NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
519093 | 2l10 | 17070 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid " " and resid 1307 and name HA2 )) (( segid " " and resid 1308 and name HB )) 4.200 2.200 1.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.44753E-03 ppm1 4.057 ppm2 2.074 CV 1 OR { 2} (( segid " " and resid 1307 and name HA2 )) (( segid " " and resid 1308 and name HG12)) ASSI { 3} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1243 and name HB2 )) 3.100 3.100 2.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 0.842 ppm2 2.965 CV 1 ASSI { 4} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1353 and name HB2 )) 3.200 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.11080E-02 ppm1 3.817 ppm2 3.034 CV 1 OR { 4} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1353 and name HB3 )) ASSI { 6} (( segid " " and resid 1284 and name HA )) (( segid " " and resid 1287 and name HG3 )) 3.800 1.800 1.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 4.029 ppm2 2.235 CV 1 ASSI { 7} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1273 and name HD2 )) 3.200 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 1.857 ppm2 3.247 CV 1 OR { 7} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1273 and name HD3 )) ASSI { 12} (( segid " " and resid 1286 and name HA )) ( segid " " and resid 1286 and name HG1%) 2.500 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.50432E-02 ppm1 3.589 ppm2 1.011 CV 1 OR { 12} (( segid " " and resid 1286 and name HA )) ( segid " " and resid 1286 and name HG2%) ASSI { 13} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1306 and name HG3 )) 2.000 0.500 0.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.68921E-02 ppm1 1.492 ppm2 1.773 CV 1 OR { 13} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1306 and name HD3 )) ASSI { 14} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1211 and name HB3 )) 2.900 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19259E-02 ppm1 4.546 ppm2 2.875 CV 1 ASSI { 20} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1239 and name HG3 )) 2.600 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.37994E-02 ppm1 1.708 ppm2 2.044 CV 1 OR { 20} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1239 and name HG2 )) ASSI { 21} (( segid " " and resid 1245 and name HA )) ( segid " " and resid 1280 and name HG2%) 3.700 1.700 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.79010E-03 ppm1 4.309 ppm2 1.269 CV 1 ASSI { 24} (( segid " " and resid 1271 and name HA )) (( segid " " and resid 1209 and name HA )) 3.800 1.800 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13025E-02 ppm1 4.115 ppm2 3.769 CV 1 ASSI { 25} (( segid " " and resid 1271 and name HB2 )) (( segid " " and resid 1209 and name HA )) 2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.22346E-02 ppm1 3.610 ppm2 3.766 CV 1 ASSI { 26} (( segid " " and resid 1271 and name HB3 )) (( segid " " and resid 1209 and name H )) 2.900 2.900 3.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.24568E-02 ppm1 4.065 ppm2 8.265 CV 1 ASSI { 27} (( segid " " and resid 1271 and name HB3 )) (( segid " " and resid 1208 and name HA )) 3.000 1.100 1.100 peak 27 spectrum 1 weight 0.10000E+01 volume 0.20586E-02 ppm1 4.065 ppm2 4.549 CV 1 ASSI { 31} (( segid " " and resid 1312 and name HA )) (( segid " " and resid 1313 and name HB2 )) 3.600 3.600 2.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 4.219 ppm2 3.823 CV 1 ASSI { 33} (( segid " " and resid 1327 and name HA )) (( segid " " and resid 1332 and name HE2 )) 2.900 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.24568E-02 ppm1 4.444 ppm2 2.999 CV 1 OR { 33} (( segid " " and resid 1327 and name HA )) (( segid " " and resid 1332 and name HE3 )) ASSI { 35} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1261 and name HG3 )) 3.100 3.100 2.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.18364E-02 ppm1 3.921 ppm2 1.753 CV 1 ASSI { 36} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1349 and name HB2 )) 2.700 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.92623E-02 ppm1 1.050 ppm2 1.723 CV 1 ASSI { 37} (( segid " " and resid 1309 and name HB2 )) (( segid " " and resid 1278 and name HZ )) 2.800 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.24351E-02 ppm1 4.455 ppm2 7.404 CV 1 OR { 37} (( segid " " and resid 1309 and name HB2 )) ( segid " " and resid 1278 and name HE% ) ASSI { 41} (( segid " " and resid 1316 and name HA )) (( segid " " and resid 1316 and name HB3 )) 2.500 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.26451E-02 ppm1 3.991 ppm2 1.304 CV 1 ASSI { 43} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1350 and name HG12)) 2.800 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.83180E-02 ppm1 0.571 ppm2 1.588 CV 1 OR { 43} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1350 and name HG13)) ASSI { 52} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1271 and name HA )) 2.800 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.34999E-02 ppm1 0.595 ppm2 4.095 CV 1 OR { 52} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1271 and name HB3 )) ASSI { 56} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1298 and name HG2 )) 2.600 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.29352E-02 ppm1 1.075 ppm2 1.738 CV 1 ASSI { 57} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1303 and name H )) 3.700 1.700 1.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.16698E-02 ppm1 1.075 ppm2 8.524 CV 1 ASSI { 60} ( segid " " and resid 1349 and name HD2%) ( segid " " and resid 1305 and name HD2%) 2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.19722E-02 ppm1 1.082 ppm2 0.751 CV 1 ASSI { 62} ( segid " " and resid 1213 and name HD2%) ( segid " " and resid 1274 and name HE% ) 3.900 1.900 1.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14135E-02 ppm1 0.880 ppm2 7.123 CV 1 ASSI { 64} (( segid " " and resid 1227 and name HG )) ( segid " " and resid 1227 and name HD2%) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.10284E-01 ppm1 1.595 ppm2 0.880 CV 1 OR { 64} (( segid " " and resid 1227 and name HG )) ( segid " " and resid 1227 and name HD1%) ASSI { 65} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1213 and name HB3 )) 2.300 2.300 3.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.95153E-02 ppm1 0.947 ppm2 1.791 CV 1 ASSI { 67} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1285 and name H )) 3.700 3.700 2.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 0.929 ppm2 8.837 CV 1 ASSI { 68} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1219 and name HA )) 3.300 1.400 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 0.929 ppm2 4.266 CV 1 ASSI { 72} ( segid " " and resid 1224 and name HD1%) (( segid " " and resid 1306 and name HE3 )) 3.600 1.600 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.61728E-03 ppm1 0.847 ppm2 2.862 CV 1 OR { 72} ( segid " " and resid 1224 and name HD1%) (( segid " " and resid 1306 and name HE2 )) ASSI { 73} (( segid " " and resid 1264 and name HB3 )) (( segid " " and resid 1265 and name HG3 )) 2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.55617E-02 ppm1 1.975 ppm2 2.535 CV 1 OR { 73} (( segid " " and resid 1264 and name HB2 )) (( segid " " and resid 1265 and name HG3 )) ASSI { 75} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1285 and name HA2 )) 2.900 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.34537E-02 ppm1 0.733 ppm2 3.398 CV 1 ASSI { 77} (( segid " " and resid 1213 and name HA )) (( segid " " and resid 1213 and name HB3 )) 2.400 0.700 0.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.46574E-02 ppm1 3.899 ppm2 1.817 CV 1 OR { 77} (( segid " " and resid 1213 and name HA )) (( segid " " and resid 1213 and name HB2 )) ASSI { 80} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1328 and name HA )) 3.100 3.100 2.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 1.047 ppm2 4.681 CV 1 ASSI { 82} ( segid " " and resid 1301 and name HG2%) ( segid " " and resid 1288 and name HE% ) 2.400 0.700 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.63426E-02 ppm1 0.823 ppm2 1.814 CV 1 ASSI { 84} (( segid " " and resid 1314 and name HE2 )) (( segid " " and resid 1314 and name HG3 )) 2.600 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.35432E-02 ppm1 2.952 ppm2 1.449 CV 1 OR { 84} (( segid " " and resid 1314 and name HE3 )) (( segid " " and resid 1314 and name HG3 )) ASSI { 85} (( segid " " and resid 1320 and name HE2 )) ( segid " " and resid 1317 and name HD2%) 3.200 1.300 1.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.12901E-02 ppm1 2.947 ppm2 0.850 CV 1 ASSI { 90} (( segid " " and resid 1276 and name HG2 )) (( segid " " and resid 1276 and name H )) 3.000 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.51913E-02 ppm1 2.475 ppm2 7.682 CV 1 OR { 90} (( segid " " and resid 1276 and name HG3 )) (( segid " " and resid 1276 and name H )) ASSI { 93} (( segid " " and resid 1310 and name HG2 )) (( segid " " and resid 1310 and name HB3 )) 2.400 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.48796E-02 ppm1 2.679 ppm2 2.361 CV 1 ASSI { 94} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1264 and name HB2 )) 2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.29259E-02 ppm1 4.315 ppm2 1.976 CV 1 OR { 94} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1264 and name HB3 )) ASSI { 95} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1265 and name HG3 )) 3.100 3.100 2.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.38641E-02 ppm1 4.315 ppm2 2.534 CV 1 ASSI { 96} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1264 and name HD3 )) 3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 4.317 ppm2 3.972 CV 1 OR { 96} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1264 and name HD2 )) ASSI { 99} (( segid " " and resid 1332 and name HG2 )) (( segid " " and resid 1261 and name HG3 )) 2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.43580E-02 ppm1 1.330 ppm2 1.753 CV 1 OR { 99} (( segid " " and resid 1332 and name HG3 )) (( segid " " and resid 1261 and name HG3 )) ASSI { 100} (( segid " " and resid 1332 and name HG2 )) ( segid " " and resid 1322 and name HD1%) 3.200 1.300 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 1.331 ppm2 0.986 CV 1 OR { 100} (( segid " " and resid 1332 and name HG3 )) ( segid " " and resid 1322 and name HD1%) OR { 100} (( segid " " and resid 1332 and name HG3 )) ( segid " " and resid 1322 and name HD2%) ASSI { 101} (( segid " " and resid 1332 and name HE3 )) ( segid " " and resid 1322 and name HD1%) 2.800 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.20185E-02 ppm1 3.001 ppm2 0.989 CV 1 OR { 101} (( segid " " and resid 1332 and name HE2 )) ( segid " " and resid 1322 and name HD1%) ASSI { 102} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1332 and name HA )) 4.100 2.100 1.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.89506E-03 ppm1 3.006 ppm2 3.940 CV 1 OR { 102} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1332 and name HA )) ASSI { 103} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1306 and name HG3 )) 3.000 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.18735E-02 ppm1 4.041 ppm2 1.770 CV 1 OR { 103} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1306 and name HD2 )) ASSI { 106} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1314 and name HE2 )) 3.700 3.700 2.300 peak 106 spectrum 1 weight 0.10000E+01 volume 0.93211E-03 ppm1 1.493 ppm2 2.953 CV 1 OR { 106} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1314 and name HE3 )) ASSI { 107} (( segid " " and resid 1236 and name HG3 )) (( segid " " and resid 1236 and name HA )) 2.800 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.29784E-02 ppm1 2.580 ppm2 3.988 CV 1 OR { 107} (( segid " " and resid 1236 and name HG2 )) (( segid " " and resid 1236 and name HA )) ASSI { 109} (( segid " " and resid 1236 and name HG2 )) (( segid " " and resid 1236 and name H )) 3.700 1.700 1.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 2.579 ppm2 8.704 CV 1 OR { 109} (( segid " " and resid 1236 and name HG3 )) (( segid " " and resid 1236 and name H )) ASSI { 111} (( segid " " and resid 1306 and name HD3 )) (( segid " " and resid 1314 and name HE2 )) 3.100 3.100 2.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.25586E-02 ppm1 1.747 ppm2 2.952 CV 1 OR { 111} (( segid " " and resid 1306 and name HD3 )) (( segid " " and resid 1314 and name HE3 )) OR { 111} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1314 and name HE3 )) OR { 111} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1314 and name HE2 )) ASSI { 112} (( segid " " and resid 1340 and name HD3 )) (( segid " " and resid 1341 and name H )) 4.100 2.100 1.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 3.250 ppm2 7.610 CV 1 OR { 112} (( segid " " and resid 1340 and name HD2 )) (( segid " " and resid 1341 and name H )) ASSI { 114} (( segid " " and resid 1340 and name HG2 )) (( segid " " and resid 1340 and name HD3 )) 2.100 0.500 0.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12068E-01 ppm1 1.784 ppm2 3.267 CV 1 OR { 114} (( segid " " and resid 1340 and name HG2 )) (( segid " " and resid 1340 and name HD2 )) ASSI { 117} (( segid " " and resid 1298 and name HB2 )) (( segid " " and resid 1298 and name HD3 )) 3.400 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.92594E-03 ppm1 2.057 ppm2 3.229 CV 1 OR { 117} (( segid " " and resid 1298 and name HB2 )) (( segid " " and resid 1298 and name HD2 )) ASSI { 120} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1288 and name HG2 )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.23642E-02 ppm1 0.829 ppm2 2.318 CV 1 ASSI { 122} ( segid " " and resid 1286 and name HG1%) (( segid " " and resid 1223 and name HB2 )) 4.000 2.000 2.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 0.979 ppm2 1.921 CV 1 ASSI { 127} (( segid " " and resid 1253 and name HA )) ( segid " " and resid 1253 and name HB% ) 2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.55833E-02 ppm1 4.038 ppm2 1.613 CV 1 ASSI { 128} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1313 and name HB2 )) 2.700 2.700 3.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13673E-02 ppm1 1.093 ppm2 3.823 CV 1 ASSI { 131} (( segid " " and resid 1258 and name HG3 )) (( segid " " and resid 1258 and name HB3 )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.68427E-02 ppm1 2.492 ppm2 2.137 CV 1 OR { 131} (( segid " " and resid 1258 and name HG3 )) (( segid " " and resid 1258 and name HB2 )) ASSI { 132} (( segid " " and resid 1258 and name HA )) (( segid " " and resid 1261 and name HD3 )) 3.200 3.200 2.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 3.982 ppm2 3.230 CV 1 OR { 132} (( segid " " and resid 1258 and name HA )) (( segid " " and resid 1261 and name HD2 )) ASSI { 134} ( segid " " and resid 1357 and name HB% ) (( segid " " and resid 1357 and name H )) 3.100 1.200 1.200 peak 134 spectrum 1 weight 0.10000E+01 volume 0.19352E-02 ppm1 1.333 ppm2 7.928 CV 1 ASSI { 135} ( segid " " and resid 1357 and name HB% ) (( segid " " and resid 1357 and name HA )) 2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.30617E-02 ppm1 1.334 ppm2 4.114 CV 1 ASSI { 136} (( segid " " and resid 1299 and name HA )) (( segid " " and resid 1302 and name HB )) 2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.35710E-02 ppm1 4.123 ppm2 2.201 CV 1 ASSI { 137} (( segid " " and resid 1337 and name HA )) (( segid " " and resid 1340 and name HB2 )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.36852E-02 ppm1 4.142 ppm2 1.972 CV 1 ASSI { 140} (( segid " " and resid 1321 and name HA )) ( segid " " and resid 1321 and name HB% ) 2.200 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.11833E-01 ppm1 4.141 ppm2 1.520 CV 1 ASSI { 142} (( segid " " and resid 1217 and name HA2 )) (( segid " " and resid 1218 and name H )) 3.700 1.700 1.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 3.838 ppm2 9.113 CV 1 ASSI { 144} (( segid " " and resid 1217 and name HA2 )) (( segid " " and resid 1217 and name H )) 3.000 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.30524E-02 ppm1 3.838 ppm2 8.264 CV 1 ASSI { 145} (( segid " " and resid 1217 and name HA2 )) (( segid " " and resid 1217 and name HA3 )) 1.900 0.500 0.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10787E-01 ppm1 3.840 ppm2 4.029 CV 1 ASSI { 150} (( segid " " and resid 1233 and name HA3 )) (( segid " " and resid 1234 and name H )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.30247E-02 ppm1 4.062 ppm2 8.080 CV 1 ASSI { 151} (( segid " " and resid 1233 and name HA3 )) (( segid " " and resid 1233 and name HA2 )) 1.900 0.400 0.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.12114E-01 ppm1 4.061 ppm2 4.328 CV 1 ASSI { 153} (( segid " " and resid 1233 and name HA2 )) ( segid " " and resid 1234 and name HG2%) 3.800 1.800 1.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.51234E-03 ppm1 4.330 ppm2 1.311 CV 1 ASSI { 156} (( segid " " and resid 1248 and name HA2 )) (( segid " " and resid 1249 and name H )) 3.500 1.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.13950E-02 ppm1 3.885 ppm2 8.138 CV 1 ASSI { 157} (( segid " " and resid 1248 and name HA2 )) (( segid " " and resid 1248 and name H )) 2.900 1.000 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.41419E-02 ppm1 3.884 ppm2 8.019 CV 1 ASSI { 158} (( segid " " and resid 1248 and name HA3 )) (( segid " " and resid 1248 and name HA2 )) 1.900 0.500 0.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.10905E-01 ppm1 3.968 ppm2 3.885 CV 1 ASSI { 159} (( segid " " and resid 1248 and name HA2 )) (( segid " " and resid 1251 and name HG3 )) 4.400 2.400 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.34259E-03 ppm1 3.893 ppm2 2.450 CV 1 ASSI { 160} (( segid " " and resid 1248 and name HA3 )) (( segid " " and resid 1251 and name HB3 )) 4.200 2.200 1.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.65432E-03 ppm1 3.966 ppm2 2.287 CV 1 ASSI { 162} (( segid " " and resid 1248 and name HA3 )) (( segid " " and resid 1251 and name HB2 )) 4.400 2.400 1.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.73765E-03 ppm1 3.967 ppm2 2.222 CV 1 ASSI { 164} (( segid " " and resid 1248 and name HA3 )) ( segid " " and resid 1247 and name HB% ) 4.800 2.900 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.36728E-03 ppm1 3.965 ppm2 1.585 CV 1 ASSI { 165} (( segid " " and resid 1262 and name HA2 )) (( segid " " and resid 1263 and name H )) 3.500 1.500 1.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.27932E-02 ppm1 4.573 ppm2 9.156 CV 1 ASSI { 166} (( segid " " and resid 1262 and name HA3 )) (( segid " " and resid 1263 and name H )) 2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.34321E-02 ppm1 3.981 ppm2 9.154 CV 1 ASSI { 169} (( segid " " and resid 1262 and name HA3 )) (( segid " " and resid 1262 and name HA2 )) 2.000 0.500 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.90245E-02 ppm1 3.982 ppm2 4.573 CV 1 ASSI { 171} (( segid " " and resid 1262 and name HA3 )) (( segid " " and resid 1266 and name HB2 )) 3.900 1.900 1.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 3.984 ppm2 3.311 CV 1 ASSI { 174} (( segid " " and resid 1272 and name HA2 )) (( segid " " and resid 1272 and name H )) 2.900 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.37531E-02 ppm1 4.086 ppm2 7.960 CV 1 ASSI { 176} (( segid " " and resid 1272 and name HA3 )) (( segid " " and resid 1272 and name H )) 2.600 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.31358E-02 ppm1 3.912 ppm2 7.966 CV 1 ASSI { 179} (( segid " " and resid 1272 and name HA2 )) (( segid " " and resid 1272 and name HA3 )) 2.000 0.500 0.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.93147E-02 ppm1 4.086 ppm2 3.913 CV 1 ASSI { 183} (( segid " " and resid 1275 and name HA3 )) (( segid " " and resid 1278 and name H )) 4.400 2.500 1.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.39814E-03 ppm1 4.107 ppm2 9.028 CV 1 ASSI { 186} (( segid " " and resid 1275 and name HA2 )) (( segid " " and resid 1275 and name H )) 3.000 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.26018E-02 ppm1 3.666 ppm2 8.501 CV 1 ASSI { 191} (( segid " " and resid 1275 and name HA2 )) ( segid " " and resid 1274 and name HD% ) 3.500 1.500 1.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.49383E-03 ppm1 3.664 ppm2 6.917 CV 1 ASSI { 192} (( segid " " and resid 1275 and name HA3 )) ( segid " " and resid 1278 and name HD% ) 5.000 3.100 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.33333E-03 ppm1 4.115 ppm2 7.137 CV 1 ASSI { 193} (( segid " " and resid 1275 and name HA2 )) (( segid " " and resid 1275 and name HA3 )) 1.900 0.500 0.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.84412E-02 ppm1 3.666 ppm2 4.117 CV 1 ASSI { 195} (( segid " " and resid 1275 and name HA3 )) (( segid " " and resid 1212 and name HA )) 3.300 1.400 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.78702E-03 ppm1 4.111 ppm2 4.403 CV 1 ASSI { 197} (( segid " " and resid 1275 and name HA3 )) (( segid " " and resid 1278 and name HB3 )) 4.300 2.300 1.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.65432E-03 ppm1 4.112 ppm2 3.130 CV 1 ASSI { 199} (( segid " " and resid 1275 and name HA3 )) (( segid " " and resid 1278 and name HB2 )) 4.800 2.900 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 4.117 ppm2 2.634 CV 1 ASSI { 200} (( segid " " and resid 1275 and name HA2 )) ( segid " " and resid 1212 and name HB% ) 3.900 1.900 1.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.88582E-03 ppm1 3.666 ppm2 1.564 CV 1 ASSI { 201} (( segid " " and resid 1275 and name HA2 )) ( segid " " and resid 1213 and name HD2%) 4.100 2.100 1.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.77469E-03 ppm1 3.668 ppm2 0.879 CV 1 ASSI { 202} (( segid " " and resid 1275 and name HA2 )) ( segid " " and resid 1216 and name HG2%) 2.900 1.100 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.12747E-02 ppm1 3.666 ppm2 0.794 CV 1 ASSI { 203} (( segid " " and resid 1275 and name HA3 )) ( segid " " and resid 1213 and name HD2%) 4.200 2.200 1.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.58024E-03 ppm1 4.121 ppm2 0.875 CV 1 ASSI { 205} (( segid " " and resid 1285 and name HA2 )) (( segid " " and resid 1285 and name H )) 3.000 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.25309E-02 ppm1 3.372 ppm2 8.883 CV 1 ASSI { 207} (( segid " " and resid 1285 and name HA2 )) (( segid " " and resid 1286 and name H )) 3.500 1.500 1.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 3.371 ppm2 8.574 CV 1 ASSI { 210} (( segid " " and resid 1285 and name HA3 )) (( segid " " and resid 1288 and name H )) 4.600 2.600 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.33950E-03 ppm1 3.157 ppm2 7.757 CV 1 ASSI { 211} (( segid " " and resid 1285 and name HA3 )) (( segid " " and resid 1284 and name H )) 4.800 2.900 1.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.41667E-03 ppm1 3.154 ppm2 7.430 CV 1 ASSI { 212} (( segid " " and resid 1285 and name HA3 )) (( segid " " and resid 1285 and name HA2 )) 2.000 0.500 0.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.65188E-02 ppm1 3.156 ppm2 3.373 CV 1 ASSI { 214} (( segid " " and resid 1285 and name HA2 )) (( segid " " and resid 1288 and name HB3 )) 4.000 2.000 2.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.50925E-03 ppm1 3.364 ppm2 1.801 CV 1 OR { 214} (( segid " " and resid 1285 and name HA2 )) (( segid " " and resid 1288 and name HB2 )) ASSI { 216} (( segid " " and resid 1285 and name HA3 )) ( segid " " and resid 1284 and name HB% ) 4.600 2.700 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.34259E-03 ppm1 3.157 ppm2 1.236 CV 1 ASSI { 217} (( segid " " and resid 1285 and name HA2 )) ( segid " " and resid 1349 and name HD1%) 3.800 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.44444E-03 ppm1 3.370 ppm2 1.053 CV 1 ASSI { 218} (( segid " " and resid 1285 and name HA3 )) ( segid " " and resid 1349 and name HD1%) 4.300 2.300 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.40432E-03 ppm1 3.157 ppm2 1.056 CV 1 ASSI { 219} (( segid " " and resid 1285 and name HA2 )) ( segid " " and resid 1242 and name HD2%) 3.100 1.200 1.200 peak 219 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 3.373 ppm2 0.831 CV 1 ASSI { 220} (( segid " " and resid 1285 and name HA3 )) ( segid " " and resid 1242 and name HD2%) 4.100 2.100 1.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.94443E-03 ppm1 3.156 ppm2 0.832 CV 1 ASSI { 223} (( segid " " and resid 1285 and name HA2 )) ( segid " " and resid 1305 and name HD1%) 3.700 1.700 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 3.372 ppm2 0.653 CV 1 ASSI { 224} (( segid " " and resid 1285 and name HA3 )) ( segid " " and resid 1305 and name HD1%) 2.900 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.12901E-02 ppm1 3.156 ppm2 0.654 CV 1 ASSI { 230} (( segid " " and resid 1290 and name HA3 )) (( segid " " and resid 1292 and name H )) 4.600 2.600 1.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.33333E-03 ppm1 4.005 ppm2 7.396 CV 1 ASSI { 234} (( segid " " and resid 1307 and name HA3 )) (( segid " " and resid 1308 and name H )) 3.000 1.100 1.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 4.269 ppm2 8.582 CV 1 ASSI { 235} (( segid " " and resid 1307 and name HA2 )) (( segid " " and resid 1308 and name H )) 3.600 1.700 1.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.93519E-03 ppm1 4.055 ppm2 8.582 CV 1 ASSI { 236} (( segid " " and resid 1307 and name HA3 )) (( segid " " and resid 1306 and name H )) 4.900 3.000 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.45370E-03 ppm1 4.270 ppm2 8.833 CV 1 ASSI { 237} (( segid " " and resid 1307 and name HA2 )) (( segid " " and resid 1306 and name H )) 5.000 3.200 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.37963E-03 ppm1 4.048 ppm2 8.828 CV 1 ASSI { 238} (( segid " " and resid 1307 and name HA3 )) (( segid " " and resid 1307 and name H )) 2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 4.269 ppm2 8.152 CV 1 ASSI { 240} (( segid " " and resid 1307 and name HA3 )) (( segid " " and resid 1304 and name HA )) 3.700 1.700 1.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.57407E-03 ppm1 4.269 ppm2 4.704 CV 1 ASSI { 241} (( segid " " and resid 1307 and name HA2 )) (( segid " " and resid 1304 and name HA )) 4.700 2.800 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.42592E-03 ppm1 4.058 ppm2 4.706 CV 1 ASSI { 242} (( segid " " and resid 1307 and name HA3 )) (( segid " " and resid 1307 and name HA2 )) 2.000 0.500 0.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.93397E-02 ppm1 4.269 ppm2 4.054 CV 1 ASSI { 245} (( segid " " and resid 1307 and name HA3 )) (( segid " " and resid 1310 and name HB2 )) 4.700 2.800 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.39506E-03 ppm1 4.269 ppm2 2.301 CV 1 ASSI { 246} (( segid " " and resid 1307 and name HA3 )) (( segid " " and resid 1308 and name HB )) 3.900 1.900 1.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.62036E-03 ppm1 4.267 ppm2 2.085 CV 1 ASSI { 247} (( segid " " and resid 1307 and name HA2 )) (( segid " " and resid 1310 and name HB3 )) 3.700 1.700 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.80249E-03 ppm1 4.056 ppm2 2.381 CV 1 ASSI { 248} (( segid " " and resid 1307 and name HA2 )) (( segid " " and resid 1310 and name HB2 )) 3.100 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.72840E-03 ppm1 4.055 ppm2 2.291 CV 1 ASSI { 249} (( segid " " and resid 1212 and name HA )) (( segid " " and resid 1212 and name H )) 2.700 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.32006E-02 ppm1 4.400 ppm2 7.827 CV 1 ASSI { 250} (( segid " " and resid 1212 and name HA )) (( segid " " and resid 1213 and name H )) 3.300 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.95984E-03 ppm1 4.401 ppm2 8.286 CV 1 ASSI { 251} ( segid " " and resid 1212 and name HB% ) (( segid " " and resid 1213 and name H )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.42253E-02 ppm1 1.564 ppm2 8.287 CV 1 ASSI { 252} ( segid " " and resid 1299 and name HB% ) (( segid " " and resid 1300 and name H )) 2.500 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.57036E-02 ppm1 1.559 ppm2 7.860 CV 1 ASSI { 253} ( segid " " and resid 1212 and name HB% ) (( segid " " and resid 1212 and name H )) 2.300 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.85738E-02 ppm1 1.564 ppm2 7.826 CV 1 ASSI { 255} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1245 and name H )) 2.200 0.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.94566E-02 ppm1 1.536 ppm2 8.481 CV 1 ASSI { 256} ( segid " " and resid 1212 and name HB% ) (( segid " " and resid 1212 and name HA )) 2.200 0.600 0.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.10629E-01 ppm1 1.564 ppm2 4.400 CV 1 ASSI { 258} ( segid " " and resid 1299 and name HB% ) (( segid " " and resid 1299 and name HA )) 1.900 0.500 0.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.23034E-01 ppm1 1.558 ppm2 4.120 CV 1 ASSI { 259} ( segid " " and resid 1212 and name HB% ) (( segid " " and resid 1272 and name HA2 )) 2.500 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.38919E-02 ppm1 1.565 ppm2 4.091 CV 1 ASSI { 260} ( segid " " and resid 1212 and name HB% ) (( segid " " and resid 1209 and name HA )) 2.500 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.49135E-02 ppm1 1.564 ppm2 3.745 CV 1 ASSI { 261} ( segid " " and resid 1212 and name HB% ) (( segid " " and resid 1271 and name HB2 )) 3.200 1.300 1.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.28765E-02 ppm1 1.564 ppm2 3.622 CV 1 ASSI { 262} (( segid " " and resid 1212 and name HA )) (( segid " " and resid 1275 and name HA2 )) 4.500 2.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.57098E-03 ppm1 4.398 ppm2 3.670 CV 1 ASSI { 263} (( segid " " and resid 1227 and name HA )) (( segid " " and resid 1227 and name HB2 )) 2.300 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.87378E-02 ppm1 4.401 ppm2 1.557 CV 1 OR { 263} (( segid " " and resid 1227 and name HA )) (( segid " " and resid 1227 and name HB3 )) ASSI { 265} ( segid " " and resid 1212 and name HB% ) ( segid " " and resid 1213 and name HD2%) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.57345E-02 ppm1 1.564 ppm2 0.875 CV 1 ASSI { 266} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1350 and name HG12)) 1.900 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.13963E-01 ppm1 0.843 ppm2 1.579 CV 1 ASSI { 267} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1349 and name HB3 )) 3.300 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.73765E-03 ppm1 0.846 ppm2 2.307 CV 1 ASSI { 268} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1350 and name HB )) 3.200 1.300 1.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.30308E-02 ppm1 0.843 ppm2 2.204 CV 1 ASSI { 269} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1242 and name HB2 )) 3.800 1.800 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.99997E-03 ppm1 0.842 ppm2 2.034 CV 1 ASSI { 270} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1243 and name HB3 )) 2.900 2.900 3.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.92286E-03 ppm1 0.845 ppm2 2.844 CV 1 ASSI { 271} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1350 and name HA )) 2.300 0.600 0.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.58366E-02 ppm1 0.843 ppm2 3.818 CV 1 ASSI { 272} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1246 and name HA )) 3.000 3.000 3.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.78394E-03 ppm1 0.843 ppm2 4.022 CV 1 ASSI { 273} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1347 and name HA )) 2.600 2.600 3.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.20370E-02 ppm1 0.843 ppm2 4.497 CV 1 ASSI { 274} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1243 and name HA )) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.30679E-02 ppm1 0.843 ppm2 4.363 CV 1 ASSI { 275} ( segid " " and resid 1350 and name HD1%) ( segid " " and resid 1281 and name HE% ) 3.100 1.200 1.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.90431E-03 ppm1 0.844 ppm2 6.989 CV 1 ASSI { 277} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1350 and name H )) 2.900 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24815E-02 ppm1 0.843 ppm2 8.409 CV 1 ASSI { 280} (( segid " " and resid 1283 and name HG2 )) ( segid " " and resid 1223 and name HD1%) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.44629E-02 ppm1 2.206 ppm2 0.939 CV 1 ASSI { 282} (( segid " " and resid 1350 and name HB )) (( segid " " and resid 1350 and name HG12)) 2.500 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.29012E-02 ppm1 2.204 ppm2 1.580 CV 1 ASSI { 283} ( segid " " and resid 1350 and name HG2%) (( segid " " and resid 1350 and name HG12)) 2.800 1.000 1.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.91728E-02 ppm1 0.953 ppm2 1.580 CV 1 ASSI { 284} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1350 and name HG12)) 2.900 1.000 1.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.29228E-02 ppm1 3.818 ppm2 1.583 CV 1 ASSI { 285} ( segid " " and resid 1350 and name HG2%) (( segid " " and resid 1350 and name HB )) 2.100 0.600 0.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.10991E-01 ppm1 0.953 ppm2 2.203 CV 1 ASSI { 286} ( segid " " and resid 1308 and name HD1%) (( segid " " and resid 1308 and name HB )) 2.600 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.91635E-02 ppm1 0.953 ppm2 2.084 CV 1 ASSI { 287} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1349 and name HB3 )) 3.800 1.800 1.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.59570E-03 ppm1 3.819 ppm2 2.306 CV 1 ASSI { 288} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1350 and name HB )) 2.800 1.000 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.24877E-02 ppm1 3.818 ppm2 2.205 CV 1 ASSI { 290} ( segid " " and resid 1350 and name HG2%) (( segid " " and resid 1350 and name HA )) 2.200 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.11290E-01 ppm1 0.953 ppm2 3.821 CV 1 ASSI { 291} ( segid " " and resid 1308 and name HD1%) (( segid " " and resid 1346 and name HA )) 3.800 1.800 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 0.954 ppm2 3.631 CV 1 ASSI { 292} ( segid " " and resid 1350 and name HG2%) (( segid " " and resid 1347 and name HA )) 3.500 1.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.22685E-02 ppm1 0.952 ppm2 4.492 CV 1 ASSI { 294} ( segid " " and resid 1308 and name HD1%) (( segid " " and resid 1305 and name HA )) 3.800 1.800 1.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.21080E-02 ppm1 0.954 ppm2 4.191 CV 1 ASSI { 295} ( segid " " and resid 1308 and name HD1%) (( segid " " and resid 1308 and name HA )) 2.600 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.73428E-02 ppm1 0.953 ppm2 4.007 CV 1 ASSI { 296} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1349 and name HA )) 3.200 3.200 2.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.58024E-03 ppm1 0.842 ppm2 4.244 CV 1 ASSI { 298} ( segid " " and resid 1308 and name HD1%) ( segid " " and resid 1278 and name HE% ) 2.500 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.39784E-02 ppm1 0.953 ppm2 7.364 CV 1 ASSI { 299} ( segid " " and resid 1308 and name HD1%) ( segid " " and resid 1274 and name HE% ) 3.400 1.500 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.16913E-02 ppm1 0.953 ppm2 7.123 CV 1 ASSI { 300} ( segid " " and resid 1308 and name HD1%) ( segid " " and resid 1281 and name HE% ) 2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.43950E-02 ppm1 0.953 ppm2 6.985 CV 1 ASSI { 302} (( segid " " and resid 1283 and name HG2 )) (( segid " " and resid 1284 and name H )) 3.100 3.100 2.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.70061E-03 ppm1 2.209 ppm2 7.428 CV 1 ASSI { 303} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1349 and name H )) 3.400 1.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.40123E-03 ppm1 0.842 ppm2 7.598 CV 1 ASSI { 305} (( segid " " and resid 1283 and name HG2 )) (( segid " " and resid 1283 and name H )) 3.700 1.700 1.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.17438E-02 ppm1 2.207 ppm2 7.855 CV 1 ASSI { 308} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1354 and name H )) 3.800 1.800 1.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.41358E-03 ppm1 3.818 ppm2 7.761 CV 1 ASSI { 309} ( segid " " and resid 1350 and name HG2%) (( segid " " and resid 1350 and name H )) 3.300 1.400 1.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.36821E-02 ppm1 0.953 ppm2 8.404 CV 1 ASSI { 310} ( segid " " and resid 1350 and name HG2%) (( segid " " and resid 1351 and name H )) 3.300 1.300 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 0.953 ppm2 8.245 CV 1 ASSI { 311} ( segid " " and resid 1308 and name HD1%) (( segid " " and resid 1309 and name H )) 3.200 1.300 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.16512E-02 ppm1 0.954 ppm2 8.860 CV 1 ASSI { 312} ( segid " " and resid 1308 and name HD1%) (( segid " " and resid 1312 and name H )) 3.200 1.200 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 0.955 ppm2 8.767 CV 1 ASSI { 313} ( segid " " and resid 1308 and name HD1%) (( segid " " and resid 1308 and name H )) 4.100 2.100 1.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.17994E-02 ppm1 0.954 ppm2 8.582 CV 1 ASSI { 314} (( segid " " and resid 1350 and name HB )) (( segid " " and resid 1350 and name H )) 2.600 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.33148E-02 ppm1 2.204 ppm2 8.403 CV 1 ASSI { 316} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1350 and name H )) 2.600 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.29228E-02 ppm1 3.819 ppm2 8.402 CV 1 ASSI { 317} (( segid " " and resid 1350 and name HA )) (( segid " " and resid 1351 and name H )) 3.200 1.300 1.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.10432E-02 ppm1 3.818 ppm2 8.243 CV 1 ASSI { 318} (( segid " " and resid 1225 and name HA )) (( segid " " and resid 1225 and name H )) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.27993E-02 ppm1 4.510 ppm2 7.405 CV 1 ASSI { 319} (( segid " " and resid 1225 and name HB3 )) (( segid " " and resid 1225 and name H )) 3.100 1.200 1.200 peak 319 spectrum 1 weight 0.10000E+01 volume 0.20987E-02 ppm1 3.895 ppm2 7.404 CV 1 ASSI { 320} (( segid " " and resid 1344 and name HA )) (( segid " " and resid 1347 and name HD21)) 3.100 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 4.499 ppm2 7.692 CV 1 ASSI { 322} (( segid " " and resid 1210 and name HA )) (( segid " " and resid 1210 and name H )) 2.400 0.700 0.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.55833E-02 ppm1 4.482 ppm2 8.272 CV 1 ASSI { 323} (( segid " " and resid 1225 and name HA )) (( segid " " and resid 1226 and name H )) 2.700 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.35740E-02 ppm1 4.510 ppm2 8.182 CV 1 ASSI { 324} (( segid " " and resid 1266 and name HA )) (( segid " " and resid 1269 and name H )) 3.100 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 4.452 ppm2 8.171 CV 1 ASSI { 326} (( segid " " and resid 1297 and name HA )) (( segid " " and resid 1298 and name H )) 3.100 1.200 1.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.16512E-02 ppm1 4.478 ppm2 8.142 CV 1 ASSI { 327} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1205 and name H )) 3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.17747E-02 ppm1 4.524 ppm2 8.025 CV 1 ASSI { 328} (( segid " " and resid 1225 and name HB2 )) (( segid " " and resid 1226 and name H )) 3.700 1.700 1.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 3.980 ppm2 8.183 CV 1 ASSI { 332} (( segid " " and resid 1225 and name HB2 )) (( segid " " and resid 1225 and name HA )) 2.600 0.800 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.43734E-02 ppm1 3.980 ppm2 4.511 CV 1 ASSI { 333} (( segid " " and resid 1225 and name HB3 )) (( segid " " and resid 1225 and name HA )) 2.600 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.48024E-02 ppm1 3.895 ppm2 4.510 CV 1 ASSI { 336} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1204 and name HB3 )) 2.400 0.700 0.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.53148E-02 ppm1 4.524 ppm2 3.250 CV 1 ASSI { 337} (( segid " " and resid 1231 and name HB2 )) (( segid " " and resid 1231 and name H )) 3.200 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.16481E-02 ppm1 3.938 ppm2 8.602 CV 1 ASSI { 338} (( segid " " and resid 1231 and name HB3 )) (( segid " " and resid 1231 and name H )) 3.100 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.17438E-02 ppm1 3.881 ppm2 8.603 CV 1 ASSI { 339} (( segid " " and resid 1231 and name HB3 )) (( segid " " and resid 1232 and name H )) 3.600 1.600 1.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 3.880 ppm2 9.039 CV 1 ASSI { 340} (( segid " " and resid 1231 and name HB2 )) (( segid " " and resid 1232 and name H )) 3.700 1.700 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.10124E-02 ppm1 3.937 ppm2 9.036 CV 1 ASSI { 347} (( segid " " and resid 1231 and name HB2 )) (( segid " " and resid 1231 and name HA )) 2.600 0.900 0.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.35370E-02 ppm1 3.938 ppm2 4.590 CV 1 ASSI { 350} (( segid " " and resid 1279 and name HA )) (( segid " " and resid 1282 and name HB3 )) 2.900 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 3.876 ppm2 1.462 CV 1 ASSI { 351} (( segid " " and resid 1260 and name HB2 )) ( segid " " and resid 1322 and name HD2%) 3.000 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 3.893 ppm2 0.974 CV 1 ASSI { 352} (( segid " " and resid 1260 and name HB2 )) ( segid " " and resid 1335 and name HD2%) 2.900 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.17068E-02 ppm1 3.888 ppm2 0.883 CV 1 ASSI { 353} (( segid " " and resid 1202 and name HA )) (( segid " " and resid 1202 and name H )) 3.300 1.400 1.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.90431E-03 ppm1 4.942 ppm2 8.528 CV 1 ASSI { 354} (( segid " " and resid 1202 and name HB3 )) (( segid " " and resid 1202 and name H )) 3.700 1.700 1.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.88274E-03 ppm1 2.678 ppm2 8.527 CV 1 ASSI { 355} (( segid " " and resid 1202 and name HB2 )) (( segid " " and resid 1202 and name H )) 3.500 1.500 1.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.81482E-03 ppm1 2.828 ppm2 8.526 CV 1 ASSI { 356} (( segid " " and resid 1218 and name HB2 )) (( segid " " and resid 1218 and name H )) 2.500 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.36049E-02 ppm1 2.842 ppm2 9.113 CV 1 ASSI { 357} (( segid " " and resid 1218 and name HB3 )) (( segid " " and resid 1218 and name H )) 3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.24846E-02 ppm1 2.684 ppm2 9.114 CV 1 ASSI { 358} (( segid " " and resid 1202 and name HB2 )) (( segid " " and resid 1202 and name HA )) 2.900 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.26697E-02 ppm1 2.829 ppm2 4.942 CV 1 ASSI { 359} (( segid " " and resid 1202 and name HB3 )) (( segid " " and resid 1202 and name HA )) 2.500 0.800 0.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.42561E-02 ppm1 2.678 ppm2 4.942 CV 1 ASSI { 360} (( segid " " and resid 1202 and name HB3 )) (( segid " " and resid 1203 and name HD2 )) 3.700 1.700 1.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.92286E-03 ppm1 2.678 ppm2 3.904 CV 1 ASSI { 361} (( segid " " and resid 1202 and name HB3 )) (( segid " " and resid 1203 and name HD3 )) 3.800 1.800 1.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.14661E-02 ppm1 2.679 ppm2 3.798 CV 1 ASSI { 362} (( segid " " and resid 1202 and name HA )) (( segid " " and resid 1203 and name HD2 )) 2.100 0.500 0.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12114E-01 ppm1 4.943 ppm2 3.902 CV 1 ASSI { 363} (( segid " " and resid 1202 and name HA )) (( segid " " and resid 1203 and name HD3 )) 2.200 0.600 0.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.10401E-01 ppm1 4.943 ppm2 3.797 CV 1 ASSI { 364} (( segid " " and resid 1202 and name HB2 )) (( segid " " and resid 1203 and name HD3 )) 4.300 2.300 1.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.90739E-03 ppm1 2.829 ppm2 3.796 CV 1 ASSI { 368} (( segid " " and resid 1202 and name HB2 )) (( segid " " and resid 1202 and name HB3 )) 1.800 0.400 0.400 peak 368 spectrum 1 weight 0.10000E+01 volume 0.20259E-01 ppm1 2.829 ppm2 2.680 CV 1 ASSI { 369} (( segid " " and resid 1235 and name HB2 )) (( segid " " and resid 1235 and name H )) 3.200 1.200 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.15617E-02 ppm1 3.396 ppm2 9.101 CV 1 ASSI { 370} (( segid " " and resid 1235 and name HB2 )) (( segid " " and resid 1236 and name H )) 3.300 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 3.395 ppm2 8.705 CV 1 ASSI { 371} (( segid " " and resid 1235 and name HB3 )) (( segid " " and resid 1235 and name H )) 3.200 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 3.021 ppm2 9.102 CV 1 ASSI { 373} (( segid " " and resid 1235 and name HA )) (( segid " " and resid 1235 and name H )) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.11389E-02 ppm1 3.987 ppm2 9.101 CV 1 ASSI { 375} (( segid " " and resid 1235 and name HA )) (( segid " " and resid 1239 and name H )) 3.700 1.700 1.