22)) (( segid " " and resid 1197 and name HA )) 4.200 2.200 1.800 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.55075E-03 ppm1 7.492 ppm2 4.403 CV 1 ASSI { 1508} (( segid " " and resid 1197 and name H )) ( segid " " and resid 1195 and name HB% ) 3.300 1.400 1.400 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.44722E-03 ppm1 7.821 ppm2 1.459 CV 1 ASSI { 1510} (( segid " " and resid 1197 and name H )) ( segid " " and resid 1200 and name HG1%) 4.500 2.500 1.500 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.30436E-03 ppm1 7.822 ppm2 1.013 CV 1 ASSI { 1511} (( segid " " and resid 1197 and name H )) ( segid " " and resid 1158 and name HG2%) 4.200 2.200 1.800 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.52797E-03 ppm1 7.823 ppm2 0.940 CV 1 ASSI { 1512} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1157 and name HA )) 4.000 2.000 2.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.49899E-03 ppm1 8.203 ppm2 4.504 CV 1 ASSI { 1514} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1161 and name HE3 )) 5.300 3.500 0.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.26088E-03 ppm1 8.204 ppm2 2.939 CV 1 OR { 1514} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1161 and name HE2 )) ASSI { 1515} (( segid " " and resid 1161 and name H )) ( segid " " and resid 1159 and name HD1%) 3.300 1.400 1.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.42445E-03 ppm1 8.200 ppm2 0.853 CV 1 ASSI { 1516} (( segid " " and resid 1161 and name H )) ( segid " " and resid 1158 and name HG1%) 4.100 2.100 1.900 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.39339E-03 ppm1 8.200 ppm2 0.800 CV 1 ASSI { 1517} (( segid " " and resid 1161 and name H )) (( segid " " and resid 1162 and name HA )) 4.700 2.800 1.300 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.36855E-03 ppm1 8.199 ppm2 3.912 CV 1 ASSI { 1518} (( segid " " and resid 1093 and name HD21)) (( segid " " and resid 1093 and name H )) 3.700 1.700 1.700 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.52590E-03 ppm1 6.980 ppm2 8.808 CV 1 ASSI { 1520} (( segid " " and resid 1059 and name HD22)) (( segid " " and resid 1059 and name HB3 )) 3.700 1.700 1.700 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.20705E-02 ppm1 6.904 ppm2 2.955 CV 1 ASSI { 1521} (( segid " " and resid 1059 and name HD22)) (( segid " " and resid 1059 and name HB2 )) 3.800 1.800 1.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.16895E-02 ppm1 6.907 ppm2 2.873 CV 1 ASSI { 1522} (( segid " " and resid 1059 and name HD22)) (( segid " " and resid 1058 and name HB2 )) 3.600 1.600 1.600 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.45965E-03 ppm1 6.913 ppm2 1.960 CV 1 ASSI { 1523} (( segid " " and resid 1059 and name HD22)) (( segid " " and resid 1056 and name HA )) 4.500 2.500 1.500 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.51555E-03 ppm1 6.906 ppm2 3.624 CV 1 ASSI { 1525} (( segid " " and resid 1059 and name HD22)) (( segid " " and resid 1059 and name HA )) 4.400 2.400 1.600 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.42652E-03 ppm1 6.903 ppm2 4.484 CV 1 ASSI { 1526} (( segid " " and resid 1059 and name HD22)) (( segid " " and resid 1059 and name HD21)) 1.600 0.300 0.600 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.31382E-01 ppm1 6.905 ppm2 7.432 CV 1 ASSI { 1527} (( segid " " and resid 1059 and name HD22)) (( segid " " and resid 1059 and name H )) 4.000 2.000 2.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.75778E-03 ppm1 6.906 ppm2 8.143 CV 1 ASSI { 1530} (( segid " " and resid 1059 and name HD21)) (( segid " " and resid 1059 and name HA )) 4.200 2.200 1.800 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.61287E-03 ppm1 7.431 ppm2 4.485 CV 1 ASSI { 1532} (( segid " " and resid 1059 and name HD21)) (( segid " " and resid 1055 and name HB3 )) 4.300 2.300 1.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.37683E-03 ppm1 7.432 ppm2 3.952 CV 1 OR { 1532} (( segid " " and resid 1059 and name HD21)) (( segid " " and resid 1055 and name HB2 )) ASSI { 1534} (( segid " " and resid 1059 and name HD21)) (( segid " " and resid 1059 and name HB3 )) 3.100 1.200 1.200 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.24721E-02 ppm1 7.430 ppm2 2.953 CV 1 ASSI { 1535} (( segid " " and resid 1059 and name HD21)) (( segid " " and resid 1058 and name HB2 )) 4.000 2.000 2.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.42859E-03 ppm1 7.432 ppm2 1.954 CV 1 ASSI { 1538} (( segid " " and resid 1058 and name HE22)) (( segid " " and resid 1054 and name HG )) 3.900 1.900 1.