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.62960E-03 ppm1 3.989 ppm2 8.568 CV 1 ASSI { 376} (( segid " " and resid 1274 and name HB3 )) (( segid " " and resid 1275 and name H )) 3.000 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 3.016 ppm2 8.501 CV 1 ASSI { 380} (( segid " " and resid 1235 and name HB2 )) ( segid " " and resid 1235 and name HD% ) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.24969E-02 ppm1 3.395 ppm2 7.178 CV 1 ASSI { 381} (( segid " " and resid 1274 and name HB2 )) ( segid " " and resid 1274 and name HD% ) 2.800 1.000 1.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 3.405 ppm2 6.923 CV 1 ASSI { 382} (( segid " " and resid 1235 and name HB3 )) ( segid " " and resid 1235 and name HD% ) 2.800 1.000 1.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 3.021 ppm2 7.178 CV 1 ASSI { 383} (( segid " " and resid 1274 and name HB3 )) ( segid " " and resid 1274 and name HD% ) 2.600 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.24105E-02 ppm1 3.014 ppm2 6.922 CV 1 ASSI { 384} (( segid " " and resid 1235 and name HA )) ( segid " " and resid 1235 and name HD% ) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 3.987 ppm2 7.180 CV 1 ASSI { 385} (( segid " " and resid 1235 and name HB2 )) (( segid " " and resid 1234 and name HB )) 3.800 1.800 1.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.83947E-03 ppm1 3.395 ppm2 4.715 CV 1 ASSI { 386} (( segid " " and resid 1235 and name HB3 )) (( segid " " and resid 1234 and name HB )) 3.800 3.800 2.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.71916E-03 ppm1 3.023 ppm2 4.719 CV 1 ASSI { 387} (( segid " " and resid 1274 and name HB3 )) (( segid " " and resid 1271 and name HA )) 2.900 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 3.015 ppm2 4.116 CV 1 ASSI { 388} (( segid " " and resid 1235 and name HB3 )) (( segid " " and resid 1235 and name HA )) 2.700 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.36234E-02 ppm1 3.020 ppm2 3.975 CV 1 ASSI { 389} (( segid " " and resid 1274 and name HB2 )) (( segid " " and resid 1271 and name HA )) 3.400 1.400 1.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.15062E-02 ppm1 3.403 ppm2 4.114 CV 1 ASSI { 390} (( segid " " and resid 1235 and name HB2 )) (( segid " " and resid 1235 and name HA )) 2.500 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.41512E-02 ppm1 3.396 ppm2 3.982 CV 1 ASSI { 395} (( segid " " and resid 1235 and name HB2 )) (( segid " " and resid 1291 and name HB3 )) 3.800 1.800 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.54629E-03 ppm1 3.398 ppm2 2.590 CV 1 ASSI { 396} (( segid " " and resid 1235 and name HA )) (( segid " " and resid 1291 and name HB3 )) 3.200 1.300 1.300 peak 396 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 3.987 ppm2 2.599 CV 1 ASSI { 397} (( segid " " and resid 1235 and name HA )) (( segid " " and resid 1291 and name HG2 )) 3.600 1.600 1.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 3.988 ppm2 2.220 CV 1 ASSI { 398} (( segid " " and resid 1274 and name HB3 )) ( segid " " and resid 1316 and name HD2%) 3.700 1.700 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.59256E-03 ppm1 3.015 ppm2 0.812 CV 1 ASSI { 400} (( segid " " and resid 1274 and name HB2 )) ( segid " " and resid 1316 and name HD2%) 4.700 2.800 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.65432E-03 ppm1 3.407 ppm2 0.815 CV 1 ASSI { 403} (( segid " " and resid 1274 and name HB3 )) ( segid " " and resid 1252 and name HB% ) 4.800 2.800 1.200 peak 403 spectrum 1 weight 0.10000E+01 volume 0.70985E-03 ppm1 3.017 ppm2 1.858 CV 1 ASSI { 404} (( segid " " and resid 1235 and name HB2 )) (( segid " " and resid 1291 and name HB2 )) 3.900 3.900 2.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.51852E-03 ppm1 3.399 ppm2 2.040 CV 1 ASSI { 405} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1239 and name H )) 2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.40494E-02 ppm1 1.394 ppm2 8.563 CV 1 ASSI { 406} (( segid " " and resid 1238 and name HA )) (( segid " " and resid 1241 and name H )) 3.300 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 4.032 ppm2 8.089 CV 1 ASSI { 409} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1238 and name H )) 2.300 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.82220E-02 ppm1 1.393 ppm2 7.996 CV 1 ASSI { 410} ( segid " " and resid 1339 and name HB% ) (( segid " " and resid 1339 and name H )) 2.000 0.500 0.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.13784E-01 ppm1 1.381 ppm2 8.454 CV 1 ASSI { 411} (( segid " " and resid 1238 and name HA )) (( segid " " and resid 1239 and name H )) 3.300 1.300 1.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 4.029 ppm2 8.570 CV 1 ASSI { 412} (( segid " " and resid 1284 and name HA )) (( segid " " and resid 1285 and name H )) 3.400 1.400 1.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.99997E-03 ppm1 4.029 ppm2 8.883 CV 1 ASSI { 413} (( segid " " and resid 1284 and name HA )) (( segid " " and resid 1284 and name H )) 2.700 0.900 0.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.34567E-02 ppm1 4.030 ppm2 7.428 CV 1 ASSI { 416} ( segid " " and resid 1339 and name HB% ) (( segid " " and resid 1341 and name H )) 3.200 1.300 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.19568E-02 ppm1 1.383 ppm2 7.595 CV 1 ASSI { 417} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1291 and name HE21)) 3.500 1.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.73148E-03 ppm1 1.394 ppm2 6.315 CV 1 ASSI { 420} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1241 and name HD3 )) 4.200 2.200 1.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.41049E-03 ppm1 1.392 ppm2 3.214 CV 1 OR { 420} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1241 and name HD2 )) ASSI { 421} ( segid " " and resid 1339 and name HB% ) (( segid " " and resid 1257 and name HA )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 1.383 ppm2 3.410 CV 1 ASSI { 422} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1235 and name HB3 )) 3.200 3.200 2.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.56790E-03 ppm1 1.394 ppm2 3.022 CV 1 ASSI { 423} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1291 and name HG3 )) 2.800 2.800 3.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 1.393 ppm2 2.617 CV 1 ASSI { 424} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1288 and name HG2 )) 3.100 3.100 2.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.29846E-02 ppm1 1.392 ppm2 2.338 CV 1 ASSI { 426} (( segid " " and resid 1284 and name HA )) (( segid " " and resid 1287 and name HB2 )) 2.900 1.100 1.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 4.030 ppm2 2.131 CV 1 ASSI { 427} (( segid " " and resid 1284 and name HA )) (( segid " " and resid 1287 and name HB3 )) 2.700 0.900 0.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.23950E-02 ppm1 4.029 ppm2 2.031 CV 1 ASSI { 428} (( segid " " and resid 1238 and name HA )) (( segid " " and resid 1241 and name HB3 )) 2.700 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.21450E-02 ppm1 4.031 ppm2 1.937 CV 1 ASSI { 429} (( segid " " and resid 1238 and name HA )) (( segid " " and resid 1241 and name HB2 )) 3.400 1.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.20401E-02 ppm1 4.031 ppm2 1.830 CV 1 ASSI { 430} ( segid " " and resid 1238 and name HB% ) ( segid " " and resid 1288 and name HE% ) 3.200 1.300 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 1.392 ppm2 1.820 CV 1 ASSI { 432} (( segid " " and resid 1238 and name HA )) ( segid " " and resid 1238 and name HB% ) 2.600 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.39660E-02 ppm1 4.031 ppm2 1.392 CV 1 ASSI { 433} ( segid " " and resid 1339 and name HB% ) ( segid " " and resid 1257 and name HG1%) 2.000 0.500 0.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.96514E-02 ppm1 1.381 ppm2 0.975 CV 1 ASSI { 434} ( segid " " and resid 1339 and name HB% ) ( segid " " and resid 1335 and name HD2%) 2.400 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.59907E-02 ppm1 1.381 ppm2 0.890 CV 1 ASSI { 435} ( segid " " and resid 1339 and name HB% ) ( segid " " and resid 1315 and name HD2%) 2.600 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.64507E-02 ppm1 1.382 ppm2 0.815 CV 1 ASSI { 437} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1246 and name H )) 2.100 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.98392E-02 ppm1 1.643 ppm2 9.451 CV 1 ASSI { 438} (( segid " " and resid 1246 and name HA )) (( segid " " and resid 1246 and name H )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.26605E-02 ppm1 4.024 ppm2 9.451 CV 1 ASSI { 439} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1245 and name H )) 4.000 2.000 2.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.13179E-02 ppm1 1.643 ppm2 8.484 CV 1 ASSI { 441} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1247 and name H )) 2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.51666E-02 ppm1 1.643 ppm2 7.752 CV 1 ASSI { 443} ( segid " " and resid 1246 and name HB% ) ( segid " " and resid 1281 and name HE% ) 2.400 0.700 0.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.49475E-02 ppm1 1.643 ppm2 6.985 CV 1 ASSI { 444} ( segid " " and resid 1246 and name HB% ) ( segid " " and resid 1281 and name HD% ) 3.200 1.300 1.300 peak 444 spectrum 1 weight 0.10000E+01 volume 0.25710E-02 ppm1 1.643 ppm2 6.656 CV 1 ASSI { 445} (( segid " " and resid 1246 and name HA )) ( segid " " and resid 1281 and name HE% ) 2.900 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.18303E-02 ppm1 4.023 ppm2 6.985 CV 1 ASSI { 446} (( segid " " and resid 1246 and name HA )) ( segid " " and resid 1281 and name HD% ) 2.500 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.33025E-02 ppm1 4.023 ppm2 6.657 CV 1 ASSI { 447} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1250 and name HD21)) 4.200 2.200 1.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.36728E-03 ppm1 1.644 ppm2 6.370 CV 1 ASSI { 448} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1246 and name HA )) 2.100 0.500 0.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.10747E-01 ppm1 1.643 ppm2 4.023 CV 1 ASSI { 449} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1243 and name HA )) 2.400 0.700 0.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.52129E-02 ppm1 1.643 ppm2 4.362 CV 1 ASSI { 450} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1247 and name HA )) 3.500 1.500 1.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.86727E-03 ppm1 1.645 ppm2 4.243 CV 1 ASSI { 452} (( segid " " and resid 1246 and name HA )) (( segid " " and resid 1281 and name HB3 )) 4.700 2.800 1.300 peak 452 spectrum 1 weight 0.10000E+01 volume 0.53703E-03 ppm1 4.023 ppm2 2.838 CV 1 ASSI { 454} ( segid " " and resid 1246 and name HB% ) ( segid " " and resid 1346 and name HG2%) 2.200 0.600 0.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.78981E-02 ppm1 1.643 ppm2 0.876 CV 1 ASSI { 455} ( segid " " and resid 1246 and name HB% ) ( segid " " and resid 1242 and name HD1%) 3.200 1.300 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.15401E-02 ppm1 1.644 ppm2 0.564 CV 1 ASSI { 457} (( segid " " and resid 1336 and name HA )) ( segid " " and resid 1335 and name HD2%) 2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.32129E-02 ppm1 4.000 ppm2 0.894 CV 1 ASSI { 458} (( segid " " and resid 1246 and name HA )) ( segid " " and resid 1249 and name HD2%) 3.900 1.900 1.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 4.024 ppm2 0.199 CV 1 ASSI { 462} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1252 and name H )) 2.200 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.83918E-02 ppm1 1.858 ppm2 8.552 CV 1 ASSI { 463} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1253 and name H )) 2.500 0.800 0.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.37500E-02 ppm1 1.857 ppm2 8.821 CV 1 ASSI { 466} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1274 and name H )) 3.400 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.21265E-02 ppm1 1.857 ppm2 8.135 CV 1 ASSI { 468} ( segid " " and resid 1252 and name HB% ) ( segid " " and resid 1274 and name HD% ) 2.400 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.43271E-02 ppm1 1.857 ppm2 6.923 CV 1 ASSI { 469} ( segid " " and resid 1252 and name HB% ) ( segid " " and resid 1274 and name HE% ) 3.700 1.700 1.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.96915E-03 ppm1 1.853 ppm2 7.123 CV 1 ASSI { 470} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1274 and name HA )) 2.100 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.68334E-02 ppm1 1.857 ppm2 3.935 CV 1 ASSI { 471} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1252 and name HA )) 2.000 0.500 0.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.13176E-01 ppm1 1.857 ppm2 4.153 CV 1 ASSI { 472} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1274 and name HB2 )) 3.400 1.400 1.400 peak 472 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 1.857 ppm2 3.408 CV 1 ASSI { 473} ( segid " " and resid 1288 and name HE% ) (( segid " " and resid 1353 and name HB2 )) 2.900 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.28148E-02 ppm1 1.829 ppm2 3.053 CV 1 ASSI { 475} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1277 and name HB2 )) 2.700 0.900 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.33950E-02 ppm1 1.855 ppm2 2.369 CV 1 OR { 475} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1277 and name HB3 )) ASSI { 477} (( segid " " and resid 1252 and name HA )) (( segid " " and resid 1255 and name HB2 )) 2.600 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.32222E-02 ppm1 4.163 ppm2 2.139 CV 1 ASSI { 478} (( segid " " and resid 1252 and name HA )) (( segid " " and resid 1255 and name HG3 )) 3.500 1.500 1.500 peak 478 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 4.164 ppm2 2.325 CV 1 ASSI { 479} ( segid " " and resid 1252 and name HB% ) ( segid " " and resid 1249 and name HD1%) 2.600 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.32253E-02 ppm1 1.857 ppm2 0.383 CV 1 ASSI { 480} ( segid " " and resid 1254 and name HG2%) (( segid " " and resid 1254 and name H )) 3.200 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.36975E-02 ppm1 1.275 ppm2 8.112 CV 1 ASSI { 481} (( segid " " and resid 1254 and name HA )) (( segid " " and resid 1257 and name H )) 3.000 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.18704E-02 ppm1 3.898 ppm2 7.591 CV 1 ASSI { 482} (( segid " " and resid 1254 and name HA )) (( segid " " and resid 1255 and name H )) 3.300 1.300 1.300 peak 482 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 3.899 ppm2 8.735 CV 1 ASSI { 483} (( segid " " and resid 1254 and name HA )) (( segid " " and resid 1254 and name H )) 2.600 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.34444E-02 ppm1 3.898 ppm2 8.110 CV 1 ASSI { 484} (( segid " " and resid 1254 and name HB )) (( segid " " and resid 1255 and name H )) 2.700 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.26543E-02 ppm1 4.412 ppm2 8.731 CV 1 ASSI { 485} (( segid " " and resid 1254 and name HB )) (( segid " " and resid 1254 and name H )) 2.400 0.700 0.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.45370E-02 ppm1 4.410 ppm2 8.110 CV 1 ASSI { 486} ( segid " " and resid 1254 and name HG2%) (( segid " " and resid 1255 and name H )) 3.000 1.100 1.100 peak 486 spectrum 1 weight 0.10000E+01 volume 0.25216E-02 ppm1 1.275 ppm2 8.738 CV 1 ASSI { 487} ( segid " " and resid 1343 and name HG2%) (( segid " " and resid 1343 and name H )) 3.000 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.56450E-02 ppm1 1.270 ppm2 8.390 CV 1 ASSI { 488} ( segid " " and resid 1351 and name HG2%) (( segid " " and resid 1351 and name H )) 3.300 1.400 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.33271E-02 ppm1 1.282 ppm2 8.244 CV 1 ASSI { 489} ( segid " " and resid 1343 and name HG2%) (( segid " " and resid 1344 and name H )) 3.400 1.500 1.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16172E-02 ppm1 1.270 ppm2 8.937 CV 1 ASSI { 490} ( segid " " and resid 1324 and name HG2%) (( segid " " and resid 1324 and name H )) 2.500 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.51142E-02 ppm1 1.283 ppm2 7.315 CV 1 ASSI { 491} ( segid " " and resid 1343 and name HG2%) (( segid " " and resid 1347 and name HD22)) 2.700 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.29228E-02 ppm1 1.270 ppm2 6.786 CV 1 ASSI { 492} ( segid " " and resid 1343 and name HG2%) (( segid " " and resid 1250 and name HD21)) 3.400 1.400 1.400 peak 492 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 1.269 ppm2 6.376 CV 1 ASSI { 493} (( segid " " and resid 1254 and name HA )) (( segid " " and resid 1254 and name HB )) 2.800 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.29938E-02 ppm1 3.898 ppm2 4.410 CV 1 ASSI { 494} ( segid " " and resid 1343 and name HG2%) (( segid " " and resid 1343 and name HA )) 2.200 0.600 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.11074E-01 ppm1 1.272 ppm2 4.120 CV 1 ASSI { 495} ( segid " " and resid 1351 and name HG2%) (( segid " " and resid 1351 and name HA )) 2.300 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.93025E-02 ppm1 1.282 ppm2 4.028 CV 1 ASSI { 496} ( segid " " and resid 1254 and name HG2%) (( segid " " and resid 1254 and name HA )) 2.400 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.71264E-02 ppm1 1.275 ppm2 3.897 CV 1 ASSI { 497} (( segid " " and resid 1254 and name HA )) (( segid " " and resid 1257 and name HB )) 2.700 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.26327E-02 ppm1 3.898 ppm2 2.284 CV 1 ASSI { 498} ( segid " " and resid 1254 and name HG2%) (( segid " " and resid 1251 and name HG2 )) 2.600 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.38055E-02 ppm1 1.276 ppm2 2.451 CV 1 ASSI { 500} (( segid " " and resid 1254 and name HB )) ( segid " " and resid 1254 and name HG2%) 2.600 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.32623E-02 ppm1 4.411 ppm2 1.273 CV 1 ASSI { 504} ( segid " " and resid 1339 and name HB% ) ( segid " " and resid 1315 and name HD1%) 2.800 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 1.381 ppm2 0.399 CV 1 ASSI { 505} (( segid " " and resid 1259 and name HA )) (( segid " " and resid 1266 and name HB2 )) 3.400 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.95676E-03 ppm1 4.173 ppm2 3.317 CV 1 ASSI { 506} (( segid " " and resid 1259 and name HA )) (( segid " " and resid 1266 and name HB3 )) 3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.14568E-02 ppm1 4.173 ppm2 2.742 CV 1 ASSI { 507} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1266 and name HB3 )) 2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.30339E-02 ppm1 1.384 ppm2 2.743 CV 1 ASSI { 508} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1266 and name HB2 )) 3.300 1.300 1.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.21265E-02 ppm1 1.384 ppm2 3.314 CV 1 ASSI { 509} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1259 and name HA )) 2.100 0.500 0.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.12059E-01 ppm1 1.384 ppm2 4.171 CV 1 ASSI { 510} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1267 and name HA )) 2.300 0.600 0.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.61355E-02 ppm1 1.383 ppm2 3.841 CV 1 ASSI { 511} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1266 and name HA )) 3.700 1.700 1.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 1.385 ppm2 4.440 CV 1 ASSI { 512} (( segid " " and resid 1259 and name HA )) (( segid " " and resid 1261 and name H )) 3.600 1.600 1.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.79010E-03 ppm1 4.175 ppm2 7.289 CV 1 ASSI { 513} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1261 and name H )) 4.200 2.200 1.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.53086E-03 ppm1 1.386 ppm2 7.294 CV 1 ASSI { 514} (( segid " " and resid 1259 and name HA )) (( segid " " and resid 1259 and name H )) 2.600 0.800 0.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.38703E-02 ppm1 4.174 ppm2 8.425 CV 1 ASSI { 515} (( segid " " and resid 1259 and name HA )) (( segid " " and resid 1263 and name H )) 3.900 1.900 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.29629E-03 ppm1 4.174 ppm2 9.163 CV 1 ASSI { 516} (( segid " " and resid 1260 and name HA )) (( segid " " and resid 1260 and name H )) 2.600 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.33580E-02 ppm1 4.084 ppm2 7.779 CV 1 ASSI { 517} (( segid " " and resid 1260 and name HA )) (( segid " " and resid 1261 and name H )) 3.300 1.300 1.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 4.083 ppm2 7.287 CV 1 ASSI { 518} (( segid " " and resid 1260 and name HB2 )) (( segid " " and resid 1261 and name H )) 4.000 2.000 2.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.37654E-03 ppm1 3.888 ppm2 7.294 CV 1 ASSI { 520} (( segid " " and resid 1323 and name HB2 )) (( segid " " and resid 1324 and name H )) 3.400 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.91972E-03 ppm1 3.963 ppm2 7.311 CV 1 OR { 520} (( segid " " and resid 1323 and name HB3 )) (( segid " " and resid 1324 and name H )) ASSI { 522} (( segid " " and resid 1323 and name HB3 )) (( segid " " and resid 1323 and name HA )) 2.300 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.83703E-02 ppm1 3.965 ppm2 4.077 CV 1 OR { 522} (( segid " " and resid 1323 and name HB2 )) (( segid " " and resid 1323 and name HA )) ASSI { 523} (( segid " " and resid 1260 and name HA )) (( segid " " and resid 1260 and name HB2 )) 2.400 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.50247E-02 ppm1 4.083 ppm2 3.893 CV 1 ASSI { 527} (( segid " " and resid 1260 and name HB3 )) ( segid " " and resid 1322 and name HD2%) 3.100 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.21512E-02 ppm1 3.971 ppm2 0.970 CV 1 ASSI { 528} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1263 and name HA )) 2.500 0.800 0.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.70340E-02 ppm1 1.387 ppm2 4.863 CV 1 ASSI { 529} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1263 and name HB )) 2.300 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.76201E-02 ppm1 1.387 ppm2 4.783 CV 1 ASSI { 530} (( segid " " and resid 1263 and name HA )) (( segid " " and resid 1263 and name HB )) 2.500 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.34290E-02 ppm1 4.866 ppm2 4.789 CV 1 ASSI { 531} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1262 and name HA2 )) 3.700 1.700 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11389E-02 ppm1 1.387 ppm2 4.575 CV 1 ASSI { 532} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1266 and name H )) 3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.77469E-03 ppm1 1.386 ppm2 7.993 CV 1 ASSI { 533} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1262 and name H )) 3.200 1.300 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.54321E-03 ppm1 1.389 ppm2 7.829 CV 1 ASSI { 534} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1263 and name H )) 2.400 0.700 0.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.63426E-02 ppm1 1.387 ppm2 9.154 CV 1 ASSI { 535} (( segid " " and resid 1263 and name HA )) (( segid " " and resid 1263 and name H )) 2.900 1.000 1.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 4.867 ppm2 9.154 CV 1 ASSI { 536} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1262 and name HA3 )) 2.600 0.900 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.40401E-02 ppm1 1.386 ppm2 3.977 CV 1 ASSI { 537} (( segid " " and resid 1263 and name HA )) (( segid " " and resid 1264 and name HD2 )) 2.600 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.76853E-02 ppm1 4.867 ppm2 3.993 CV 1 ASSI { 538} ( segid " " and resid 1263 and name HG2%) (( segid " " and resid 1266 and name HB2 )) 3.500 3.500 2.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.66973E-03 ppm1 1.387 ppm2 3.316 CV 1 ASSI { 540} (( segid " " and resid 1265 and name HB2 )) (( segid " " and resid 1265 and name H )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 2.022 ppm2 8.115 CV 1 ASSI { 541} (( segid " " and resid 1265 and name HB2 )) (( segid " " and resid 1266 and name H )) 3.000 1.100 1.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.99072E-03 ppm1 2.024 ppm2 7.994 CV 1 ASSI { 543} (( segid " " and resid 1265 and name HA )) (( segid " " and resid 1266 and name H )) 3.500 1.500 1.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.81173E-03 ppm1 4.124 ppm2 7.996 CV 1 ASSI { 544} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1269 and name H )) 2.400 0.700 0.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.68979E-02 ppm1 4.063 ppm2 8.174 CV 1 ASSI { 545} (( segid " " and resid 1255 and name HA )) (( segid " " and resid 1255 and name H )) 2.700 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.29629E-02 ppm1 4.064 ppm2 8.736 CV 1 ASSI { 546} (( segid " " and resid 1236 and name HA )) (( segid " " and resid 1236 and name H )) 2.700 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.29660E-02 ppm1 3.986 ppm2 8.706 CV 1 ASSI { 547} (( segid " " and resid 1236 and name HA )) (( segid " " and resid 1239 and name H )) 3.100 1.200 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.15154E-02 ppm1 3.986 ppm2 8.564 CV 1 ASSI { 548} (( segid " " and resid 1244 and name HA )) (( segid " " and resid 1245 and name H )) 3.300 1.300 1.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 4.167 ppm2 8.480 CV 1 ASSI { 549} (( segid " " and resid 1265 and name HA )) (( segid " " and resid 1268 and name H )) 2.900 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.17716E-02 ppm1 4.124 ppm2 8.439 CV 1 ASSI { 551} (( segid " " and resid 1236 and name HB2 )) (( segid " " and resid 1236 and name H )) 2.600 0.800 0.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.31697E-02 ppm1 2.187 ppm2 8.707 CV 1 ASSI { 552} (( segid " " and resid 1236 and name HB3 )) (( segid " " and resid 1236 and name H )) 3.000 1.100 1.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.25092E-02 ppm1 2.068 ppm2 8.706 CV 1 ASSI { 554} (( segid " " and resid 1258 and name HB2 )) (( segid " " and resid 1259 and name H )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 2.115 ppm2 8.424 CV 1 ASSI { 555} (( segid " " and resid 1265 and name HB2 )) (( segid " " and resid 1265 and name HA )) 2.900 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.35987E-02 ppm1 2.022 ppm2 4.125 CV 1 ASSI { 556} (( segid " " and resid 1265 and name HA )) (( segid " " and resid 1265 and name HB3 )) 2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.18549E-02 ppm1 4.123 ppm2 2.163 CV 1 ASSI { 557} (( segid " " and resid 1265 and name HA )) (( segid " " and resid 1265 and name HG3 )) 3.500 1.500 1.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 4.124 ppm2 2.563 CV 1 ASSI { 562} (( segid " " and resid 1236 and name HB3 )) (( segid " " and resid 1236 and name HG3 )) 2.800 1.000 1.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.33148E-02 ppm1 2.066 ppm2 2.555 CV 1 ASSI { 563} (( segid " " and resid 1258 and name HB2 )) (( segid " " and resid 1258 and name HG3 )) 2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.51883E-02 ppm1 2.118 ppm2 2.477 CV 1 ASSI { 564} (( segid " " and resid 1329 and name HG3 )) (( segid " " and resid 1329 and name HB2 )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.40679E-02 ppm1 2.099 ppm2 2.449 CV 1 ASSI { 565} (( segid " " and resid 1265 and name HB2 )) (( segid " " and resid 1265 and name HG2 )) 3.300 1.300 1.300 peak 565 spectrum 1 weight 0.10000E+01 volume 0.21204E-02 ppm1 2.023 ppm2 2.428 CV 1 ASSI { 566} (( segid " " and resid 1258 and name HB3 )) (( segid " " and resid 1258 and name HG3 )) 2.600 0.900 0.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.56543E-02 ppm1 2.178 ppm2 2.476 CV 1 ASSI { 567} (( segid " " and resid 1255 and name HA )) (( segid " " and resid 1255 and name HB3 )) 2.300 0.700 0.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.80371E-02 ppm1 4.064 ppm2 2.144 CV 1 OR { 567} (( segid " " and resid 1255 and name HA )) (( segid " " and resid 1255 and name HB2 )) ASSI { 569} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1269 and name HG2 )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.27191E-02 ppm1 4.064 ppm2 1.788 CV 1 ASSI { 570} (( segid " " and resid 1265 and name HA )) ( segid " " and resid 1268 and name HB% ) 2.800 1.000 1.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.23734E-02 ppm1 4.124 ppm2 1.725 CV 1 ASSI { 571} (( segid " " and resid 1244 and name HA )) ( segid " " and resid 1247 and name HB% ) 2.900 1.100 1.100 peak 571 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 4.166 ppm2 1.582 CV 1 ASSI { 577} (( segid " " and resid 1266 and name HB3 )) (( segid " " and resid 1263 and name H )) 3.500 3.500 2.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.11018E-02 ppm1 2.742 ppm2 9.157 CV 1 ASSI { 578} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1277 and name H )) 2.700 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.34567E-02 ppm1 4.478 ppm2 8.717 CV 1 ASSI { 580} (( segid " " and resid 1266 and name HA )) (( segid " " and resid 1266 and name H )) 2.700 0.900 0.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.28425E-02 ppm1 4.446 ppm2 7.995 CV 1 ASSI { 586} (( segid " " and resid 1266 and name HB3 )) (( segid " " and resid 1266 and name HA )) 2.900 1.000 1.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 2.748 ppm2 4.445 CV 1 ASSI { 587} (( segid " " and resid 1266 and name HA )) (( segid " " and resid 1266 and name HB2 )) 2.800 1.000 1.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.32191E-02 ppm1 4.445 ppm2 3.308 CV 1 ASSI { 588} (( segid " " and resid 1266 and name HB3 )) (( segid " " and resid 1266 and name HB2 )) 2.100 0.500 0.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.61082E-02 ppm1 2.744 ppm2 3.315 CV 1 ASSI { 594} ( segid " " and resid 1268 and name HB% ) (( segid " " and resid 1268 and name H )) 2.100 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.11472E-01 ppm1 1.723 ppm2 8.438 CV 1 ASSI { 595} ( segid " " and resid 1268 and name HB% ) (( segid " " and resid 1269 and name H )) 2.400 0.700 0.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.59721E-02 ppm1 1.723 ppm2 8.171 CV 1 ASSI { 596} ( segid " " and resid 1268 and name HB% ) (( segid " " and resid 1267 and name H )) 4.000 2.000 2.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.82406E-03 ppm1 1.722 ppm2 7.797 CV 1 ASSI { 597} (( segid " " and resid 1289 and name HA )) (( segid " " and resid 1289 and name H )) 2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.32160E-02 ppm1 3.922 ppm2 8.554 CV 1 ASSI { 598} (( segid " " and resid 1339 and name HA )) (( segid " " and resid 1339 and name H )) 2.600 0.900 0.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.31666E-02 ppm1 3.951 ppm2 8.459 CV 1 ASSI { 599} (( segid " " and resid 1268 and name HA )) (( segid " " and resid 1268 and name H )) 2.600 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.35617E-02 ppm1 3.926 ppm2 8.442 CV 1 ASSI { 600} (( segid " " and resid 1268 and name HA )) (( segid " " and resid 1209 and name H )) 3.800 1.800 1.800 peak 600 spectrum 1 weight 0.10000E+01 volume 0.52777E-03 ppm1 3.923 ppm2 8.246 CV 1 ASSI { 601} (( segid " " and resid 1268 and name HA )) (( segid " " and resid 1269 and name H )) 3.500 1.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.95060E-03 ppm1 3.923 ppm2 8.164 CV 1 ASSI { 602} (( segid " " and resid 1289 and name HA )) (( segid " " and resid 1290 and name H )) 3.200 1.300 1.300 peak 602 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 3.922 ppm2 7.951 CV 1 ASSI { 603} (( segid " " and resid 1289 and name HA )) (( segid " " and resid 1291 and name H )) 3.700 1.700 1.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.56481E-03 ppm1 3.930 ppm2 7.589 CV 1 ASSI { 604} (( segid " " and resid 1289 and name HA )) (( segid " " and resid 1292 and name H )) 3.300 1.300 1.300 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 3.921 ppm2 7.393 CV 1 ASSI { 605} (( segid " " and resid 1268 and name HA )) (( segid " " and resid 1271 and name HB2 )) 3.000 1.200 1.200 peak 605 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 3.924 ppm2 3.604 CV 1 ASSI { 607} ( segid " " and resid 1268 and name HB% ) (( segid " " and resid 1268 and name HA )) 2.100 0.600 0.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.12046E-01 ppm1 1.723 ppm2 3.926 CV 1 ASSI { 608} ( segid " " and resid 1268 and name HB% ) (( segid " " and resid 1208 and name HB3 )) 3.300 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.33055E-02 ppm1 1.723 ppm2 2.810 CV 1 ASSI { 609} ( segid " " and resid 1268 and name HB% ) (( segid " " and resid 1208 and name HB2 )) 2.600 0.900 0.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.26944E-02 ppm1 1.723 ppm2 2.645 CV 1 ASSI { 610} (( segid " " and resid 1289 and name HA )) (( segid " " and resid 1301 and name HB )) 3.500 1.600 1.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.18457E-02 ppm1 3.922 ppm2 2.281 CV 1 ASSI { 611} (( segid " " and resid 1268 and name HA )) (( segid " " and resid 1208 and name HB3 )) 4.000 2.000 2.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.59256E-03 ppm1 3.925 ppm2 2.804 CV 1 ASSI { 612} (( segid " " and resid 1268 and name HA )) (( segid " " and resid 1208 and name HB2 )) 3.200 1.300 1.300 peak 612 spectrum 1 weight 0.10000E+01 volume 0.74073E-03 ppm1 3.923 ppm2 2.649 CV 1 ASSI { 613} (( segid " " and resid 1268 and name HA )) (( segid " " and resid 1267 and name HB3 )) 2.800 2.800 3.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.27561E-02 ppm1 3.925 ppm2 1.800 CV 1 ASSI { 617} ( segid " " and resid 1268 and name HB% ) ( segid " " and resid 1209 and name HG1%) 3.400 1.400 1.400 peak 617 spectrum 1 weight 0.10000E+01 volume 0.15771E-02 ppm1 1.724 ppm2 0.998 CV 1 ASSI { 621} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1269 and name H )) 2.200 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.87686E-02 ppm1 1.970 ppm2 8.172 CV 1 OR { 621} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1269 and name H )) ASSI { 622} (( segid " " and resid 1221 and name HA )) (( segid " " and resid 1221 and name H )) 2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.53394E-02 ppm1 4.059 ppm2 7.901 CV 1 ASSI { 623} (( segid " " and resid 1237 and name HB3 )) (( segid " " and resid 1238 and name H )) 3.000 1.100 1.100 peak 623 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 1.985 ppm2 7.989 CV 1 ASSI { 624} (( segid " " and resid 1221 and name HA )) (( segid " " and resid 1224 and name H )) 3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.11018E-02 ppm1 4.061 ppm2 7.580 CV 1 ASSI { 627} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1269 and name HA )) 2.300 0.700 0.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.80830E-02 ppm1 1.972 ppm2 4.058 CV 1 OR { 627} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1269 and name HA )) ASSI { 628} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1266 and name HA )) 2.900 1.100 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.20062E-02 ppm1 1.977 ppm2 4.448 CV 1 OR { 628} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1266 and name HA )) ASSI { 633} (( segid " " and resid 1237 and name HB3 )) (( segid " " and resid 1237 and name HG3 )) 2.600 0.900 0.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.38240E-02 ppm1 1.980 ppm2 2.282 CV 1 OR { 633} (( segid " " and resid 1237 and name HB3 )) (( segid " " and resid 1237 and name HG2 )) ASSI { 635} (( segid " " and resid 1221 and name HA )) (( segid " " and resid 1221 and name HG3 )) 2.900 1.100 1.100 peak 635 spectrum 1 weight 0.10000E+01 volume 0.19444E-02 ppm1 4.058 ppm2 1.502 CV 1 ASSI { 636} (( segid " " and resid 1241 and name HB3 )) (( segid " " and resid 1241 and name HB2 )) 1.700 0.400 0.500 peak 636 spectrum 1 weight 0.10000E+01 volume 0.13997E-01 ppm1 1.936 ppm2 1.832 CV 1 OR { 636} (( segid " " and resid 1241 and name HB3 )) (( segid " " and resid 1241 and name HG2 )) ASSI { 639} (( segid " " and resid 1270 and name HA )) (( segid " " and resid 1270 and name H )) 2.700 0.900 0.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.34197E-02 ppm1 4.254 ppm2 8.431 CV 1 ASSI { 640} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1270 and name H )) 2.200 0.600 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.10015E-01 ppm1 1.488 ppm2 8.432 CV 1 ASSI { 641} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1256 and name H )) 3.300 1.400 1.400 peak 641 spectrum 1 weight 0.10000E+01 volume 0.11296E-02 ppm1 1.488 ppm2 7.897 CV 1 ASSI { 642} (( segid " " and resid 1270 and name HA )) (( segid " " and resid 1273 and name H )) 3.100 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 4.254 ppm2 7.829 CV 1 ASSI { 643} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1267 and name H )) 3.100 1.200 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 1.488 ppm2 7.806 CV 1 ASSI { 644} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1256 and name HA )) 2.300 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.79970E-02 ppm1 1.488 ppm2 4.005 CV 1 ASSI { 645} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1270 and name HA )) 2.200 0.600 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.95984E-02 ppm1 1.488 ppm2 4.255 CV 1 ASSI { 646} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1267 and name HA )) 2.500 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.34444E-02 ppm1 1.488 ppm2 3.839 CV 1 ASSI { 647} (( segid " " and resid 1270 and name HA )) (( segid " " and resid 1273 and name HB2 )) 2.600 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.36358E-02 ppm1 4.255 ppm2 1.993 CV 1 OR { 647} (( segid " " and resid 1270 and name HA )) (( segid " " and resid 1273 and name HB3 )) ASSI { 649} (( segid " " and resid 1318 and name HA )) ( segid " " and resid 1318 and name HB% ) 2.100 0.500 0.500 peak 649 spectrum 1 weight 0.10000E+01 volume 0.11413E-01 ppm1 4.215 ppm2 1.505 CV 1 ASSI { 650} ( segid " " and resid 1270 and name HB% ) ( segid " " and resid 1256 and name HD2%) 2.700 0.900 0.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.30617E-02 ppm1 1.489 ppm2 0.700 CV 1 ASSI { 651} ( segid " " and resid 1270 and name HB% ) ( segid " " and resid 1267 and name HD1%) 2.800 2.800 3.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.11605E-02 ppm1 1.489 ppm2 0.786 CV 1 ASSI { 652} ( segid " " and resid 1270 and name HB% ) ( segid " " and resid 1256 and name HD1%) 3.900 1.900 1.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.12747E-02 ppm1 1.488 ppm2 0.602 CV 1 ASSI { 653} (( segid " " and resid 1274 and name HA )) (( segid " " and resid 1274 and name HB2 )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 3.935 ppm2 3.404 CV 1 ASSI { 654} (( segid " " and resid 1274 and name HA )) ( segid " " and resid 1274 and name HD% ) 3.000 1.100 1.100 peak 654 spectrum 1 weight 0.10000E+01 volume 0.16882E-02 ppm1 3.936 ppm2 6.924 CV 1 ASSI { 655} (( segid " " and resid 1274 and name HA )) (( segid " " and resid 1274 and name H )) 2.700 0.900 0.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 3.936 ppm2 8.153 CV 1 ASSI { 658} (( segid " " and resid 1274 and name HA )) (( segid " " and resid 1274 and name HB3 )) 2.900 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.27222E-02 ppm1 3.936 ppm2 3.017 CV 1 ASSI { 659} (( segid " " and resid 1278 and name HB3 )) (( segid " " and resid 1278 and name HB2 )) 2.100 0.500 0.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.46203E-02 ppm1 3.129 ppm2 2.629 CV 1 ASSI { 661} (( segid " " and resid 1278 and name HB2 )) (( segid " " and resid 1278 and name HA )) 2.600 0.800 0.800 peak 661 spectrum 1 weight 0.10000E+01 volume 0.22531E-02 ppm1 2.630 ppm2 3.882 CV 1 ASSI { 662} (( segid " " and resid 1278 and name HB2 )) (( segid " " and resid 1275 and name HA2 )) 3.400 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.72840E-03 ppm1 2.630 ppm2 3.665 CV 1 ASSI { 663} (( segid " " and resid 1278 and name HB3 )) (( segid " " and resid 1275 and name HA2 )) 3.000 1.100 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.87035E-03 ppm1 3.129 ppm2 3.668 CV 1 ASSI { 666} (( segid " " and resid 1278 and name HA )) (( segid " " and resid 1278 and name HB3 )) 2.800 1.000 1.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.37006E-02 ppm1 3.881 ppm2 3.128 CV 1 ASSI { 667} (( segid " " and resid 1278 and name HA )) (( segid " " and resid 1281 and name HB3 )) 2.900 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.11759E-02 ppm1 3.881 ppm2 2.838 CV 1 ASSI { 674} (( segid " " and resid 1278 and name HB2 )) ( segid " " and resid 1249 and name HD2%) 4.200 2.200 1.800 peak 674 spectrum 1 weight 0.10000E+01 volume 0.40123E-03 ppm1 2.633 ppm2 0.196 CV 1 ASSI { 676} (( segid " " and resid 1280 and name HA )) (( segid " " and resid 1281 and name H )) 3.400 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 3.909 ppm2 8.002 CV 1 ASSI { 677} (( segid " " and resid 1280 and name HA )) (( segid " " and resid 1280 and name H )) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.45277E-02 ppm1 3.909 ppm2 7.836 CV 1 ASSI { 678} (( segid " " and resid 1205 and name HB )) (( segid " " and resid 1205 and name H )) 2.800 1.000 1.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.29290E-02 ppm1 4.202 ppm2 8.008 CV 1 ASSI { 680} ( segid " " and resid 1280 and name HG2%) (( segid " " and resid 1280 and name H )) 3.500 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.24629E-02 ppm1 1.273 ppm2 7.835 CV 1 ASSI { 681} ( segid " " and resid 1280 and name HG2%) (( segid " " and resid 1281 and name H )) 3.300 1.400 1.400 peak 681 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 1.274 ppm2 7.998 CV 1 ASSI { 682} (( segid " " and resid 1343 and name HB )) (( segid " " and resid 1343 and name H )) 2.600 0.800 0.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.34815E-02 ppm1 4.203 ppm2 8.390 CV 1 ASSI { 684} (( segid " " and resid 1280 and name HA )) (( segid " " and resid 1282 and name H )) 4.100 2.100 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.41049E-03 ppm1 3.907 ppm2 8.649 CV 1 ASSI { 685} (( segid " " and resid 1280 and name HA )) (( segid " " and resid 1284 and name H )) 3.900 1.900 1.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.47222E-03 ppm1 3.911 ppm2 7.426 CV 1 ASSI { 686} ( segid " " and resid 1280 and name HG2%) (( segid " " and resid 1280 and name HA )) 2.300 0.700 0.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.87099E-02 ppm1 1.273 ppm2 3.912 CV 1 ASSI { 690} (( segid " " and resid 1280 and name HA )) (( segid " " and resid 1280 and name HB )) 2.800 1.000 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.27993E-02 ppm1 3.908 ppm2 4.189 CV 1 ASSI { 691} (( segid " " and resid 1280 and name HA )) (( segid " " and resid 1283 and name HB2 )) 2.800 1.000 1.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 3.908 ppm2 2.103 CV 1 ASSI { 696} (( segid " " and resid 1281 and name HB3 )) (( segid " " and resid 1281 and name H )) 2.600 0.800 0.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.24228E-02 ppm1 2.839 ppm2 7.999 CV 1 ASSI { 697} (( segid " " and resid 1281 and name HB3 )) (( segid " " and resid 1282 and name H )) 2.900 1.000 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.10124E-02 ppm1 2.838 ppm2 8.649 CV 1 ASSI { 698} (( segid " " and resid 1281 and name HA )) (( segid " " and resid 1282 and name H )) 3.600 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.63269E-03 ppm1 3.948 ppm2 8.649 CV 1 ASSI { 701} (( segid " " and resid 1281 and name HA )) ( segid " " and resid 1281 and name HE% ) 4.400 2.400 1.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.41358E-03 ppm1 3.951 ppm2 6.980 CV 1 ASSI { 702} (( segid " " and resid 1281 and name HB3 )) ( segid " " and resid 1281 and name HE% ) 4.500 2.500 1.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.46605E-03 ppm1 2.833 ppm2 6.980 CV 1 ASSI { 703} (( segid " " and resid 1281 and name HB2 )) ( segid " " and resid 1281 and name HD% ) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.22129E-02 ppm1 3.125 ppm2 6.657 CV 1 ASSI { 704} (( segid " " and resid 1281 and name HB3 )) ( segid " " and resid 1281 and name HD% ) 2.600 0.900 0.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.24166E-02 ppm1 2.837 ppm2 6.656 CV 1 ASSI { 705} (( segid " " and resid 1281 and name HA )) ( segid " " and resid 1281 and name HD% ) 2.800 1.000 1.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 3.947 ppm2 6.657 CV 1 ASSI { 706} (( segid " " and resid 1281 and name HB3 )) (( segid " " and resid 1281 and name HA )) 2.900 1.000 1.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.29876E-02 ppm1 2.838 ppm2 3.940 CV 1 ASSI { 708} (( segid " " and resid 1281 and name HA )) (( segid " " and resid 1281 and name HB2 )) 2.700 0.900 0.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.18704E-02 ppm1 3.948 ppm2 3.130 CV 1 ASSI { 709} (( segid " " and resid 1281 and name HB3 )) (( segid " " and resid 1281 and name HB2 )) 2.000 0.500 0.500 peak 709 spectrum 1 weight 0.10000E+01 volume 0.48302E-02 ppm1 2.837 ppm2 3.126 CV 1 ASSI { 711} (( segid " " and resid 1281 and name HB2 )) ( segid " " and resid 1246 and name HB% ) 4.500 2.500 1.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.46605E-03 ppm1 3.132 ppm2 1.638 CV 1 ASSI { 714} (( segid " " and resid 1281 and name HB3 )) (( segid " " and resid 1282 and name HB3 )) 4.700 2.700 1.300 peak 714 spectrum 1 weight 0.10000E+01 volume 0.46296E-03 ppm1 2.837 ppm2 1.456 CV 1 ASSI { 715} (( segid " " and resid 1281 and name HB3 )) (( segid " " and resid 1249 and name HB2 )) 3.800 1.800 1.800 peak 715 spectrum 1 weight 0.10000E+01 volume 0.62652E-03 ppm1 2.836 ppm2 0.995 CV 1 ASSI { 716} (( segid " " and resid 1281 and name HB2 )) (( segid " " and resid 1249 and name HB2 )) 3.100 1.200 1.200 peak 716 spectrum 1 weight 0.10000E+01 volume 0.55555E-03 ppm1 3.119 ppm2 0.992 CV 1 ASSI { 720} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1284 and name H )) 2.200 0.600 0.