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.67909E-03 ppm1 6.740 ppm2 1.498 CV 1 ASSI { 1539} (( segid " " and resid 1058 and name HE22)) (( segid " " and resid 1058 and name HB2 )) 4.400 2.400 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.48449E-03 ppm1 6.744 ppm2 1.934 CV 1 ASSI { 1540} (( segid " " and resid 1058 and name HE22)) (( segid " " and resid 1058 and name HG3 )) 3.400 1.500 1.500 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.24701E-02 ppm1 6.741 ppm2 2.358 CV 1 ASSI { 1541} (( segid " " and resid 1058 and name HE22)) (( segid " " and resid 1058 and name HG2 )) 3.700 1.700 1.700 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.15673E-02 ppm1 6.742 ppm2 2.553 CV 1 ASSI { 1542} (( segid " " and resid 1058 and name HE22)) (( segid " " and resid 1058 and name HE21)) 1.600 0.300 0.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.33125E-01 ppm1 6.742 ppm2 7.417 CV 1 ASSI { 1544} (( segid " " and resid 1058 and name HE21)) (( segid " " and resid 1058 and name HA )) 5.100 3.200 0.900 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.22568E-03 ppm1 7.424 ppm2 4.143 CV 1 ASSI { 1547} (( segid " " and resid 1058 and name HE21)) (( segid " " and resid 1054 and name HG )) 3.400 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.59009E-03 ppm1 7.417 ppm2 1.499 CV 1 ASSI { 1550} (( segid " " and resid 1197 and name H )) (( segid " " and resid 1197 and name HD22)) 5.300 3.500 0.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.34991E-03 ppm1 7.823 ppm2 7.489 CV 1 ASSI { 1551} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1068 and name HD2 )) 3.800 1.800 1.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.15777E-02 ppm1 8.481 ppm2 1.583 CV 1 OR { 1551} (( segid " " and resid 1068 and name H )) (( segid " " and resid 1068 and name HD3 )) ASSI { 1552} (( segid " " and resid 1068 and name H )) ( segid " " and resid 1071 and name HB% ) 4.300 2.300 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.44308E-03 ppm1 8.481 ppm2 1.270 CV 1 ASSI { 1553} (( segid " " and resid 1187 and name H )) ( segid " " and resid 1188 and name HG2%) 5.400 3.700 0.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.24225E-03 ppm1 7.930 ppm2 0.929 CV 1 ASSI { 1556} (( segid " " and resid 1101 and name H )) ( segid " " and resid 1101 and name HB% ) 3.600 1.600 1.600 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.50727E-03 ppm1 7.838 ppm2 1.489 CV 1 ASSI { 1562} (( segid " " and resid 1143 and name H )) (( segid " " and resid 1142 and name H )) 4.200 2.200 1.800 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.29194E-03 ppm1 8.429 ppm2 7.534 CV 1 ASSI { 1563} (( segid " " and resid 1105 and name H )) (( segid " " and resid 1102 and name HA )) 3.900 1.900 1.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.34991E-03 ppm1 8.432 ppm2 3.376 CV 1 ASSI { 1566} (( segid " " and resid 1116 and name H )) ( segid " " and resid 1116 and name HE% ) 5.700 4.100 0.300 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.12423E-03 ppm1 7.884 ppm2 6.773 CV 1 ASSI { 1569} (( segid " " and resid 1116 and name H )) (( segid " " and resid 1116 and name HB2 )) 3.100 1.200 1.200 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.84684E-03 ppm1 7.880 ppm2 3.014 CV 1 ASSI { 1571} (( segid " " and resid 1116 and name H )) (( segid " " and resid 1115 and name HB3 )) 3.300 1.300 1.300 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.11264E-02 ppm1 7.878 ppm2 2.685 CV 1 ASSI { 1572} (( segid " " and resid 1116 and name H )) ( segid " " and resid 1117 and name HB% ) 4.700 2.700 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.42445E-03 ppm1 7.880 ppm2 1.304 CV 1 ASSI { 1573} (( segid " " and resid 1115 and name H )) ( segid " " and resid 1116 and name HD% ) 5.500 3.800 0.500 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.12216E-03 ppm1 8.546 ppm2 7.014 CV 1 ASSI { 1574} (( segid " " and resid 1109 and name H )) (( segid " " and resid 1109 and name HG12)) 3.700 1.700 1.700 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.55696E-03 ppm1 8.054 ppm2 1.074 CV 1 ASSI { 1575} (( segid " " and resid 1183 and name H )) (( segid " " and resid 1184 and name HG3 )) 3.700 1.800 1.800 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 8.048 ppm2 1.463 CV 1 ASSI { 1576} (( segid " " and resid 1109 and name H )) (( segid " " and resid 1109 and name HG13)) 3.300 1.300 1.300 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.12319E-02 ppm1 8.053 ppm2 1.679 CV 1 ASSI { 1580} (( segid " " and resid 1154 and name H )) ( segid " " and resid 1150 and name HD1%) 3.600 1.600 1.