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.91140E-02 ppm1 1.245 ppm2 7.426 CV 1 ASSI { 721} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1283 and name H )) 4.100 2.100 1.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.83331E-03 ppm1 1.245 ppm2 7.852 CV 1 ASSI { 722} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1242 and name H )) 3.400 1.400 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 1.245 ppm2 8.242 CV 1 ASSI { 723} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1286 and name H )) 4.200 2.200 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.56790E-03 ppm1 1.247 ppm2 8.581 CV 1 ASSI { 724} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1245 and name H )) 3.600 1.600 1.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.79626E-03 ppm1 1.246 ppm2 8.473 CV 1 ASSI { 725} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1285 and name H )) 2.600 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.36327E-02 ppm1 1.245 ppm2 8.884 CV 1 ASSI { 726} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1246 and name H )) 3.400 3.400 2.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.37963E-03 ppm1 1.245 ppm2 9.456 CV 1 ASSI { 727} ( segid " " and resid 1284 and name HB% ) ( segid " " and resid 1281 and name HD% ) 3.700 1.700 1.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.71916E-03 ppm1 1.245 ppm2 6.656 CV 1 ASSI { 728} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1284 and name HA )) 2.200 0.600 0.600 peak 728 spectrum 1 weight 0.10000E+01 volume 0.10731E-01 ppm1 1.245 ppm2 4.029 CV 1 ASSI { 730} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1285 and name HA2 )) 3.600 1.700 1.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.78394E-03 ppm1 1.248 ppm2 3.384 CV 1 ASSI { 731} ( segid " " and resid 1284 and name HB% ) ( segid " " and resid 1245 and name HB% ) 2.600 0.800 0.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.42746E-02 ppm1 1.245 ppm2 1.546 CV 1 ASSI { 733} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1241 and name HB3 )) 3.600 1.600 1.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 1.246 ppm2 1.936 CV 1 ASSI { 734} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1241 and name HG2 )) 2.700 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 1.246 ppm2 1.825 CV 1 ASSI { 735} ( segid " " and resid 1284 and name HB% ) ( segid " " and resid 1242 and name HD1%) 2.800 1.000 1.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.29383E-02 ppm1 1.246 ppm2 0.572 CV 1 ASSI { 736} ( segid " " and resid 1286 and name HG1%) (( segid " " and resid 1286 and name H )) 3.300 1.400 1.400 peak 736 spectrum 1 weight 0.10000E+01 volume 0.37067E-02 ppm1 0.980 ppm2 8.578 CV 1 ASSI { 737} (( segid " " and resid 1286 and name HB )) (( segid " " and resid 1286 and name H )) 2.600 2.600 3.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.36604E-02 ppm1 2.174 ppm2 8.579 CV 1 ASSI { 738} (( segid " " and resid 1286 and name HA )) (( segid " " and resid 1286 and name H )) 2.500 0.800 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.42592E-02 ppm1 3.589 ppm2 8.572 CV 1 ASSI { 739} (( segid " " and resid 1286 and name HA )) (( segid " " and resid 1288 and name H )) 4.200 2.200 1.800 peak 739 spectrum 1 weight 0.10000E+01 volume 0.34876E-03 ppm1 3.590 ppm2 7.749 CV 1 ASSI { 740} (( segid " " and resid 1286 and name HA )) (( segid " " and resid 1287 and name H )) 3.400 1.400 1.400 peak 740 spectrum 1 weight 0.10000E+01 volume 0.90123E-03 ppm1 3.587 ppm2 7.489 CV 1 ASSI { 741} (( segid " " and resid 1286 and name HB )) (( segid " " and resid 1287 and name H )) 3.000 1.100 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 2.174 ppm2 7.490 CV 1 ASSI { 742} ( segid " " and resid 1286 and name HG1%) (( segid " " and resid 1287 and name H )) 3.500 1.500 1.500 peak 742 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 0.980 ppm2 7.489 CV 1 ASSI { 743} ( segid " " and resid 1286 and name HG1%) (( segid " " and resid 1286 and name HA )) 2.400 0.700 0.700 peak 743 spectrum 1 weight 0.10000E+01 volume 0.71113E-02 ppm1 0.980 ppm2 3.585 CV 1 ASSI { 744} (( segid " " and resid 1286 and name HB )) (( segid " " and resid 1286 and name HA )) 2.900 1.000 1.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.23179E-02 ppm1 2.176 ppm2 3.587 CV 1 ASSI { 745} (( segid " " and resid 1286 and name HB )) (( segid " " and resid 1283 and name HA )) 2.900 2.900 3.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.16636E-02 ppm1 2.176 ppm2 3.812 CV 1 ASSI { 749} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1209 and name HB )) 2.200 0.600 0.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.92007E-02 ppm1 0.938 ppm2 2.102 CV 1 ASSI { 754} (( segid " " and resid 1201 and name HG12)) (( segid " " and resid 1201 and name HA )) 3.400 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.96607E-03 ppm1 1.482 ppm2 4.243 CV 1 ASSI { 757} (( segid " " and resid 1201 and name HA )) (( segid " " and resid 1201 and name HG13)) 3.400 1.500 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 4.251 ppm2 1.213 CV 1 ASSI { 759} (( segid " " and resid 1201 and name HA )) (( segid " " and resid 1201 and name HB )) 2.700 0.900 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.30185E-02 ppm1 4.253 ppm2 1.829 CV 1 ASSI { 760} (( segid " " and resid 1201 and name HB )) (( segid " " and resid 1201 and name HG12)) 3.500 1.500 1.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.80557E-03 ppm1 1.829 ppm2 1.478 CV 1 ASSI { 761} ( segid " " and resid 1201 and name HD1%) (( segid " " and resid 1201 and name HG12)) 2.800 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 0.868 ppm2 1.477 CV 1 ASSI { 762} ( segid " " and resid 1201 and name HD1%) (( segid " " and resid 1201 and name HB )) 3.200 1.300 1.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.17932E-02 ppm1 0.867 ppm2 1.829 CV 1 ASSI { 763} (( segid " " and resid 1201 and name HG13)) (( segid " " and resid 1201 and name HG12)) 2.100 0.600 0.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.45802E-02 ppm1 1.199 ppm2 1.479 CV 1 ASSI { 764} (( segid " " and resid 1201 and name HG13)) ( segid " " and resid 1201 and name HG2%) 3.700 1.700 1.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.76853E-03 ppm1 1.207 ppm2 0.885 CV 1 ASSI { 765} (( segid " " and resid 1201 and name HG12)) ( segid " " and resid 1201 and name HG2%) 3.200 1.300 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 1.486 ppm2 0.900 CV 1 ASSI { 766} (( segid " " and resid 1201 and name HB )) ( segid " " and resid 1201 and name HG2%) 2.900 1.000 1.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.21728E-02 ppm1 1.829 ppm2 0.890 CV 1 ASSI { 767} (( segid " " and resid 1201 and name HA )) ( segid " " and resid 1201 and name HG2%) 3.000 1.200 1.200 peak 767 spectrum 1 weight 0.10000E+01 volume 0.18055E-02 ppm1 4.253 ppm2 0.888 CV 1 ASSI { 768} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1211 and name HB2 )) 3.000 3.000 3.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.25092E-02 ppm1 4.546 ppm2 3.043 CV 1 ASSI { 769} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1208 and name HB3 )) 2.700 0.900 0.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 4.545 ppm2 2.809 CV 1 ASSI { 770} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1208 and name HB2 )) 2.900 1.000 1.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.32685E-02 ppm1 4.545 ppm2 2.645 CV 1 ASSI { 771} (( segid " " and resid 1208 and name HB3 )) (( segid " " and resid 1208 and name HB2 )) 2.000 0.500 0.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.62408E-02 ppm1 2.805 ppm2 2.641 CV 1 ASSI { 777} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1211 and name HD21)) 3.400 1.400 1.400 peak 777 spectrum 1 weight 0.10000E+01 volume 0.95676E-03 ppm1 4.547 ppm2 7.913 CV 1 ASSI { 778} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1209 and name H )) 3.200 1.200 1.200 peak 778 spectrum 1 weight 0.10000E+01 volume 0.13981E-02 ppm1 4.544 ppm2 8.246 CV 1 ASSI { 779} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1208 and name H )) 2.900 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 4.546 ppm2 8.110 CV 1 ASSI { 780} (( segid " " and resid 1297 and name HB3 )) (( segid " " and resid 1298 and name H )) 3.700 1.700 1.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.11049E-02 ppm1 2.787 ppm2 8.134 CV 1 ASSI { 783} (( segid " " and resid 1226 and name HB2 )) (( segid " " and resid 1226 and name H )) 3.000 1.100 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 2.603 ppm2 8.171 CV 1 ASSI { 784} (( segid " " and resid 1208 and name HB2 )) (( segid " " and resid 1208 and name H )) 3.000 1.100 1.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 2.642 ppm2 8.111 CV 1 ASSI { 785} (( segid " " and resid 1208 and name HA )) (( segid " " and resid 1211 and name H )) 3.300 1.400 1.400 peak 785 spectrum 1 weight 0.10000E+01 volume 0.97223E-03 ppm1 4.547 ppm2 8.681 CV 1 ASSI { 787} (( segid " " and resid 1261 and name HA )) (( segid " " and resid 1261 and name H )) 2.700 0.900 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.33364E-02 ppm1 4.532 ppm2 7.289 CV 1 ASSI { 788} (( segid " " and resid 1347 and name HB2 )) (( segid " " and resid 1347 and name HD22)) 3.900 1.900 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 2.990 ppm2 6.781 CV 1 ASSI { 789} (( segid " " and resid 1347 and name HB3 )) (( segid " " and resid 1347 and name HD22)) 3.900 1.900 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.12376E-02 ppm1 2.877 ppm2 6.784 CV 1 ASSI { 790} (( segid " " and resid 1211 and name HB2 )) (( segid " " and resid 1211 and name HD22)) 4.100 2.100 1.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.95984E-03 ppm1 3.046 ppm2 6.850 CV 1 ASSI { 791} (( segid " " and resid 1211 and name HB2 )) (( segid " " and resid 1211 and name HD21)) 3.200 1.300 1.300 peak 791 spectrum 1 weight 0.10000E+01 volume 0.13179E-02 ppm1 3.045 ppm2 7.914 CV 1 ASSI { 792} (( segid " " and resid 1211 and name HB3 )) (( segid " " and resid 1211 and name HD21)) 2.900 1.100 1.100 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 2.888 ppm2 7.915 CV 1 ASSI { 793} (( segid " " and resid 1211 and name HB2 )) (( segid " " and resid 1212 and name H )) 3.600 1.600 1.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 3.045 ppm2 7.826 CV 1 ASSI { 794} (( segid " " and resid 1211 and name HB3 )) (( segid " " and resid 1212 and name H )) 3.100 1.200 1.200 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 2.889 ppm2 7.826 CV 1 ASSI { 795} (( segid " " and resid 1347 and name HB2 )) (( segid " " and resid 1347 and name HD21)) 2.800 1.000 1.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.17870E-02 ppm1 2.989 ppm2 7.692 CV 1 ASSI { 796} (( segid " " and resid 1347 and name HB3 )) (( segid " " and resid 1347 and name HD21)) 3.000 1.100 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 2.878 ppm2 7.691 CV 1 ASSI { 797} (( segid " " and resid 1347 and name HB2 )) (( segid " " and resid 1348 and name H )) 2.900 1.000 1.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.16944E-02 ppm1 2.991 ppm2 8.091 CV 1 ASSI { 798} (( segid " " and resid 1347 and name HB3 )) (( segid " " and resid 1348 and name H )) 3.400 1.500 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.17562E-02 ppm1 2.879 ppm2 8.094 CV 1 ASSI { 799} (( segid " " and resid 1211 and name HB2 )) (( segid " " and resid 1210 and name H )) 4.600 2.700 1.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.46296E-03 ppm1 3.045 ppm2 8.270 CV 1 ASSI { 800} (( segid " " and resid 1211 and name HB3 )) (( segid " " and resid 1210 and name H )) 4.900 2.900 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.34259E-03 ppm1 2.890 ppm2 8.267 CV 1 ASSI { 801} (( segid " " and resid 1211 and name HA )) (( segid " " and resid 1211 and name H )) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.31975E-02 ppm1 4.524 ppm2 8.678 CV 1 ASSI { 803} (( segid " " and resid 1211 and name HB3 )) (( segid " " and resid 1211 and name H )) 3.000 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.20617E-02 ppm1 2.889 ppm2 8.679 CV 1 ASSI { 804} (( segid " " and resid 1211 and name HB2 )) (( segid " " and resid 1211 and name HA )) 2.600 0.800 0.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.38086E-02 ppm1 3.046 ppm2 4.534 CV 1 ASSI { 806} (( segid " " and resid 1347 and name HB2 )) (( segid " " and resid 1347 and name HA )) 2.600 0.900 0.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.53888E-02 ppm1 2.990 ppm2 4.499 CV 1 ASSI { 808} (( segid " " and resid 1211 and name HB2 )) (( segid " " and resid 1211 and name HB3 )) 1.900 0.500 0.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.92559E-02 ppm1 3.048 ppm2 2.889 CV 1 ASSI { 809} (( segid " " and resid 1347 and name HB2 )) (( segid " " and resid 1347 and name HB3 )) 1.800 0.400 0.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.15454E-01 ppm1 2.991 ppm2 2.879 CV 1 ASSI { 811} (( segid " " and resid 1211 and name HA )) (( segid " " and resid 1211 and name HB3 )) 2.700 0.900 0.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.43456E-02 ppm1 4.516 ppm2 2.885 CV 1 ASSI { 812} (( segid " " and resid 1261 and name HA )) (( segid " " and resid 1261 and name HB2 )) 2.700 0.900 0.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.45833E-02 ppm1 4.533 ppm2 2.125 CV 1 ASSI { 813} (( segid " " and resid 1211 and name HA )) (( segid " " and resid 1214 and name HB3 )) 2.600 0.900 0.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.34475E-02 ppm1 4.524 ppm2 2.006 CV 1 ASSI { 814} (( segid " " and resid 1261 and name HA )) (( segid " " and resid 1261 and name HB3 )) 2.600 0.800 0.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.32438E-02 ppm1 4.531 ppm2 1.832 CV 1 ASSI { 817} (( segid " " and resid 1219 and name HA )) (( segid " " and resid 1219 and name H )) 2.600 0.800 0.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.44722E-02 ppm1 4.261 ppm2 8.286 CV 1 ASSI { 818} (( segid " " and resid 1215 and name HA )) (( segid " " and resid 1215 and name H )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.63734E-02 ppm1 4.260 ppm2 8.130 CV 1 ASSI { 819} (( segid " " and resid 1215 and name HA )) (( segid " " and resid 1218 and name H )) 3.100 1.200 1.200 peak 819 spectrum 1 weight 0.10000E+01 volume 0.15617E-02 ppm1 4.261 ppm2 9.113 CV 1 ASSI { 820} (( segid " " and resid 1247 and name HA )) (( segid " " and resid 1250 and name H )) 3.100 1.200 1.200 peak 820 spectrum 1 weight 0.10000E+01 volume 0.16450E-02 ppm1 4.245 ppm2 8.514 CV 1 ASSI { 822} ( segid " " and resid 1299 and name HB% ) (( segid " " and resid 1299 and name H )) 2.100 0.600 0.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.13592E-01 ppm1 1.559 ppm2 8.197 CV 1 ASSI { 824} ( segid " " and resid 1215 and name HB% ) (( segid " " and resid 1218 and name H )) 4.200 2.200 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.58948E-03 ppm1 1.622 ppm2 9.106 CV 1 ASSI { 826} (( segid " " and resid 1247 and name HA )) (( segid " " and resid 1247 and name H )) 2.600 0.800 0.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.38086E-02 ppm1 4.245 ppm2 7.752 CV 1 ASSI { 827} ( segid " " and resid 1247 and name HB% ) (( segid " " and resid 1247 and name H )) 2.100 0.600 0.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.12938E-01 ppm1 1.583 ppm2 7.754 CV 1 ASSI { 828} ( segid " " and resid 1341 and name HB% ) (( segid " " and resid 1341 and name H )) 2.100 0.500 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.14651E-01 ppm1 1.597 ppm2 7.601 CV 1 ASSI { 829} ( segid " " and resid 1253 and name HB% ) ( segid " " and resid 1274 and name HE% ) 2.400 0.700 0.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.47901E-02 ppm1 1.593 ppm2 7.123 CV 1 ASSI { 830} ( segid " " and resid 1253 and name HB% ) ( segid " " and resid 1274 and name HD% ) 3.400 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.17994E-02 ppm1 1.595 ppm2 6.924 CV 1 ASSI { 831} (( segid " " and resid 1247 and name HA )) (( segid " " and resid 1250 and name HD21)) 3.500 1.500 1.500 peak 831 spectrum 1 weight 0.10000E+01 volume 0.53703E-03 ppm1 4.244 ppm2 6.372 CV 1 ASSI { 832} ( segid " " and resid 1247 and name HB% ) (( segid " " and resid 1250 and name HD21)) 4.400 2.400 1.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.49383E-03 ppm1 1.588 ppm2 6.369 CV 1 ASSI { 833} ( segid " " and resid 1215 and name HB% ) (( segid " " and resid 1215 and name HA )) 2.100 0.500 0.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.14956E-01 ppm1 1.622 ppm2 4.261 CV 1 ASSI { 835} (( segid " " and resid 1215 and name HA )) (( segid " " and resid 1218 and name HB3 )) 2.900 2.900 3.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 4.262 ppm2 2.685 CV 1 ASSI { 841} ( segid " " and resid 1215 and name HB% ) ( segid " " and resid 1216 and name HG2%) 3.400 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 1.621 ppm2 0.792 CV 1 ASSI { 843} (( segid " " and resid 1218 and name HA )) (( segid " " and resid 1218 and name H )) 2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.34537E-02 ppm1 4.481 ppm2 9.113 CV 1 ASSI { 844} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1278 and name H )) 3.400 1.500 1.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.89506E-03 ppm1 4.476 ppm2 9.024 CV 1 ASSI { 846} (( segid " " and resid 1218 and name HB3 )) (( segid " " and resid 1219 and name H )) 2.900 1.100 1.100 peak 846 spectrum 1 weight 0.10000E+01 volume 0.15864E-02 ppm1 2.684 ppm2 8.285 CV 1 ASSI { 847} (( segid " " and resid 1210 and name HB3 )) (( segid " " and resid 1210 and name H )) 2.600 0.800 0.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.36049E-02 ppm1 2.785 ppm2 8.265 CV 1 ASSI { 848} (( segid " " and resid 1210 and name HB2 )) (( segid " " and resid 1210 and name H )) 2.700 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.25771E-02 ppm1 2.611 ppm2 8.267 CV 1 ASSI { 849} (( segid " " and resid 1344 and name HA )) (( segid " " and resid 1347 and name H )) 3.100 1.200 1.200 peak 849 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 4.500 ppm2 8.412 CV 1 ASSI { 852} (( segid " " and resid 1210 and name HB3 )) (( segid " " and resid 1210 and name HA )) 3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.23487E-02 ppm1 2.784 ppm2 4.483 CV 1 ASSI { 853} (( segid " " and resid 1218 and name HB2 )) (( segid " " and resid 1215 and name HA )) 2.900 1.000 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.28148E-02 ppm1 2.841 ppm2 4.266 CV 1 ASSI { 855} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1280 and name HB )) 2.600 0.800 0.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.41141E-02 ppm1 4.478 ppm2 4.194 CV 1 ASSI { 856} (( segid " " and resid 1218 and name HA )) (( segid " " and resid 1218 and name HB3 )) 2.500 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.68921E-02 ppm1 4.486 ppm2 2.680 CV 1 ASSI { 861} (( segid " " and resid 1218 and name HB2 )) (( segid " " and resid 1214 and name HG2 )) 3.500 1.500 1.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.56481E-03 ppm1 2.843 ppm2 1.686 CV 1 ASSI { 862} (( segid " " and resid 1218 and name HB3 )) (( segid " " and resid 1214 and name HG2 )) 4.200 2.200 1.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.43827E-03 ppm1 2.689 ppm2 1.694 CV 1 ASSI { 863} (( segid " " and resid 1218 and name HB3 )) ( segid " " and resid 1219 and name HB% ) 4.200 2.200 1.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.44136E-03 ppm1 2.679 ppm2 1.747 CV 1 ASSI { 864} (( segid " " and resid 1218 and name HA )) (( segid " " and resid 1221 and name HD3 )) 2.900 2.900 3.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 4.482 ppm2 1.739 CV 1 ASSI { 865} (( segid " " and resid 1218 and name HA )) (( segid " " and resid 1221 and name HG2 )) 3.500 1.600 1.600 peak 865 spectrum 1 weight 0.10000E+01 volume 0.16975E-02 ppm1 4.481 ppm2 1.627 CV 1 ASSI { 866} (( segid " " and resid 1297 and name HA )) ( segid " " and resid 1292 and name HB% ) 4.000 2.000 2.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 4.478 ppm2 1.518 CV 1 ASSI { 867} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1218 and name H )) 4.100 2.100 1.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.91047E-03 ppm1 1.762 ppm2 9.112 CV 1 ASSI { 868} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1219 and name H )) 2.100 0.600 0.600 peak 868 spectrum 1 weight 0.10000E+01 volume 0.10738E-01 ppm1 1.762 ppm2 8.286 CV 1 ASSI { 869} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1220 and name H )) 2.500 0.800 0.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.43209E-02 ppm1 1.762 ppm2 8.118 CV 1 ASSI { 870} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1223 and name H )) 3.700 1.700 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 1.764 ppm2 7.911 CV 1 ASSI { 871} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1279 and name H )) 4.000 2.000 2.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.50308E-03 ppm1 1.760 ppm2 7.646 CV 1 ASSI { 872} ( segid " " and resid 1219 and name HB% ) ( segid " " and resid 1278 and name HE% ) 2.500 0.800 0.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.43858E-02 ppm1 1.762 ppm2 7.362 CV 1 ASSI { 873} (( segid " " and resid 1247 and name HA )) (( segid " " and resid 1250 and name HD22)) 4.100 2.100 1.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.72224E-03 ppm1 4.245 ppm2 7.265 CV 1 ASSI { 874} ( segid " " and resid 1219 and name HB% ) ( segid " " and resid 1278 and name HD% ) 2.800 1.000 1.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.30401E-02 ppm1 1.762 ppm2 7.134 CV 1 ASSI { 875} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1219 and name HA )) 2.100 0.500 0.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.14021E-01 ppm1 1.762 ppm2 4.260 CV 1 ASSI { 876} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1279 and name HA )) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.36358E-02 ppm1 1.763 ppm2 3.870 CV 1 ASSI { 877} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1216 and name HA )) 2.600 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.34907E-02 ppm1 1.762 ppm2 3.788 CV 1 ASSI { 878} (( segid " " and resid 1341 and name HA )) (( segid " " and resid 1344 and name HB2 )) 3.200 1.300 1.300 peak 878 spectrum 1 weight 0.10000E+01 volume 0.27160E-02 ppm1 4.320 ppm2 2.832 CV 1 ASSI { 879} (( segid " " and resid 1341 and name HA )) (( segid " " and resid 1344 and name HB3 )) 2.900 2.900 3.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 4.320 ppm2 2.678 CV 1 ASSI { 880} ( segid " " and resid 1219 and name HB% ) (( segid " " and resid 1218 and name HB2 )) 3.000 1.100 1.100 peak 880 spectrum 1 weight 0.10000E+01 volume 0.76544E-03 ppm1 1.764 ppm2 2.839 CV 1 ASSI { 881} (( segid " " and resid 1219 and name HA )) (( segid " " and resid 1222 and name HB2 )) 2.800 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.20926E-02 ppm1 4.261 ppm2 1.952 CV 1 ASSI { 882} (( segid " " and resid 1219 and name HA )) (( segid " " and resid 1223 and name HG )) 2.300 0.700 0.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.62036E-02 ppm1 4.261 ppm2 1.746 CV 1 ASSI { 883} ( segid " " and resid 1219 and name HB% ) ( segid " " and resid 1282 and name HD2%) 2.300 0.700 0.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.51728E-02 ppm1 1.762 ppm2 0.883 CV 1 ASSI { 884} ( segid " " and resid 1219 and name HB% ) ( segid " " and resid 1216 and name HG1%) 4.200 2.200 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.50308E-03 ppm1 1.763 ppm2 0.265 CV 1 ASSI { 885} (( segid " " and resid 1203 and name HA )) (( segid " " and resid 1203 and name HB3 )) 2.500 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.38889E-02 ppm1 4.350 ppm2 1.644 CV 1 ASSI { 887} (( segid " " and resid 1203 and name HA )) (( segid " " and resid 1203 and name HB2 )) 2.500 0.800 0.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.87808E-02 ppm1 4.351 ppm2 2.205 CV 1 ASSI { 888} (( segid " " and resid 1203 and name HB3 )) (( segid " " and resid 1203 and name HG3 )) 2.800 1.000 1.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 1.644 ppm2 1.928 CV 1 ASSI { 889} (( segid " " and resid 1203 and name HB3 )) (( segid " " and resid 1203 and name HB2 )) 1.800 0.400 0.400 peak 889 spectrum 1 weight 0.10000E+01 volume 0.13670E-01 ppm1 1.643 ppm2 2.205 CV 1 ASSI { 890} (( segid " " and resid 1203 and name HD2 )) (( segid " " and resid 1202 and name HB2 )) 4.400 2.400 1.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.48765E-03 ppm1 3.901 ppm2 2.831 CV 1 ASSI { 895} (( segid " " and resid 1203 and name HD3 )) (( segid " " and resid 1203 and name HG2 )) 3.000 1.200 1.200 peak 895 spectrum 1 weight 0.10000E+01 volume 0.31358E-02 ppm1 3.799 ppm2 1.705 CV 1 ASSI { 898} (( segid " " and resid 1203 and name HD2 )) (( segid " " and resid 1203 and name HA )) 3.700 1.700 1.700 peak 898 spectrum 1 weight 0.10000E+01 volume 0.87960E-03 ppm1 3.900 ppm2 4.350 CV 1 ASSI { 899} (( segid " " and resid 1203 and name HD3 )) (( segid " " and resid 1203 and name HA )) 3.600 1.700 1.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.69444E-03 ppm1 3.800 ppm2 4.352 CV 1 ASSI { 902} (( segid " " and resid 1203 and name HD2 )) (( segid " " and resid 1203 and name HD3 )) 1.600 0.300 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.24454E-01 ppm1 3.900 ppm2 3.795 CV 1 ASSI { 904} (( segid " " and resid 1203 and name HB3 )) (( segid " " and resid 1203 and name HD2 )) 4.100 2.100 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.80557E-03 ppm1 1.645 ppm2 3.904 CV 1 ASSI { 905} (( segid " " and resid 1203 and name HB3 )) (( segid " " and resid 1203 and name HD3 )) 3.400 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 1.642 ppm2 3.798 CV 1 ASSI { 906} (( segid " " and resid 1203 and name HB2 )) (( segid " " and resid 1203 and name HD2 )) 3.600 1.600 1.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.14259E-02 ppm1 2.205 ppm2 3.905 CV 1 ASSI { 907} (( segid " " and resid 1203 and name HA )) (( segid " " and resid 1204 and name H )) 3.000 1.100 1.100 peak 907 spectrum 1 weight 0.10000E+01 volume 0.17160E-02 ppm1 4.351 ppm2 8.303 CV 1 ASSI { 908} (( segid " " and resid 1203 and name HB3 )) (( segid " " and resid 1204 and name H )) 4.200 2.200 1.800 peak 908 spectrum 1 weight 0.10000E+01 volume 0.53086E-03 ppm1 1.642 ppm2 8.303 CV 1 ASSI { 909} (( segid " " and resid 1203 and name HD2 )) (( segid " " and resid 1204 and name H )) 3.900 1.900 1.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.43827E-03 ppm1 3.899 ppm2 8.300 CV 1 ASSI { 910} (( segid " " and resid 1203 and name HD3 )) (( segid " " and resid 1204 and name H )) 3.700 3.700 2.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 3.799 ppm2 8.303 CV 1 ASSI { 911} (( segid " " and resid 1223 and name HA )) (( segid " " and resid 1224 and name H )) 3.300 1.400 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 4.369 ppm2 7.576 CV 1 ASSI { 912} (( segid " " and resid 1226 and name HA )) (( segid " " and resid 1226 and name H )) 2.900 1.100 1.100 peak 912 spectrum 1 weight 0.10000E+01 volume 0.21882E-02 ppm1 4.555 ppm2 8.181 CV 1 ASSI { 914} (( segid " " and resid 1226 and name HB3 )) (( segid " " and resid 1226 and name H )) 3.500 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.11203E-02 ppm1 2.716 ppm2 8.182 CV 1 ASSI { 916} (( segid " " and resid 1226 and name HB2 )) (( segid " " and resid 1227 and name H )) 3.500 1.600 1.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.95368E-03 ppm1 2.602 ppm2 8.048 CV 1 ASSI { 922} (( segid " " and resid 1226 and name HB2 )) (( segid " " and resid 1226 and name HA )) 2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.40216E-02 ppm1 2.604 ppm2 4.555 CV 1 ASSI { 923} (( segid " " and resid 1226 and name HB2 )) (( segid " " and resid 1226 and name HB3 )) 1.600 0.300 0.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.33376E-01 ppm1 2.602 ppm2 2.717 CV 1 ASSI { 925} (( segid " " and resid 1226 and name HA )) (( segid " " and resid 1226 and name HB3 )) 2.400 0.700 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.63734E-02 ppm1 4.555 ppm2 2.716 CV 1 ASSI { 927} (( segid " " and resid 1227 and name HA )) (( segid " " and resid 1228 and name H )) 2.100 0.600 0.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.10886E-01 ppm1 4.400 ppm2 8.201 CV 1 ASSI { 930} (( segid " " and resid 1227 and name HB3 )) (( segid " " and resid 1227 and name H )) 2.700 0.900 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.34753E-02 ppm1 1.551 ppm2 8.050 CV 1 OR { 930} (( segid " " and resid 1227 and name HB2 )) (( segid " " and resid 1227 and name H )) ASSI { 931} ( segid " " and resid 1227 and name HD1%) (( segid " " and resid 1228 and name H )) 4.100 2.100 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 0.862 ppm2 8.198 CV 1 ASSI { 932} ( segid " " and resid 1227 and name HD1%) (( segid " " and resid 1227 and name H )) 3.700 1.700 1.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 0.868 ppm2 8.056 CV 1 ASSI { 933} ( segid " " and resid 1227 and name HD1%) (( segid " " and resid 1227 and name HA )) 2.700 0.900 0.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.76201E-02 ppm1 0.862 ppm2 4.400 CV 1 ASSI { 935} ( segid " " and resid 1227 and name HD1%) (( segid " " and resid 1227 and name HB2 )) 2.300 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.96915E-02 ppm1 0.862 ppm2 1.563 CV 1 OR { 935} ( segid " " and resid 1227 and name HD1%) (( segid " " and resid 1227 and name HB3 )) ASSI { 936} (( segid " " and resid 1228 and name HB3 )) ( segid " " and resid 1228 and name HD2%) 2.500 0.800 0.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.42469E-02 ppm1 1.514 ppm2 0.909 CV 1 ASSI { 937} (( segid " " and resid 1232 and name HA )) (( segid " " and resid 1233 and name H )) 2.600 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.34938E-02 ppm1 4.503 ppm2 8.397 CV 1 ASSI { 938} (( segid " " and resid 1232 and name HA )) (( segid " " and resid 1232 and name H )) 3.100 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.15371E-02 ppm1 4.503 ppm2 9.035 CV 1 ASSI { 939} ( segid " " and resid 1232 and name HG2%) (( segid " " and resid 1232 and name H )) 3.100 1.200 1.200 peak 939 spectrum 1 weight 0.10000E+01 volume 0.19630E-02 ppm1 1.187 ppm2 9.035 CV 1 ASSI { 941} ( segid " " and resid 1232 and name HG2%) (( segid " " and resid 1232 and name HA )) 2.400 0.700 0.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.76358E-02 ppm1 1.186 ppm2 4.503 CV 1 ASSI { 942} ( segid " " and resid 1232 and name HG2%) (( segid " " and resid 1232 and name HB )) 2.200 0.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.12824E-01 ppm1 1.186 ppm2 4.325 CV 1 ASSI { 943} (( segid " " and resid 1232 and name HB )) (( segid " " and resid 1232 and name HA )) 2.300 0.700 0.700 peak 943 spectrum 1 weight 0.10000E+01 volume 0.88361E-02 ppm1 4.325 ppm2 4.501 CV 1 ASSI { 947} ( segid " " and resid 1234 and name HG2%) (( segid " " and resid 1235 and name H )) 4.000 2.000 2.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.89815E-03 ppm1 1.316 ppm2 9.100 CV 1 ASSI { 948} ( segid " " and resid 1234 and name HG2%) (( segid " " and resid 1234 and name H )) 2.600 0.800 0.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.52067E-02 ppm1 1.317 ppm2 8.079 CV 1 ASSI { 949} ( segid " " and resid 1234 and name HG2%) (( segid " " and resid 1234 and name HB )) 2.100 0.600 0.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.13231E-01 ppm1 1.316 ppm2 4.728 CV 1 ASSI { 950} (( segid " " and resid 1236 and name HB2 )) (( segid " " and resid 1237 and name H )) 3.300 1.400 1.400 peak 950 spectrum 1 weight 0.10000E+01 volume 0.14506E-02 ppm1 2.185 ppm2 7.791 CV 1 ASSI { 951} (( segid " " and resid 1258 and name HA )) (( segid " " and resid 1258 and name HB3 )) 2.400 0.700 0.700 peak 951 spectrum 1 weight 0.10000E+01 volume 0.56389E-02 ppm1 3.984 ppm2 2.175 CV 1 ASSI { 952} (( segid " " and resid 1236 and name HA )) (( segid " " and resid 1236 and name HB3 )) 2.600 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.46944E-02 ppm1 3.986 ppm2 2.068 CV 1 ASSI { 953} (( segid " " and resid 1236 and name HA )) (( segid " " and resid 1236 and name HG3 )) 2.800 1.000 1.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.28148E-02 ppm1 3.986 ppm2 2.547 CV 1 ASSI { 957} (( segid " " and resid 1329 and name HG2 )) (( segid " " and resid 1329 and name HD3 )) 3.000 1.100 1.100 peak 957 spectrum 1 weight 0.10000E+01 volume 0.28456E-02 ppm1 2.196 ppm2 4.411 CV 1 ASSI { 958} (( segid " " and resid 1329 and name HG3 )) (( segid " " and resid 1329 and name HD3 )) 2.500 0.800 0.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.28703E-02 ppm1 2.091 ppm2 4.413 CV 1 ASSI { 959} (( segid " " and resid 1329 and name HG2 )) (( segid " " and resid 1329 and name HA )) 3.700 1.700 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 2.195 ppm2 4.326 CV 1 ASSI { 960} (( segid " " and resid 1329 and name HG3 )) (( segid " " and resid 1329 and name HA )) 3.400 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.16574E-02 ppm1 2.092 ppm2 4.329 CV 1 ASSI { 961} (( segid " " and resid 1236 and name HB3 )) (( segid " " and resid 1237 and name H )) 3.000 1.100 1.100 peak 961 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 2.067 ppm2 7.791 CV 1 ASSI { 962} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1239 and name H )) 2.600 0.900 0.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.32530E-02 ppm1 1.708 ppm2 8.562 CV 1 ASSI { 963} (( segid " " and resid 1239 and name HA )) (( segid " " and resid 1239 and name H )) 2.700 0.900 0.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.32994E-02 ppm1 3.775 ppm2 8.563 CV 1 ASSI { 965} (( segid " " and resid 1239 and name HA )) (( segid " " and resid 1242 and name H )) 3.100 1.200 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 3.773 ppm2 8.243 CV 1 ASSI { 966} (( segid " " and resid 1239 and name HB3 )) (( segid " " and resid 1239 and name H )) 2.700 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.24506E-02 ppm1 1.939 ppm2 8.563 CV 1 ASSI { 968} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1240 and name H )) 3.800 1.800 1.800 peak 968 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 1.716 ppm2 7.925 CV 1 ASSI { 969} (( segid " " and resid 1239 and name HA )) (( segid " " and resid 1240 and name H )) 3.400 1.500 1.500 peak 969 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 3.774 ppm2 7.931 CV 1 ASSI { 970} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1239 and name HA )) 2.600 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.28519E-02 ppm1 1.707 ppm2 3.773 CV 1 ASSI { 971} (( segid " " and resid 1239 and name HB3 )) (( segid " " and resid 1236 and name HA )) 2.700 0.900 0.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 1.939 ppm2 3.987 CV 1 ASSI { 973} (( segid " " and resid 1221 and name HD2 )) (( segid " " and resid 1221 and name HA )) 3.600 1.600 1.600 peak 973 spectrum 1 weight 0.10000E+01 volume 0.20031E-02 ppm1 1.736 ppm2 4.058 CV 1 OR { 973} (( segid " " and resid 1221 and name HD3 )) (( segid " " and resid 1221 and name HA )) ASSI { 974} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1236 and name HA )) 3.000 1.100 1.100 peak 974 spectrum 1 weight 0.10000E+01 volume 0.25524E-02 ppm1 1.703 ppm2 3.983 CV 1 ASSI { 975} (( segid " " and resid 1239 and name HA )) (( segid " " and resid 1242 and name HB2 )) 2.400 0.700 0.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.53148E-02 ppm1 3.774 ppm2 2.039 CV 1 ASSI { 976} (( segid " " and resid 1239 and name HA )) (( segid " " and resid 1239 and name HB3 )) 3.000 1.100 1.100 peak 976 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 3.774 ppm2 1.936 CV 1 ASSI { 977} (( segid " " and resid 1239 and name HA )) ( segid " " and resid 1288 and name HE% ) 3.000 3.000 3.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 3.775 ppm2 1.823 CV 1 ASSI { 979} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1239 and name HB3 )) 1.900 0.500 0.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.72898E-02 ppm1 1.706 ppm2 1.937 CV 1 ASSI { 981} (( segid " " and resid 1239 and name HA )) (( segid " " and resid 1242 and name HB3 )) 3.100 1.200 1.200 peak 981 spectrum 1 weight 0.10000E+01 volume 0.15957E-02 ppm1 3.773 ppm2 1.246 CV 1 ASSI { 985} (( segid " " and resid 1240 and name HA )) (( segid " " and resid 1243 and name HD21)) 3.500 1.500 1.500 peak 985 spectrum 1 weight 0.10000E+01 volume 0.58024E-03 ppm1 4.245 ppm2 7.382 CV 1 ASSI { 986} (( segid " " and resid 1240 and name HA )) (( segid " " and resid 1240 and name HB3 )) 2.500 0.800 0.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.58209E-02 ppm1 4.245 ppm2 3.993 CV 1 OR { 986} (( segid " " and resid 1240 and name HA )) (( segid " " and resid 1240 and name HB2 )) ASSI { 987} (( segid " " and resid 1240 and name HA )) (( segid " " and resid 1243 and name HB2 )) 2.800 1.000 1.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.19722E-02 ppm1 4.246 ppm2 2.950 CV 1 ASSI { 988} (( segid " " and resid 1240 and name HA )) (( segid " " and resid 1243 and name HB3 )) 4.000 2.000 2.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.12469E-02 ppm1 4.245 ppm2 2.843 CV 1 ASSI { 989} (( segid " " and resid 1241 and name HB2 )) (( segid " " and resid 1242 and name H )) 3.900 1.900 1.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 1.832 ppm2 8.244 CV 1 ASSI { 995} (( segid " " and resid 1241 and name HB2 )) (( segid " " and resid 1241 and name HA )) 2.600 0.800 0.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.26358E-02 ppm1 1.830 ppm2 4.105 CV 1 ASSI { 997} (( segid " " and resid 1348 and name HA )) (( segid " " and resid 1351 and name HB )) 2.800 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 4.106 ppm2 4.294 CV 1 ASSI { 999} (( segid " " and resid 1241 and name HB2 )) (( segid " " and resid 1241 and name HD3 )) 2.800 1.000 1.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.28086E-02 ppm1 1.832 ppm2 3.215 CV 1 OR { 999} (( segid " " and resid 1241 and name HB2 )) (( segid " " and resid 1241 and name HD2 )) ASSI { 1000} (( segid " " and resid 1261 and name HB3 )) (( segid " " and resid 1261 and name HB2 )) 2.000 0.500 0.500 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.77004E-02 ppm1 1.835 ppm2 2.127 CV 1 ASSI { 1001} (( segid " " and resid 1241 and name HB2 )) (( segid " " and resid 1241 and name HB3 )) 1.800 0.400 0.400 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.94874E-02 ppm1 1.831 ppm2 1.931 CV 1 ASSI { 1002} (( segid " " and resid 1241 and name HA )) (( segid " " and resid 1241 and name HB2 )) 2.500 0.800 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.42839E-02 ppm1 4.105 ppm2 1.829 CV 1 OR { 1002} (( segid " " and resid 1241 and name HA )) (( segid " " and resid 1241 and name HG2 )) ASSI { 1003} (( segid " " and resid 1243 and name HA )) (( segid " " and resid 1243 and name H )) 2.600 0.800 0.800 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.38735E-02 ppm1 4.365 ppm2 8.434 CV 1 ASSI { 1005} (( segid " " and resid 1243 and name HA )) (( segid " " and resid 1247 and name H )) 3.700 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.63269E-03 ppm1 4.366 ppm2 7.747 CV 1 ASSI { 1006} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1250 and name H )) 2.000 0.500 0.500 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.10778E-01 ppm1 2.837 ppm2 8.515 CV 1 ASSI { 1007} (( segid " " and resid 1243 and name HB3 )) (( segid " " and resid 1243 and name H )) 3.300 1.400 1.400 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.36111E-02 ppm1 2.843 ppm2 8.435 CV 1 ASSI { 1008} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1251 and name H )) 2.400 0.700 0.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.54104E-02 ppm1 2.837 ppm2 8.098 CV 1 OR { 1008} (( segid " " and resid 1250 and name HB3 )) (( segid " " and resid 1251 and name H )) ASSI { 1009} (( segid " " and resid 1243 and name HB3 )) (( segid " " and resid 1244 and name H )) 3.300 1.300 1.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.22809E-02 ppm1 2.841 ppm2 7.941 CV 1 ASSI { 1010} (( segid " " and resid 1243 and name HB2 )) (( segid " " and resid 1243 and name H )) 2.400 0.700 0.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.40926E-02 ppm1 2.950 ppm2 8.433 CV 1 ASSI { 1011} (( segid " " and resid 1243 and name HB2 )) (( segid " " and resid 1244 and name H )) 2.800 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 2.950 ppm2 7.941 CV 1 ASSI { 1012} (( segid " " and resid 1243 and name HA )) (( segid " " and resid 1243 and name HD21)) 4.000 2.000 2.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.50000E-03 ppm1 4.362 ppm2 7.371 CV 1 ASSI { 1013} (( segid " " and resid 1243 and name HB2 )) (( segid " " and resid 1243 and name HD21)) 2.800 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.14074E-02 ppm1 2.951 ppm2 7.378 CV 1 ASSI { 1014} (( segid " " and resid 1243 and name HB3 )) (( segid " " and resid 1243 and name HD21)) 3.300 1.400 1.400 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.12901E-02 ppm1 2.842 ppm2 7.380 CV 1 ASSI { 1015} (( segid " " and resid 1243 and name HA )) (( segid " " and resid 1243 and name HD22)) 4.300 2.400 1.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.39506E-03 ppm1 4.366 ppm2 6.649 CV 1 ASSI { 1016} (( segid " " and resid 1243 and name HB2 )) (( segid " " and resid 1243 and name HD22)) 3.900 1.900 1.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 2.951 ppm2 6.647 CV 1 ASSI { 1017} (( segid " " and resid 1243 and name HB3 )) (( segid " " and resid 1243 and name HD22)) 4.100 2.100 1.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.94443E-03 ppm1 2.841 ppm2 6.645 CV 1 ASSI { 1018} (( segid " " and resid 1250 and name HB3 )) (( segid " " and resid 1250 and name HA )) 2.200 0.600 0.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.11201E-01 ppm1 2.838 ppm2 4.388 CV 1 OR { 1018} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1250 and name HA )) ASSI { 1020} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1247 and name HA )) 2.200 0.600 0.600 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.71974E-02 ppm1 2.838 ppm2 4.244 CV 1 ASSI { 1022} (( segid " " and resid 1250 and name HB3 )) (( segid " " and resid 1251 and name HA )) 3.300 1.300 1.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 2.838 ppm2 4.132 CV 1 OR { 1022} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1251 and name HA )) ASSI { 1023} (( segid " " and resid 1243 and name HB2 )) (( segid " " and resid 1240 and name HB3 )) 3.200 3.200 2.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 2.950 ppm2 3.996 CV 1 OR { 1023} (( segid " " and resid 1243 and name HB2 )) (( segid " " and resid 1240 and name HB2 )) ASSI { 1024} (( segid " " and resid 1243 and name HA )) (( segid " " and resid 1243 and name HB2 )) 2.900 1.000 1.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.35987E-02 ppm1 4.364 ppm2 2.949 CV 1 ASSI { 1025} (( segid " " and resid 1243 and name HA )) (( segid " " and resid 1243 and name HB3 )) 2.500 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.46203E-02 ppm1 4.366 ppm2 2.842 CV 1 ASSI { 1027} (( segid " " and resid 1243 and name HB2 )) (( segid " " and resid 1243 and name HB3 )) 1.800 0.400 0.400 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.14651E-01 ppm1 2.951 ppm2 2.841 CV 1 ASSI { 1028} (( segid " " and resid 1250 and name HB3 )) ( segid " " and resid 1343 and name HG2%) 3.500 1.500 1.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.82098E-03 ppm1 2.839 ppm2 1.265 CV 1 OR { 1028} (( segid " " and resid 1250 and name HB2 )) ( segid " " and resid 1343 and name HG2%) ASSI { 1032} (( segid " " and resid 1243 and name HA )) (( segid " " and resid 1350 and name HG13)) 2.700 2.700 3.300 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.22407E-02 ppm1 4.365 ppm2 1.574 CV 1 ASSI { 1033} (( segid " " and resid 1243 and name HA )) ( segid " " and resid 1350 and name HG2%) 3.600 1.600 1.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 4.364 ppm2 0.942 CV 1 ASSI { 1036} (( segid " " and resid 1245 and name HA )) (( segid " " and resid 1248 and name H )) 3.000 1.200 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 4.309 ppm2 8.019 CV 1 ASSI { 1037} (( segid " " and resid 1245 and name HA )) (( segid " " and resid 1245 and name H )) 2.600 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.40216E-02 ppm1 4.309 ppm2 8.481 CV 1 ASSI { 1038} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1246 and name H )) 2.600 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.40524E-02 ppm1 1.536 ppm2 9.451 CV 1 ASSI { 1039} (( segid " " and resid 1245 and name HA )) (( segid " " and resid 1246 and name H )) 3.200 1.300 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 4.310 ppm2 9.450 CV 1 ASSI { 1040} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1284 and name H )) 3.700 1.800 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 1.538 ppm2 7.427 CV 1 ASSI { 1041} ( segid " " and resid 1245 and name HB% ) ( segid " " and resid 1281 and name HE% ) 4.100 2.100 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.66973E-03 ppm1 1.536 ppm2 6.983 CV 1 ASSI { 1042} ( segid " " and resid 1245 and name HB% ) ( segid " " and resid 1281 and name HD% ) 2.600 0.800 0.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.39691E-02 ppm1 1.536 ppm2 6.656 CV 1 ASSI { 1043} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1245 and name HA )) 2.100 0.600 0.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.12296E-01 ppm1 1.536 ppm2 4.310 CV 1 ASSI { 1044} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1281 and name HA )) 2.000 0.500 0.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.14213E-01 ppm1 1.536 ppm2 3.944 CV 1 ASSI { 1045} (( segid " " and resid 1245 and name HA )) (( segid " " and resid 1281 and name HA )) 4.200 2.200 1.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 4.310 ppm2 3.949 CV 1 ASSI { 1046} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1281 and name HB2 )) 3.100 1.200 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.14413E-02 ppm1 1.535 ppm2 3.128 CV 1 ASSI { 1047} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1281 and name HB3 )) 3.700 1.700 1.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.24660E-02 ppm1 1.537 ppm2 2.837 CV 1 ASSI { 1048} ( segid " " and resid 1245 and name HB% ) (( segid " " and resid 1244 and name HB3 )) 3.200 1.300 1.300 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 1.536 ppm2 2.124 CV 1 ASSI { 1051} (( segid " " and resid 1250 and name HA )) (( segid " " and resid 1251 and name H )) 3.000 1.200 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 4.395 ppm2 8.102 CV 1 ASSI { 1052} (( segid " " and resid 1250 and name HA )) (( segid " " and resid 1250 and name H )) 2.600 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.36543E-02 ppm1 4.395 ppm2 8.516 CV 1 ASSI { 1053} (( segid " " and resid 1250 and name HA )) (( segid " " and resid 1253 and name H )) 3.000 1.100 1.100 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.15895E-02 ppm1 4.396 ppm2 8.824 CV 1 ASSI { 1054} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1250 and name HD21)) 2.600 0.900 0.900 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.27438E-02 ppm1 2.838 ppm2 6.374 CV 1 OR { 1054} (( segid " " and resid 1250 and name HB3 )) (( segid " " and resid 1250 and name HD21)) ASSI { 1055} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1250 and name HD22)) 3.300 1.300 1.300 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.35247E-02 ppm1 2.837 ppm2 7.269 CV 1 ASSI { 1057} (( segid " " and resid 1251 and name HA )) (( segid " " and resid 1252 and name H )) 3.200 1.200 1.200 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.14074E-02 ppm1 4.135 ppm2 8.550 CV 1 ASSI { 1058} (( segid " " and resid 1340 and name HA )) (( segid " " and resid 1343 and name H )) 3.100 1.200 1.200 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.12716E-02 ppm1 4.125 ppm2 8.387 CV 1 ASSI { 1059} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1252 and name H )) 2.900 1.000 1.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.17191E-02 ppm1 2.295 ppm2 8.553 CV 1 ASSI { 1061} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1251 and name H )) 2.700 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.36327E-02 ppm1 2.295 ppm2 8.096 CV 1 ASSI { 1062} (( segid " " and resid 1251 and name HB2 )) (( segid " " and resid 1251 and name H )) 2.400 0.700 0.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.39722E-02 ppm1 2.221 ppm2 8.095 CV 1 ASSI { 1063} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1251 and name HA )) 2.900 1.000 1.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.32006E-02 ppm1 2.296 ppm2 4.131 CV 1 ASSI { 1064} (( segid " " and resid 1251 and name HB2 )) (( segid " " and resid 1251 and name HA )) 2.600 0.900 0.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.29629E-02 ppm1 2.222 ppm2 4.131 CV 1 ASSI { 1065} (( segid " " and resid 1251 and name HA )) (( segid " " and resid 1254 and name HB )) 2.600 0.800 0.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.35123E-02 ppm1 4.130 ppm2 4.410 CV 1 ASSI { 1066} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1248 and name HA2 )) 3.200 1.200 1.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.95984E-03 ppm1 2.295 ppm2 3.889 CV 1 ASSI { 1067} (( segid " " and resid 1251 and name HB2 )) (( segid " " and resid 1248 and name HA2 )) 3.400 1.400 1.400 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.90123E-03 ppm1 2.222 ppm2 3.887 CV 1 ASSI { 1068} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1250 and name HB2 )) 4.800 2.900 1.200 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.40740E-03 ppm1 2.301 ppm2 2.837 CV 1 OR { 1068} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1250 and name HB3 )) ASSI { 1069} (( segid " " and resid 1251 and name HB2 )) (( segid " " and resid 1250 and name HB2 )) 4.100 2.100 1.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.42592E-03 ppm1 2.219 ppm2 2.830 CV 1 ASSI { 1072} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1251 and name HG3 )) 2.500 0.800 0.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.64472E-02 ppm1 2.296 ppm2 2.453 CV 1 OR { 1072} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1251 and name HG2 )) ASSI { 1074} (( segid " " and resid 1251 and name HB3 )) (( segid " " and resid 1251 and name HB2 )) 1.800 0.400 0.400 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.10672E-01 ppm1 2.297 ppm2 2.228 CV 1 ASSI { 1075} (( segid " " and resid 1334 and name HA )) (( segid " " and resid 1334 and name HG2 )) 3.300 1.300 1.300 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 4.137 ppm2 2.548 CV 1 ASSI { 1076} (( segid " " and resid 1287 and name HA )) (( segid " " and resid 1287 and name HG3 )) 2.600 0.800 0.800 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.44105E-02 ppm1 4.154 ppm2 2.241 CV 1 ASSI { 1077} (( segid " " and resid 1348 and name HA )) (( segid " " and resid 1348 and name HB3 )) 2.400 0.700 0.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.60000E-02 ppm1 4.108 ppm2 2.249 CV 1 OR { 1077} (( segid " " and resid 1348 and name HA )) (( segid " " and resid 1348 and name HB2 )) ASSI { 1079} (( segid " " and resid 1256 and name HB3 )) (( segid " " and resid 1256 and name H )) 3.200 1.300 1.300 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.40031E-02 ppm1 1.870 ppm2 7.900 CV 1 ASSI { 1080} (( segid " " and resid 1256 and name HB3 )) (( segid " " and resid 1257 and name H )) 3.100 1.200 1.200 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.20679E-02 ppm1 1.868 ppm2 7.591 CV 1 ASSI { 1083} (( segid " " and resid 1256 and name HB2 )) (( segid " " and resid 1257 and name H )) 3.100 1.200 1.200 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 1.644 ppm2 7.592 CV 1 ASSI { 1087} (( segid " " and resid 1213 and name HB3 )) (( segid " " and resid 1214 and name H )) 3.800 1.800 1.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 1.839 ppm2 8.201 CV 1 ASSI { 1089} (( segid " " and resid 1322 and name HB3 )) (( segid " " and resid 1322 and name H )) 2.600 0.800 0.800 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.29846E-02 ppm1 1.902 ppm2 8.061 CV 1 ASSI { 1091} (( segid " " and resid 1317 and name HA )) (( segid " " and resid 1318 and name H )) 3.400 1.500 1.500 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.76544E-03 ppm1 4.025 ppm2 8.071 CV 1 ASSI { 1093} (( segid " " and resid 1237 and name HA )) (( segid " " and resid 1238 and name H )) 3.400 1.400 1.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 4.014 ppm2 7.986 CV 1 ASSI { 1095} (( segid " " and resid 1237 and name HA )) (( segid " " and resid 1237 and name H )) 2.800 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.29228E-02 ppm1 4.012 ppm2 7.790 CV 1 ASSI { 1096} (( segid " " and resid 1256 and name HA )) (( segid " " and resid 1259 and name H )) 3.000 1.100 1.100 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.15586E-02 ppm1 4.003 ppm2 8.428 CV 1 ASSI { 1097} (( segid " " and resid 1256 and name HB2 )) (( segid " " and resid 1256 and name HA )) 2.600 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.47037E-02 ppm1 1.646 ppm2 4.013 CV 1 ASSI { 1100} (( segid " " and resid 1256 and name HB3 )) (( segid " " and resid 1256 and name HA )) 2.300 0.700 0.700 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.48302E-02 ppm1 1.871 ppm2 4.020 CV 1 ASSI { 1101} (( segid " " and resid 1256 and name HB3 )) (( segid " " and resid 1256 and name HB2 )) 1.800 0.400 0.400 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.83180E-02 ppm1 1.869 ppm2 1.645 CV 1 ASSI { 1104} (( segid " " and resid 1317 and name HA )) (( segid " " and resid 1317 and name HB2 )) 2.900 1.100 1.100 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.29846E-02 ppm1 4.026 ppm2 1.871 CV 1 ASSI { 1107} (( segid " " and resid 1249 and name HB3 )) (( segid " " and resid 1249 and name HB2 )) 2.100 0.500 0.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.38950E-02 ppm1 1.663 ppm2 0.996 CV 1 ASSI { 1109} (( segid " " and resid 1315 and name HA )) (( segid " " and resid 1315 and name HB2 )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.23673E-02 ppm1 3.988 ppm2 1.201 CV 1 ASSI { 1110} (( segid " " and resid 1315 and name HA )) (( segid " " and resid 1315 and name HG )) 3.200 1.300 1.300 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 3.989 ppm2 1.053 CV 1 ASSI { 1112} (( segid " " and resid 1261 and name HB3 )) (( segid " " and resid 1262 and name H )) 4.600 2.600 1.400 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.34567E-03 ppm1 1.839 ppm2 7.833 CV 1 ASSI { 1113} (( segid " " and resid 1244 and name HB3 )) (( segid " " and resid 1244 and name H )) 2.400 0.700 0.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.59657E-02 ppm1 2.126 ppm2 7.944 CV 1 OR { 1113} (( segid " " and resid 1244 and name HB2 )) (( segid " " and resid 1244 and name H )) ASSI { 1115} (( segid " " and resid 1244 and name HB2 )) (( segid " " and resid 1245 and name H )) 2.700 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.28086E-02 ppm1 2.127 ppm2 8.479 CV 1 OR { 1115} (( segid " " and resid 1244 and name HB3 )) (( segid " " and resid 1245 and name H )) ASSI { 1117} (( segid " " and resid 1244 and name HB3 )) (( segid " " and resid 1244 and name HA )) 2.500 0.800 0.800 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.57901E-02 ppm1 2.126 ppm2 4.163 CV 1 OR { 1117} (( segid " " and resid 1244 and name HB2 )) (( segid " " and resid 1244 and name HA )) ASSI { 1118} (( segid " " and resid 1237 and name HB2 )) (( segid " " and resid 1237 and name HA )) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.25895E-02 ppm1 2.130 ppm2 4.009 CV 1 ASSI { 1119} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1333 and name HB3 )) 2.600 2.600 3.400 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.41543E-02 ppm1 4.548 ppm2 4.068 CV 1 ASSI { 1120} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1330 and name HB3 )) 2.600 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.39784E-02 ppm1 4.548 ppm2 2.756 CV 1 ASSI { 1121} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1330 and name HB2 )) 2.700 0.900 0.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.39475E-02 ppm1 4.549 ppm2 2.697 CV 1 ASSI { 1124} (( segid " " and resid 1267 and name HB3 )) (( segid " " and resid 1267 and name H )) 3.000 1.100 1.100 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.28271E-02 ppm1 1.805 ppm2 7.798 CV 1 ASSI { 1125} ( segid " " and resid 1267 and name HD1%) (( segid " " and resid 1267 and name HB3 )) 3.000 1.200 1.200 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.27098E-02 ppm1 0.780 ppm2 1.806 CV 1 ASSI { 1126} (( segid " " and resid 1267 and name HA )) (( segid " " and resid 1267 and name H )) 2.700 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 3.840 ppm2 7.798 CV 1 ASSI { 1129} (( segid " " and resid 1267 and name HB3 )) (( segid " " and resid 1268 and name H )) 2.700 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.18735E-02 ppm1 1.807 ppm2 8.438 CV 1 ASSI { 1130} ( segid " " and resid 1267 and name HD1%) (( segid " " and resid 1267 and name H )) 3.400 1.400 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 0.780 ppm2 7.789 CV 1 ASSI { 1132} (( segid " " and resid 1267 and name HB2 )) (( segid " " and resid 1267 and name HA )) 2.600 0.800 0.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.29815E-02 ppm1 1.624 ppm2 3.840 CV 1 ASSI { 1133} (( segid " " and resid 1267 and name HB3 )) (( segid " " and resid 1267 and name HA )) 2.800 1.000 1.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.20710E-02 ppm1 1.807 ppm2 3.843 CV 1 ASSI { 1134} ( segid " " and resid 1267 and name HD1%) (( segid " " and resid 1260 and name HA )) 2.400 0.700 0.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.56080E-02 ppm1 0.780 ppm2 4.081 CV 1 ASSI { 1135} ( segid " " and resid 1267 and name HD1%) (( segid " " and resid 1260 and name HB3 )) 3.000 3.000 3.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.42654E-02 ppm1 0.780 ppm2 3.974 CV 1 ASSI { 1136} ( segid " " and resid 1267 and name HD1%) (( segid " " and resid 1267 and name HA )) 2.400 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.81697E-02 ppm1 0.780 ppm2 3.843 CV 1 ASSI { 1137} (( segid " " and resid 1267 and name HB3 )) (( segid " " and resid 1264 and name HA )) 3.200 3.200 2.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.17099E-02 ppm1 1.806 ppm2 4.316 CV 1 ASSI { 1138} ( segid " " and resid 1267 and name HD1%) (( segid " " and resid 1264 and name HA )) 3.200 3.200 2.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 0.779 ppm2 4.316 CV 1 ASSI { 1142} (( segid " " and resid 1267 and name HB2 )) (( segid " " and resid 1267 and name HB3 )) 1.900 0.400 0.400 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.75742E-02 ppm1 1.624 ppm2 1.807 CV 1 ASSI { 1146} ( segid " " and resid 1267 and name HD1%) (( segid " " and resid 1267 and name HG )) 2.100 0.600 0.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.10806E-01 ppm1 0.780 ppm2 1.422 CV 1 ASSI { 1147} (( segid " " and resid 1228 and name HB2 )) ( segid " " and resid 1228 and name HD2%) 2.700 0.900 0.900 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.35864E-02 ppm1 1.583 ppm2 0.914 CV 1 OR { 1147} (( segid " " and resid 1228 and name HB2 )) ( segid " " and resid 1228 and name HD1%) ASSI { 1150} (( segid " " and resid 1267 and name HB2 )) ( segid " " and resid 1267 and name HD1%) 2.700 0.900 0.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 1.625 ppm2 0.791 CV 1 ASSI { 1155} (( segid " " and resid 1303 and name HA )) (( segid " " and resid 1303 and name H )) 2.300 0.700 0.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.76731E-02 ppm1 4.071 ppm2 8.509 CV 1 ASSI { 1158} (( segid " " and resid 1271 and name HA )) (( segid " " and resid 1272 and name H )) 3.600 1.600 1.600 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.62652E-03 ppm1 4.111 ppm2 7.957 CV 1 ASSI { 1160} (( segid " " and resid 1271 and name HB2 )) (( segid " " and resid 1271 and name HB3 )) 2.000 0.500 0.500 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.66513E-02 ppm1 3.609 ppm2 4.074 CV 1 ASSI { 1162} (( segid " " and resid 1271 and name HA )) (( segid " " and resid 1271 and name HB2 )) 2.700 0.900 0.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.26358E-02 ppm1 4.114 ppm2 3.610 CV 1 ASSI { 1166} (( segid " " and resid 1271 and name HA )) ( segid " " and resid 1316 and name HD2%) 3.100 3.100 2.900 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.13025E-02 ppm1 4.114 ppm2 0.813 CV 1 ASSI { 1167} (( segid " " and resid 1271 and name HB2 )) ( segid " " and resid 1316 and name HD2%) 3.500 3.500 2.500 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.97531E-03 ppm1 3.608 ppm2 0.818 CV 1 ASSI { 1168} (( segid " " and resid 1278 and name HA )) (( segid " " and resid 1281 and name H )) 3.100 1.200 1.200 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.11173E-02 ppm1 3.880 ppm2 7.996 CV 1 ASSI { 1169} (( segid " " and resid 1313 and name HB2 )) (( segid " " and resid 1314 and name H )) 3.000 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.14876E-02 ppm1 3.870 ppm2 7.827 CV 1 ASSI { 1170} (( segid " " and resid 1220 and name HA )) (( segid " " and resid 1223 and name H )) 3.200 1.300 1.300 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.11913E-02 ppm1 4.159 ppm2 7.909 CV 1 ASSI { 1174} (( segid " " and resid 1279 and name HB3 )) (( segid " " and resid 1279 and name H )) 2.900 1.000 1.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.22129E-02 ppm1 4.103 ppm2 7.646 CV 1 ASSI { 1177} (( segid " " and resid 1220 and name HA )) (( segid " " and resid 1220 and name H )) 2.900 1.100 1.100 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 4.161 ppm2 8.119 CV 1 ASSI { 1178} (( segid " " and resid 1278 and name HA )) (( segid " " and resid 1278 and name H )) 2.800 1.000 1.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 3.880 ppm2 9.029 CV 1 ASSI { 1180} (( segid " " and resid 1278 and name HA )) ( segid " " and resid 1278 and name HE% ) 4.100 2.100 1.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.62036E-03 ppm1 3.880 ppm2 7.358 CV 1 ASSI { 1181} (( segid " " and resid 1303 and name HA )) (( segid " " and resid 1304 and name HA )) 3.200 3.200 2.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 4.068 ppm2 4.705 CV 1 ASSI { 1182} (( segid " " and resid 1279 and name HB2 )) (( segid " " and resid 1279 and name HA )) 2.700 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.36635E-02 ppm1 4.168 ppm2 3.873 CV 1 ASSI { 1183} (( segid " " and resid 1279 and name HA )) (( segid " " and resid 1282 and name HB2 )) 3.500 1.600 1.600 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.92902E-03 ppm1 3.876 ppm2 1.187 CV 1 ASSI { 1184} (( segid " " and resid 1313 and name HB2 )) ( segid " " and resid 1316 and name HD1%) 3.900 1.900 1.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 3.868 ppm2 0.948 CV 1 ASSI { 1185} (( segid " " and resid 1220 and name HA )) ( segid " " and resid 1282 and name HD2%) 2.500 0.800 0.800 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.29259E-02 ppm1 4.160 ppm2 0.877 CV 1 ASSI { 1188} (( segid " " and resid 1282 and name HA )) (( segid " " and resid 1282 and name HB3 )) 2.800 1.000 1.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.35555E-02 ppm1 3.423 ppm2 1.459 CV 1 ASSI { 1189} (( segid " " and resid 1282 and name HA )) (( segid " " and resid 1282 and name HB2 )) 2.500 0.800 0.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.35154E-02 ppm1 3.423 ppm2 1.185 CV 1 ASSI { 1190} (( segid " " and resid 1282 and name HB3 )) (( segid " " and resid 1282 and name HB2 )) 1.900 0.400 0.400 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.67589E-02 ppm1 1.468 ppm2 1.185 CV 1 ASSI { 1193} ( segid " " and resid 1317 and name HD1%) (( segid " " and resid 1317 and name HB3 )) 2.200 0.600 0.600 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.11111E-01 ppm1 0.843 ppm2 1.458 CV 1 ASSI { 1195} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1282 and name HB2 )) 2.300 0.700 0.700 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.54876E-02 ppm1 0.872 ppm2 1.186 CV 1 OR { 1195} ( segid " " and resid 1282 and name HD2%) (( segid " " and resid 1282 and name HB2 )) ASSI { 1196} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1285 and name HA3 )) 3.500 1.500 1.500 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.86727E-03 ppm1 0.870 ppm2 3.149 CV 1 ASSI { 1197} (( segid " " and resid 1282 and name HA )) (( segid " " and resid 1285 and name HA3 )) 3.200 1.300 1.300 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.82714E-03 ppm1 3.422 ppm2 3.150 CV 1 ASSI { 1200} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1282 and name HA )) 2.200 0.600 0.600 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.85866E-02 ppm1 0.868 ppm2 3.422 CV 1 ASSI { 1203} ( segid " " and resid 1282 and name HD1%) ( segid " " and resid 1281 and name HD% ) 3.100 1.200 1.200 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.21204E-02 ppm1 0.871 ppm2 6.656 CV 1 ASSI { 1204} (( segid " " and resid 1282 and name HB2 )) ( segid " " and resid 1281 and name HD% ) 3.500 1.500 1.500 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.59256E-03 ppm1 1.183 ppm2 6.660 CV 1 ASSI { 1205} (( segid " " and resid 1282 and name HB3 )) ( segid " " and resid 1281 and name HD% ) 4.700 2.800 1.300 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.36111E-03 ppm1 1.479 ppm2 6.656 CV 1 ASSI { 1206} (( segid " " and resid 1282 and name HA )) ( segid " " and resid 1281 and name HD% ) 3.000 1.100 1.100 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.12346E-02 ppm1 3.423 ppm2 6.657 CV 1 ASSI { 1207} ( segid " " and resid 1282 and name HD2%) ( segid " " and resid 1278 and name HD% ) 3.500 1.600 1.600 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.15185E-02 ppm1 0.871 ppm2 7.139 CV 1 ASSI { 1208} ( segid " " and resid 1282 and name HD1%) ( segid " " and resid 1281 and name HE% ) 3.200 1.300 1.300 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 0.868 ppm2 6.988 CV 1 ASSI { 1209} ( segid " " and resid 1282 and name HD2%) (( segid " " and resid 1278 and name HZ )) 2.400 0.700 0.700 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.54259E-02 ppm1 0.870 ppm2 7.422 CV 1 OR { 1209} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1278 and name HZ )) ASSI { 1210} (( segid " " and resid 1282 and name HA )) (( segid " " and resid 1284 and name H )) 3.600 1.600 1.600 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.67589E-03 ppm1 3.422 ppm2 7.424 CV 1 ASSI { 1211} (( segid " " and resid 1282 and name HB3 )) (( segid " " and resid 1284 and name H )) 4.500 2.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.38271E-03 ppm1 1.476 ppm2 7.420 CV 1 ASSI { 1212} (( segid " " and resid 1282 and name HA )) (( segid " " and resid 1283 and name H )) 3.200 1.300 1.300 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 3.423 ppm2 7.851 CV 1 ASSI { 1215} (( segid " " and resid 1282 and name HB2 )) (( segid " " and resid 1283 and name H )) 3.900 1.900 1.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 1.182 ppm2 7.856 CV 1 ASSI { 1216} (( segid " " and resid 1282 and name HA )) (( segid " " and resid 1282 and name H )) 2.600 0.900 0.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.29753E-02 ppm1 3.423 ppm2 8.647 CV 1 ASSI { 1217} (( segid " " and resid 1282 and name HB3 )) (( segid " " and resid 1282 and name H )) 2.800 1.000 1.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.22685E-02 ppm1 1.468 ppm2 8.648 CV 1 ASSI { 1218} (( segid " " and resid 1282 and name HB2 )) (( segid " " and resid 1282 and name H )) 2.400 0.700 0.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.33796E-02 ppm1 1.183 ppm2 8.648 CV 1 ASSI { 1219} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1282 and name H )) 3.500 1.500 1.500 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 0.872 ppm2 8.651 CV 1 ASSI { 1220} ( segid " " and resid 1317 and name HD1%) (( segid " " and resid 1317 and name H )) 3.600 1.700 1.700 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.24197E-02 ppm1 0.841 ppm2 8.625 CV 1 ASSI { 1221} (( segid " " and resid 1282 and name HA )) (( segid " " and resid 1285 and name H )) 2.800 1.000 1.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 3.422 ppm2 8.883 CV 1 ASSI { 1222} ( segid " " and resid 1338 and name HB% ) (( segid " " and resid 1338 and name H )) 2.100 0.600 0.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.10145E-01 ppm1 1.474 ppm2 8.157 CV 1 ASSI { 1223} ( segid " " and resid 1289 and name HB% ) (( segid " " and resid 1290 and name H )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.43086E-02 ppm1 1.478 ppm2 7.947 CV 1 ASSI { 1224} ( segid " " and resid 1289 and name HB% ) (( segid " " and resid 1289 and name H )) 2.200 0.600 0.600 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.87808E-02 ppm1 1.478 ppm2 8.558 CV 1 ASSI { 1225} ( segid " " and resid 1338 and name HB% ) (( segid " " and resid 1339 and name H )) 2.600 0.800 0.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.38703E-02 ppm1 1.474 ppm2 8.457 CV 1 ASSI { 1227} ( segid " " and resid 1338 and name HB% ) (( segid " " and resid 1338 and name HA )) 2.100 0.500 0.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.12555E-01 ppm1 1.474 ppm2 4.217 CV 1 ASSI { 1228} ( segid " " and resid 1289 and name HB% ) (( segid " " and resid 1289 and name HA )) 2.000 0.500 0.500 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.15407E-01 ppm1 1.477 ppm2 3.927 CV 1 ASSI { 1229} ( segid " " and resid 1289 and name HB% ) (( segid " " and resid 1286 and name HA )) 2.300 0.700 0.700 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.65676E-02 ppm1 1.478 ppm2 3.589 CV 1 ASSI { 1230} ( segid " " and resid 1289 and name HB% ) (( segid " " and resid 1286 and name HB )) 2.700 2.700 3.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 1.479 ppm2 2.182 CV 1 ASSI { 1231} ( segid " " and resid 1338 and name HB% ) (( segid " " and resid 1315 and name HB3 )) 3.600 1.600 1.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.22037E-02 ppm1 1.476 ppm2 2.030 CV 1 ASSI { 1232} ( segid " " and resid 1289 and name HB% ) (( segid " " and resid 1301 and name HB )) 3.300 1.400 1.400 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.32376E-02 ppm1 1.478 ppm2 2.281 CV 1 ASSI { 1233} ( segid " " and resid 1289 and name HB% ) ( segid " " and resid 1302 and name HG2%) 2.500 0.800 0.800 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.54938E-02 ppm1 1.478 ppm2 1.075 CV 1 ASSI { 1234} ( segid " " and resid 1289 and name HB% ) ( segid " " and resid 1301 and name HG2%) 2.400 0.700 0.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.76544E-02 ppm1 1.478 ppm2 0.875 CV 1 ASSI { 1235} ( segid " " and resid 1289 and name HB% ) ( segid " " and resid 1305 and name HD1%) 3.100 1.200 1.200 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 1.478 ppm2 0.654 CV 1 ASSI { 1236} ( segid " " and resid 1338 and name HB% ) ( segid " " and resid 1315 and name HD1%) 3.700 3.700 2.300 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.48456E-03 ppm1 1.475 ppm2 0.397 CV 1 ASSI { 1238} ( segid " " and resid 1292 and name HB% ) (( segid " " and resid 1292 and name H )) 2.100 0.600 0.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.12296E-01 ppm1 1.521 ppm2 7.386 CV 1 ASSI { 1240} ( segid " " and resid 1292 and name HB% ) (( segid " " and resid 1292 and name HA )) 2.100 0.600 0.600 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.10343E-01 ppm1 1.521 ppm2 4.417 CV 1 ASSI { 1241} (( segid " " and resid 1292 and name HA )) (( segid " " and resid 1293 and name HD3 )) 2.100 0.500 0.500 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.82034E-02 ppm1 4.413 ppm2 3.610 CV 1 ASSI { 1242} ( segid " " and resid 1292 and name HB% ) (( segid " " and resid 1298 and name HA )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.50710E-02 ppm1 1.521 ppm2 3.797 CV 1 ASSI { 1245} (( segid " " and resid 1294 and name HB3 )) (( segid " " and resid 1296 and name H )) 3.700 1.700 1.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.47530E-03 ppm1 4.001 ppm2 8.958 CV 1 ASSI { 1246} (( segid " " and resid 1294 and name HB2 )) (( segid " " and resid 1296 and name H )) 3.500 1.500 1.500 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.99997E-03 ppm1 4.253 ppm2 8.961 CV 1 ASSI { 1247} (( segid " " and resid 1294 and name HB2 )) (( segid " " and resid 1297 and name H )) 3.900 1.900 1.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.46913E-03 ppm1 4.252 ppm2 7.849 CV 1 ASSI { 1249} (( segid " " and resid 1294 and name HA )) (( segid " " and resid 1294 and name H )) 2.900 1.000 1.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.22531E-02 ppm1 4.863 ppm2 7.362 CV 1 ASSI { 1251} (( segid " " and resid 1294 and name HB2 )) (( segid " " and resid 1294 and name H )) 3.400 1.400 1.400 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.81482E-03 ppm1 4.253 ppm2 7.362 CV 1 ASSI { 1254} (( segid " " and resid 1294 and name HB2 )) (( segid " " and resid 1294 and name HB3 )) 1.900 0.400 0.400 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11787E-01 ppm1 4.253 ppm2 3.999 CV 1 ASSI { 1256} (( segid " " and resid 1294 and name HA )) (( segid " " and resid 1294 and name HB3 )) 2.600 0.800 0.800 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.49722E-02 ppm1 4.862 ppm2 4.001 CV 1 ASSI { 1257} (( segid " " and resid 1294 and name HA )) (( segid " " and resid 1294 and name HB2 )) 2.500 0.800 0.800 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.54012E-02 ppm1 4.862 ppm2 4.253 CV 1 ASSI { 1258} (( segid " " and resid 1297 and name HB3 )) (( segid " " and resid 1297 and name HA )) 2.700 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.25154E-02 ppm1 2.782 ppm2 4.474 CV 1 ASSI { 1259} (( segid " " and resid 1297 and name HB2 )) (( segid " " and resid 1297 and name HA )) 3.300 1.400 1.400 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.13950E-02 ppm1 2.607 ppm2 4.474 CV 1 ASSI { 1260} (( segid " " and resid 1297 and name HB3 )) (( segid " " and resid 1293 and name HD2 )) 3.600 1.700 1.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 2.775 ppm2 3.676 CV 1 ASSI { 1262} (( segid " " and resid 1297 and name HB3 )) ( segid " " and resid 1292 and name HB% ) 3.600 1.700 1.700 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.91972E-03 ppm1 2.780 ppm2 1.521 CV 1 ASSI { 1263} (( segid " " and resid 1297 and name HB2 )) ( segid " " and resid 1292 and name HB% ) 3.200 1.300 1.300 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.86727E-03 ppm1 2.610 ppm2 1.528 CV 1 ASSI { 1264} (( segid " " and resid 1210 and name HA )) ( segid " " and resid 1213 and name HD1%) 2.700 0.900 0.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.31697E-02 ppm1 4.483 ppm2 0.945 CV 1 ASSI { 1266} (( segid " " and resid 1299 and name HA )) (( segid " " and resid 1303 and name H )) 3.600 1.600 1.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.10247E-02 ppm1 4.126 ppm2 8.506 CV 1 ASSI { 1267} (( segid " " and resid 1299 and name HA )) (( segid " " and resid 1302 and name H )) 3.200 1.300 1.300 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.14444E-02 ppm1 4.124 ppm2 8.424 CV 1 ASSI { 1268} ( segid " " and resid 1299 and name HB% ) (( segid " " and resid 1300 and name HB2 )) 3.400 3.400 2.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.16975E-02 ppm1 1.559 ppm2 2.288 CV 1 ASSI { 1269} ( segid " " and resid 1299 and name HB% ) (( segid " " and resid 1302 and name HB )) 3.600 1.700 1.700 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.15771E-02 ppm1 1.559 ppm2 2.201 CV 1 ASSI { 1270} (( segid " " and resid 1301 and name HA )) (( segid " " and resid 1305 and name H )) 4.100 2.100 1.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.42901E-03 ppm1 3.594 ppm2 8.882 CV 1 ASSI { 1271} (( segid " " and resid 1301 and name HA )) (( segid " " and resid 1302 and name H )) 3.400 1.400 1.400 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 3.598 ppm2 8.421 CV 1 ASSI { 1276} (( segid " " and resid 1257 and name HB )) (( segid " " and resid 1258 and name H )) 2.600 0.800 0.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.24444E-02 ppm1 2.282 ppm2 8.178 CV 1 ASSI { 1277} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1289 and name H )) 4.100 2.100 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.74689E-03 ppm1 1.125 ppm2 8.546 CV 1 ASSI { 1278} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1302 and name H )) 2.800 1.000 1.000 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.17253E-02 ppm1 1.125 ppm2 8.423 CV 1 ASSI { 1279} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1301 and name H )) 2.100 0.600 0.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.93548E-02 ppm1 1.124 ppm2 8.244 CV 1 ASSI { 1280} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1305 and name H )) 3.600 1.700 1.700 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.11512E-02 ppm1 0.864 ppm2 8.885 CV 1 ASSI { 1282} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1302 and name H )) 3.300 1.400 1.400 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.16481E-02 ppm1 0.863 ppm2 8.420 CV 1 ASSI { 1283} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1301 and name H )) 3.700 1.700 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.17808E-02 ppm1 0.864 ppm2 8.245 CV 1 ASSI { 1284} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1304 and name H )) 4.200 2.300 1.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.49383E-03 ppm1 1.124 ppm2 8.133 CV 1 ASSI { 1285} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1300 and name H )) 3.600 1.600 1.600 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 1.123 ppm2 7.855 CV 1 ASSI { 1287} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1297 and name HA )) 2.900 2.900 3.100 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.93211E-03 ppm1 1.124 ppm2 4.470 CV 1 ASSI { 1288} (( segid " " and resid 1301 and name HA )) (( segid " " and resid 1300 and name HA )) 3.900 1.900 1.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.47530E-03 ppm1 3.596 ppm2 4.214 CV 1 ASSI { 1290} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1289 and name HA )) 2.600 0.800 0.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.30247E-02 ppm1 1.125 ppm2 3.923 CV 1 ASSI { 1291} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1298 and name HA )) 2.700 0.900 0.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 1.125 ppm2 3.797 CV 1 ASSI { 1292} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1301 and name HA )) 2.500 0.800 0.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.95984E-02 ppm1 1.124 ppm2 3.597 CV 1 ASSI { 1293} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1289 and name HA )) 2.800 1.000 1.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.36790E-02 ppm1 0.863 ppm2 3.922 CV 1 ASSI { 1294} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1298 and name HA )) 4.100 2.100 1.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.82406E-03 ppm1 0.864 ppm2 3.796 CV 1 ASSI { 1295} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1301 and name HA )) 2.400 0.700 0.700 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.61605E-02 ppm1 0.863 ppm2 3.596 CV 1 ASSI { 1296} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1300 and name HA )) 4.300 2.300 1.700 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.66665E-03 ppm1 1.126 ppm2 4.212 CV 1 ASSI { 1297} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1299 and name HA )) 4.100 2.100 1.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.51852E-03 ppm1 1.124 ppm2 4.111 CV 1 ASSI { 1299} (( segid " " and resid 1301 and name HA )) (( segid " " and resid 1304 and name HB3 )) 4.400 2.400 1.600 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 3.595 ppm2 2.775 CV 1 ASSI { 1300} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1304 and name HB2 )) 3.900 1.900 1.900 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.89815E-03 ppm1 1.125 ppm2 3.080 CV 1 ASSI { 1301} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1297 and name HB3 )) 2.900 2.900 3.100 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.14167E-02 ppm1 1.124 ppm2 2.783 CV 1 ASSI { 1302} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1304 and name HB2 )) 3.600 1.600 1.600 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.75614E-03 ppm1 0.863 ppm2 3.089 CV 1 ASSI { 1303} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1334 and name HG2 )) 3.900 3.900 2.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 0.823 ppm2 2.540 CV 1 ASSI { 1304} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1288 and name HG3 )) 3.400 1.400 1.400 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.60803E-03 ppm1 0.863 ppm2 2.646 CV 1 ASSI { 1305} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1288 and name HG3 )) 3.400 3.400 2.600 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 1.124 ppm2 2.633 CV 1 ASSI { 1306} (( segid " " and resid 1301 and name HA )) (( segid " " and resid 1301 and name HB )) 2.700 0.900 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.17963E-02 ppm1 3.595 ppm2 2.280 CV 1 ASSI { 1307} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1301 and name HB )) 2.100 0.600 0.600 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.10525E-01 ppm1 1.124 ppm2 2.281 CV 1 ASSI { 1308} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1301 and name HB )) 2.200 0.600 0.600 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.81325E-02 ppm1 0.863 ppm2 2.282 CV 1 ASSI { 1315} ( segid " " and resid 1301 and name HG2%) ( segid " " and resid 1301 and name HG1%) 2.200 0.600 0.600 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.11108E-01 ppm1 0.863 ppm2 1.117 CV 1 ASSI { 1316} ( segid " " and resid 1301 and name HG1%) ( segid " " and resid 1288 and name HE% ) 3.500 1.500 1.500 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.10957E-02 ppm1 1.124 ppm2 1.823 CV 1 ASSI { 1320} (( segid " " and resid 1303 and name HB2 )) (( segid " " and resid 1304 and name H )) 3.500 1.500 1.500 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.95060E-03 ppm1 4.194 ppm2 8.138 CV 1 OR { 1320} (( segid " " and resid 1303 and name HB3 )) (( segid " " and resid 1304 and name H )) ASSI { 1322} (( segid " " and resid 1312 and name HB3 )) (( segid " " and resid 1274 and name HZ )) 3.300 1.400 1.400 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.63583E-03 ppm1 4.068 ppm2 7.469 CV 1 ASSI { 1324} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1304 and name HD21)) 3.700 1.700 1.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 2.774 ppm2 7.217 CV 1 ASSI { 1325} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1304 and name HD22)) 4.700 2.700 1.300 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.42592E-03 ppm1 2.772 ppm2 7.108 CV 1 ASSI { 1326} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1304 and name H )) 3.300 1.400 1.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 2.773 ppm2 8.134 CV 1 ASSI { 1327} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1304 and name H )) 2.400 0.700 0.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.39382E-02 ppm1 3.086 ppm2 8.133 CV 1 ASSI { 1328} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1305 and name H )) 2.700 0.900 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 3.085 ppm2 8.883 CV 1 ASSI { 1329} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1303 and name H )) 4.500 2.500 1.500 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.39197E-03 ppm1 3.090 ppm2 8.506 CV 1 ASSI { 1330} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1305 and name H )) 3.900 1.900 1.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 2.776 ppm2 8.884 CV 1 ASSI { 1331} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1304 and name HA )) 3.100 1.200 1.200 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 3.086 ppm2 4.704 CV 1 ASSI { 1332} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1304 and name HA )) 2.600 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.27592E-02 ppm1 2.775 ppm2 4.704 CV 1 ASSI { 1334} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1301 and name HA )) 3.100 1.200 1.200 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 3.085 ppm2 3.598 CV 1 ASSI { 1335} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1304 and name HB3 )) 1.800 0.400 0.400 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.97717E-02 ppm1 3.086 ppm2 2.776 CV 1 ASSI { 1337} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1349 and name HB3 )) 4.500 2.500 1.500 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.56481E-03 ppm1 2.770 ppm2 2.302 CV 1 ASSI { 1338} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1305 and name HG )) 4.600 2.600 1.400 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.54321E-03 ppm1 2.779 ppm2 2.096 CV 1 ASSI { 1339} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1349 and name HB3 )) 4.800 2.800 1.200 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.58332E-03 ppm1 3.088 ppm2 2.303 CV 1 ASSI { 1340} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1305 and name HG )) 3.500 1.600 1.600 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.50000E-03 ppm1 3.086 ppm2 2.100 CV 1 ASSI { 1341} (( segid " " and resid 1304 and name HB3 )) (( segid " " and resid 1349 and name HB2 )) 3.300 1.400 1.400 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.96915E-03 ppm1 2.775 ppm2 1.746 CV 1 ASSI { 1342} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1349 and name HB2 )) 4.100 2.100 1.900 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 3.086 ppm2 1.753 CV 1 ASSI { 1350} (( segid " " and resid 1312 and name HA )) (( segid " " and resid 1274 and name HZ )) 2.700 0.900 0.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.18148E-02 ppm1 4.219 ppm2 7.491 CV 1 ASSI { 1351} (( segid " " and resid 1312 and name HA )) ( segid " " and resid 1274 and name HE% ) 3.400 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 4.220 ppm2 7.117 CV 1 ASSI { 1352} (( segid " " and resid 1312 and name HB2 )) (( segid " " and resid 1274 and name HZ )) 3.400 1.400 1.400 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.84569E-03 ppm1 3.583 ppm2 7.487 CV 1 ASSI { 1353} (( segid " " and resid 1312 and name HB2 )) ( segid " " and resid 1278 and name HE% ) 3.700 1.700 1.700 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.47530E-03 ppm1 3.590 ppm2 7.362 CV 1 ASSI { 1356} (( segid " " and resid 1312 and name HA )) (( segid " " and resid 1312 and name HB2 )) 2.700 0.900 0.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.24074E-02 ppm1 4.218 ppm2 3.586 CV 1 ASSI { 1357} (( segid " " and resid 1312 and name HA )) (( segid " " and resid 1312 and name HB3 )) 2.700 0.900 0.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 4.217 ppm2 4.080 CV 1 ASSI { 1358} (( segid " " and resid 1312 and name HB3 )) (( segid " " and resid 1312 and name HB2 )) 2.200 0.600 0.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.36450E-02 ppm1 4.074 ppm2 3.590 CV 1 ASSI { 1359} (( segid " " and resid 1312 and name HA )) (( segid " " and resid 1315 and name HB3 )) 2.700 0.900 0.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.14537E-02 ppm1 4.218 ppm2 2.022 CV 1 ASSI { 1364} (( segid " " and resid 1313 and name HB2 )) (( segid " " and resid 1313 and name H )) 2.600 0.800 0.800 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.20123E-02 ppm1 3.868 ppm2 8.087 CV 1 ASSI { 1366} (( segid " " and resid 1313 and name HB2 )) (( segid " " and resid 1313 and name HB3 )) 1.800 0.400 0.400 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.14574E-01 ppm1 3.868 ppm2 3.999 CV 1 ASSI { 1368} (( segid " " and resid 1235 and name HA )) ( segid " " and resid 1238 and name HB% ) 3.000 1.100 1.100 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.17500E-02 ppm1 3.987 ppm2 1.394 CV 1 ASSI { 1370} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1319 and name H )) 2.500 0.800 0.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.42623E-02 ppm1 1.507 ppm2 8.250 CV 1 ASSI { 1371} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1318 and name H )) 2.100 0.600 0.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.99351E-02 ppm1 1.507 ppm2 8.070 CV 1 ASSI { 1373} (( segid " " and resid 1338 and name HA )) (( segid " " and resid 1338 and name H )) 2.500 0.800 0.800 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.48271E-02 ppm1 4.218 ppm2 8.156 CV 1 ASSI { 1374} (( segid " " and resid 1318 and name HA )) (( segid " " and resid 1318 and name H )) 2.600 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.39104E-02 ppm1 4.210 ppm2 8.068 CV 1 ASSI { 1375} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1317 and name H )) 3.800 1.800 1.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.88274E-03 ppm1 1.509 ppm2 8.621 CV 1 ASSI { 1376} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1335 and name H )) 3.200 1.300 1.300 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.13488E-02 ppm1 1.507 ppm2 7.827 CV 1 ASSI { 1377} (( segid " " and resid 1338 and name HA )) (( segid " " and resid 1341 and name H )) 3.000 1.100 1.100 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.16882E-02 ppm1 4.218 ppm2 7.600 CV 1 ASSI { 1378} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1335 and name HA )) 2.200 0.600 0.600 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.81016E-02 ppm1 1.507 ppm2 3.924 CV 1 ASSI { 1380} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1334 and name HB3 )) 3.100 1.200 1.200 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.17592E-02 ppm1 1.507 ppm2 2.128 CV 1 OR { 1380} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1334 and name HB2 )) ASSI { 1381} ( segid " " and resid 1318 and name HB% ) (( segid " " and resid 1335 and name HB2 )) 2.600 0.800 0.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.17191E-02 ppm1 1.506 ppm2 2.043 CV 1 ASSI { 1382} (( segid " " and resid 1318 and name HA )) (( segid " " and resid 1317 and name HB2 )) 3.600 1.600 1.600 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.62960E-03 ppm1 4.213 ppm2 1.876 CV 1 ASSI { 1383} ( segid " " and resid 1318 and name HB% ) ( segid " " and resid 1335 and name HD1%) 2.400 0.700 0.700 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.58797E-02 ppm1 1.507 ppm2 0.812 CV 1 ASSI { 1385} (( segid " " and resid 1319 and name HA )) (( segid " " and resid 1322 and name HB3 )) 2.500 0.800 0.800 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.25401E-02 ppm1 3.975 ppm2 1.906 CV 1 ASSI { 1386} (( segid " " and resid 1319 and name HA )) (( segid " " and resid 1322 and name H )) 3.100 1.200 1.200 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.14784E-02 ppm1 3.974 ppm2 8.062 CV 1 ASSI { 1388} (( segid " " and resid 1319 and name HA )) (( segid " " and resid 1320 and name H )) 3.500 1.500 1.500 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.79941E-03 ppm1 3.974 ppm2 8.572 CV 1 ASSI { 1389} ( segid " " and resid 1319 and name HB% ) (( segid " " and resid 1320 and name H )) 2.600 0.800 0.