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.92964E-03 ppm1 8.585 ppm2 0.838 CV 1 ASSI { 1582} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1171 and name HE3 )) 4.500 2.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.27952E-03 ppm1 7.417 ppm2 2.836 CV 1 OR { 1582} (( segid " " and resid 1171 and name H )) (( segid " " and resid 1171 and name HE2 )) ASSI { 1583} (( segid " " and resid 1171 and name H )) ( segid " " and resid 1185 and name HD2%) 4.700 2.800 1.300 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.24432E-03 ppm1 7.414 ppm2 0.747 CV 1 ASSI { 1585} (( segid " " and resid 1048 and name H )) (( segid " " and resid 1047 and name HB2 )) 3.200 1.200 1.200 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 7.921 ppm2 2.229 CV 1 ASSI { 1586} (( segid " " and resid 1108 and name H )) (( segid " " and resid 1107 and name HA2 )) 3.100 1.200 1.200 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.12941E-02 ppm1 7.994 ppm2 3.881 CV 1 ASSI { 1} (( segid " " and resid 1175 and name HD2 )) (( segid " " and resid 1175 and name H )) 3.500 1.600 1.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.63851E-03 ppm1 7.193 ppm2 7.581 CV 1 ASSI { 3} (( segid " " and resid 1175 and name HD2 )) (( segid " " and resid 1175 and name HB3 )) 3.700 1.700 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 7.191 ppm2 3.013 CV 1 ASSI { 4} (( segid " " and resid 1175 and name HD2 )) (( segid " " and resid 1171 and name HB2 )) 4.100 2.100 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.36692E-03 ppm1 7.192 ppm2 1.902 CV 1 OR { 4} (( segid " " and resid 1175 and name HD2 )) (( segid " " and resid 1171 and name HB3 )) ASSI { 5} (( segid " " and resid 1175 and name HD2 )) ( segid " " and resid 1172 and name HB% ) 4.900 3.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.40631E-03 ppm1 7.193 ppm2 1.407 CV 1 ASSI { 6} (( segid " " and resid 1175 and name HD2 )) (( segid " " and resid 1175 and name HA )) 4.000 2.000 2.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.42911E-03 ppm1 7.195 ppm2 5.011 CV 1 ASSI { 7} (( segid " " and resid 1175 and name HD2 )) (( segid " " and resid 1174 and name H )) 4.100 2.100 1.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.37314E-03 ppm1 7.199 ppm2 7.863 CV 1 ASSI { 10} ( segid " " and resid 1044 and name HD% ) (( segid " " and resid 1044 and name HA )) 3.500 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.76704E-03 ppm1 7.220 ppm2 4.649 CV 1 ASSI { 11} ( segid " " and resid 1116 and name HE% ) (( segid " " and resid 1116 and name HA )) 3.800 1.800 1.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.10863E-02 ppm1 6.768 ppm2 4.411 CV 1 ASSI { 13} ( segid " " and resid 1116 and name HD% ) ( segid " " and resid 1116 and name HE% ) 1.900 0.500 0.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.25711E-01 ppm1 7.010 ppm2 6.773 CV 1 ASSI { 15} ( segid " " and resid 1116 and name HD% ) (( segid " " and resid 1116 and name H )) 3.500 1.500 1.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.96395E-03 ppm1 7.012 ppm2 7.876 CV 1 ASSI { 16} ( segid " " and resid 1116 and name HD% ) (( segid " " and resid 1116 and name HB2 )) 3.100 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.13702E-02 ppm1 7.011 ppm2 3.028 CV 1 ASSI { 17} ( segid " " and resid 1116 and name HD% ) (( segid " " and resid 1116 and name HB3 )) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.12749E-02 ppm1 7.011 ppm2 2.814 CV 1 ASSI { 18} ( segid " " and resid 1116 and name HD% ) (( segid " " and resid 1119 and name HB )) 3.500 1.600 1.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.81885E-03 ppm1 7.012 ppm2 1.797 CV 1 ASSI { 23} ( segid " " and resid 1116 and name HD% ) (( segid " " and resid 1119 and name HG12)) 4.900 3.000 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.45606E-03 ppm1 7.009 ppm2 1.105 CV 1 ASSI { 24} (( segid " " and resid 1175 and name HE1 )) (( segid " " and resid 1172 and name HA )) 4.400 2.400 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.48716E-03 ppm1 8.297 ppm2 4.046 CV 1 ASSI { 25} (( segid " " and resid 1175 and name HE1 )) (( segid " " and resid 1171 and name HB2 )) 4.400 2.400 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.34205E-03 ppm1 8.299 ppm2 1.899 CV 1 OR { 25} (( segid " " and resid 1175 and name HE1 )) (( segid " " and resid 1171 and name HB3 )) ASSI { 26} ( segid " " and resid 1116 and name HD% ) (( segid " " and resid 1117 and name H )) 4.100 2.100 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.65924E-03 ppm1 7.011 ppm2 8.522 CV 1
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