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.40956E-02 ppm1 1.420 ppm2 8.571 CV 1 ASSI { 1390} ( segid " " and resid 1319 and name HB% ) (( segid " " and resid 1319 and name H )) 2.200 0.600 0.600 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.91297E-02 ppm1 1.420 ppm2 8.248 CV 1 ASSI { 1391} ( segid " " and resid 1319 and name HB% ) (( segid " " and resid 1318 and name H )) 3.900 1.900 1.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.12531E-02 ppm1 1.420 ppm2 8.066 CV 1 ASSI { 1392} ( segid " " and resid 1319 and name HB% ) (( segid " " and resid 1319 and name HA )) 2.000 0.500 0.500 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.17506E-01 ppm1 1.420 ppm2 3.982 CV 1 ASSI { 1394} ( segid " " and resid 1319 and name HB% ) ( segid " " and resid 1335 and name HD1%) 2.200 0.600 0.600 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.92652E-02 ppm1 1.420 ppm2 0.813 CV 1 ASSI { 1395} ( segid " " and resid 1319 and name HB% ) ( segid " " and resid 1256 and name HD1%) 2.800 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.28611E-02 ppm1 1.420 ppm2 0.598 CV 1 ASSI { 1396} (( segid " " and resid 1320 and name HA )) (( segid " " and resid 1320 and name H )) 2.600 0.800 0.800 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.38302E-02 ppm1 3.813 ppm2 8.574 CV 1 ASSI { 1397} (( segid " " and resid 1320 and name HB3 )) (( segid " " and resid 1320 and name H )) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.23024E-02 ppm1 2.120 ppm2 8.571 CV 1 ASSI { 1398} (( segid " " and resid 1320 and name HB2 )) (( segid " " and resid 1320 and name H )) 2.600 2.600 3.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.30061E-02 ppm1 1.799 ppm2 8.569 CV 1 ASSI { 1401} (( segid " " and resid 1320 and name HA )) (( segid " " and resid 1321 and name H )) 3.500 1.500 1.500 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.84261E-03 ppm1 3.817 ppm2 8.156 CV 1 ASSI { 1402} (( segid " " and resid 1320 and name HA )) (( segid " " and resid 1323 and name H )) 3.400 1.400 1.400 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.75306E-03 ppm1 3.813 ppm2 7.980 CV 1 ASSI { 1403} (( segid " " and resid 1283 and name HA )) (( segid " " and resid 1283 and name H )) 2.500 0.800 0.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.37469E-02 ppm1 3.810 ppm2 7.855 CV 1 ASSI { 1405} (( segid " " and resid 1283 and name HA )) (( segid " " and resid 1284 and name H )) 3.200 1.300 1.300 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 3.811 ppm2 7.430 CV 1 ASSI { 1406} (( segid " " and resid 1293 and name HB2 )) (( segid " " and resid 1294 and name H )) 3.300 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.90431E-03 ppm1 2.110 ppm2 7.357 CV 1 ASSI { 1407} (( segid " " and resid 1293 and name HB2 )) (( segid " " and resid 1293 and name HA )) 2.800 1.000 1.000 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.39568E-02 ppm1 2.111 ppm2 4.445 CV 1 ASSI { 1412} (( segid " " and resid 1320 and name HB3 )) (( segid " " and resid 1320 and name HA )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 2.119 ppm2 3.813 CV 1 ASSI { 1413} (( segid " " and resid 1293 and name HB2 )) (( segid " " and resid 1293 and name HD2 )) 3.600 1.600 1.600 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 2.110 ppm2 3.669 CV 1 ASSI { 1414} (( segid " " and resid 1293 and name HB2 )) (( segid " " and resid 1293 and name HD3 )) 3.900 1.900 1.900 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 2.111 ppm2 3.616 CV 1 ASSI { 1415} (( segid " " and resid 1288 and name HB2 )) (( segid " " and resid 1288 and name HG3 )) 2.900 1.000 1.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.20494E-02 ppm1 1.799 ppm2 2.648 CV 1 OR { 1415} (( segid " " and resid 1288 and name HB3 )) (( segid " " and resid 1288 and name HG3 )) ASSI { 1416} (( segid " " and resid 1288 and name HB3 )) (( segid " " and resid 1288 and name HG2 )) 2.400 0.700 0.700 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.47253E-02 ppm1 1.801 ppm2 2.321 CV 1 OR { 1416} (( segid " " and resid 1288 and name HB2 )) (( segid " " and resid 1288 and name HG2 )) ASSI { 1417} (( segid " " and resid 1320 and name HB2 )) (( segid " " and resid 1320 and name HB3 )) 2.000 0.500 0.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.50524E-02 ppm1 1.798 ppm2 2.120 CV 1 ASSI { 1419} (( segid " " and resid 1283 and name HA )) (( segid " " and resid 1283 and name HG3 )) 3.200 1.300 1.300 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.15833E-02 ppm1 3.809 ppm2 2.455 CV 1 ASSI { 1421} (( segid " " and resid 1320 and name HA )) (( segid " " and resid 1320 and name HB2 )) 2.500 0.800 0.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.31327E-02 ppm1 3.814 ppm2 1.799 CV 1 ASSI { 1422} (( segid " " and resid 1320 and name HA )) (( segid " " and resid 1320 and name HG2 )) 2.800 1.000 1.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.31512E-02 ppm1 3.813 ppm2 1.377 CV 1 ASSI { 1424} (( segid " " and resid 1306 and name HB3 )) (( segid " " and resid 1305 and name HB2 )) 3.500 1.500 1.500 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 2.117 ppm2 1.372 CV 1 ASSI { 1428} ( segid " " and resid 1321 and name HB% ) (( segid " " and resid 1322 and name H )) 2.600 0.800 0.800 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.51512E-02 ppm1 1.531 ppm2 8.059 CV 1 ASSI { 1429} (( segid " " and resid 1323 and name HA )) (( segid " " and resid 1323 and name H )) 2.700 0.900 0.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.29753E-02 ppm1 4.078 ppm2 7.979 CV 1 ASSI { 1431} (( segid " " and resid 1323 and name HA )) (( segid " " and resid 1326 and name HB3 )) 2.900 1.100 1.100 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 4.077 ppm2 1.994 CV 1 ASSI { 1432} (( segid " " and resid 1324 and name HA )) (( segid " " and resid 1324 and name H )) 2.700 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.35617E-02 ppm1 4.334 ppm2 7.315 CV 1 ASSI { 1433} ( segid " " and resid 1324 and name HG2%) (( segid " " and resid 1325 and name H )) 3.600 1.600 1.600 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.17407E-02 ppm1 1.284 ppm2 7.433 CV 1 ASSI { 1434} ( segid " " and resid 1351 and name HG2%) (( segid " " and resid 1352 and name H )) 3.200 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.21759E-02 ppm1 1.281 ppm2 7.860 CV 1 ASSI { 1435} (( segid " " and resid 1324 and name HB )) (( segid " " and resid 1324 and name H )) 3.300 1.400 1.400 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.16296E-02 ppm1 4.382 ppm2 7.331 CV 1 ASSI { 1436} (( segid " " and resid 1324 and name HB )) (( segid " " and resid 1325 and name H )) 3.400 1.400 1.400 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 4.378 ppm2 7.427 CV 1 ASSI { 1437} ( segid " " and resid 1324 and name HG2%) (( segid " " and resid 1324 and name HB )) 1.900 0.500 0.500 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.25324E-01 ppm1 1.280 ppm2 4.381 CV 1 ASSI { 1438} ( segid " " and resid 1343 and name HG2%) (( segid " " and resid 1250 and name HB3 )) 2.700 0.900 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.27191E-02 ppm1 1.274 ppm2 2.851 CV 1 ASSI { 1439} (( segid " " and resid 1324 and name HA )) ( segid " " and resid 1324 and name HG2%) 2.700 0.900 0.900 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.38271E-02 ppm1 4.334 ppm2 1.283 CV 1 ASSI { 1443} (( segid " " and resid 1325 and name HA )) (( segid " " and resid 1326 and name HG2 )) 4.300 2.300 1.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 4.885 ppm2 1.984 CV 1 ASSI { 1444} (( segid " " and resid 1325 and name HB3 )) (( segid " " and resid 1325 and name HB2 )) 2.000 0.500 0.500 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.95984E-02 ppm1 2.865 ppm2 2.522 CV 1 ASSI { 1445} (( segid " " and resid 1325 and name HA )) (( segid " " and resid 1325 and name HB2 )) 2.900 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.34166E-02 ppm1 4.886 ppm2 2.522 CV 1 ASSI { 1446} (( segid " " and resid 1325 and name HA )) (( segid " " and resid 1325 and name HB3 )) 2.700 0.900 0.900 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.22932E-02 ppm1 4.886 ppm2 2.861 CV 1 ASSI { 1448} (( segid " " and resid 1325 and name HA )) (( segid " " and resid 1326 and name HD2 )) 2.200 0.600 0.600 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.63798E-02 ppm1 4.885 ppm2 3.757 CV 1 ASSI { 1449} (( segid " " and resid 1325 and name HA )) (( segid " " and resid 1326 and name HD3 )) 2.700 0.900 0.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.48241E-02 ppm1 4.885 ppm2 3.476 CV 1 ASSI { 1452} (( segid " " and resid 1325 and name HA )) (( segid " " and resid 1325 and name H )) 2.700 0.900 0.900 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.27623E-02 ppm1 4.886 ppm2 7.429 CV 1 ASSI { 1454} (( segid " " and resid 1325 and name HB2 )) (( segid " " and resid 1325 and name H )) 3.000 1.100 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.13457E-02 ppm1 2.519 ppm2 7.431 CV 1 ASSI { 1455} (( segid " " and resid 1325 and name HA )) (( segid " " and resid 1327 and name H )) 3.500 1.500 1.500 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.71602E-03 ppm1 4.885 ppm2 8.008 CV 1 ASSI { 1456} ( segid " " and resid 1327 and name HB% ) (( segid " " and resid 1327 and name HA )) 2.000 0.500 0.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19253E-01 ppm1 1.448 ppm2 4.445 CV 1 ASSI { 1457} (( segid " " and resid 1329 and name HD3 )) (( segid " " and resid 1329 and name HB2 )) 4.000 2.000 2.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.99380E-03 ppm1 4.411 ppm2 2.442 CV 1 ASSI { 1463} (( segid " " and resid 1328 and name HA )) (( segid " " and resid 1328 and name HB2 )) 2.800 1.000 1.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.22222E-02 ppm1 4.657 ppm2 4.163 CV 1 ASSI { 1464} (( segid " " and resid 1328 and name HB3 )) (( segid " " and resid 1328 and name HB2 )) 2.200 0.600 0.600 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.39814E-02 ppm1 3.992 ppm2 4.165 CV 1 ASSI { 1466} (( segid " " and resid 1328 and name HB2 )) (( segid " " and resid 1331 and name HB2 )) 3.200 3.200 2.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.95060E-03 ppm1 4.165 ppm2 1.944 CV 1 ASSI { 1467} (( segid " " and resid 1328 and name HB3 )) (( segid " " and resid 1331 and name HB2 )) 2.900 2.900 3.100 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 3.990 ppm2 1.944 CV 1 ASSI { 1468} (( segid " " and resid 1328 and name HB3 )) (( segid " " and resid 1331 and name HB3 )) 4.200 2.200 1.800 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.88582E-03 ppm1 3.993 ppm2 1.377 CV 1 ASSI { 1469} (( segid " " and resid 1328 and name HB3 )) ( segid " " and resid 1331 and name HD2%) 3.100 1.200 1.200 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 3.989 ppm2 1.041 CV 1 ASSI { 1470} (( segid " " and resid 1328 and name HB2 )) ( segid " " and resid 1331 and name HD2%) 3.200 1.300 1.300 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.86110E-03 ppm1 4.166 ppm2 1.049 CV 1 ASSI { 1471} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1335 and name H )) 3.100 1.200 1.200 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.12870E-02 ppm1 3.925 ppm2 7.828 CV 1 ASSI { 1472} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1336 and name H )) 3.600 1.600 1.600 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 3.921 ppm2 7.743 CV 1 ASSI { 1475} (( segid " " and resid 1221 and name HB2 )) (( segid " " and resid 1221 and name H )) 2.200 0.600 0.600 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.70677E-02 ppm1 1.971 ppm2 7.902 CV 1 ASSI { 1476} (( segid " " and resid 1230 and name HB3 )) (( segid " " and resid 1231 and name H )) 3.700 1.700 1.700 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.93211E-03 ppm1 1.963 ppm2 8.601 CV 1 ASSI { 1477} (( segid " " and resid 1332 and name HB3 )) (( segid " " and resid 1329 and name HA )) 4.100 2.100 1.900 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.14444E-02 ppm1 1.935 ppm2 4.326 CV 1 ASSI { 1478} (( segid " " and resid 1314 and name HB3 )) (( segid " " and resid 1311 and name HA )) 3.900 1.900 1.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.17160E-02 ppm1 1.954 ppm2 4.188 CV 1 ASSI { 1479} (( segid " " and resid 1221 and name HB2 )) (( segid " " and resid 1221 and name HA )) 2.400 0.700 0.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.66048E-02 ppm1 1.971 ppm2 4.057 CV 1 OR { 1479} (( segid " " and resid 1221 and name HB3 )) (( segid " " and resid 1221 and name HA )) ASSI { 1481} (( segid " " and resid 1326 and name HB3 )) (( segid " " and resid 1326 and name HA )) 2.300 0.700 0.700 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.47715E-02 ppm1 1.984 ppm2 4.499 CV 1 ASSI { 1482} (( segid " " and resid 1230 and name HB3 )) (( segid " " and resid 1230 and name HD2 )) 3.700 1.700 1.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 1.964 ppm2 3.776 CV 1 ASSI { 1483} (( segid " " and resid 1230 and name HB3 )) (( segid " " and resid 1230 and name HD3 )) 3.400 1.500 1.500 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.15062E-02 ppm1 1.962 ppm2 3.621 CV 1 ASSI { 1484} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1331 and name HB2 )) 2.900 2.900 3.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.42531E-02 ppm1 3.922 ppm2 1.946 CV 1 ASSI { 1486} (( segid " " and resid 1326 and name HB3 )) (( segid " " and resid 1326 and name HB2 )) 1.800 0.400 0.400 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.12667E-01 ppm1 1.991 ppm2 2.272 CV 1 ASSI { 1487} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1332 and name HG2 )) 2.600 0.900 0.900 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.28920E-02 ppm1 3.924 ppm2 1.333 CV 1 OR { 1487} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1332 and name HG3 )) ASSI { 1490} (( segid " " and resid 1332 and name HB3 )) (( segid " " and resid 1332 and name HG3 )) 2.800 1.000 1.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 1.934 ppm2 1.333 CV 1 OR { 1490} (( segid " " and resid 1332 and name HB3 )) (( segid " " and resid 1332 and name HG2 )) ASSI { 1491} (( segid " " and resid 1221 and name HB2 )) (( segid " " and resid 1221 and name HD2 )) 2.600 0.800 0.800 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.41018E-02 ppm1 1.972 ppm2 1.731 CV 1 OR { 1491} (( segid " " and resid 1221 and name HB3 )) (( segid " " and resid 1221 and name HD2 )) OR { 1491} (( segid " " and resid 1221 and name HB3 )) (( segid " " and resid 1221 and name HD3 )) OR { 1491} (( segid " " and resid 1221 and name HB2 )) (( segid " " and resid 1221 and name HD3 )) ASSI { 1492} (( segid " " and resid 1332 and name HA )) ( segid " " and resid 1322 and name HD2%) 2.700 0.900 0.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.32438E-02 ppm1 3.922 ppm2 0.983 CV 1 ASSI { 1496} (( segid " " and resid 1335 and name HB3 )) (( segid " " and resid 1336 and name H )) 3.000 1.100 1.100 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.89506E-03 ppm1 1.526 ppm2 7.739 CV 1 ASSI { 1499} (( segid " " and resid 1335 and name HA )) (( segid " " and resid 1337 and name H )) 3.100 1.200 1.200 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.15586E-02 ppm1 3.915 ppm2 8.155 CV 1 ASSI { 1502} (( segid " " and resid 1335 and name HB3 )) (( segid " " and resid 1335 and name HA )) 2.800 1.000 1.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.28425E-02 ppm1 1.526 ppm2 3.917 CV 1 ASSI { 1503} (( segid " " and resid 1335 and name HB2 )) (( segid " " and resid 1335 and name HA )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.31018E-02 ppm1 2.041 ppm2 3.922 CV 1 ASSI { 1504} (( segid " " and resid 1335 and name HB3 )) (( segid " " and resid 1335 and name HB2 )) 2.000 0.500 0.500 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.47623E-02 ppm1 1.525 ppm2 2.042 CV 1 ASSI { 1511} (( segid " " and resid 1340 and name HB2 )) (( segid " " and resid 1340 and name H )) 2.100 0.500 0.500 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.97810E-02 ppm1 1.976 ppm2 7.784 CV 1 ASSI { 1513} (( segid " " and resid 1339 and name HA )) (( segid " " and resid 1340 and name H )) 3.400 1.400 1.400 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.95984E-03 ppm1 3.959 ppm2 7.781 CV 1 ASSI { 1514} (( segid " " and resid 1339 and name HA )) (( segid " " and resid 1342 and name H )) 3.000 1.100 1.100 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.15031E-02 ppm1 3.959 ppm2 7.641 CV 1 ASSI { 1517} (( segid " " and resid 1273 and name HB3 )) (( segid " " and resid 1274 and name HA )) 3.100 1.200 1.200 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.12901E-02 ppm1 2.000 ppm2 3.915 CV 1 ASSI { 1518} (( segid " " and resid 1283 and name HB3 )) (( segid " " and resid 1283 and name HA )) 2.700 0.900 0.900 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.25617E-02 ppm1 2.002 ppm2 3.809 CV 1 ASSI { 1520} (( segid " " and resid 1283 and name HB2 )) (( segid " " and resid 1283 and name HA )) 3.100 1.200 1.200 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.22623E-02 ppm1 2.105 ppm2 3.810 CV 1 ASSI { 1523} ( segid " " and resid 1253 and name HB% ) ( segid " " and resid 1342 and name HG1%) 2.800 1.000 1.000 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.30308E-02 ppm1 1.595 ppm2 0.991 CV 1 ASSI { 1524} ( segid " " and resid 1341 and name HB% ) (( segid " " and resid 1341 and name HA )) 2.000 0.500 0.500 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.16806E-01 ppm1 1.598 ppm2 4.318 CV 1 ASSI { 1525} (( segid " " and resid 1341 and name HA )) (( segid " " and resid 1341 and name H )) 2.600 0.800 0.800 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.43611E-02 ppm1 4.320 ppm2 7.600 CV 1 ASSI { 1526} ( segid " " and resid 1247 and name HB% ) (( segid " " and resid 1248 and name H )) 2.500 0.800 0.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.58518E-02 ppm1 1.582 ppm2 8.021 CV 1 ASSI { 1527} ( segid " " and resid 1253 and name HB% ) (( segid " " and resid 1253 and name H )) 2.100 0.600 0.600 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.99724E-02 ppm1 1.593 ppm2 8.821 CV 1 ASSI { 1529} ( segid " " and resid 1247 and name HB% ) (( segid " " and resid 1246 and name H )) 3.900 1.900 1.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 1.584 ppm2 9.450 CV 1 ASSI { 1533} (( segid " " and resid 1342 and name HA )) (( segid " " and resid 1342 and name H )) 2.700 0.900 0.900 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.22809E-02 ppm1 3.684 ppm2 7.646 CV 1 ASSI { 1534} (( segid " " and resid 1342 and name HA )) (( segid " " and resid 1345 and name H )) 3.500 1.600 1.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.61419E-03 ppm1 3.686 ppm2 7.933 CV 1 ASSI { 1536} (( segid " " and resid 1329 and name HB2 )) (( segid " " and resid 1329 and name HA )) 2.600 0.900 0.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.61483E-02 ppm1 2.444 ppm2 4.326 CV 1 ASSI { 1537} (( segid " " and resid 1342 and name HB )) (( segid " " and resid 1339 and name HA )) 2.800 1.000 1.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 2.431 ppm2 3.960 CV 1 ASSI { 1538} (( segid " " and resid 1342 and name HA )) (( segid " " and resid 1311 and name HB2 )) 2.600 0.800 0.800 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.30339E-02 ppm1 3.684 ppm2 4.010 CV 1 ASSI { 1540} (( segid " " and resid 1342 and name HA )) (( segid " " and resid 1342 and name HB )) 3.100 1.200 1.200 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 3.684 ppm2 2.434 CV 1 ASSI { 1546} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1342 and name H )) 2.200 0.600 0.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.67717E-02 ppm1 1.092 ppm2 7.645 CV 1 ASSI { 1547} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1274 and name HZ )) 2.800 1.000 1.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.20370E-02 ppm1 1.092 ppm2 7.489 CV 1 ASSI { 1548} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1315 and name H )) 3.300 1.300 1.300 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.17808E-02 ppm1 1.092 ppm2 7.926 CV 1 ASSI { 1549} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1339 and name H )) 3.100 1.200 1.200 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.63269E-03 ppm1 1.096 ppm2 8.478 CV 1 ASSI { 1550} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1343 and name H )) 3.700 1.700 1.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.17006E-02 ppm1 1.094 ppm2 8.389 CV 1 ASSI { 1551} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1312 and name H )) 2.900 1.000 1.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.21419E-02 ppm1 1.092 ppm2 8.766 CV 1 ASSI { 1552} ( segid " " and resid 1342 and name HG2%) ( segid " " and resid 1274 and name HE% ) 3.700 1.700 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 1.093 ppm2 7.123 CV 1 ASSI { 1553} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1342 and name HA )) 2.300 0.600 0.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.69415E-02 ppm1 1.092 ppm2 3.683 CV 1 ASSI { 1554} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1311 and name HB2 )) 2.200 0.600 0.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.97008E-02 ppm1 1.092 ppm2 3.992 CV 1 ASSI { 1555} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1312 and name HA )) 2.100 0.600 0.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.67345E-02 ppm1 1.093 ppm2 4.214 CV 1 ASSI { 1556} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1342 and name HB )) 2.200 0.600 0.600 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.65740E-02 ppm1 1.092 ppm2 2.432 CV 1 ASSI { 1557} (( segid " " and resid 1329 and name HB2 )) (( segid " " and resid 1329 and name HB3 )) 1.800 0.400 0.400 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.12003E-01 ppm1 2.445 ppm2 2.049 CV 1 ASSI { 1558} ( segid " " and resid 1342 and name HG2%) (( segid " " and resid 1315 and name HB3 )) 2.700 0.900 0.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.29722E-02 ppm1 1.093 ppm2 2.024 CV 1 ASSI { 1559} ( segid " " and resid 1342 and name HG2%) ( segid " " and resid 1315 and name HD1%) 2.200 2.200 3.800 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.53364E-02 ppm1 1.092 ppm2 0.401 CV 1 ASSI { 1560} (( segid " " and resid 1343 and name HA )) (( segid " " and resid 1346 and name H )) 3.200 1.300 1.300 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 4.112 ppm2 8.503 CV 1 ASSI { 1562} (( segid " " and resid 1343 and name HA )) (( segid " " and resid 1344 and name H )) 3.400 1.400 1.400 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.87651E-03 ppm1 4.115 ppm2 8.936 CV 1 ASSI { 1563} (( segid " " and resid 1343 and name HA )) (( segid " " and resid 1343 and name HB )) 2.800 1.000 1.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.24783E-02 ppm1 4.114 ppm2 4.209 CV 1 ASSI { 1564} (( segid " " and resid 1343 and name HA )) (( segid " " and resid 1346 and name HB )) 2.700 0.900 0.900 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.26018E-02 ppm1 4.115 ppm2 2.028 CV 1 ASSI { 1565} ( segid " " and resid 1354 and name HG2%) (( segid " " and resid 1239 and name HG3 )) 2.900 2.900 3.100 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.21481E-02 ppm1 1.267 ppm2 2.038 CV 1 ASSI { 1568} (( segid " " and resid 1344 and name HA )) (( segid " " and resid 1344 and name H )) 2.600 0.900 0.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.37067E-02 ppm1 4.500 ppm2 8.939 CV 1 ASSI { 1570} (( segid " " and resid 1344 and name HB2 )) (( segid " " and resid 1344 and name H )) 2.700 0.900 0.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.28456E-02 ppm1 2.832 ppm2 8.938 CV 1 ASSI { 1572} (( segid " " and resid 1344 and name HB3 )) (( segid " " and resid 1345 and name H )) 3.000 1.100 1.100 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.12346E-02 ppm1 2.678 ppm2 7.931 CV 1 ASSI { 1573} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1346 and name H )) 2.800 1.000 1.000 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 3.635 ppm2 8.500 CV 1 ASSI { 1574} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1347 and name H )) 3.300 1.300 1.300 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 3.637 ppm2 8.410 CV 1 ASSI { 1578} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1347 and name H )) 2.900 2.900 3.100 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 0.544 ppm2 8.400 CV 1 ASSI { 1579} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1249 and name H )) 4.100 2.100 1.900 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.73148E-03 ppm1 0.543 ppm2 8.133 CV 1 ASSI { 1580} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1349 and name H )) 3.200 1.300 1.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 3.635 ppm2 7.595 CV 1 ASSI { 1581} ( segid " " and resid 1346 and name HD1%) ( segid " " and resid 1274 and name HE% ) 3.200 1.300 1.300 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.50308E-03 ppm1 0.540 ppm2 7.124 CV 1 ASSI { 1582} ( segid " " and resid 1346 and name HD1%) ( segid " " and resid 1281 and name HE% ) 3.000 3.000 3.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.81173E-03 ppm1 0.543 ppm2 6.990 CV 1 ASSI { 1583} ( segid " " and resid 1346 and name HD1%) ( segid " " and resid 1281 and name HD% ) 3.300 1.400 1.400 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.41975E-03 ppm1 0.545 ppm2 6.653 CV 1 ASSI { 1584} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1250 and name HD21)) 3.900 1.900 1.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.54321E-03 ppm1 0.543 ppm2 6.376 CV 1 ASSI { 1585} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1343 and name HA )) 2.500 0.800 0.800 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 0.543 ppm2 4.116 CV 1 ASSI { 1586} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1246 and name HA )) 3.100 1.200 1.200 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 0.542 ppm2 4.021 CV 1 ASSI { 1587} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1250 and name HA )) 2.800 1.000 1.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.18704E-02 ppm1 0.543 ppm2 4.395 CV 1 ASSI { 1590} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1346 and name HA )) 3.700 1.700 1.700 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 0.543 ppm2 3.639 CV 1 ASSI { 1591} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1250 and name HB2 )) 3.200 1.300 1.300 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 0.543 ppm2 2.837 CV 1 OR { 1591} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1250 and name HB3 )) ASSI { 1592} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1342 and name HB )) 3.300 1.300 1.300 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.46605E-03 ppm1 0.543 ppm2 2.428 CV 1 ASSI { 1593} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1349 and name HB3 )) 2.900 1.100 1.100 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 3.636 ppm2 2.304 CV 1 ASSI { 1594} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1346 and name HB )) 3.000 1.100 1.100 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.17469E-02 ppm1 3.637 ppm2 2.035 CV 1 ASSI { 1595} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1346 and name HG13)) 3.000 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.16698E-02 ppm1 3.635 ppm2 1.863 CV 1 ASSI { 1596} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1349 and name HB2 )) 3.100 1.200 1.200 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.11821E-02 ppm1 3.635 ppm2 1.753 CV 1 ASSI { 1597} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1346 and name HB )) 2.400 0.700 0.700 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.44938E-02 ppm1 0.543 ppm2 2.029 CV 1 ASSI { 1598} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1346 and name HG13)) 2.200 0.600 0.600 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.52284E-02 ppm1 0.543 ppm2 1.863 CV 1 ASSI { 1599} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1249 and name HB3 )) 2.400 0.700 0.700 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.29784E-02 ppm1 0.543 ppm2 1.658 CV 1 ASSI { 1600} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1249 and name HG )) 2.500 0.800 0.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.26234E-02 ppm1 0.543 ppm2 1.362 CV 1 ASSI { 1601} ( segid " " and resid 1346 and name HD1%) ( segid " " and resid 1342 and name HG1%) 2.100 0.600 0.600 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.89413E-02 ppm1 0.543 ppm2 0.979 CV 1 ASSI { 1602} ( segid " " and resid 1346 and name HD1%) ( segid " " and resid 1346 and name HG2%) 2.300 0.600 0.600 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.67775E-02 ppm1 0.543 ppm2 0.887 CV 1 ASSI { 1606} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1346 and name HG12)) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 3.636 ppm2 0.458 CV 1 ASSI { 1608} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1347 and name H )) 2.900 1.100 1.100 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.29598E-02 ppm1 0.879 ppm2 8.410 CV 1 ASSI { 1609} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1250 and name HD22)) 4.000 2.000 2.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.39197E-03 ppm1 0.543 ppm2 7.268 CV 1 ASSI { 1610} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1250 and name HD22)) 3.000 1.100 1.100 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.12870E-02 ppm1 0.879 ppm2 7.271 CV 1 ASSI { 1611} ( segid " " and resid 1346 and name HG2%) ( segid " " and resid 1281 and name HE% ) 2.800 1.000 1.000 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.21173E-02 ppm1 0.879 ppm2 6.988 CV 1 ASSI { 1612} ( segid " " and resid 1346 and name HG2%) ( segid " " and resid 1281 and name HD% ) 3.000 1.100 1.100 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.75614E-03 ppm1 0.876 ppm2 6.653 CV 1 ASSI { 1613} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1246 and name H )) 3.100 3.100 2.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.68520E-03 ppm1 0.879 ppm2 9.451 CV 1 ASSI { 1614} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1250 and name HD21)) 3.600 1.600 1.600 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 0.878 ppm2 6.375 CV 1 ASSI { 1615} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1343 and name HA )) 4.000 2.000 2.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 0.879 ppm2 4.115 CV 1 ASSI { 1616} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1246 and name HA )) 2.700 0.900 0.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 0.879 ppm2 4.023 CV 1 ASSI { 1617} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1347 and name HA )) 3.000 1.100 1.100 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17160E-02 ppm1 0.880 ppm2 4.500 CV 1 ASSI { 1618} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1243 and name HA )) 4.500 2.500 1.500 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.81173E-03 ppm1 0.879 ppm2 4.375 CV 1 ASSI { 1619} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1247 and name HA )) 3.200 1.300 1.300 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.54629E-03 ppm1 0.878 ppm2 4.241 CV 1 ASSI { 1620} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1346 and name HA )) 2.400 0.700 0.700 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.51142E-02 ppm1 0.879 ppm2 3.636 CV 1 ASSI { 1621} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1350 and name HA )) 4.500 2.500 1.500 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.53086E-03 ppm1 0.878 ppm2 3.826 CV 1 ASSI { 1622} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1347 and name HB2 )) 4.200 2.200 1.800 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.55247E-03 ppm1 0.878 ppm2 2.986 CV 1 ASSI { 1623} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1250 and name HB2 )) 3.300 1.300 1.300 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.18148E-02 ppm1 0.879 ppm2 2.840 CV 1 OR { 1623} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1250 and name HB3 )) ASSI { 1624} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1346 and name HB )) 2.200 0.600 0.600 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.77376E-02 ppm1 0.879 ppm2 2.029 CV 1 ASSI { 1625} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1346 and name HG13)) 3.300 1.400 1.400 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 0.878 ppm2 1.866 CV 1 ASSI { 1628} ( segid " " and resid 1346 and name HG2%) ( segid " " and resid 1249 and name HD2%) 4.300 2.300 1.700 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.45678E-03 ppm1 0.883 ppm2 0.197 CV 1 ASSI { 1629} ( segid " " and resid 1346 and name HD1%) ( segid " " and resid 1249 and name HD2%) 2.600 0.800 0.800 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.33302E-02 ppm1 0.543 ppm2 0.197 CV 1 ASSI { 1631} (( segid " " and resid 1347 and name HA )) (( segid " " and resid 1347 and name HB3 )) 2.500 0.800 0.800 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.42531E-02 ppm1 4.501 ppm2 2.879 CV 1 ASSI { 1632} (( segid " " and resid 1347 and name HA )) (( segid " " and resid 1350 and name HB )) 2.700 0.900 0.900 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.31852E-02 ppm1 4.499 ppm2 2.203 CV 1 ASSI { 1633} (( segid " " and resid 1347 and name HA )) (( segid " " and resid 1350 and name HG12)) 2.700 0.900 0.900 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.24537E-02 ppm1 4.499 ppm2 1.580 CV 1 ASSI { 1635} (( segid " " and resid 1347 and name HB2 )) (( segid " " and resid 1347 and name H )) 2.500 0.800 0.800 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.40000E-02 ppm1 2.989 ppm2 8.414 CV 1 ASSI { 1636} (( segid " " and resid 1347 and name HB3 )) (( segid " " and resid 1347 and name H )) 3.100 1.200 1.200 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.32500E-02 ppm1 2.879 ppm2 8.414 CV 1 ASSI { 1637} (( segid " " and resid 1349 and name HA )) (( segid " " and resid 1349 and name H )) 2.700 0.900 0.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.26790E-02 ppm1 4.238 ppm2 7.597 CV 1 ASSI { 1640} (( segid " " and resid 1349 and name HB3 )) (( segid " " and resid 1350 and name H )) 2.800 0.900 0.900 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 2.304 ppm2 8.405 CV 1 ASSI { 1644} (( segid " " and resid 1349 and name HA )) (( segid " " and resid 1350 and name H )) 3.400 1.400 1.400 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.81173E-03 ppm1 4.236 ppm2 8.401 CV 1 ASSI { 1647} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1305 and name H )) 4.000 2.000 2.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.58024E-03 ppm1 1.052 ppm2 8.883 CV 1 ASSI { 1648} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1281 and name HZ )) 2.500 0.800 0.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.45864E-02 ppm1 1.051 ppm2 7.054 CV 1 ASSI { 1649} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1349 and name HA )) 3.200 1.300 1.300 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.19352E-02 ppm1 1.051 ppm2 4.234 CV 1 ASSI { 1653} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1346 and name HA )) 3.600 1.600 1.600 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 1.052 ppm2 3.627 CV 1 ASSI { 1654} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1350 and name HA )) 3.700 1.700 1.700 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.57098E-03 ppm1 1.052 ppm2 3.817 CV 1 ASSI { 1655} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1304 and name HB2 )) 4.400 2.400 1.600 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.96607E-03 ppm1 1.053 ppm2 3.090 CV 1 ASSI { 1656} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1304 and name HB3 )) 4.500 2.500 1.500 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.98764E-03 ppm1 1.052 ppm2 2.774 CV 1 ASSI { 1657} (( segid " " and resid 1349 and name HA )) (( segid " " and resid 1352 and name HG3 )) 3.500 1.600 1.600 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.72224E-03 ppm1 4.240 ppm2 2.691 CV 1 ASSI { 1658} (( segid " " and resid 1349 and name HA )) (( segid " " and resid 1349 and name HB3 )) 2.700 0.900 0.900 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.39197E-02 ppm1 4.238 ppm2 2.312 CV 1 ASSI { 1659} (( segid " " and resid 1349 and name HB2 )) (( segid " " and resid 1349 and name HB3 )) 2.000 0.500 0.500 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.42376E-02 ppm1 1.756 ppm2 2.304 CV 1 ASSI { 1660} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1305 and name HG )) 3.500 1.600 1.600 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 1.051 ppm2 2.081 CV 1 ASSI { 1661} ( segid " " and resid 1349 and name HD1%) (( segid " " and resid 1349 and name HB3 )) 2.300 0.700 0.700 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.45586E-02 ppm1 1.051 ppm2 2.305 CV 1 ASSI { 1663} (( segid " " and resid 1349 and name HA )) (( segid " " and resid 1349 and name HB2 )) 2.400 0.700 0.700 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.40956E-02 ppm1 4.238 ppm2 1.748 CV 1 ASSI { 1664} (( segid " " and resid 1305 and name HB3 )) (( segid " " and resid 1305 and name HB2 )) 2.200 0.600 0.600 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.32376E-02 ppm1 2.292 ppm2 1.373 CV 1 ASSI { 1669} (( segid " " and resid 1351 and name HA )) (( segid " " and resid 1351 and name H )) 2.700 0.900 0.900 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.34321E-02 ppm1 4.025 ppm2 8.244 CV 1 ASSI { 1670} (( segid " " and resid 1351 and name HB )) (( segid " " and resid 1351 and name H )) 2.600 0.800 0.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.34197E-02 ppm1 4.294 ppm2 8.244 CV 1 ASSI { 1671} (( segid " " and resid 1351 and name HB )) (( segid " " and resid 1352 and name H )) 2.700 0.900 0.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 4.293 ppm2 7.851 CV 1 ASSI { 1674} (( segid " " and resid 1351 and name HA )) (( segid " " and resid 1351 and name HB )) 2.600 0.900 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.45370E-02 ppm1 4.025 ppm2 4.298 CV 1 ASSI { 1676} ( segid " " and resid 1354 and name HG2%) (( segid " " and resid 1354 and name HB )) 2.100 0.500 0.500 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.15046E-01 ppm1 1.263 ppm2 4.335 CV 1 ASSI { 1678} (( segid " " and resid 1351 and name HB )) ( segid " " and resid 1351 and name HG2%) 2.600 0.800 0.800 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.41018E-02 ppm1 4.294 ppm2 1.279 CV 1 ASSI { 1680} (( segid " " and resid 1352 and name HA )) (( segid " " and resid 1352 and name H )) 2.600 0.800 0.800 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.43333E-02 ppm1 4.343 ppm2 7.855 CV 1 ASSI { 1681} (( segid " " and resid 1352 and name HB2 )) (( segid " " and resid 1353 and name H )) 3.400 1.500 1.500 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.79941E-03 ppm1 2.344 ppm2 8.047 CV 1 OR { 1681} (( segid " " and resid 1352 and name HB3 )) (( segid " " and resid 1353 and name H )) ASSI { 1683} (( segid " " and resid 1352 and name HB2 )) (( segid " " and resid 1352 and name H )) 2.700 0.900 0.900 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.28519E-02 ppm1 2.316 ppm2 7.855 CV 1 OR { 1683} (( segid " " and resid 1352 and name HB3 )) (( segid " " and resid 1352 and name H )) ASSI { 1684} (( segid " " and resid 1352 and name HB3 )) (( segid " " and resid 1352 and name HA )) 2.700 0.900 0.900 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.32469E-02 ppm1 2.316 ppm2 4.343 CV 1 OR { 1684} (( segid " " and resid 1352 and name HB2 )) (( segid " " and resid 1352 and name HA )) ASSI { 1685} (( segid " " and resid 1352 and name HA )) (( segid " " and resid 1352 and name HG2 )) 3.200 1.300 1.300 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 4.344 ppm2 2.797 CV 1 ASSI { 1686} (( segid " " and resid 1352 and name HA )) (( segid " " and resid 1352 and name HG3 )) 3.600 1.600 1.600 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 4.345 ppm2 2.689 CV 1 ASSI { 1687} (( segid " " and resid 1352 and name HA )) (( segid " " and resid 1352 and name HB2 )) 2.500 0.800 0.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.68485E-02 ppm1 4.343 ppm2 2.333 CV 1 ASSI { 1688} (( segid " " and resid 1352 and name HA )) ( segid " " and resid 1351 and name HG2%) 3.500 1.500 1.500 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.79010E-03 ppm1 4.344 ppm2 1.287 CV 1 ASSI { 1691} (( segid " " and resid 1353 and name HB2 )) (( segid " " and resid 1354 and name H )) 3.800 1.800 1.800 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.51234E-03 ppm1 3.067 ppm2 7.761 CV 1 ASSI { 1696} (( segid " " and resid 1353 and name HB3 )) (( segid " " and resid 1353 and name HA )) 2.900 1.000 1.000 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 3.018 ppm2 4.551 CV 1 ASSI { 1697} (( segid " " and resid 1353 and name HB2 )) (( segid " " and resid 1350 and name HA )) 3.300 1.400 1.400 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.93211E-03 ppm1 3.070 ppm2 3.817 CV 1 ASSI { 1698} (( segid " " and resid 1353 and name HB3 )) (( segid " " and resid 1350 and name HA )) 3.300 1.400 1.400 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.82406E-03 ppm1 3.018 ppm2 3.816 CV 1 ASSI { 1699} (( segid " " and resid 1353 and name HA )) (( segid " " and resid 1353 and name HB2 )) 2.600 0.800 0.800 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.46605E-02 ppm1 4.552 ppm2 3.057 CV 1 ASSI { 1701} (( segid " " and resid 1353 and name HB3 )) ( segid " " and resid 1288 and name HE% ) 3.800 1.800 1.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.41667E-03 ppm1 3.015 ppm2 1.822 CV 1 ASSI { 1705} (( segid " " and resid 1354 and name HA )) (( segid " " and resid 1354 and name H )) 2.700 0.900 0.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.29228E-02 ppm1 4.442 ppm2 7.761 CV 1 ASSI { 1706} (( segid " " and resid 1354 and name HA )) (( segid " " and resid 1355 and name H )) 2.500 0.800 0.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.41111E-02 ppm1 4.442 ppm2 8.149 CV 1 ASSI { 1708} ( segid " " and resid 1354 and name HG2%) (( segid " " and resid 1354 and name H )) 2.800 1.000 1.000 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.25741E-02 ppm1 1.259 ppm2 7.761 CV 1 ASSI { 1709} (( segid " " and resid 1354 and name HA )) (( segid " " and resid 1239 and name HE21)) 3.300 1.300 1.300 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 4.445 ppm2 7.142 CV 1 ASSI { 1711} (( segid " " and resid 1354 and name HA )) ( segid " " and resid 1354 and name HG2%) 2.700 0.900 0.900 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.40401E-02 ppm1 4.442 ppm2 1.259 CV 1 ASSI { 1716} (( segid " " and resid 1346 and name HG12)) (( segid " " and resid 1346 and name HB )) 3.500 1.500 1.500 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.84261E-03 ppm1 0.451 ppm2 2.030 CV 1 ASSI { 1718} (( segid " " and resid 1346 and name HB )) (( segid " " and resid 1346 and name HG13)) 3.000 1.100 1.100 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.94443E-03 ppm1 2.026 ppm2 1.859 CV 1 ASSI { 1720} (( segid " " and resid 1346 and name HG13)) (( segid " " and resid 1346 and name HG12)) 1.900 0.400 0.400 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.45555E-02 ppm1 1.863 ppm2 0.457 CV 1 ASSI { 1721} (( segid " " and resid 1308 and name HA )) (( segid " " and resid 1309 and name H )) 3.600 1.600 1.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.55247E-03 ppm1 3.998 ppm2 8.853 CV 1 ASSI { 1722} (( segid " " and resid 1308 and name HA )) (( segid " " and resid 1311 and name H )) 3.000 1.100 1.100 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 3.999 ppm2 8.775 CV 1 ASSI { 1723} (( segid " " and resid 1308 and name HA )) (( segid " " and resid 1308 and name H )) 2.700 0.900 0.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.21296E-02 ppm1 3.999 ppm2 8.582 CV 1 ASSI { 1726} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1309 and name H )) 3.100 1.200 1.200 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.97531E-03 ppm1 1.061 ppm2 8.866 CV 1 ASSI { 1727} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1308 and name H )) 2.500 0.800 0.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.22901E-02 ppm1 1.061 ppm2 8.581 CV 1 ASSI { 1730} (( segid " " and resid 1308 and name HA )) ( segid " " and resid 1308 and name HG2%) 3.100 1.200 1.200 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.31018E-02 ppm1 3.998 ppm2 1.072 CV 1 OR { 1730} (( segid " " and resid 1308 and name HA )) (( segid " " and resid 1308 and name HG13)) ASSI { 1731} (( segid " " and resid 1308 and name HG12)) (( segid " " and resid 1308 and name HG13)) 1.900 0.400 0.400 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.46851E-02 ppm1 2.067 ppm2 1.079 CV 1 ASSI { 1732} (( segid " " and resid 1308 and name HG12)) ( segid " " and resid 1342 and name HG1%) 2.600 0.900 0.900 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 2.064 ppm2 0.988 CV 1 ASSI { 1733} (( segid " " and resid 1308 and name HA )) (( segid " " and resid 1308 and name HB )) 2.500 0.800 0.800 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.32222E-02 ppm1 3.998 ppm2 2.079 CV 1 ASSI { 1734} (( segid " " and resid 1308 and name HG13)) (( segid " " and resid 1308 and name HB )) 2.300 0.600 0.600 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.30000E-02 ppm1 1.076 ppm2 2.075 CV 1 ASSI { 1735} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1349 and name HB2 )) 2.500 2.500 3.500 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.30710E-02 ppm1 1.062 ppm2 1.751 CV 1 ASSI { 1736} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1308 and name HB )) 1.900 0.500 0.500 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.10728E-01 ppm1 1.062 ppm2 2.077 CV 1 ASSI { 1737} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1349 and name HB3 )) 3.200 1.300 1.300 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.23889E-02 ppm1 1.061 ppm2 2.305 CV 1 ASSI { 1738} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1304 and name HB3 )) 3.400 3.400 2.600 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 1.062 ppm2 2.776 CV 1 ASSI { 1739} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1346 and name HA )) 2.700 0.900 0.900 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.43919E-02 ppm1 1.061 ppm2 3.637 CV 1 ASSI { 1740} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1305 and name HA )) 2.400 0.700 0.700 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.33827E-02 ppm1 1.062 ppm2 4.189 CV 1 ASSI { 1742} (( segid " " and resid 1308 and name HB )) (( segid " " and resid 1305 and name HA )) 3.400 1.400 1.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.19382E-02 ppm1 2.088 ppm2 4.186 CV 1 ASSI { 1743} (( segid " " and resid 1308 and name HG13)) (( segid " " and resid 1308 and name HA )) 3.500 1.500 1.500 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.17747E-02 ppm1 1.077 ppm2 4.010 CV 1 ASSI { 1744} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1349 and name H )) 3.700 1.700 1.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.90431E-03 ppm1 1.063 ppm2 7.598 CV 1 ASSI { 1745} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1281 and name HZ )) 2.700 0.900 0.900 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.41327E-02 ppm1 1.062 ppm2 7.052 CV 1 ASSI { 1746} ( segid " " and resid 1308 and name HG2%) ( segid " " and resid 1281 and name HE% ) 2.400 0.700 0.700 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.33827E-02 ppm1 1.062 ppm2 6.994 CV 1 ASSI { 1747} ( segid " " and resid 1308 and name HG2%) ( segid " " and resid 1281 and name HD% ) 4.200 2.200 1.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.62652E-03 ppm1 1.061 ppm2 6.659 CV 1 ASSI { 1748} (( segid " " and resid 1308 and name HG13)) (( segid " " and resid 1308 and name H )) 4.200 2.200 1.800 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.88582E-03 ppm1 1.079 ppm2 8.581 CV 1 ASSI { 1749} (( segid " " and resid 1308 and name HG12)) (( segid " " and resid 1308 and name H )) 3.600 1.600 1.600 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 2.068 ppm2 8.583 CV 1 ASSI { 1752} (( segid " " and resid 1216 and name HA )) (( segid " " and resid 1216 and name H )) 2.700 0.900 0.900 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.27129E-02 ppm1 3.782 ppm2 8.120 CV 1 ASSI { 1755} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1217 and name H )) 3.300 1.300 1.300 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.20895E-02 ppm1 0.264 ppm2 8.267 CV 1 ASSI { 1756} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1216 and name H )) 3.300 1.400 1.400 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.39413E-02 ppm1 0.263 ppm2 8.112 CV 1 ASSI { 1757} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1217 and name H )) 3.500 1.500 1.500 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.19321E-02 ppm1 0.795 ppm2 8.271 CV 1 ASSI { 1758} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1216 and name H )) 2.200 0.600 0.600 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.71730E-02 ppm1 0.792 ppm2 8.120 CV 1 ASSI { 1759} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1312 and name H )) 4.000 2.000 2.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.60495E-03 ppm1 0.262 ppm2 8.761 CV 1 ASSI { 1760} ( segid " " and resid 1216 and name HG1%) ( segid " " and resid 1278 and name HE% ) 2.700 0.900 0.900 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.25648E-02 ppm1 0.263 ppm2 7.368 CV 1 ASSI { 1761} ( segid " " and resid 1216 and name HG1%) ( segid " " and resid 1278 and name HD% ) 3.000 1.100 1.100 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 0.263 ppm2 7.132 CV 1 ASSI { 1762} (( segid " " and resid 1216 and name HA )) ( segid " " and resid 1278 and name HE% ) 2.800 1.000 1.000 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.17191E-02 ppm1 3.782 ppm2 7.363 CV 1 ASSI { 1763} (( segid " " and resid 1216 and name HA )) ( segid " " and resid 1278 and name HD% ) 2.700 0.900 0.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.23456E-02 ppm1 3.782 ppm2 7.135 CV 1 ASSI { 1764} ( segid " " and resid 1216 and name HG2%) ( segid " " and resid 1278 and name HE% ) 3.600 1.600 1.600 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 0.793 ppm2 7.365 CV 1 ASSI { 1766} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1313 and name HB3 )) 3.100 1.200 1.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.35370E-02 ppm1 0.263 ppm2 4.004 CV 1 ASSI { 1767} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1312 and name HA )) 3.600 1.600 1.600 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.95676E-03 ppm1 0.265 ppm2 4.226 CV 1 ASSI { 1768} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1309 and name HB2 )) 3.400 1.500 1.500 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 0.264 ppm2 4.457 CV 1 ASSI { 1769} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1216 and name HA )) 2.400 0.700 0.700 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.51265E-02 ppm1 0.263 ppm2 3.788 CV 1 ASSI { 1770} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1216 and name HA )) 2.300 0.700 0.700 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.66234E-02 ppm1 0.792 ppm2 3.784 CV 1 ASSI { 1771} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1275 and name HA3 )) 2.800 1.000 1.000 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.45432E-02 ppm1 0.813 ppm2 4.099 CV 1 ASSI { 1772} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1316 and name HA )) 2.100 0.500 0.500 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.10518E-01 ppm1 0.817 ppm2 3.992 CV 1 ASSI { 1773} (( segid " " and resid 1216 and name HA )) (( segid " " and resid 1215 and name HA )) 3.800 1.800 1.800 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.54629E-03 ppm1 3.783 ppm2 4.256 CV 1 ASSI { 1774} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1278 and name HB3 )) 3.800 1.800 1.800 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.62344E-03 ppm1 0.264 ppm2 3.123 CV 1 ASSI { 1775} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1278 and name HB3 )) 2.800 1.000 1.000 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.18735E-02 ppm1 0.791 ppm2 3.129 CV 1 ASSI { 1776} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1278 and name HB2 )) 4.100 2.100 1.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.41358E-03 ppm1 0.261 ppm2 2.629 CV 1 ASSI { 1777} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1278 and name HB2 )) 3.200 1.300 1.300 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.13488E-02 ppm1 0.792 ppm2 2.632 CV 1 ASSI { 1778} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1216 and name HB )) 2.300 0.600 0.600 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.71386E-02 ppm1 0.263 ppm2 1.942 CV 1 ASSI { 1779} (( segid " " and resid 1216 and name HA )) (( segid " " and resid 1216 and name HB )) 3.000 1.200 1.200 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 3.782 ppm2 1.945 CV 1 ASSI { 1781} (( segid " " and resid 1216 and name HB )) ( segid " " and resid 1216 and name HG2%) 2.700 0.900 0.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.23395E-02 ppm1 1.943 ppm2 0.794 CV 1 ASSI { 1782} ( segid " " and resid 1216 and name HG1%) ( segid " " and resid 1216 and name HG2%) 2.300 0.600 0.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.83238E-02 ppm1 0.263 ppm2 0.794 CV 1 ASSI { 1787} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1239 and name HE22)) 3.900 1.900 1.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 2.067 ppm2 6.861 CV 1 ASSI { 1788} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1239 and name HE22)) 4.000 2.000 2.000 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 2.025 ppm2 6.858 CV 1 ASSI { 1789} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1239 and name HE21)) 2.900 1.100 1.100 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.16852E-02 ppm1 2.066 ppm2 7.141 CV 1 ASSI { 1790} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1239 and name HE21)) 2.800 1.000 1.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.18735E-02 ppm1 2.025 ppm2 7.142 CV 1 ASSI { 1791} (( segid " " and resid 1239 and name HB3 )) (( segid " " and resid 1239 and name HE21)) 4.200 2.200 1.800 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.39197E-03 ppm1 1.946 ppm2 7.142 CV 1 ASSI { 1792} (( segid " " and resid 1239 and name HB2 )) (( segid " " and resid 1239 and name HE21)) 4.000 2.000 2.000 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.35802E-03 ppm1 1.708 ppm2 7.149 CV 1 ASSI { 1793} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1240 and name H )) 3.900 1.900 1.900 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.57098E-03 ppm1 2.070 ppm2 7.933 CV 1 ASSI { 1794} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1240 and name H )) 4.300 2.300 1.700 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.65740E-03 ppm1 2.026 ppm2 7.927 CV 1 ASSI { 1795} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1239 and name H )) 4.000 2.000 2.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 2.064 ppm2 8.560 CV 1 ASSI { 1796} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1239 and name H )) 3.900 1.900 1.900 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 2.027 ppm2 8.563 CV 1 ASSI { 1797} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1243 and name HD22)) 3.400 3.400 2.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.54321E-03 ppm1 2.066 ppm2 6.650 CV 1 ASSI { 1798} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1243 and name HD22)) 3.800 1.800 1.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.49074E-03 ppm1 2.025 ppm2 6.650 CV 1 ASSI { 1799} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1236 and name HA )) 4.000 2.000 2.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.95368E-03 ppm1 2.066 ppm2 3.992 CV 1 ASSI { 1800} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1236 and name HA )) 4.000 2.000 2.000 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 2.027 ppm2 3.990 CV 1 ASSI { 1801} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1239 and name HA )) 3.300 1.300 1.300 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.19074E-02 ppm1 2.067 ppm2 3.774 CV 1 ASSI { 1802} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1239 and name HA )) 2.800 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.21450E-02 ppm1 2.025 ppm2 3.773 CV 1 ASSI { 1803} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1240 and name HA )) 4.100 2.100 1.900 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.32098E-03 ppm1 2.052 ppm2 4.256 CV 1 OR { 1803} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1240 and name HA )) ASSI { 1804} (( segid " " and resid 1239 and name HG2 )) (( segid " " and resid 1239 and name HB2 )) 3.100 1.200 1.200 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 2.067 ppm2 1.713 CV 1 ASSI { 1805} (( segid " " and resid 1239 and name HG3 )) (( segid " " and resid 1239 and name HB2 )) 2.700 0.900 0.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 2.026 ppm2 1.712 CV 1 ASSI { 1806} (( segid " " and resid 1316 and name HA )) (( segid " " and resid 1319 and name H )) 2.800 1.000 1.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.19074E-02 ppm1 3.993 ppm2 8.248 CV 1 ASSI { 1808} (( segid " " and resid 1316 and name HB3 )) (( segid " " and resid 1317 and name H )) 4.200 2.200 1.800 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.42592E-03 ppm1 1.286 ppm2 8.629 CV 1 ASSI { 1810} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1317 and name H )) 3.100 3.100 2.900 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 0.817 ppm2 8.620 CV 1 ASSI { 1811} (( segid " " and resid 1213 and name HG )) (( segid " " and resid 1213 and name H )) 2.600 0.900 0.900 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.17562E-02 ppm1 1.596 ppm2 8.286 CV 1 ASSI { 1814} (( segid " " and resid 1316 and name HB2 )) (( segid " " and resid 1316 and name H )) 2.700 0.900 0.900 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.16204E-02 ppm1 2.013 ppm2 7.520 CV 1 ASSI { 1815} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1316 and name H )) 3.300 1.300 1.300 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 0.817 ppm2 7.518 CV 1 ASSI { 1818} (( segid " " and resid 1316 and name HB2 )) (( segid " " and resid 1316 and name HA )) 3.000 1.100 1.100 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.20864E-02 ppm1 2.012 ppm2 3.988 CV 1 ASSI { 1819} (( segid " " and resid 1241 and name HG3 )) (( segid " " and resid 1241 and name HD2 )) 2.600 0.800 0.800 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.40185E-02 ppm1 1.588 ppm2 3.200 CV 1 OR { 1819} (( segid " " and resid 1241 and name HG3 )) (( segid " " and resid 1241 and name HD3 )) ASSI { 1820} (( segid " " and resid 1322 and name HG )) (( segid " " and resid 1322 and name HB3 )) 2.500 0.800 0.800 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.28364E-02 ppm1 1.622 ppm2 1.903 CV 1 ASSI { 1821} (( segid " " and resid 1241 and name HG3 )) (( segid " " and resid 1241 and name HG2 )) 1.800 0.400 0.400 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.10873E-01 ppm1 1.595 ppm2 1.815 CV 1 OR { 1821} (( segid " " and resid 1241 and name HG3 )) (( segid " " and resid 1241 and name HB2 )) ASSI { 1823} (( segid " " and resid 1316 and name HB3 )) (( segid " " and resid 1316 and name HB2 )) 2.000 0.500 0.500 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.39074E-02 ppm1 1.284 ppm2 2.012 CV 1 ASSI { 1826} (( segid " " and resid 1316 and name HB3 )) (( segid " " and resid 1316 and name HG )) 3.300 1.400 1.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 1.284 ppm2 1.593 CV 1 ASSI { 1827} (( segid " " and resid 1316 and name HA )) (( segid " " and resid 1316 and name HG )) 3.100 1.200 1.200 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 3.991 ppm2 1.598 CV 1 ASSI { 1829} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1316 and name HB3 )) 2.400 0.700 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.43024E-02 ppm1 0.818 ppm2 1.290 CV 1 ASSI { 1830} (( segid " " and resid 1213 and name HG )) (( segid " " and resid 1316 and name HB3 )) 3.600 1.700 1.700 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 1.595 ppm2 1.274 CV 1 ASSI { 1832} (( segid " " and resid 1293 and name HD3 )) (( segid " " and resid 1294 and name H )) 4.200 2.200 1.800 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.99997E-03 ppm1 3.604 ppm2 7.361 CV 1 ASSI { 1835} (( segid " " and resid 1322 and name HB2 )) (( segid " " and resid 1322 and name HB3 )) 1.900 0.400 0.400 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.75678E-02 ppm1 1.368 ppm2 1.917 CV 1 ASSI { 1839} (( segid " " and resid 1305 and name HB2 )) (( segid " " and resid 1305 and name HA )) 3.200 3.200 2.800 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.16389E-02 ppm1 1.375 ppm2 4.173 CV 1 ASSI { 1843} (( segid " " and resid 1305 and name HA )) (( segid " " and resid 1305 and name H )) 2.700 0.900 0.900 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.22809E-02 ppm1 4.185 ppm2 8.876 CV 1 ASSI { 1845} (( segid " " and resid 1296 and name HA )) (( segid " " and resid 1296 and name HB3 )) 2.700 0.900 0.900 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.37562E-02 ppm1 4.116 ppm2 2.079 CV 1 ASSI { 1846} (( segid " " and resid 1296 and name HA )) (( segid " " and resid 1296 and name HB2 )) 2.600 0.800 0.800 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.42531E-02 ppm1 4.117 ppm2 1.982 CV 1 ASSI { 1847} (( segid " " and resid 1296 and name HA )) ( segid " " and resid 1299 and name HB% ) 2.900 1.100 1.100 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.22284E-02 ppm1 4.115 ppm2 1.560 CV 1 ASSI { 1848} (( segid " " and resid 1296 and name HA )) (( segid " " and resid 1299 and name H )) 3.000 1.200 1.200 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 4.117 ppm2 8.189 CV 1 ASSI { 1849} (( segid " " and resid 1296 and name HA )) (( segid " " and resid 1297 and name H )) 3.200 1.300 1.300 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.13518E-02 ppm1 4.116 ppm2 7.846 CV 1 ASSI { 1850} (( segid " " and resid 1296 and name HA )) (( segid " " and resid 1296 and name H )) 2.900 1.000 1.000 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.21389E-02 ppm1 4.116 ppm2 8.963 CV 1 ASSI { 1852} (( segid " " and resid 1296 and name HB2 )) (( segid " " and resid 1296 and name H )) 2.900 1.100 1.100 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.15308E-02 ppm1 1.976 ppm2 8.963 CV 1 ASSI { 1853} (( segid " " and resid 1206 and name HB2 )) (( segid " " and resid 1206 and name H )) 3.400 1.400 1.400 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.89506E-03 ppm1 2.089 ppm2 7.967 CV 1 ASSI { 1854} (( segid " " and resid 1206 and name HB3 )) (( segid " " and resid 1206 and name H )) 3.600 1.600 1.600 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 2.031 ppm2 7.969 CV 1 ASSI { 1856} (( segid " " and resid 1287 and name HB3 )) (( segid " " and resid 1287 and name HA )) 3.000 1.200 1.200 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.25926E-02 ppm1 2.037 ppm2 4.154 CV 1 ASSI { 1859} (( segid " " and resid 1291 and name HB2 )) (( segid " " and resid 1291 and name HB3 )) 2.200 0.600 0.600 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.44043E-02 ppm1 2.046 ppm2 2.597 CV 1 ASSI { 1860} (( segid " " and resid 1255 and name HB2 )) (( segid " " and resid 1255 and name HG2 )) 2.700 0.900 0.900 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.35401E-02 ppm1 2.138 ppm2 2.559 CV 1 OR { 1860} (( segid " " and resid 1255 and name HB3 )) (( segid " " and resid 1255 and name HG2 )) ASSI { 1861} (( segid " " and resid 1296 and name HB3 )) (( segid " " and resid 1296 and name HG3 )) 2.900 1.100 1.100 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.26821E-02 ppm1 2.080 ppm2 2.459 CV 1 ASSI { 1863} (( segid " " and resid 1206 and name HB3 )) (( segid " " and resid 1206 and name HG3 )) 2.400 0.700 0.700 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.71514E-02 ppm1 2.034 ppm2 2.333 CV 1 OR { 1863} (( segid " " and resid 1206 and name HB3 )) (( segid " " and resid 1206 and name HG2 )) ASSI { 1864} (( segid " " and resid 1296 and name HB2 )) (( segid " " and resid 1296 and name HG2 )) 2.800 1.000 1.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.35926E-02 ppm1 1.977 ppm2 2.287 CV 1 ASSI { 1866} (( segid " " and resid 1309 and name HA )) (( segid " " and resid 1310 and name H )) 2.800 1.000 1.000 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.19352E-02 ppm1 4.314 ppm2 8.275 CV 1 ASSI { 1867} (( segid " " and resid 1309 and name HA )) (( segid " " and resid 1313 and name H )) 3.200 1.300 1.300 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 4.319 ppm2 8.093 CV 1 ASSI { 1868} (( segid " " and resid 1345 and name HB2 )) (( segid " " and resid 1345 and name H )) 2.800 1.000 1.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.17592E-02 ppm1 4.318 ppm2 7.935 CV 1 OR { 1868} (( segid " " and resid 1345 and name HB3 )) (( segid " " and resid 1345 and name H )) ASSI { 1869} (( segid " " and resid 1309 and name HA )) (( segid " " and resid 1278 and name HZ )) 2.900 1.100 1.100 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.25154E-02 ppm1 4.318 ppm2 7.420 CV 1 ASSI { 1870} (( segid " " and resid 1309 and name HA )) (( segid " " and resid 1309 and name HB2 )) 2.500 0.800 0.800 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.40339E-02 ppm1 4.313 ppm2 4.458 CV 1 ASSI { 1871} (( segid " " and resid 1345 and name HB3 )) (( segid " " and resid 1345 and name HA )) 2.200 0.600 0.600 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.85337E-02 ppm1 4.318 ppm2 4.035 CV 1 OR { 1871} (( segid " " and resid 1345 and name HB2 )) (( segid " " and resid 1345 and name HA )) ASSI { 1872} (( segid " " and resid 1345 and name HB3 )) (( segid " " and resid 1348 and name HB2 )) 3.200 3.200 2.800 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.17808E-02 ppm1 4.320 ppm2 2.251 CV 1 ASSI { 1873} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1243 and name H )) 3.800 1.900 1.900 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.81482E-03 ppm1 0.828 ppm2 8.429 CV 1 ASSI { 1874} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1243 and name H )) 3.600 1.600 1.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.12438E-02 ppm1 0.570 ppm2 8.442 CV 1 ASSI { 1875} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1242 and name H )) 3.800 1.800 1.800 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 0.573 ppm2 8.243 CV 1 ASSI { 1876} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1285 and name H )) 2.900 1.100 1.100 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.24197E-02 ppm1 0.571 ppm2 8.884 CV 1 ASSI { 1877} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1286 and name H )) 3.900 1.900 1.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.77469E-03 ppm1 0.572 ppm2 8.576 CV 1 ASSI { 1878} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1285 and name H )) 4.100 2.100 1.900 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.52777E-03 ppm1 0.829 ppm2 8.885 CV 1 ASSI { 1881} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1260 and name H )) 3.200 1.200 1.200 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 0.884 ppm2 7.762 CV 1 ASSI { 1883} ( segid " " and resid 1242 and name HD2%) ( segid " " and resid 1281 and name HD% ) 4.200 2.200 1.800 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.46605E-03 ppm1 0.829 ppm2 6.650 CV 1 ASSI { 1884} ( segid " " and resid 1242 and name HD1%) ( segid " " and resid 1281 and name HD% ) 2.900 1.000 1.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 0.571 ppm2 6.656 CV 1 ASSI { 1885} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1243 and name HA )) 3.600 1.600 1.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.94752E-03 ppm1 0.572 ppm2 4.355 CV 1 ASSI { 1886} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1242 and name HA )) 2.100 0.600 0.600 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.93455E-02 ppm1 0.571 ppm2 3.939 CV 1 ASSI { 1888} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1285 and name HA2 )) 2.400 0.700 0.700 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.42963E-02 ppm1 0.571 ppm2 3.373 CV 1 ASSI { 1889} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1285 and name HA3 )) 3.000 1.100 1.100 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.29660E-02 ppm1 0.571 ppm2 3.155 CV 1 ASSI { 1890} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1288 and name HG3 )) 3.300 1.400 1.400 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.18950E-02 ppm1 0.828 ppm2 2.650 CV 1 ASSI { 1891} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1288 and name HG3 )) 3.900 3.900 2.100 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 0.573 ppm2 2.647 CV 1 ASSI { 1893} ( segid " " and resid 1242 and name HD2%) ( segid " " and resid 1242 and name HD1%) 2.500 0.800 0.800 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.46419E-02 ppm1 0.830 ppm2 0.571 CV 1 ASSI { 1896} ( segid " " and resid 1242 and name HD1%) ( segid " " and resid 1349 and name HD1%) 2.400 0.700 0.700 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.41204E-02 ppm1 0.572 ppm2 1.054 CV 1 ASSI { 1898} (( segid " " and resid 1205 and name HA )) (( segid " " and resid 1205 and name H )) 3.000 1.100 1.100 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.17191E-02 ppm1 4.139 ppm2 8.016 CV 1 ASSI { 1901} (( segid " " and resid 1205 and name HA )) ( segid " " and resid 1205 and name HG2%) 2.800 1.000 1.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.29815E-02 ppm1 4.139 ppm2 1.228 CV 1 ASSI { 1902} ( segid " " and resid 1205 and name HG2%) (( segid " " and resid 1205 and name H )) 3.400 1.500 1.500 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.18487E-02 ppm1 1.227 ppm2 8.018 CV 1 ASSI { 1904} ( segid " " and resid 1205 and name HG2%) (( segid " " and resid 1205 and name HB )) 2.200 0.600 0.600 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.10028E-01 ppm1 1.226 ppm2 4.208 CV 1 ASSI { 1909} (( segid " " and resid 1209 and name HA )) (( segid " " and resid 1209 and name H )) 2.600 0.900 0.900 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.28086E-02 ppm1 3.743 ppm2 8.251 CV 1 ASSI { 1910} (( segid " " and resid 1209 and name HA )) (( segid " " and resid 1212 and name H )) 3.100 1.200 1.200 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 3.743 ppm2 7.829 CV 1 ASSI { 1911} (( segid " " and resid 1209 and name HB )) (( segid " " and resid 1209 and name H )) 2.900 1.000 1.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.45987E-02 ppm1 2.098 ppm2 8.252 CV 1 ASSI { 1912} (( segid " " and resid 1209 and name HA )) (( segid " " and resid 1271 and name HB3 )) 3.100 1.200 1.200 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 3.742 ppm2 4.075 CV 1 ASSI { 1914} (( segid " " and resid 1209 and name HB )) (( segid " " and resid 1209 and name HA )) 2.800 0.900 0.900 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 2.098 ppm2 3.745 CV 1 ASSI { 1921} ( segid " " and resid 1209 and name HG1%) (( segid " " and resid 1209 and name H )) 2.200 0.600 0.600 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.73393E-02 ppm1 0.998 ppm2 8.245 CV 1 ASSI { 1922} (( segid " " and resid 1220 and name HB3 )) (( segid " " and resid 1220 and name HB2 )) 1.900 0.500 0.500 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.98119E-02 ppm1 4.054 ppm2 4.227 CV 1 ASSI { 1924} (( segid " " and resid 1220 and name HB3 )) ( segid " " and resid 1282 and name HD2%) 3.900 1.900 1.900 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.90431E-03 ppm1 4.056 ppm2 0.876 CV 1 ASSI { 1925} (( segid " " and resid 1240 and name HB2 )) (( segid " " and resid 1240 and name H )) 2.300 0.700 0.700 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.76265E-02 ppm1 3.993 ppm2 7.930 CV 1 OR { 1925} (( segid " " and resid 1240 and name HB3 )) (( segid " " and resid 1240 and name H )) ASSI { 1926} (( segid " " and resid 1231 and name HA )) (( segid " " and resid 1231 and name HB3 )) 2.500 0.800 0.800 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.62251E-02 ppm1 4.587 ppm2 3.893 CV 1 ASSI { 1927} (( segid " " and resid 1231 and name HA )) (( segid " " and resid 1231 and name H )) 2.900 1.000 1.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.22562E-02 ppm1 4.588 ppm2 8.600 CV 1 ASSI { 1928} (( segid " " and resid 1231 and name HA )) (( segid " " and resid 1232 and name H )) 2.400 0.700 0.700 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.64042E-02 ppm1 4.588 ppm2 9.036 CV 1 ASSI { 1929} (( segid " " and resid 1237 and name HA )) (( segid " " and resid 1237 and name HG2 )) 2.700 0.900 0.900 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.44136E-02 ppm1 4.013 ppm2 2.283 CV 1 OR { 1929} (( segid " " and resid 1237 and name HA )) (( segid " " and resid 1237 and name HG3 )) ASSI { 1930} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1249 and name H )) 4.400 2.400 1.600 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 0.196 ppm2 8.141 CV 1 ASSI { 1933} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1274 and name HZ )) 3.800 1.800 1.800 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.54012E-03 ppm1 0.194 ppm2 7.477 CV 1 ASSI { 1934} ( segid " " and resid 1249 and name HD2%) ( segid " " and resid 1278 and name HE% ) 3.900 1.900 1.900 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.50000E-03 ppm1 0.198 ppm2 7.363 CV 1 ASSI { 1935} ( segid " " and resid 1249 and name HD2%) ( segid " " and resid 1278 and name HD% ) 2.700 0.900 0.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.24321E-02 ppm1 0.196 ppm2 7.131 CV 1 ASSI { 1936} ( segid " " and resid 1249 and name HD2%) ( segid " " and resid 1281 and name HE% ) 3.900 1.900 1.900 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.66665E-03 ppm1 0.196 ppm2 6.981 CV 1 ASSI { 1937} ( segid " " and resid 1249 and name HD2%) ( segid " " and resid 1281 and name HD% ) 3.000 1.100 1.100 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.17315E-02 ppm1 0.196 ppm2 6.658 CV 1 ASSI { 1938} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1278 and name HA )) 2.800 1.000 1.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.23889E-02 ppm1 0.196 ppm2 3.884 CV 1 ASSI { 1939} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1249 and name HA )) 3.900 1.900 1.900 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.13981E-02 ppm1 0.197 ppm2 4.122 CV 1 ASSI { 1941} (( segid " " and resid 1249 and name HB2 )) (( segid " " and resid 1246 and name HA )) 3.800 1.800 1.800 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.63891E-03 ppm1 0.996 ppm2 4.017 CV 1 ASSI { 1942} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1281 and name HB2 )) 3.000 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 0.197 ppm2 3.132 CV 1 ASSI { 1943} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1281 and name HB3 )) 2.700 0.900 0.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.14784E-02 ppm1 0.195 ppm2 2.836 CV 1 ASSI { 1947} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1249 and name HG )) 2.300 0.700 0.700 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.51883E-02 ppm1 0.196 ppm2 1.366 CV 1 ASSI { 1948} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1249 and name HB3 )) 2.500 0.800 0.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.32932E-02 ppm1 0.196 ppm2 1.662 CV 1 ASSI { 1949} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1346 and name HG13)) 4.100 2.100 1.900 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.68520E-03 ppm1 0.196 ppm2 1.864 CV 1 ASSI { 1950} ( segid " " and resid 1249 and name HD2%) (( segid " " and resid 1249 and name HB2 )) 2.500 0.800 0.800 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.46265E-02 ppm1 0.196 ppm2 0.990 CV 1 ASSI { 1955} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1278 and name H )) 3.000 1.100 1.100 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 0.381 ppm2 9.029 CV 1 ASSI { 1957} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1277 and name H )) 3.900 1.900 1.900 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.75928E-03 ppm1 0.381 ppm2 8.719 CV 1 ASSI { 1958} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1249 and name H )) 3.900 1.900 1.900 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.16018E-02 ppm1 0.381 ppm2 8.143 CV 1 ASSI { 1959} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1281 and name H )) 4.000 2.000 2.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.63891E-03 ppm1 0.384 ppm2 7.998 CV 1 ASSI { 1960} ( segid " " and resid 1249 and name HD1%) ( segid " " and resid 1274 and name HD% ) 3.000 1.100 1.100 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 0.381 ppm2 6.923 CV 1 ASSI { 1962} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1279 and name H )) 4.500 2.500 1.500 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.60187E-03 ppm1 0.378 ppm2 7.645 CV 1 ASSI { 1963} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1274 and name HZ )) 3.100 1.200 1.200 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.13488E-02 ppm1 0.380 ppm2 7.482 CV 1 ASSI { 1964} ( segid " " and resid 1249 and name HD1%) ( segid " " and resid 1281 and name HD% ) 4.200 2.200 1.800 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.71293E-03 ppm1 0.381 ppm2 6.654 CV 1 ASSI { 1965} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1278 and name HA )) 2.300 0.600 0.600 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.60373E-02 ppm1 0.381 ppm2 3.886 CV 1 ASSI { 1966} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1249 and name HA )) 2.100 0.600 0.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.83116E-02 ppm1 0.381 ppm2 4.123 CV 1 ASSI { 1967} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1277 and name HA )) 3.900 1.900 1.900 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 0.383 ppm2 4.473 CV 1 ASSI { 1968} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1278 and name HB3 )) 3.700 1.700 1.700 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 0.381 ppm2 3.127 CV 1 ASSI { 1969} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1281 and name HB3 )) 3.600 1.600 1.600 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.10710E-02 ppm1 0.381 ppm2 2.840 CV 1 ASSI { 1970} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1278 and name HB2 )) 2.700 0.900 0.900 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.23024E-02 ppm1 0.380 ppm2 2.628 CV 1 ASSI { 1971} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1277 and name HB3 )) 2.700 0.900 0.900 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.37654E-02 ppm1 0.381 ppm2 2.363 CV 1 OR { 1971} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1277 and name HB2 )) ASSI { 1972} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1249 and name HB3 )) 3.200 1.300 1.300 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.29969E-02 ppm1 0.380 ppm2 1.662 CV 1 ASSI { 1974} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1249 and name HB2 )) 2.400 0.700 0.700 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.47530E-02 ppm1 0.381 ppm2 0.995 CV 1 ASSI { 1975} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1249 and name HG )) 2.400 0.700 0.700 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.43209E-02 ppm1 0.381 ppm2 1.365 CV 1 ASSI { 1977} (( segid " " and resid 1249 and name HB2 )) (( segid " " and resid 1249 and name HG )) 3.600 1.600 1.600 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.77161E-03 ppm1 0.998 ppm2 1.363 CV 1 ASSI { 1978} (( segid " " and resid 1249 and name HB2 )) (( segid " " and resid 1277 and name HB3 )) 3.800 1.800 1.800 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.40740E-03 ppm1 0.994 ppm2 2.373 CV 1 OR { 1978} (( segid " " and resid 1249 and name HB2 )) (( segid " " and resid 1277 and name HB2 )) ASSI { 1980} (( segid " " and resid 1224 and name HB2 )) (( segid " " and resid 1224 and name H )) 2.800 1.000 1.000 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.20494E-02 ppm1 2.008 ppm2 7.572 CV 1 ASSI { 1985} (( segid " " and resid 1315 and name HB3 )) (( segid " " and resid 1315 and name HA )) 3.200 1.300 1.300 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.16420E-02 ppm1 2.021 ppm2 3.985 CV 1 ASSI { 1986} (( segid " " and resid 1315 and name HA )) (( segid " " and resid 1338 and name HA )) 4.500 2.500 1.500 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.87960E-03 ppm1 3.993 ppm2 4.216 CV 1 ASSI { 1988} (( segid " " and resid 1224 and name HB2 )) (( segid " " and resid 1224 and name HG )) 2.800 1.000 1.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.20123E-02 ppm1 2.007 ppm2 1.727 CV 1 ASSI { 1989} (( segid " " and resid 1224 and name HB2 )) (( segid " " and resid 1224 and name HB3 )) 2.000 0.500 0.500 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.73858E-02 ppm1 2.007 ppm2 1.574 CV 1 ASSI { 1990} (( segid " " and resid 1315 and name HB2 )) (( segid " " and resid 1315 and name HB3 )) 2.100 0.500 0.500 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.31790E-02 ppm1 1.202 ppm2 2.022 CV 1 ASSI { 1993} (( segid " " and resid 1315 and name HB3 )) (( segid " " and resid 1315 and name HG )) 2.700 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.18981E-02 ppm1 2.020 ppm2 1.061 CV 1 ASSI { 1995} (( segid " " and resid 1224 and name HB2 )) ( segid " " and resid 1224 and name HD1%) 3.000 1.100 1.100 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.19877E-02 ppm1 2.014 ppm2 0.838 CV 1 ASSI { 1996} (( segid " " and resid 1315 and name HB2 )) ( segid " " and resid 1315 and name HD1%) 2.800 1.000 1.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 1.202 ppm2 0.401 CV 1 ASSI { 1997} (( segid " " and resid 1315 and name HA )) ( segid " " and resid 1315 and name HD1%) 3.500 1.500 1.500 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 3.991 ppm2 0.404 CV 1 ASSI { 1999} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1312 and name HA )) 3.900 1.900 1.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.12469E-02 ppm1 0.400 ppm2 4.219 CV 1 ASSI { 2000} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1339 and name HA )) 2.500 0.800 0.800 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.46636E-02 ppm1 0.400 ppm2 3.967 CV 1 ASSI { 2001} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1315 and name H )) 4.100 2.100 1.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 0.400 ppm2 7.924 CV 1 ASSI { 2002} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1342 and name H )) 4.400 2.400 1.600 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.40740E-03 ppm1 0.405 ppm2 7.643 CV 1 ASSI { 2003} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1274 and name HZ )) 3.600 3.600 2.400 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 0.400 ppm2 7.496 CV 1 ASSI { 2004} ( segid " " and resid 1315 and name HD1%) ( segid " " and resid 1274 and name HE% ) 3.600 1.600 1.600 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 0.400 ppm2 7.122 CV 1 ASSI { 2005} ( segid " " and resid 1315 and name HD1%) ( segid " " and resid 1274 and name HD% ) 4.100 2.100 1.900 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.58024E-03 ppm1 0.400 ppm2 6.921 CV 1 ASSI { 2006} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1339 and name H )) 3.400 1.500 1.500 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.59256E-03 ppm1 0.399 ppm2 8.458 CV 1 ASSI { 2007} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1342 and name HB )) 3.900 1.900 1.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 0.398 ppm2 2.434 CV 1 ASSI { 2008} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1315 and name HB3 )) 3.200 1.200 1.200 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.33734E-02 ppm1 0.400 ppm2 2.023 CV 1 ASSI { 2009} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1256 and name HB3 )) 3.300 1.400 1.400 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.81482E-03 ppm1 0.400 ppm2 1.866 CV 1 ASSI { 2010} ( segid " " and resid 1315 and name HD1%) ( segid " " and resid 1315 and name HD2%) 2.300 0.700 0.700 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.69537E-02 ppm1 0.400 ppm2 0.816 CV 1 ASSI { 2012} ( segid " " and resid 1315 and name HD1%) (( segid " " and resid 1315 and name HG )) 2.200 0.600 0.600 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.68950E-02 ppm1 0.400 ppm2 1.064 CV 1 ASSI { 2013} ( segid " " and resid 1315 and name HD1%) ( segid " " and resid 1253 and name HB% ) 3.100 1.200 1.200 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.25648E-02 ppm1 0.401 ppm2 1.594 CV 1 ASSI { 2014} (( segid " " and resid 1317 and name HB3 )) (( segid " " and resid 1318 and name H )) 3.900 1.900 1.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.81482E-03 ppm1 1.474 ppm2 8.071 CV 1 ASSI { 2016} (( segid " " and resid 1317 and name HB3 )) (( segid " " and resid 1317 and name HA )) 2.700 0.900 0.900 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 1.471 ppm2 4.021 CV 1 ASSI { 2018} (( segid " " and resid 1317 and name HB2 )) (( segid " " and resid 1317 and name HB3 )) 1.900 0.400 0.400 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.96293E-02 ppm1 1.880 ppm2 1.470 CV 1 ASSI { 2020} (( segid " " and resid 1348 and name HA )) (( segid " " and resid 1349 and name H )) 3.300 1.400 1.400 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.99689E-03 ppm1 4.105 ppm2 7.597 CV 1 ASSI { 2021} (( segid " " and resid 1322 and name HA )) (( segid " " and resid 1322 and name H )) 2.700 0.900 0.900 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.25802E-02 ppm1 4.061 ppm2 8.060 CV 1 ASSI { 2022} (( segid " " and resid 1322 and name HA )) (( segid " " and resid 1323 and name H )) 3.600 1.600 1.600 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.57098E-03 ppm1 4.060 ppm2 7.975 CV 1 ASSI { 2024} (( segid " " and resid 1322 and name HA )) (( segid " " and resid 1324 and name H )) 4.000 2.000 2.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.43827E-03 ppm1 4.066 ppm2 7.310 CV 1 ASSI { 2025} (( segid " " and resid 1322 and name HA )) (( segid " " and resid 1322 and name HB3 )) 2.900 1.100 1.100 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.26358E-02 ppm1 4.061 ppm2 1.914 CV 1 ASSI { 2026} (( segid " " and resid 1322 and name HA )) (( segid " " and resid 1322 and name HG )) 3.300 1.400 1.400 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 4.061 ppm2 1.628 CV 1 ASSI { 2027} (( segid " " and resid 1322 and name HA )) ( segid " " and resid 1321 and name HB% ) 3.800 1.900 1.900 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.58640E-03 ppm1 4.062 ppm2 1.535 CV 1 ASSI { 2028} (( segid " " and resid 1322 and name HA )) (( segid " " and resid 1322 and name HB2 )) 2.300 0.700 0.700 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.45277E-02 ppm1 4.061 ppm2 1.369 CV 1 ASSI { 2030} (( segid " " and resid 1322 and name HA )) ( segid " " and resid 1331 and name HD1%) 4.300 2.300 1.700 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 4.061 ppm2 0.815 CV 1 ASSI { 2031} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1322 and name HB2 )) 2.200 0.600 0.600 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.75556E-02 ppm1 1.007 ppm2 1.366 CV 1 ASSI { 2033} (( segid " " and resid 1257 and name HA )) (( segid " " and resid 1259 and name H )) 4.100 2.100 1.900 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.34259E-03 ppm1 3.413 ppm2 8.434 CV 1 ASSI { 2034} (( segid " " and resid 1257 and name HA )) (( segid " " and resid 1258 and name H )) 3.400 1.500 1.500 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.93519E-03 ppm1 3.414 ppm2 8.176 CV 1 ASSI { 2035} (( segid " " and resid 1257 and name HA )) (( segid " " and resid 1260 and name H )) 3.300 1.400 1.400 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.87960E-03 ppm1 3.414 ppm2 7.772 CV 1 ASSI { 2036} (( segid " " and resid 1257 and name HA )) (( segid " " and resid 1257 and name H )) 2.700 0.900 0.900 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 3.415 ppm2 7.592 CV 1 ASSI { 2037} (( segid " " and resid 1257 and name HA )) (( segid " " and resid 1258 and name HA )) 3.300 3.300 2.700 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 3.415 ppm2 3.980 CV 1 ASSI { 2038} (( segid " " and resid 1257 and name HA )) (( segid " " and resid 1260 and name HB2 )) 3.300 1.300 1.300 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.12037E-02 ppm1 3.415 ppm2 3.892 CV 1 ASSI { 2039} (( segid " " and resid 1257 and name HA )) (( segid " " and resid 1257 and name HB )) 3.000 1.200 1.200 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 3.413 ppm2 2.286 CV 1 ASSI { 2042} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1332 and name H )) 3.300 1.400 1.400 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.20833E-02 ppm1 1.007 ppm2 8.093 CV 1 ASSI { 2044} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1328 and name H )) 3.000 1.100 1.100 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.17870E-02 ppm1 1.007 ppm2 7.447 CV 1 ASSI { 2045} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1326 and name HA )) 2.100 0.600 0.600 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.70154E-02 ppm1 1.007 ppm2 4.503 CV 1 ASSI { 2046} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1322 and name HA )) 2.100 0.500 0.500 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.91390E-02 ppm1 0.994 ppm2 4.053 CV 1 ASSI { 2047} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1332 and name HA )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.36604E-02 ppm1 1.007 ppm2 3.933 CV 1 ASSI { 2048} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1332 and name HE2 )) 2.800 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 1.007 ppm2 3.001 CV 1 ASSI { 2049} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1331 and name HB2 )) 2.300 0.700 0.700 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.61541E-02 ppm1 1.006 ppm2 1.937 CV 1 ASSI { 2051} (( segid " " and resid 1249 and name HA )) (( segid " " and resid 1277 and name HB3 )) 2.900 1.100 1.100 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 4.123 ppm2 2.372 CV 1 OR { 2051} (( segid " " and resid 1249 and name HA )) (( segid " " and resid 1277 and name HB2 )) ASSI { 2052} (( segid " " and resid 1331 and name HA )) (( segid " " and resid 1334 and name HB3 )) 2.500 0.800 0.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.28117E-02 ppm1 4.125 ppm2 2.125 CV 1 ASSI { 2053} (( segid " " and resid 1331 and name HA )) (( segid " " and resid 1331 and name HB2 )) 2.900 1.100 1.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.20987E-02 ppm1 4.125 ppm2 1.940 CV 1 ASSI { 2054} (( segid " " and resid 1249 and name HA )) ( segid " " and resid 1252 and name HB% ) 2.700 0.900 0.900 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 4.124 ppm2 1.850 CV 1 ASSI { 2055} (( segid " " and resid 1249 and name HA )) (( segid " " and resid 1249 and name HB3 )) 3.100 1.200 1.200 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.17685E-02 ppm1 4.121 ppm2 1.662 CV 1 ASSI { 2057} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1286 and name H )) 2.100 0.600 0.600 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.90524E-02 ppm1 1.026 ppm2 8.580 CV 1 ASSI { 2058} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1287 and name H )) 3.400 1.500 1.500 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.25031E-02 ppm1 1.026 ppm2 7.488 CV 1 ASSI { 2059} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1283 and name HA )) 2.500 0.800 0.800 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.50586E-02 ppm1 1.026 ppm2 3.812 CV 1 ASSI { 2060} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1224 and name HA )) 3.600 1.700 1.700 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.57716E-03 ppm1 1.023 ppm2 4.543 CV 1 ASSI { 2061} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1223 and name HA )) 3.700 1.800 1.800 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.12346E-02 ppm1 1.027 ppm2 4.374 CV 1 ASSI { 2062} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1287 and name HA )) 4.100 2.100 1.900 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.85186E-03 ppm1 1.025 ppm2 4.156 CV 1 ASSI { 2063} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1286 and name HA )) 2.300 0.600 0.600 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.82807E-02 ppm1 1.026 ppm2 3.588 CV 1 ASSI { 2064} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1282 and name HA )) 3.500 1.500 1.500 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.83331E-03 ppm1 1.028 ppm2 3.410 CV 1 ASSI { 2065} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1285 and name HA3 )) 3.700 1.700 1.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.81790E-03 ppm1 1.025 ppm2 3.156 CV 1 ASSI { 2066} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1286 and name HB )) 2.200 0.600 0.600 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.92809E-02 ppm1 1.026 ppm2 2.176 CV 1 ASSI { 2067} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1223 and name HG )) 4.100 2.100 1.900 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 1.028 ppm2 1.736 CV 1 ASSI { 2068} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1223 and name HB3 )) 2.200 0.600 0.600 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.47253E-02 ppm1 1.026 ppm2 1.473 CV 1 ASSI { 2069} ( segid " " and resid 1286 and name HG2%) ( segid " " and resid 1305 and name HD1%) 3.000 1.200 1.200 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.13735E-02 ppm1 1.026 ppm2 0.652 CV 1 ASSI { 2071} (( segid " " and resid 1340 and name HA )) (( segid " " and resid 1340 and name H )) 2.500 0.800 0.800 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.46296E-02 ppm1 4.126 ppm2 7.773 CV 1 ASSI { 2072} (( segid " " and resid 1288 and name HA )) (( segid " " and resid 1288 and name HG2 )) 3.300 1.300 1.300 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.20987E-02 ppm1 4.130 ppm2 2.320 CV 1 ASSI { 2073} (( segid " " and resid 1288 and name HA )) (( segid " " and resid 1291 and name HG3 )) 3.000 1.100 1.100 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.15864E-02 ppm1 4.128 ppm2 2.624 CV 1 ASSI { 2074} (( segid " " and resid 1288 and name HA )) (( segid " " and resid 1288 and name HB2 )) 2.700 0.900 0.900 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 4.129 ppm2 1.795 CV 1 OR { 2074} (( segid " " and resid 1288 and name HA )) (( segid " " and resid 1288 and name HB3 )) ASSI { 2075} (( segid " " and resid 1340 and name HA )) (( segid " " and resid 1340 and name HB3 )) 2.400 0.700 0.700 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.58395E-02 ppm1 4.126 ppm2 1.975 CV 1 OR { 2075} (( segid " " and resid 1340 and name HA )) (( segid " " and resid 1340 and name HB2 )) ASSI { 2076} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1322 and name HB2 )) 2.400 0.700 0.700 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.63146E-02 ppm1 0.972 ppm2 1.363 CV 1 ASSI { 2077} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1322 and name HG )) 2.300 0.700 0.700 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.66298E-02 ppm1 0.972 ppm2 1.628 CV 1 ASSI { 2078} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1322 and name HB3 )) 2.300 0.700 0.700 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.63024E-02 ppm1 0.972 ppm2 1.913 CV 1 ASSI { 2079} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1332 and name HE2 )) 3.500 1.500 1.500 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.94752E-03 ppm1 0.972 ppm2 3.000 CV 1 ASSI { 2080} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1260 and name HA )) 2.500 0.800 0.800 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.45401E-02 ppm1 0.972 ppm2 4.076 CV 1 ASSI { 2081} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1326 and name HA )) 3.900 1.900 1.900 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.18148E-02 ppm1 0.971 ppm2 4.503 CV 1 ASSI { 2082} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1322 and name H )) 4.000 2.000 2.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 0.972 ppm2 8.066 CV 1 ASSI { 2083} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1323 and name H )) 4.300 2.300 1.700 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 0.972 ppm2 7.981 CV 1 ASSI { 2084} (( segid " " and resid 1326 and name HA )) (( segid " " and resid 1328 and name H )) 3.300 1.400 1.400 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.91664E-03 ppm1 4.505 ppm2 7.447 CV 1 ASSI { 2085} (( segid " " and resid 1326 and name HA )) (( segid " " and resid 1327 and name H )) 2.900 1.100 1.100 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.14413E-02 ppm1 4.502 ppm2 8.002 CV 1 ASSI { 2086} (( segid " " and resid 1326 and name HB3 )) (( segid " " and resid 1327 and name H )) 3.800 1.800 1.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.88582E-03 ppm1 1.996 ppm2 7.997 CV 1 ASSI { 2089} (( segid " " and resid 1326 and name HB2 )) (( segid " " and resid 1326 and name HA )) 2.300 0.700 0.700 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.85831E-02 ppm1 2.281 ppm2 4.497 CV 1 ASSI { 2090} (( segid " " and resid 1326 and name HA )) (( segid " " and resid 1326 and name HD2 )) 3.600 1.700 1.700 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.83639E-03 ppm1 4.507 ppm2 3.762 CV 1 ASSI { 2091} (( segid " " and resid 1326 and name HA )) (( segid " " and resid 1326 and name HD3 )) 3.400 1.400 1.400 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.97839E-03 ppm1 4.503 ppm2 3.465 CV 1 ASSI { 2092} (( segid " " and resid 1326 and name HB2 )) (( segid " " and resid 1326 and name HD3 )) 4.000 2.000 2.000 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.11821E-02 ppm1 2.267 ppm2 3.476 CV 1 ASSI { 2093} (( segid " " and resid 1326 and name HB3 )) (( segid " " and resid 1326 and name HD3 )) 3.200 1.300 1.300 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 1.995 ppm2 3.477 CV 1 ASSI { 2094} (( segid " " and resid 1326 and name HB3 )) (( segid " " and resid 1326 and name HD2 )) 3.800 1.800 1.800 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 1.995 ppm2 3.757 CV 1 ASSI { 2096} (( segid " " and resid 1310 and name HB2 )) (( segid " " and resid 1310 and name HG2 )) 2.700 0.900 0.900 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.43919E-02 ppm1 2.298 ppm2 2.673 CV 1 ASSI { 2099} (( segid " " and resid 1326 and name HA )) (( segid " " and resid 1322 and name HG )) 2.800 1.000 1.000 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.24722E-02 ppm1 4.503 ppm2 1.629 CV 1 ASSI { 2101} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1319 and name H )) 3.500 1.600 1.600 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.87035E-03 ppm1 0.597 ppm2 8.247 CV 1 ASSI { 2102} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1274 and name H )) 3.900 1.900 1.900 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.91356E-03 ppm1 0.596 ppm2 8.153 CV 1 ASSI { 2103} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1256 and name H )) 3.700 1.800 1.800 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.15123E-02 ppm1 0.596 ppm2 7.902 CV 1 ASSI { 2105} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1257 and name H )) 4.100 2.100 1.900 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.92594E-03 ppm1 0.597 ppm2 7.591 CV 1 ASSI { 2106} ( segid " " and resid 1256 and name HD1%) ( segid " " and resid 1274 and name HE% ) 3.700 1.700 1.700 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.76853E-03 ppm1 0.597 ppm2 7.122 CV 1 ASSI { 2107} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1316 and name H )) 3.900 1.900 1.900 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 0.598 ppm2 7.511 CV 1 ASSI { 2108} ( segid " " and resid 1256 and name HD1%) ( segid " " and resid 1274 and name HD% ) 3.200 1.300 1.300 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 0.595 ppm2 6.922 CV 1 ASSI { 2109} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1312 and name HA )) 4.000 2.000 2.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.74381E-03 ppm1 0.592 ppm2 4.212 CV 1 ASSI { 2110} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1316 and name HA )) 2.300 0.700 0.700 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.73026E-02 ppm1 0.596 ppm2 3.999 CV 1 ASSI { 2111} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1271 and name HB2 )) 3.700 1.700 1.700 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.85494E-03 ppm1 0.596 ppm2 3.607 CV 1 ASSI { 2112} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1274 and name HB2 )) 3.100 1.200 1.200 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 0.598 ppm2 3.411 CV 1 ASSI { 2113} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1274 and name HB3 )) 3.000 1.200 1.200 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 0.596 ppm2 3.022 CV 1 ASSI { 2114} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1315 and name HB3 )) 3.600 1.600 1.600 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.14259E-02 ppm1 0.596 ppm2 2.027 CV 1 ASSI { 2115} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1256 and name HB3 )) 2.400 0.700 0.700 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.57438E-02 ppm1 0.595 ppm2 1.867 CV 1 ASSI { 2116} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1256 and name HG )) 2.200 0.600 0.600 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.93054E-02 ppm1 0.595 ppm2 1.425 CV 1 ASSI { 2117} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1256 and name HB2 )) 2.400 0.700 0.700 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.53950E-02 ppm1 0.596 ppm2 1.639 CV 1 ASSI { 2118} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1315 and name HG )) 2.500 0.800 0.800 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.40771E-02 ppm1 0.596 ppm2 1.041 CV 1 ASSI { 2125} (( segid " " and resid 1256 and name HA )) ( segid " " and resid 1256 and name HD1%) 4.100 2.100 1.900 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.95984E-03 ppm1 4.003 ppm2 0.601 CV 1 ASSI { 2126} ( segid " " and resid 1209 and name HG1%) (( segid " " and resid 1209 and name HA )) 2.300 0.600 0.600 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.88762E-02 ppm1 0.998 ppm2 3.749 CV 1 ASSI { 2128} ( segid " " and resid 1209 and name HG1%) (( segid " " and resid 1268 and name HA )) 2.400 0.700 0.700 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.61355E-02 ppm1 0.998 ppm2 3.933 CV 1 ASSI { 2129} ( segid " " and resid 1209 and name HG1%) (( segid " " and resid 1209 and name HB )) 2.200 0.600 0.600 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.87529E-02 ppm1 0.998 ppm2 2.100 CV 1 ASSI { 2130} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1302 and name HB )) 2.200 0.600 0.600 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.97345E-02 ppm1 1.021 ppm2 2.200 CV 1 ASSI { 2131} ( segid " " and resid 1286 and name HG1%) (( segid " " and resid 1286 and name HB )) 2.200 0.600 0.600 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.95897E-02 ppm1 0.979 ppm2 2.176 CV 1 ASSI { 2132} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1320 and name HB2 )) 2.600 2.600 3.400 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.40370E-02 ppm1 0.938 ppm2 1.801 CV 1 ASSI { 2133} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1209 and name HA )) 2.700 0.900 0.900 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.66758E-02 ppm1 0.938 ppm2 3.751 CV 1 ASSI { 2134} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1210 and name HA )) 3.200 1.300 1.300 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.937 ppm2 4.487 CV 1 ASSI { 2136} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1320 and name H )) 3.400 1.400 1.400 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.24012E-02 ppm1 0.937 ppm2 8.571 CV 1 ASSI { 2137} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1303 and name H )) 3.100 1.200 1.200 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.22500E-02 ppm1 1.021 ppm2 8.511 CV 1 ASSI { 2138} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1302 and name H )) 3.600 1.600 1.600 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.23858E-02 ppm1 1.021 ppm2 8.422 CV 1 ASSI { 2140} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1257 and name H )) 2.900 1.000 1.000 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.92036E-02 ppm1 0.973 ppm2 7.592 CV 1 ASSI { 2141} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1256 and name H )) 4.400 2.400 1.600 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.91664E-03 ppm1 0.975 ppm2 7.896 CV 1 ASSI { 2143} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1258 and name H )) 3.200 1.300 1.300 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.19814E-02 ppm1 0.973 ppm2 8.172 CV 1 ASSI { 2144} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1339 and name H )) 3.700 1.700 1.700 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 0.973 ppm2 8.455 CV 1 ASSI { 2145} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1336 and name HA )) 2.400 0.700 0.700 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.67589E-02 ppm1 0.974 ppm2 3.999 CV 1 ASSI { 2146} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1254 and name HA )) 3.200 1.300 1.300 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.35062E-02 ppm1 0.974 ppm2 3.903 CV 1 ASSI { 2147} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1257 and name HA )) 2.300 0.700 0.700 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.82470E-02 ppm1 0.973 ppm2 3.415 CV 1 ASSI { 2149} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1257 and name HB )) 2.200 0.600 0.600 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.81452E-02 ppm1 0.973 ppm2 2.284 CV 1 ASSI { 2150} (( segid " " and resid 1229 and name HB2 )) (( segid " " and resid 1229 and name HG2 )) 2.400 0.700 0.700 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.56882E-02 ppm1 2.333 ppm2 2.014 CV 1 OR { 2150} (( segid " " and resid 1229 and name HB2 )) (( segid " " and resid 1229 and name HG3 )) ASSI { 2151} (( segid " " and resid 1229 and name HB2 )) (( segid " " and resid 1229 and name HB3 )) 1.800 0.400 0.400 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.14336E-01 ppm1 2.333 ppm2 1.930 CV 1 ASSI { 2153} ( segid " " and resid 1257 and name HG2%) (( segid " " and resid 1258 and name H )) 3.600 1.600 1.600 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 0.907 ppm2 8.174 CV 1 ASSI { 2156} ( segid " " and resid 1257 and name HG2%) (( segid " " and resid 1336 and name HA )) 2.600 0.800 0.800 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.43734E-02 ppm1 0.908 ppm2 3.994 CV 1 ASSI { 2157} ( segid " " and resid 1257 and name HG2%) (( segid " " and resid 1260 and name HB2 )) 3.600 1.600 1.600 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.17592E-02 ppm1 0.907 ppm2 3.898 CV 1 ASSI { 2158} ( segid " " and resid 1257 and name HG2%) (( segid " " and resid 1257 and name HA )) 2.300 0.700 0.700 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.75614E-02 ppm1 0.908 ppm2 3.415 CV 1 ASSI { 2159} ( segid " " and resid 1257 and name HG2%) (( segid " " and resid 1257 and name HB )) 2.100 0.600 0.600 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.95955E-02 ppm1 0.908 ppm2 2.284 CV 1 ASSI { 2160} ( segid " " and resid 1257 and name HG2%) ( segid " " and resid 1336 and name HB% ) 3.200 1.300 1.300 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.26605E-02 ppm1 0.908 ppm2 1.547 CV 1 ASSI { 2162} (( segid " " and resid 1302 and name HA )) (( segid " " and resid 1305 and name H )) 3.100 1.200 1.200 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 3.457 ppm2 8.881 CV 1 ASSI { 2166} (( segid " " and resid 1302 and name HA )) (( segid " " and resid 1305 and name HB3 )) 3.500 1.600 1.600 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.28827E-02 ppm1 3.455 ppm2 2.288 CV 1 ASSI { 2167} (( segid " " and resid 1302 and name HA )) (( segid " " and resid 1302 and name HB )) 3.000 1.100 1.100 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 3.455 ppm2 2.202 CV 1 ASSI { 2168} (( segid " " and resid 1302 and name HA )) (( segid " " and resid 1305 and name HB2 )) 2.900 1.100 1.100 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 3.455 ppm2 1.376 CV 1 ASSI { 2172} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1302 and name HA )) 2.200 0.600 0.600 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.89198E-02 ppm1 1.075 ppm2 3.456 CV 1 ASSI { 2173} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1299 and name HA )) 2.800 1.000 1.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.32870E-02 ppm1 1.075 ppm2 4.122 CV 1 ASSI { 2174} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1302 and name HB )) 2.200 0.600 0.600 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.95740E-02 ppm1 1.075 ppm2 2.201 CV 1 ASSI { 2176} ( segid " " and resid 1302 and name HG2%) ( segid " " and resid 1305 and name HD1%) 3.600 1.600 1.600 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.93211E-03 ppm1 1.076 ppm2 0.654 CV 1 ASSI { 2177} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1302 and name H )) 2.200 0.600 0.600 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.89442E-02 ppm1 1.075 ppm2 8.422 CV 1 ASSI { 2178} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1301 and name H )) 4.000 2.000 2.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 1.076 ppm2 8.232 CV 1 ASSI { 2179} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1302 and name HA )) 2.400 0.700 0.700 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.60059E-02 ppm1 1.021 ppm2 3.456 CV 1 ASSI { 2180} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1306 and name HE2 )) 2.600 2.600 3.400 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.42407E-02 ppm1 1.021 ppm2 2.858 CV 1 OR { 2180} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1306 and name HE3 )) ASSI { 2181} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1299 and name HA )) 3.400 1.400 1.400 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 1.018 ppm2 4.114 CV 1 ASSI { 2182} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1306 and name H )) 3.400 1.400 1.400 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 1.021 ppm2 8.834 CV 1 ASSI { 2183} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1342 and name H )) 3.600 1.600 1.600 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.22346E-02 ppm1 0.990 ppm2 7.646 CV 1 ASSI { 2184} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1274 and name HZ )) 2.600 0.900 0.900 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 0.990 ppm2 7.485 CV 1 ASSI { 2185} ( segid " " and resid 1342 and name HG1%) ( segid " " and resid 1274 and name HE% ) 2.700 0.900 0.900 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.27932E-02 ppm1 0.990 ppm2 7.124 CV 1 ASSI { 2186} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1343 and name H )) 3.100 1.200 1.200 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.24074E-02 ppm1 0.990 ppm2 8.390 CV 1 ASSI { 2187} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1346 and name H )) 3.600 1.600 1.600 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 0.997 ppm2 8.502 CV 1 ASSI { 2188} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1311 and name H )) 3.100 3.100 2.900 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.63269E-03 ppm1 0.995 ppm2 8.775 CV 1 ASSI { 2189} ( segid " " and resid 1342 and name HG1%) ( segid " " and resid 1274 and name HD% ) 3.200 1.300 1.300 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.56172E-03 ppm1 0.993 ppm2 6.934 CV 1 ASSI { 2190} ( segid " " and resid 1342 and name HG2%) ( segid " " and resid 1274 and name HD% ) 3.500 1.500 1.500 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.32098E-03 ppm1 1.094 ppm2 6.927 CV 1 ASSI { 2191} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1250 and name HA )) 3.700 1.700 1.700 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.83331E-03 ppm1 0.991 ppm2 4.397 CV 1 ASSI { 2192} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1312 and name HA )) 3.400 1.400 1.400 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 0.990 ppm2 4.212 CV 1 ASSI { 2193} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1343 and name HA )) 2.900 1.000 1.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 0.990 ppm2 4.110 CV 1 ASSI { 2194} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1308 and name HA )) 3.100 1.200 1.200 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.30432E-02 ppm1 0.990 ppm2 3.987 CV 1 ASSI { 2195} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1342 and name HA )) 2.400 0.700 0.700 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.50771E-02 ppm1 0.990 ppm2 3.681 CV 1 ASSI { 2196} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1342 and name HB )) 2.200 0.600 0.600 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.73178E-02 ppm1 0.990 ppm2 2.432 CV 1 ASSI { 2198} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1346 and name HG13)) 2.800 1.000 1.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.16481E-02 ppm1 0.991 ppm2 1.866 CV 1 ASSI { 2200} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1346 and name HG12)) 2.900 1.100 1.100 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.45493E-02 ppm1 0.990 ppm2 0.457 CV 1 ASSI { 2201} ( segid " " and resid 1342 and name HG1%) ( segid " " and resid 1249 and name HD2%) 3.300 1.300 1.300 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.990 ppm2 0.197 CV 1 ASSI { 2202} (( segid " " and resid 1329 and name HA )) (( segid " " and resid 1332 and name H )) 3.400 1.500 1.500 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 4.327 ppm2 8.105 CV 1 ASSI { 2203} (( segid " " and resid 1355 and name HA )) (( segid " " and resid 1356 and name H )) 2.900 1.000 1.000 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.24846E-02 ppm1 4.377 ppm2 8.256 CV 1 ASSI { 2204} (( segid " " and resid 1355 and name HA )) (( segid " " and resid 1355 and name H )) 2.800 1.000 1.000 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.25741E-02 ppm1 4.376 ppm2 8.148 CV 1 ASSI { 2205} (( segid " " and resid 1223 and name HA )) (( segid " " and resid 1223 and name H )) 2.700 0.900 0.900 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.26790E-02 ppm1 4.368 ppm2 7.927 CV 1 ASSI { 2206} (( segid " " and resid 1355 and name HA )) (( segid " " and resid 1355 and name HG2 )) 3.000 1.100 1.100 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.24105E-02 ppm1 4.377 ppm2 2.399 CV 1 OR { 2206} (( segid " " and resid 1355 and name HA )) (( segid " " and resid 1355 and name HG3 )) ASSI { 2207} (( segid " " and resid 1355 and name HA )) (( segid " " and resid 1355 and name HB2 )) 2.600 0.900 0.900 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.42500E-02 ppm1 4.377 ppm2 2.153 CV 1 ASSI { 2208} (( segid " " and resid 1355 and name HA )) (( segid " " and resid 1355 and name HB3 )) 2.700 0.900 0.900 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.32561E-02 ppm1 4.377 ppm2 2.055 CV 1 ASSI { 2209} (( segid " " and resid 1223 and name HA )) (( segid " " and resid 1223 and name HB2 )) 3.000 1.100 1.100 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.23426E-02 ppm1 4.367 ppm2 1.894 CV 1 ASSI { 2210} (( segid " " and resid 1223 and name HA )) (( segid " " and resid 1223 and name HB3 )) 2.500 0.800 0.800 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.30648E-02 ppm1 4.368 ppm2 1.477 CV 1 ASSI { 2214} (( segid " " and resid 1355 and name HB2 )) (( segid " " and resid 1355 and name HB3 )) 1.500 0.300 0.700 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.37213E-01 ppm1 2.150 ppm2 2.059 CV 1 ASSI { 2215} (( segid " " and resid 1223 and name HA )) (( segid " " and resid 1223 and name HG )) 3.100 1.200 1.200 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 4.368 ppm2 1.746 CV 1 ASSI { 2216} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1304 and name HD21)) 3.200 1.300 1.300 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 1.082 ppm2 7.217 CV 1 ASSI { 2217} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1281 and name HZ )) 2.700 2.700 3.300 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 1.081 ppm2 7.068 CV 1 ASSI { 2218} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1349 and name H )) 3.800 1.800 1.800 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.16667E-02 ppm1 1.081 ppm2 7.594 CV 1 ASSI { 2219} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1350 and name H )) 4.000 2.000 2.000 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.73148E-03 ppm1 1.081 ppm2 8.408 CV 1 ASSI { 2220} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1351 and name H )) 4.100 2.100 1.900 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.49383E-03 ppm1 1.081 ppm2 8.239 CV 1 ASSI { 2222} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1305 and name H )) 3.500 1.500 1.500 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.12037E-02 ppm1 1.081 ppm2 8.882 CV 1 ASSI { 2223} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1304 and name HA )) 2.800 2.800 3.200 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 1.079 ppm2 4.705 CV 1 ASSI { 2224} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1349 and name HA )) 2.100 0.500 0.500 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.94600E-02 ppm1 1.080 ppm2 4.238 CV 1 ASSI { 2225} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1301 and name HA )) 2.900 1.100 1.100 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.43704E-02 ppm1 1.080 ppm2 3.600 CV 1 ASSI { 2226} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1350 and name HA )) 3.800 1.800 1.800 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.66356E-03 ppm1 1.081 ppm2 3.811 CV 1 ASSI { 2228} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1304 and name HB2 )) 2.300 0.700 0.700 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.45648E-02 ppm1 1.080 ppm2 3.085 CV 1 ASSI { 2229} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1304 and name HB3 )) 2.600 0.800 0.800 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.46512E-02 ppm1 1.080 ppm2 2.778 CV 1 ASSI { 2230} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1305 and name HG )) 2.800 0.900 0.900 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 1.081 ppm2 2.094 CV 1 ASSI { 2231} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1349 and name HB3 )) 2.800 1.000 1.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.55894E-02 ppm1 1.080 ppm2 2.306 CV 1 ASSI { 2232} (( segid " " and resid 1305 and name HB3 )) (( segid " " and resid 1305 and name HG )) 3.500 1.500 1.500 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.85494E-03 ppm1 2.296 ppm2 2.095 CV 1 ASSI { 2233} ( segid " " and resid 1349 and name HD2%) (( segid " " and resid 1349 and name HB2 )) 2.200 0.600 0.600 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.97962E-02 ppm1 1.080 ppm2 1.734 CV 1 ASSI { 2234} ( segid " " and resid 1349 and name HD1%) ( segid " " and resid 1305 and name HD2%) 2.800 1.000 1.000 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.30463E-02 ppm1 1.051 ppm2 0.740 CV 1 ASSI { 2236} (( segid " " and resid 1335 and name HA )) ( segid " " and resid 1335 and name HD1%) 3.200 1.300 1.300 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.35957E-02 ppm1 3.915 ppm2 0.813 CV 1 ASSI { 2237} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1335 and name H )) 3.900 1.900 1.900 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.15803E-02 ppm1 0.807 ppm2 7.827 CV 1 ASSI { 2238} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1318 and name H )) 3.600 1.600 1.600 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 0.807 ppm2 8.065 CV 1 ASSI { 2239} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1319 and name H )) 2.700 0.900 0.900 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.30802E-02 ppm1 0.808 ppm2 8.250 CV 1 ASSI { 2240} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1339 and name H )) 4.300 2.300 1.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.67589E-03 ppm1 0.813 ppm2 8.453 CV 1 ASSI { 2241} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1320 and name H )) 3.200 3.200 2.800 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.57098E-03 ppm1 0.811 ppm2 8.580 CV 1 ASSI { 2242} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1318 and name HA )) 3.900 1.900 1.900 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.92286E-03 ppm1 0.808 ppm2 4.212 CV 1 ASSI { 2243} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1260 and name HA )) 3.700 1.700 1.700 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.76236E-03 ppm1 0.812 ppm2 4.090 CV 1 ASSI { 2245} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1257 and name HA )) 3.700 1.700 1.700 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.808 ppm2 3.412 CV 1 ASSI { 2247} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1322 and name HB3 )) 3.300 1.300 1.300 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.16975E-02 ppm1 0.811 ppm2 1.907 CV 1 ASSI { 2250} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1339 and name H )) 3.800 1.800 1.800 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 0.885 ppm2 8.455 CV 1 ASSI { 2251} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1213 and name H )) 3.000 1.200 1.200 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 0.881 ppm2 8.278 CV 1 ASSI { 2253} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1257 and name H )) 3.600 1.600 1.600 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.84261E-03 ppm1 0.882 ppm2 7.588 CV 1 ASSI { 2254} ( segid " " and resid 1213 and name HD2%) ( segid " " and resid 1274 and name HD% ) 3.800 1.800 1.800 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.23765E-02 ppm1 0.878 ppm2 6.923 CV 1 ASSI { 2255} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1260 and name HA )) 2.600 2.600 3.400 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 0.882 ppm2 4.090 CV 1 ASSI { 2256} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1260 and name HB3 )) 2.300 2.300 3.700 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.77934E-02 ppm1 0.883 ppm2 3.973 CV 1 ASSI { 2258} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1257 and name HA )) 2.300 0.700 0.700 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.57685E-02 ppm1 0.884 ppm2 3.414 CV 1 ASSI { 2259} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1213 and name HG )) 1.900 0.500 0.500 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.14901E-01 ppm1 0.880 ppm2 1.591 CV 1 ASSI { 2260} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1316 and name HB3 )) 2.400 0.700 0.700 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.32067E-02 ppm1 0.878 ppm2 1.288 CV 1 ASSI { 2261} (( segid " " and resid 1249 and name HA )) (( segid " " and resid 1249 and name HB2 )) 2.500 0.800 0.800 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.26018E-02 ppm1 4.123 ppm2 0.999 CV 1 ASSI { 2265} (( segid " " and resid 1249 and name HA )) (( segid " " and resid 1252 and name H )) 3.000 1.100 1.100 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 4.122 ppm2 8.543 CV 1 ASSI { 2266} (( segid " " and resid 1331 and name HA )) (( segid " " and resid 1334 and name H )) 3.200 1.200 1.200 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.12346E-02 ppm1 4.125 ppm2 8.266 CV 1 ASSI { 2268} (( segid " " and resid 1331 and name HA )) (( segid " " and resid 1331 and name H )) 2.900 1.100 1.100 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 4.126 ppm2 7.965 CV 1 ASSI { 2269} ( segid " " and resid 1317 and name HD1%) (( segid " " and resid 1318 and name H )) 4.000 2.000 2.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.12716E-02 ppm1 0.841 ppm2 8.069 CV 1 ASSI { 2270} ( segid " " and resid 1267 and name HD2%) (( segid " " and resid 1268 and name H )) 3.900 1.900 1.900 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.11080E-02 ppm1 0.845 ppm2 8.436 CV 1 ASSI { 2271} (( segid " " and resid 1317 and name HA )) (( segid " " and resid 1317 and name H )) 2.600 0.800 0.800 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.29136E-02 ppm1 4.029 ppm2 8.618 CV 1 ASSI { 2272} ( segid " " and resid 1267 and name HD2%) (( segid " " and resid 1267 and name H )) 3.600 1.600 1.600 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.20772E-02 ppm1 0.843 ppm2 7.797 CV 1 ASSI { 2273} ( segid " " and resid 1267 and name HD2%) (( segid " " and resid 1260 and name HA )) 2.500 0.800 0.800 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.50956E-02 ppm1 0.844 ppm2 4.076 CV 1 ASSI { 2274} ( segid " " and resid 1317 and name HD1%) (( segid " " and resid 1314 and name HA )) 2.200 0.600 0.600 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.11540E-01 ppm1 0.841 ppm2 3.962 CV 1 ASSI { 2275} ( segid " " and resid 1317 and name HD1%) (( segid " " and resid 1317 and name HB2 )) 2.200 0.600 0.600 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.95618E-02 ppm1 0.841 ppm2 1.875 CV 1 ASSI { 2276} ( segid " " and resid 1267 and name HD2%) (( segid " " and resid 1267 and name HB3 )) 2.200 0.600 0.600 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.83581E-02 ppm1 0.843 ppm2 1.801 CV 1 ASSI { 2277} ( segid " " and resid 1317 and name HD1%) (( segid " " and resid 1317 and name HG )) 2.200 0.600 0.600 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.85308E-02 ppm1 0.840 ppm2 1.762 CV 1 ASSI { 2278} ( segid " " and resid 1267 and name HD2%) (( segid " " and resid 1267 and name HB2 )) 2.600 0.800 0.800 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.67188E-02 ppm1 0.844 ppm2 1.629 CV 1 ASSI { 2279} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1316 and name H )) 3.900 1.900 1.900 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 0.949 ppm2 7.519 CV 1 ASSI { 2280} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1213 and name H )) 3.300 1.400 1.400 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.15833E-02 ppm1 0.949 ppm2 8.284 CV 1 ASSI { 2281} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1317 and name H )) 2.600 2.600 3.400 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 0.948 ppm2 8.624 CV 1 ASSI { 2282} (( segid " " and resid 1227 and name HG )) (( segid " " and resid 1227 and name H )) 3.000 3.000 3.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.19167E-02 ppm1 1.596 ppm2 8.053 CV 1 ASSI { 2283} (( segid " " and resid 1316 and name HG )) ( segid " " and resid 1274 and name HE% ) 3.500 1.500 1.500 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.45678E-03 ppm1 1.592 ppm2 7.130 CV 1 ASSI { 2284} (( segid " " and resid 1316 and name HG )) ( segid " " and resid 1274 and name HD% ) 4.100 2.100 1.900 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.50308E-03 ppm1 1.599 ppm2 6.931 CV 1 ASSI { 2286} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1316 and name HB2 )) 2.400 0.700 0.700 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.38395E-02 ppm1 0.947 ppm2 2.011 CV 1 ASSI { 2287} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1223 and name HB2 )) 2.300 0.700 0.700 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.59657E-02 ppm1 0.930 ppm2 1.888 CV 1 ASSI { 2289} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1316 and name HG )) 2.400 0.700 0.700 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.45370E-02 ppm1 0.949 ppm2 1.597 CV 1 ASSI { 2290} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1316 and name HA )) 2.900 1.100 1.100 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.53827E-02 ppm1 0.948 ppm2 4.003 CV 1 ASSI { 2291} ( segid " " and resid 1316 and name HD1%) (( segid " " and resid 1213 and name HA )) 2.200 0.600 0.600 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.63333E-02 ppm1 0.948 ppm2 3.894 CV 1 ASSI { 2292} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1316 and name H )) 3.900 1.900 1.900 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.64507E-03 ppm1 0.815 ppm2 7.516 CV 1 ASSI { 2293} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1315 and name H )) 3.900 1.900 1.900 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 0.817 ppm2 7.923 CV 1 ASSI { 2294} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1338 and name H )) 4.400 2.400 1.600 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.79626E-03 ppm1 0.816 ppm2 8.158 CV 1 ASSI { 2295} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1339 and name H )) 3.200 1.300 1.300 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.28827E-02 ppm1 0.817 ppm2 8.461 CV 1 ASSI { 2296} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1315 and name HA )) 2.800 2.800 3.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.10985E-01 ppm1 0.816 ppm2 3.978 CV 1 ASSI { 2297} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1338 and name HA )) 3.900 1.900 1.900 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 0.816 ppm2 4.216 CV 1 ASSI { 2298} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1315 and name HB3 )) 2.500 0.800 0.800 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 0.816 ppm2 2.027 CV 1 ASSI { 2299} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1342 and name HB )) 3.800 1.800 1.800 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.52777E-03 ppm1 0.818 ppm2 2.433 CV 1 ASSI { 2300} ( segid " " and resid 1315 and name HD2%) ( segid " " and resid 1253 and name HB% ) 2.600 0.800 0.800 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.40463E-02 ppm1 0.816 ppm2 1.576 CV 1 ASSI { 2301} ( segid " " and resid 1315 and name HD2%) (( segid " " and resid 1315 and name HB2 )) 2.700 0.900 0.900 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.36882E-02 ppm1 0.816 ppm2 1.197 CV 1 ASSI { 2304} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1223 and name H )) 3.300 1.300 1.300 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 0.911 ppm2 7.927 CV 1 ASSI { 2305} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1224 and name H )) 3.200 3.200 2.800 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.54629E-03 ppm1 0.912 ppm2 7.577 CV 1 ASSI { 2308} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1223 and name HA )) 2.100 0.600 0.600 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.11025E-01 ppm1 0.911 ppm2 4.369 CV 1 ASSI { 2309} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1220 and name HA )) 4.400 2.400 1.600 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.87651E-03 ppm1 0.911 ppm2 4.166 CV 1 ASSI { 2310} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1283 and name HA )) 2.900 1.100 1.100 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.22191E-02 ppm1 0.912 ppm2 3.813 CV 1 ASSI { 2311} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1283 and name HG3 )) 4.100 2.100 1.900 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.96607E-03 ppm1 0.911 ppm2 2.453 CV 1 ASSI { 2312} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1283 and name HG2 )) 2.700 0.900 0.900 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.22901E-02 ppm1 0.911 ppm2 2.206 CV 1 ASSI { 2313} (( segid " " and resid 1223 and name HB3 )) (( segid " " and resid 1223 and name HG )) 3.300 1.300 1.300 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 1.474 ppm2 1.744 CV 1 ASSI { 2314} ( segid " " and resid 1228 and name HD1%) (( segid " " and resid 1228 and name HB3 )) 2.700 0.900 0.900 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.63239E-02 ppm1 0.919 ppm2 1.496 CV 1 ASSI { 2315} (( segid " " and resid 1223 and name HB3 )) ( segid " " and resid 1223 and name HD1%) 2.600 0.900 0.900 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.27500E-02 ppm1 1.478 ppm2 0.921 CV 1 OR { 2315} (( segid " " and resid 1223 and name HB3 )) ( segid " " and resid 1223 and name HD2%) ASSI { 2317} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1284 and name H )) 4.400 2.400 1.600 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.45061E-03 ppm1 0.930 ppm2 7.410 CV 1 ASSI { 2318} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1224 and name H )) 3.100 3.100 2.900 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.59570E-03 ppm1 0.929 ppm2 7.569 CV 1 ASSI { 2319} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1223 and name H )) 3.400 1.500 1.500 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 0.928 ppm2 7.924 CV 1 ASSI { 2320} ( segid " " and resid 1228 and name HD2%) (( segid " " and resid 1228 and name H )) 3.700 1.700 1.700 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 0.910 ppm2 8.198 CV 1 ASSI { 2321} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1223 and name HA )) 3.600 1.700 1.700 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.23024E-02 ppm1 0.929 ppm2 4.361 CV 1 ASSI { 2322} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1220 and name HA )) 3.700 1.800 1.800 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.14506E-02 ppm1 0.928 ppm2 4.167 CV 1 ASSI { 2323} (( segid " " and resid 1224 and name HA )) (( segid " " and resid 1224 and name HG )) 3.200 1.300 1.300 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.17315E-02 ppm1 4.550 ppm2 1.728 CV 1 ASSI { 2324} (( segid " " and resid 1224 and name HA )) (( segid " " and resid 1224 and name HB3 )) 2.600 0.900 0.900 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.34567E-02 ppm1 4.551 ppm2 1.573 CV 1 ASSI { 2325} (( segid " " and resid 1224 and name HB3 )) (( segid " " and resid 1224 and name HG )) 2.900 1.000 1.000 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.21574E-02 ppm1 1.570 ppm2 1.728 CV 1 ASSI { 2327} (( segid " " and resid 1224 and name HA )) (( segid " " and resid 1224 and name HB2 )) 2.800 1.000 1.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.27870E-02 ppm1 4.550 ppm2 2.007 CV 1 ASSI { 2329} (( segid " " and resid 1224 and name HA )) (( segid " " and resid 1224 and name H )) 2.800 1.000 1.000 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.25061E-02 ppm1 4.551 ppm2 7.574 CV 1 ASSI { 2330} (( segid " " and resid 1224 and name HA )) (( segid " " and resid 1225 and name H )) 3.000 1.100 1.100 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 4.549 ppm2 7.407 CV 1 ASSI { 2334} (( segid " " and resid 1224 and name HB3 )) ( segid " " and resid 1224 and name HD1%) 3.200 1.300 1.300 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 1.573 ppm2 0.855 CV 1 ASSI { 2335} (( segid " " and resid 1224 and name HA )) ( segid " " and resid 1224 and name HD1%) 2.800 1.000 1.000 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.44814E-02 ppm1 4.551 ppm2 0.847 CV 1 ASSI { 2337} ( segid " " and resid 1224 and name HD1%) (( segid " " and resid 1224 and name H )) 3.400 1.500 1.500 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.18518E-02 ppm1 0.844 ppm2 7.575 CV 1 ASSI { 2338} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1325 and name H )) 3.800 1.800 1.800 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.91356E-03 ppm1 0.991 ppm2 7.418 CV 1 ASSI { 2339} ( segid " " and resid 1224 and name HD2%) (( segid " " and resid 1224 and name H )) 3.300 1.300 1.300 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.14135E-02 ppm1 0.985 ppm2 7.575 CV 1 ASSI { 2341} ( segid " " and resid 1224 and name HD2%) (( segid " " and resid 1220 and name HA )) 2.800 1.000 1.000 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.24351E-02 ppm1 0.988 ppm2 4.170 CV 1 ASSI { 2342} ( segid " " and resid 1224 and name HD2%) (( segid " " and resid 1224 and name HB2 )) 2.500 0.800 0.800 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.75957E-02 ppm1 0.987 ppm2 2.006 CV 1 ASSI { 2343} ( segid " " and resid 1224 and name HD2%) (( segid " " and resid 1224 and name HG )) 2.300 0.700 0.700 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.76731E-02 ppm1 0.987 ppm2 1.732 CV 1 ASSI { 2344} ( segid " " and resid 1224 and name HD2%) (( segid " " and resid 1224 and name HB3 )) 2.400 0.700 0.700 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.63548E-02 ppm1 0.987 ppm2 1.573 CV 1 ASSI { 2345} (( segid " " and resid 1230 and name HA )) (( segid " " and resid 1231 and name H )) 2.300 0.700 0.700 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.86605E-02 ppm1 4.514 ppm2 8.601 CV 1 ASSI { 2346} (( segid " " and resid 1230 and name HB3 )) (( segid " " and resid 1229 and name HA )) 4.600 2.600 1.400 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.65432E-03 ppm1 1.964 ppm2 4.700 CV 1 ASSI { 2347} (( segid " " and resid 1230 and name HA )) (( segid " " and resid 1230 and name HB2 )) 2.600 0.900 0.900 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.64629E-02 ppm1 4.514 ppm2 2.291 CV 1 ASSI { 2348} (( segid " " and resid 1230 and name HA )) (( segid " " and resid 1230 and name HB3 )) 2.400 0.700 0.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.45031E-02 ppm1 4.514 ppm2 1.970 CV 1 ASSI { 2350} (( segid " " and resid 1230 and name HB2 )) (( segid " " and resid 1231 and name H )) 3.300 1.400 1.400 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 2.293 ppm2 8.592 CV 1 ASSI { 2351} (( segid " " and resid 1230 and name HB2 )) (( segid " " and resid 1230 and name HD3 )) 3.400 1.500 1.500 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 2.280 ppm2 3.614 CV 1 ASSI { 2354} (( segid " " and resid 1228 and name HA )) (( segid " " and resid 1229 and name HD2 )) 2.400 0.700 0.700 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.77440E-02 ppm1 4.628 ppm2 3.534 CV 1 ASSI { 2356} (( segid " " and resid 1228 and name HB2 )) (( segid " " and resid 1229 and name HD2 )) 3.300 1.300 1.300 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.16790E-02 ppm1 1.584 ppm2 3.537 CV 1 ASSI { 2357} (( segid " " and resid 1228 and name HB3 )) (( segid " " and resid 1229 and name HD2 )) 2.700 0.900 0.900 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.17963E-02 ppm1 1.511 ppm2 3.535 CV 1 ASSI { 2359} (( segid " " and resid 1228 and name HB3 )) (( segid " " and resid 1228 and name H )) 3.200 1.300 1.300 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 1.514 ppm2 8.200 CV 1 ASSI { 2360} (( segid " " and resid 1228 and name HA )) (( segid " " and resid 1228 and name H )) 2.800 1.000 1.000 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 4.627 ppm2 8.202 CV 1 ASSI { 2361} (( segid " " and resid 1228 and name HA )) (( segid " " and resid 1228 and name HB3 )) 2.400 0.700 0.700 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.44043E-02 ppm1 4.627 ppm2 1.523 CV 1 ASSI { 2362} (( segid " " and resid 1228 and name HA )) (( segid " " and resid 1228 and name HG )) 3.200 1.300 1.300 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.12037E-02 ppm1 4.625 ppm2 1.726 CV 1 ASSI { 2363} (( segid " " and resid 1228 and name HA )) (( segid " " and resid 1229 and name HG3 )) 4.200 2.200 1.800 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.14413E-02 ppm1 4.627 ppm2 2.019 CV 1 OR { 2363} (( segid " " and resid 1228 and name HA )) (( segid " " and resid 1229 and name HG2 )) ASSI { 2364} (( segid " " and resid 1228 and name HA )) (( segid " " and resid 1228 and name HB2 )) 2.800 1.000 1.000 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.33117E-02 ppm1 4.626 ppm2 1.583 CV 1 ASSI { 2366} ( segid " " and resid 1228 and name HD1%) (( segid " " and resid 1228 and name H )) 3.500 1.600 1.600 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.12531E-02 ppm1 0.923 ppm2 8.201 CV 1 ASSI { 2367} ( segid " " and resid 1228 and name HD1%) (( segid " " and resid 1228 and name HA )) 2.900 1.000 1.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.58855E-02 ppm1 0.924 ppm2 4.624 CV 1 ASSI { 2368} ( segid " " and resid 1228 and name HD1%) (( segid " " and resid 1229 and name HD3 )) 3.500 1.600 1.600 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 0.924 ppm2 3.854 CV 1 ASSI { 2369} ( segid " " and resid 1228 and name HD1%) (( segid " " and resid 1229 and name HD2 )) 3.000 1.200 1.200 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.33734E-02 ppm1 0.924 ppm2 3.538 CV 1 ASSI { 2370} ( segid " " and resid 1228 and name HD1%) (( segid " " and resid 1228 and name HG )) 2.300 0.700 0.700 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.79475E-02 ppm1 0.924 ppm2 1.725 CV 1 ASSI { 2371} ( segid " " and resid 1223 and name HD2%) (( segid " " and resid 1283 and name HB3 )) 3.500 1.500 1.500 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 0.918 ppm2 2.003 CV 1 ASSI { 2372} ( segid " " and resid 1228 and name HD2%) (( segid " " and resid 1228 and name HA )) 3.300 1.400 1.400 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 0.910 ppm2 4.621 CV 1 ASSI { 2373} ( segid " " and resid 1228 and name HD2%) (( segid " " and resid 1298 and name HD2 )) 2.600 2.600 3.400 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.18457E-02 ppm1 0.909 ppm2 3.253 CV 1 ASSI { 2375} ( segid " " and resid 1247 and name HB% ) (( segid " " and resid 1247 and name HA )) 2.000 0.500 0.500 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.19163E-01 ppm1 1.584 ppm2 4.241 CV 1 ASSI { 2376} ( segid " " and resid 1336 and name HB% ) (( segid " " and resid 1336 and name H )) 2.100 0.600 0.600 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.12250E-01 ppm1 1.544 ppm2 7.741 CV 1 ASSI { 2377} (( segid " " and resid 1255 and name HB2 )) (( segid " " and resid 1255 and name H )) 2.600 0.800 0.800 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.33426E-02 ppm1 2.142 ppm2 8.735 CV 1 OR { 2377} (( segid " " and resid 1255 and name HB3 )) (( segid " " and resid 1255 and name H )) ASSI { 2378} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1256 and name H )) 3.800 1.800 1.800 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 0.701 ppm2 7.900 CV 1 ASSI { 2379} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1267 and name H )) 4.100 2.100 1.900 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.66048E-03 ppm1 0.701 ppm2 7.788 CV 1 ASSI { 2380} ( segid " " and resid 1256 and name HD2%) ( segid " " and resid 1274 and name HE% ) 4.200 2.200 1.800 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.61728E-03 ppm1 0.701 ppm2 7.125 CV 1 ASSI { 2381} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1257 and name H )) 4.400 2.400 1.600 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.62036E-03 ppm1 0.707 ppm2 7.592 CV 1 ASSI { 2382} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1274 and name H )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 0.701 ppm2 8.155 CV 1 ASSI { 2383} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1271 and name H )) 2.900 1.100 1.100 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.23426E-02 ppm1 0.702 ppm2 8.488 CV 1 ASSI { 2384} ( segid " " and resid 1256 and name HD2%) ( segid " " and resid 1274 and name HD% ) 3.600 1.600 1.600 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.14630E-02 ppm1 0.701 ppm2 6.924 CV 1 ASSI { 2385} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1271 and name HA )) 2.400 0.700 0.700 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.52345E-02 ppm1 0.701 ppm2 4.104 CV 1 ASSI { 2386} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1256 and name HA )) 2.200 0.600 0.600 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.80249E-02 ppm1 0.701 ppm2 4.005 CV 1 ASSI { 2387} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1271 and name HB2 )) 3.100 1.200 1.200 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.13179E-02 ppm1 0.701 ppm2 3.609 CV 1 ASSI { 2388} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1274 and name HB2 )) 3.400 1.400 1.400 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 0.702 ppm2 3.404 CV 1 ASSI { 2389} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1274 and name HB3 )) 3.200 1.300 1.300 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 0.702 ppm2 3.017 CV 1 ASSI { 2390} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1256 and name HB3 )) 2.600 0.800 0.800 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 0.701 ppm2 1.865 CV 1 ASSI { 2392} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1256 and name HB2 )) 3.000 1.100 1.100 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.48518E-02 ppm1 0.701 ppm2 1.641 CV 1 ASSI { 2393} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1315 and name HG )) 3.500 3.500 2.500 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.14259E-02 ppm1 0.703 ppm2 1.037 CV 1 ASSI { 2394} ( segid " " and resid 1267 and name HD2%) (( segid " " and resid 1267 and name HA )) 2.800 1.000 1.000 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.36358E-02 ppm1 0.844 ppm2 3.842 CV 1 ASSI { 2396} (( segid " " and resid 1276 and name HA )) (( segid " " and resid 1276 and name H )) 2.600 0.800 0.800 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.41667E-02 ppm1 4.229 ppm2 7.677 CV 1 ASSI { 2399} (( segid " " and resid 1256 and name HG )) (( segid " " and resid 1256 and name H )) 3.400 1.400 1.400 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 1.434 ppm2 7.898 CV 1 ASSI { 2400} (( segid " " and resid 1256 and name HG )) (( segid " " and resid 1257 and name H )) 4.400 2.400 1.600 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.44753E-03 ppm1 1.432 ppm2 7.593 CV 1 ASSI { 2401} (( segid " " and resid 1256 and name HG )) (( segid " " and resid 1256 and name HB3 )) 3.000 1.100 1.100 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 1.435 ppm2 1.867 CV 1 ASSI { 2402} (( segid " " and resid 1256 and name HG )) (( segid " " and resid 1256 and name HB2 )) 2.700 0.900 0.900 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.19074E-02 ppm1 1.435 ppm2 1.643 CV 1 ASSI { 2403} (( segid " " and resid 1256 and name HG )) ( segid " " and resid 1256 and name HD2%) 2.800 0.900 0.900 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.20185E-02 ppm1 1.435 ppm2 0.702 CV 1 ASSI { 2405} (( segid " " and resid 1256 and name HG )) (( segid " " and resid 1256 and name HA )) 3.000 1.100 1.100 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 1.435 ppm2 4.005 CV 1 ASSI { 2408} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1286 and name H )) 3.200 1.300 1.300 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 0.656 ppm2 8.574 CV 1 ASSI { 2409} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1305 and name H )) 3.500 1.500 1.500 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 0.657 ppm2 8.884 CV 1 ASSI { 2410} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1304 and name H )) 3.400 3.400 2.600 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.36728E-03 ppm1 0.655 ppm2 8.136 CV 1 ASSI { 2411} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1304 and name H )) 4.800 2.900 1.200 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.41667E-03 ppm1 0.734 ppm2 8.133 CV 1 ASSI { 2412} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1305 and name HA )) 2.100 0.600 0.600 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.83703E-02 ppm1 0.734 ppm2 4.186 CV 1 ASSI { 2413} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1305 and name HA )) 4.000 2.000 2.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 0.656 ppm2 4.184 CV 1 ASSI { 2415} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1305 and name HB3 )) 2.500 0.800 0.800 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.32654E-02 ppm1 0.734 ppm2 2.294 CV 1 ASSI { 2416} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1305 and name HG )) 2.200 0.600 0.600 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.65217E-02 ppm1 0.733 ppm2 2.089 CV 1 ASSI { 2417} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1305 and name HB3 )) 2.600 0.900 0.900 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.37623E-02 ppm1 0.657 ppm2 2.291 CV 1 ASSI { 2418} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1305 and name HG )) 2.300 0.700 0.700 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.49691E-02 ppm1 0.656 ppm2 2.092 CV 1 ASSI { 2420} (( segid " " and resid 1305 and name HG )) (( segid " " and resid 1302 and name HA )) 3.700 1.700 1.700 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.44136E-03 ppm1 2.097 ppm2 3.448 CV 1 ASSI { 2421} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1302 and name HA )) 2.600 0.800 0.800 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.28827E-02 ppm1 0.657 ppm2 3.451 CV 1 ASSI { 2422} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1286 and name HA )) 3.100 3.100 2.900 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.69444E-03 ppm1 0.735 ppm2 3.601 CV 1 ASSI { 2423} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1285 and name HA3 )) 2.300 0.700 0.700 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.37314E-02 ppm1 0.734 ppm2 3.155 CV 1 ASSI { 2425} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1286 and name HA )) 3.000 1.100 1.100 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 0.655 ppm2 3.587 CV 1 ASSI { 2426} (( segid " " and resid 1305 and name HB2 )) (( segid " " and resid 1305 and name HG )) 3.100 1.200 1.200 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.91356E-03 ppm1 1.371 ppm2 2.084 CV 1 ASSI { 2429} ( segid " " and resid 1305 and name HD1%) (( segid " " and resid 1305 and name HB2 )) 2.600 0.800 0.800 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.30925E-02 ppm1 0.656 ppm2 1.375 CV 1 ASSI { 2430} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1305 and name HB2 )) 3.100 1.200 1.200 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.40339E-02 ppm1 0.734 ppm2 1.375 CV 1 ASSI { 2431} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1349 and name HB2 )) 4.100 2.100 1.900 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.92286E-03 ppm1 0.735 ppm2 1.740 CV 1 ASSI { 2437} (( segid " " and resid 1305 and name HG )) ( segid " " and resid 1301 and name HG2%) 3.600 1.600 1.600 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.46605E-03 ppm1 2.095 ppm2 0.853 CV 1 ASSI { 2441} (( segid " " and resid 1316 and name HG )) (( segid " " and resid 1314 and name H )) 3.100 3.100 2.900 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.66356E-03 ppm1 1.601 ppm2 7.828 CV 1 ASSI { 2442} ( segid " " and resid 1213 and name HD1%) (( segid " " and resid 1213 and name HA )) 3.300 1.400 1.400 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.32932E-02 ppm1 0.945 ppm2 3.892 CV 1 ASSI { 2443} (( segid " " and resid 1241 and name HG3 )) (( segid " " and resid 1242 and name HA )) 2.900 2.900 3.100 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.27376E-02 ppm1 1.598 ppm2 3.926 CV 1 ASSI { 2444} (( segid " " and resid 1213 and name HB2 )) (( segid " " and resid 1213 and name HA )) 3.100 1.200 1.200 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 1.791 ppm2 3.901 CV 1 ASSI { 2445} (( segid " " and resid 1213 and name HB3 )) (( segid " " and resid 1213 and name HA )) 2.600 0.800 0.800 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 1.840 ppm2 3.898 CV 1 ASSI { 2446} (( segid " " and resid 1213 and name HB3 )) (( segid " " and resid 1210 and name HA )) 3.800 1.800 1.800 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.20864E-02 ppm1 1.839 ppm2 4.483 CV 1 ASSI { 2447} (( segid " " and resid 1213 and name HB2 )) (( segid " " and resid 1210 and name HA )) 3.200 1.300 1.300 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.20555E-02 ppm1 1.790 ppm2 4.483 CV 1 ASSI { 2449} (( segid " " and resid 1213 and name HA )) ( segid " " and resid 1213 and name HD2%) 2.500 0.800 0.800 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.46851E-02 ppm1 3.899 ppm2 0.887 CV 1 ASSI { 2450} (( segid " " and resid 1213 and name HA )) (( segid " " and resid 1216 and name HB )) 2.800 1.000 1.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.20031E-02 ppm1 3.899 ppm2 1.947 CV 1 ASSI { 2451} ( segid " " and resid 1213 and name HD1%) (( segid " " and resid 1320 and name HB2 )) 2.400 2.400 3.600 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.66542E-02 ppm1 0.945 ppm2 1.813 CV 1 ASSI { 2452} ( segid " " and resid 1213 and name HD1%) (( segid " " and resid 1213 and name H )) 3.600 1.600 1.600 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.19969E-02 ppm1 0.946 ppm2 8.280 CV 1 ASSI { 2453} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1316 and name H )) 4.000 2.000 2.000 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.17099E-02 ppm1 0.878 ppm2 7.519 CV 1 ASSI { 2454} ( segid " " and resid 1213 and name HD1%) (( segid " " and resid 1316 and name H )) 4.500 2.500 1.500 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.55247E-03 ppm1 0.946 ppm2 7.517 CV 1 ASSI { 2456} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1331 and name H )) 2.900 1.100 1.100 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.21142E-02 ppm1 0.823 ppm2 7.964 CV 1 ASSI { 2457} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1322 and name H )) 3.500 1.500 1.500 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.97223E-03 ppm1 1.050 ppm2 8.067 CV 1 ASSI { 2458} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1331 and name H )) 3.300 3.300 2.700 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.17469E-02 ppm1 1.050 ppm2 7.969 CV 1 ASSI { 2460} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1334 and name HE21)) 3.500 1.500 1.500 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.94443E-03 ppm1 0.823 ppm2 7.447 CV 1 ASSI { 2461} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1334 and name HE22)) 3.500 1.600 1.600 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.76236E-03 ppm1 0.823 ppm2 6.826 CV 1 ASSI { 2462} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1331 and name HA )) 2.100 0.600 0.600 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.11969E-01 ppm1 0.823 ppm2 4.128 CV 1 ASSI { 2463} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1322 and name HA )) 2.300 0.700 0.700 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.52685E-02 ppm1 1.050 ppm2 4.057 CV 1 ASSI { 2464} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1325 and name HB3 )) 2.800 1.000 1.000 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.48765E-02 ppm1 1.050 ppm2 2.862 CV 1 ASSI { 2465} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1325 and name HB2 )) 2.600 0.800 0.800 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.32870E-02 ppm1 1.051 ppm2 2.523 CV 1 ASSI { 2466} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1325 and name HB3 )) 4.100 2.200 1.900 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.61728E-03 ppm1 0.823 ppm2 2.863 CV 1 ASSI { 2467} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1331 and name HB2 )) 2.400 0.700 0.700 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.46018E-02 ppm1 1.050 ppm2 1.940 CV 1 ASSI { 2468} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1331 and name HB2 )) 2.600 0.900 0.900 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.34784E-02 ppm1 0.823 ppm2 1.935 CV 1 ASSI { 2469} ( segid " " and resid 1331 and name HD2%) ( segid " " and resid 1321 and name HB% ) 2.900 1.000 1.000 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.22562E-02 ppm1 1.051 ppm2 1.532 CV 1 ASSI { 2471} ( segid " " and resid 1331 and name HD1%) ( segid " " and resid 1321 and name HB% ) 2.700 0.900 0.900 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.38889E-02 ppm1 0.822 ppm2 1.530 CV 1 ASSI { 2472} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1331 and name HB3 )) 2.800 1.000 1.000 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.45370E-02 ppm1 0.823 ppm2 1.378 CV 1 ASSI { 2473} ( segid " " and resid 1331 and name HD2%) ( segid " " and resid 1331 and name HD1%) 2.600 0.800 0.800 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.45493E-02 ppm1 1.050 ppm2 0.819 CV 1 ASSI { 2474} (( segid " " and resid 1255 and name HG2 )) (( segid " " and resid 1254 and name HB )) 3.500 1.500 1.500 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.57407E-03 ppm1 2.566 ppm2 4.407 CV 1 ASSI { 2475} (( segid " " and resid 1255 and name HG2 )) (( segid " " and resid 1252 and name HA )) 3.300 1.400 1.400 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.95984E-03 ppm1 2.566 ppm2 4.161 CV 1 ASSI { 2476} (( segid " " and resid 1255 and name HG2 )) (( segid " " and resid 1255 and name HA )) 2.900 1.000 1.000 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.19814E-02 ppm1 2.570 ppm2 4.066 CV 1 ASSI { 2477} (( segid " " and resid 1255 and name HG2 )) (( segid " " and resid 1251 and name HE21)) 3.500 3.500 2.500 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.73148E-03 ppm1 2.566 ppm2 7.814 CV 1 ASSI { 2479} (( segid " " and resid 1255 and name HG2 )) (( segid " " and resid 1255 and name H )) 2.600 0.800 0.800 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.28951E-02 ppm1 2.566 ppm2 8.736 CV 1 ASSI { 2482} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1334 and name H )) 3.600 1.600 1.600 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.66973E-03 ppm1 4.543 ppm2 8.270 CV 1 ASSI { 2484} (( segid " " and resid 1221 and name HG2 )) (( segid " " and resid 1221 and name HE3 )) 3.200 1.300 1.300 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.12500E-02 ppm1 1.628 ppm2 3.004 CV 1 OR { 2484} (( segid " " and resid 1221 and name HG2 )) (( segid " " and resid 1221 and name HE2 )) ASSI { 2486} (( segid " " and resid 1221 and name HG2 )) (( segid " " and resid 1221 and name HB2 )) 2.700 0.900 0.900 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.26666E-02 ppm1 1.628 ppm2 1.971 CV 1 OR { 2486} (( segid " " and resid 1221 and name HG2 )) (( segid " " and resid 1221 and name HB3 )) ASSI { 2487} (( segid " " and resid 1221 and name HG3 )) (( segid " " and resid 1221 and name HB3 )) 2.700 0.900 0.900 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.28796E-02 ppm1 1.498 ppm2 1.968 CV 1 OR { 2487} (( segid " " and resid 1221 and name HG3 )) (( segid " " and resid 1221 and name HB2 )) ASSI { 2488} (( segid " " and resid 1221 and name HG2 )) (( segid " " and resid 1221 and name HA )) 3.100 1.200 1.200 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.15000E-02 ppm1 1.628 ppm2 4.058 CV 1 ASSI { 2491} (( segid " " and resid 1221 and name HG3 )) (( segid " " and resid 1218 and name HA )) 3.900 3.900 2.100 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.58640E-03 ppm1 1.501 ppm2 4.482 CV 1 ASSI { 2492} (( segid " " and resid 1221 and name HG2 )) (( segid " " and resid 1221 and name H )) 3.500 1.600 1.600 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 1.628 ppm2 7.898 CV 1 ASSI { 2493} (( segid " " and resid 1221 and name HG3 )) (( segid " " and resid 1221 and name H )) 3.300 1.300 1.300 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.94752E-03 ppm1 1.498 ppm2 7.902 CV 1 ASSI { 2494} (( segid " " and resid 1293 and name HD2 )) (( segid " " and resid 1294 and name H )) 2.900 1.000 1.000 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 3.676 ppm2 7.361 CV 1 ASSI { 2495} (( segid " " and resid 1314 and name HA )) (( segid " " and resid 1318 and name H )) 3.600 3.600 2.400 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.90739E-03 ppm1 3.955 ppm2 8.078 CV 1 ASSI { 2496} (( segid " " and resid 1314 and name HA )) (( segid " " and resid 1315 and name H )) 3.600 1.600 1.600 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.64507E-03 ppm1 3.954 ppm2 7.927 CV 1 ASSI { 2499} (( segid " " and resid 1314 and name HB2 )) (( segid " " and resid 1314 and name H )) 2.600 0.800 0.800 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.23302E-02 ppm1 1.879 ppm2 7.823 CV 1 ASSI { 2500} (( segid " " and resid 1314 and name HE2 )) (( segid " " and resid 1314 and name H )) 4.000 2.000 2.000 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.53703E-03 ppm1 2.951 ppm2 7.820 CV 1 OR { 2500} (( segid " " and resid 1314 and name HE3 )) (( segid " " and resid 1314 and name H )) ASSI { 2502} (( segid " " and resid 1314 and name HG3 )) (( segid " " and resid 1314 and name H )) 3.000 1.100 1.100 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.97531E-03 ppm1 1.432 ppm2 7.825 CV 1 ASSI { 2503} (( segid " " and resid 1314 and name HE3 )) (( segid " " and resid 1311 and name HA )) 3.300 1.400 1.400 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 2.948 ppm2 4.192 CV 1 OR { 2503} (( segid " " and resid 1314 and name HE2 )) (( segid " " and resid 1311 and name HA )) ASSI { 2504} (( segid " " and resid 1320 and name HE2 )) (( segid " " and resid 1317 and name HA )) 3.600 1.600 1.600 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 2.953 ppm2 4.027 CV 1 ASSI { 2505} (( segid " " and resid 1314 and name HG2 )) (( segid " " and resid 1311 and name HA )) 4.200 2.200 1.800 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.56172E-03 ppm1 1.660 ppm2 4.192 CV 1 ASSI { 2506} (( segid " " and resid 1314 and name HG2 )) (( segid " " and resid 1314 and name HA )) 3.200 1.300 1.300 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 1.666 ppm2 3.960 CV 1 ASSI { 2507} (( segid " " and resid 1314 and name HG3 )) (( segid " " and resid 1314 and name HA )) 2.800 1.000 1.000 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.24351E-02 ppm1 1.432 ppm2 3.954 CV 1 ASSI { 2508} (( segid " " and resid 1314 and name HB2 )) (( segid " " and resid 1311 and name HA )) 2.800 1.000 1.000 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.16049E-02 ppm1 1.879 ppm2 4.192 CV 1 ASSI { 2510} (( segid " " and resid 1314 and name HG2 )) (( segid " " and resid 1314 and name HE2 )) 3.200 1.300 1.300 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 1.665 ppm2 2.949 CV 1 OR { 2510} (( segid " " and resid 1314 and name HG2 )) (( segid " " and resid 1314 and name HE3 )) ASSI { 2512} (( segid " " and resid 1314 and name HG2 )) (( segid " " and resid 1314 and name HB2 )) 3.000 1.100 1.100 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.21790E-02 ppm1 1.664 ppm2 1.880 CV 1 ASSI { 2513} (( segid " " and resid 1314 and name HG3 )) (( segid " " and resid 1314 and name HB2 )) 2.900 1.000 1.000 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.19012E-02 ppm1 1.430 ppm2 1.884 CV 1 ASSI { 2514} (( segid " " and resid 1314 and name HE3 )) (( segid " " and resid 1314 and name HB2 )) 3.700 1.700 1.700 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 2.950 ppm2 1.867 CV 1 OR { 2514} (( segid " " and resid 1314 and name HE2 )) (( segid " " and resid 1314 and name HB2 )) ASSI { 2515} (( segid " " and resid 1314 and name HA )) (( segid " " and resid 1314 and name HB2 )) 2.600 0.800 0.800 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.67775E-02 ppm1 3.952 ppm2 1.879 CV 1 ASSI { 2516} (( segid " " and resid 1314 and name HA )) (( segid " " and resid 1314 and name HG2 )) 3.100 1.200 1.200 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 3.953 ppm2 1.668 CV 1 OR { 2516} (( segid " " and resid 1314 and name HA )) (( segid " " and resid 1314 and name HD2 )) ASSI { 2517} (( segid " " and resid 1314 and name HB3 )) (( segid " " and resid 1314 and name HG2 )) 2.400 0.700 0.700 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.34722E-02 ppm1 1.952 ppm2 1.662 CV 1 ASSI { 2518} (( segid " " and resid 1314 and name HB2 )) (( segid " " and resid 1314 and name HD3 )) 2.800 0.900 0.900 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.25401E-02 ppm1 1.880 ppm2 1.670 CV 1 OR { 2518} (( segid " " and resid 1314 and name HB2 )) (( segid " " and resid 1314 and name HG2 )) OR { 2518} (( segid " " and resid 1314 and name HB2 )) (( segid " " and resid 1314 and name HD2 )) ASSI { 2519} (( segid " " and resid 1314 and name HE3 )) (( segid " " and resid 1314 and name HD3 )) 2.200 0.600 0.600 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.95676E-02 ppm1 2.952 ppm2 1.680 CV 1 OR { 2519} (( segid " " and resid 1314 and name HE2 )) (( segid " " and resid 1314 and name HD3 )) OR { 2519} (( segid " " and resid 1314 and name HE3 )) (( segid " " and resid 1314 and name HD2 )) OR { 2519} (( segid " " and resid 1314 and name HE2 )) (( segid " " and resid 1314 and name HD2 )) ASSI { 2520} (( segid " " and resid 1314 and name HG3 )) (( segid " " and resid 1314 and name HG2 )) 2.000 0.500 0.500 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.77068E-02 ppm1 1.432 ppm2 1.667 CV 1 OR { 2520} (( segid " " and resid 1314 and name HG3 )) (( segid " " and resid 1314 and name HD2 )) ASSI { 2521} (( segid " " and resid 1314 and name HA )) (( segid " " and resid 1317 and name HB3 )) 3.400 3.400 2.600 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.35802E-02 ppm1 3.953 ppm2 1.456 CV 1 ASSI { 2522} (( segid " " and resid 1314 and name HB3 )) (( segid " " and resid 1314 and name HG3 )) 3.300 1.400 1.400 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.12130E-02 ppm1 1.950 ppm2 1.441 CV 1 ASSI { 2524} (( segid " " and resid 1314 and name HG2 )) (( segid " " and resid 1314 and name HG3 )) 2.100 0.500 0.500 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.47870E-02 ppm1 1.668 ppm2 1.431 CV 1 ASSI { 2526} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1320 and name H )) 4.200 4.200 1.800 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 1.360 ppm2 8.575 CV 1 OR { 2526} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1320 and name H )) ASSI { 2528} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1321 and name H )) 4.000 2.000 2.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.42901E-03 ppm1 1.376 ppm2 8.160 CV 1 OR { 2528} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1321 and name H )) ASSI { 2529} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1321 and name H )) 4.400 2.400 1.600 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.41667E-03 ppm1 1.354 ppm2 8.152 CV 1 ASSI { 2530} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1320 and name HA )) 3.000 1.100 1.100 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.15803E-02 ppm1 1.379 ppm2 3.813 CV 1 OR { 2530} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1320 and name HA )) ASSI { 2531} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1320 and name HE2 )) 3.500 1.500 1.500 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 1.381 ppm2 2.924 CV 1 OR { 2531} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1320 and name HE2 )) ASSI { 2532} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1320 and name HE3 )) 3.300 1.400 1.400 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 1.366 ppm2 2.861 CV 1 OR { 2532} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1320 and name HE3 )) ASSI { 2533} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1320 and name HB3 )) 2.900 1.000 1.000 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.17099E-02 ppm1 1.377 ppm2 2.118 CV 1 OR { 2533} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1320 and name HB3 )) ASSI { 2534} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1320 and name HB2 )) 2.900 1.100 1.100 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 1.374 ppm2 1.800 CV 1 OR { 2534} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1320 and name HB2 )) ASSI { 2535} (( segid " " and resid 1320 and name HG2 )) (( segid " " and resid 1320 and name HD2 )) 2.600 0.800 0.800 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.33364E-02 ppm1 1.371 ppm2 1.566 CV 1 OR { 2535} (( segid " " and resid 1320 and name HG3 )) (( segid " " and resid 1320 and name HD2 )) ASSI { 2536} (( segid " " and resid 1320 and name HB3 )) (( segid " " and resid 1320 and name HD2 )) 3.300 1.300 1.300 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 2.120 ppm2 1.559 CV 1 ASSI { 2537} (( segid " " and resid 1320 and name HB2 )) (( segid " " and resid 1320 and name HD2 )) 3.600 1.600 1.600 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.98764E-03 ppm1 1.800 ppm2 1.565 CV 1 ASSI { 2539} (( segid " " and resid 1306 and name HE2 )) (( segid " " and resid 1306 and name HD2 )) 2.500 0.800 0.800 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.47006E-02 ppm1 2.859 ppm2 1.753 CV 1 OR { 2539} (( segid " " and resid 1306 and name HE3 )) (( segid " " and resid 1306 and name HD3 )) OR { 2539} (( segid " " and resid 1306 and name HE3 )) (( segid " " and resid 1306 and name HD2 )) OR { 2539} (( segid " " and resid 1306 and name HE2 )) (( segid " " and resid 1306 and name HD3 )) ASSI { 2540} (( segid " " and resid 1320 and name HE3 )) (( segid " " and resid 1320 and name HD2 )) 2.600 0.900 0.900 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.34938E-02 ppm1 2.858 ppm2 1.568 CV 1 ASSI { 2541} (( segid " " and resid 1320 and name HE3 )) (( segid " " and resid 1320 and name HG2 )) 2.900 1.100 1.100 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.24907E-02 ppm1 2.858 ppm2 1.375 CV 1 ASSI { 2542} (( segid " " and resid 1320 and name HE2 )) (( segid " " and resid 1320 and name HB3 )) 3.700 1.700 1.700 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.67589E-03 ppm1 2.932 ppm2 2.118 CV 1 ASSI { 2543} (( segid " " and resid 1320 and name HE2 )) (( segid " " and resid 1320 and name HG2 )) 3.000 1.200 1.200 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.26697E-02 ppm1 2.931 ppm2 1.374 CV 1 ASSI { 2545} (( segid " " and resid 1320 and name HE3 )) ( segid " " and resid 1213 and name HD1%) 2.800 2.800 3.200 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.19321E-02 ppm1 2.859 ppm2 0.941 CV 1 ASSI { 2546} (( segid " " and resid 1320 and name HE2 )) ( segid " " and resid 1213 and name HD1%) 3.100 1.200 1.200 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 2.944 ppm2 0.940 CV 1 ASSI { 2547} (( segid " " and resid 1320 and name HE3 )) ( segid " " and resid 1317 and name HD2%) 3.300 1.300 1.300 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.86419E-03 ppm1 2.858 ppm2 0.867 CV 1 ASSI { 2548} (( segid " " and resid 1306 and name HE3 )) (( segid " " and resid 1303 and name HB2 )) 3.200 3.200 2.800 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.51543E-03 ppm1 2.859 ppm2 4.191 CV 1 ASSI { 2549} (( segid " " and resid 1306 and name HE2 )) (( segid " " and resid 1306 and name HA )) 4.300 2.300 1.700 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.61419E-03 ppm1 2.859 ppm2 4.047 CV 1 ASSI { 2550} (( segid " " and resid 1282 and name HG )) (( segid " " and resid 1282 and name H )) 4.200 2.200 1.800 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.71293E-03 ppm1 1.427 ppm2 8.649 CV 1 ASSI { 2551} (( segid " " and resid 1267 and name HG )) (( segid " " and resid 1268 and name H )) 4.000 2.000 2.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.66973E-03 ppm1 1.427 ppm2 8.439 CV 1 ASSI { 2552} (( segid " " and resid 1267 and name HG )) (( segid " " and resid 1267 and name H )) 3.700 1.700 1.700 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.90739E-03 ppm1 1.424 ppm2 7.803 CV 1 ASSI { 2553} (( segid " " and resid 1267 and name HG )) (( segid " " and resid 1267 and name HA )) 3.000 1.100 1.100 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 1.426 ppm2 3.836 CV 1 ASSI { 2554} (( segid " " and resid 1282 and name HG )) (( segid " " and resid 1282 and name HA )) 3.300 1.400 1.400 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.92902E-03 ppm1 1.429 ppm2 3.422 CV 1 ASSI { 2555} (( segid " " and resid 1267 and name HG )) (( segid " " and resid 1267 and name HB3 )) 2.700 0.900 0.900 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.25432E-02 ppm1 1.427 ppm2 1.806 CV 1 ASSI { 2556} (( segid " " and resid 1267 and name HG )) (( segid " " and resid 1267 and name HB2 )) 2.700 0.900 0.900 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.25741E-02 ppm1 1.426 ppm2 1.626 CV 1 ASSI { 2557} (( segid " " and resid 1282 and name HG )) (( segid " " and resid 1282 and name HB2 )) 3.300 1.400 1.400 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 1.436 ppm2 1.184 CV 1 ASSI { 2558} (( segid " " and resid 1282 and name HG )) ( segid " " and resid 1282 and name HD1%) 2.300 0.700 0.700 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.50524E-02 ppm1 1.428 ppm2 0.862 CV 1 ASSI { 2560} (( segid " " and resid 1267 and name HA )) ( segid " " and resid 1256 and name HD2%) 3.400 1.400 1.400 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.97223E-03 ppm1 3.840 ppm2 0.701 CV 1 ASSI { 2561} (( segid " " and resid 1210 and name HB3 )) (( segid " " and resid 1211 and name H )) 2.800 1.000 1.000 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.17315E-02 ppm1 2.784 ppm2 8.679 CV 1 ASSI { 2562} (( segid " " and resid 1210 and name HB2 )) (( segid " " and resid 1211 and name H )) 3.700 1.800 1.800 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.13488E-02 ppm1 2.611 ppm2 8.678 CV 1 ASSI { 2563} (( segid " " and resid 1210 and name HB2 )) (( segid " " and resid 1210 and name HA )) 2.500 0.800 0.800 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.39969E-02 ppm1 2.612 ppm2 4.484 CV 1 ASSI { 2566} (( segid " " and resid 1210 and name HB2 )) (( segid " " and resid 1210 and name HB3 )) 1.800 0.400 0.400 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.13176E-01 ppm1 2.612 ppm2 2.784 CV 1 ASSI { 2568} (( segid " " and resid 1210 and name HB2 )) (( segid " " and resid 1213 and name HB2 )) 4.300 2.300 1.700 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.53394E-03 ppm1 2.612 ppm2 1.804 CV 1 ASSI { 2571} (( segid " " and resid 1229 and name HB2 )) (( segid " " and resid 1229 and name HA )) 2.600 0.800 0.800 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.55586E-02 ppm1 2.333 ppm2 4.688 CV 1 ASSI { 2572} (( segid " " and resid 1229 and name HB2 )) (( segid " " and resid 1230 and name HD2 )) 2.900 2.900 3.100 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 2.333 ppm2 3.782 CV 1 ASSI { 2573} (( segid " " and resid 1229 and name HB2 )) (( segid " " and resid 1230 and name HD3 )) 3.500 1.500 1.500 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 2.333 ppm2 3.623 CV 1 ASSI { 2574} (( segid " " and resid 1229 and name HB2 )) (( segid " " and resid 1229 and name HD2 )) 4.000 2.000 2.000 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.87035E-03 ppm1 2.331 ppm2 3.532 CV 1 ASSI { 2575} (( segid " " and resid 1229 and name HB3 )) (( segid " " and resid 1229 and name HD3 )) 3.300 1.400 1.400 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.11142E-02 ppm1 1.929 ppm2 3.838 CV 1 ASSI { 2576} (( segid " " and resid 1229 and name HB3 )) (( segid " " and resid 1230 and name HD3 )) 3.600 1.600 1.600 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.20648E-02 ppm1 1.930 ppm2 3.621 CV 1 ASSI { 2577} (( segid " " and resid 1229 and name HB3 )) (( segid " " and resid 1229 and name HD2 )) 3.800 1.800 1.800 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.11913E-02 ppm1 1.930 ppm2 3.537 CV 1 ASSI { 2578} (( segid " " and resid 1229 and name HB3 )) (( segid " " and resid 1229 and name HA )) 2.500 0.800 0.800 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.31080E-02 ppm1 1.930 ppm2 4.689 CV 1 ASSI { 2580} ( segid " " and resid 1349 and name HD1%) ( segid " " and resid 1281 and name HE% ) 2.900 1.000 1.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.27716E-02 ppm1 1.052 ppm2 6.987 CV 1 ASSI { 2581} (( segid " " and resid 1207 and name HG3 )) (( segid " " and resid 1207 and name HA )) 3.000 1.200 1.200 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 1.605 ppm2 4.197 CV 1 ASSI { 2582} ( segid " " and resid 1227 and name HD2%) (( segid " " and resid 1227 and name HA )) 2.900 1.000 1.000 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.22901E-02 ppm1 0.903 ppm2 4.400 CV 1 ASSI { 2583} ( segid " " and resid 1227 and name HD2%) (( segid " " and resid 1227 and name HB3 )) 2.300 0.600 0.600 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.11472E-01 ppm1 0.905 ppm2 1.563 CV 1 OR { 2583} ( segid " " and resid 1227 and name HD2%) (( segid " " and resid 1227 and name HB2 )) ASSI { 2584} ( segid " " and resid 1317 and name HD2%) (( segid " " and resid 1317 and name HB3 )) 2.300 0.700 0.700 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.70276E-02 ppm1 0.877 ppm2 1.472 CV 1 ASSI { 2585} ( segid " " and resid 1317 and name HD2%) (( segid " " and resid 1317 and name HB2 )) 3.100 1.200 1.200 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.51759E-02 ppm1 0.877 ppm2 1.867 CV 1 ASSI { 2586} ( segid " " and resid 1317 and name HD2%) (( segid " " and resid 1317 and name HG )) 2.200 0.600 0.600 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.84197E-02 ppm1 0.877 ppm2 1.753 CV 1 ASSI { 2589} ( segid " " and resid 1317 and name HD2%) (( segid " " and resid 1317 and name HA )) 2.100 0.500 0.500 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.12645E-01 ppm1 0.877 ppm2 4.028 CV 1 ASSI { 2590} ( segid " " and resid 1317 and name HD2%) (( segid " " and resid 1317 and name H )) 3.300 1.400 1.400 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.26142E-02 ppm1 0.877 ppm2 8.624 CV 1 ASSI { 2591} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1307 and name H )) 4.300 2.300 1.700 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.53394E-03 ppm1 1.065 ppm2 8.137 CV 1 ASSI { 2592} (( segid " " and resid 1308 and name HB )) ( segid " " and resid 1281 and name HE% ) 4.500 2.500 1.500 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.46296E-03 ppm1 2.085 ppm2 6.987 CV 1 ASSI { 2593} (( segid " " and resid 1298 and name HB2 )) (( segid " " and resid 1295 and name HA )) 2.600 0.900 0.900 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.33055E-02 ppm1 2.063 ppm2 4.025 CV 1 ASSI { 2595} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1304 and name HB2 )) 3.900 1.900 1.900 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.55555E-03 ppm1 1.060 ppm2 3.090 CV 1 ASSI { 2596} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1346 and name HG13)) 4.000 2.000 2.000 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 1.061 ppm2 1.855 CV 1 ASSI { 2597} (( segid " " and resid 1298 and name HB2 )) (( segid " " and resid 1298 and name HG2 )) 3.200 1.300 1.300 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 2.059 ppm2 1.737 CV 1 ASSI { 2598} (( segid " " and resid 1298 and name HB2 )) ( segid " " and resid 1292 and name HB% ) 3.100 1.200 1.200 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.92286E-03 ppm1 2.061 ppm2 1.524 CV 1 ASSI { 2599} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1346 and name HG12)) 3.500 1.500 1.500 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.17006E-02 ppm1 1.062 ppm2 0.458 CV 1 ASSI { 2600} (( segid " " and resid 1350 and name HG12)) (( segid " " and resid 1350 and name H )) 2.500 0.800 0.800 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.32994E-02 ppm1 1.573 ppm2 8.404 CV 1 OR { 2600} (( segid " " and resid 1350 and name HG13)) (( segid " " and resid 1350 and name H )) ASSI { 2601} (( segid " " and resid 1350 and name HG12)) (( segid " " and resid 1349 and name H )) 4.400 2.400 1.600 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.36420E-03 ppm1 1.569 ppm2 7.597 CV 1 ASSI { 2602} (( segid " " and resid 1350 and name HG12)) (( segid " " and resid 1347 and name HA )) 2.900 1.100 1.100 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.18611E-02 ppm1 1.574 ppm2 4.499 CV 1 OR { 2602} (( segid " " and resid 1350 and name HG13)) (( segid " " and resid 1347 and name HA )) ASSI { 2604} (( segid " " and resid 1350 and name HG12)) (( segid " " and resid 1350 and name HB )) 2.600 0.800 0.800 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.31234E-02 ppm1 1.574 ppm2 2.204 CV 1 OR { 2604} (( segid " " and resid 1350 and name HG13)) (( segid " " and resid 1350 and name HB )) ASSI { 2606} (( segid " " and resid 1204 and name HB2 )) (( segid " " and resid 1204 and name HA )) 2.800 1.000 1.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.30401E-02 ppm1 3.199 ppm2 4.523 CV 1 ASSI { 2607} (( segid " " and resid 1204 and name HA )) ( segid " " and resid 1204 and name HD% ) 3.000 1.100 1.100 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 4.524 ppm2 7.342 CV 1 ASSI { 2608} (( segid " " and resid 1204 and name HB3 )) ( segid " " and resid 1204 and name HD% ) 3.000 1.100 1.100 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 3.266 ppm2 7.343 CV 1 ASSI { 2609} (( segid " " and resid 1204 and name HB2 )) ( segid " " and resid 1204 and name HD% ) 3.000 1.100 1.100 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 3.199 ppm2 7.342 CV 1 ASSI { 2610} (( segid " " and resid 1204 and name HB3 )) (( segid " " and resid 1204 and name H )) 3.200 1.300 1.300 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.16142E-02 ppm1 3.264 ppm2 8.302 CV 1 ASSI { 2611} (( segid " " and resid 1204 and name HB2 )) (( segid " " and resid 1204 and name H )) 3.100 1.200 1.200 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 3.200 ppm2 8.302 CV 1 ASSI { 2612} (( segid " " and resid 1204 and name HB3 )) (( segid " " and resid 1205 and name H )) 3.600 3.600 2.400 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 3.266 ppm2 8.021 CV 1 ASSI { 2613} (( segid " " and resid 1204 and name HB2 )) (( segid " " and resid 1205 and name H )) 3.700 1.700 1.700 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.63891E-03 ppm1 3.203 ppm2 8.022 CV 1 ASSI { 2614} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1204 and name H )) 3.000 1.100 1.100 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.19043E-02 ppm1 4.524 ppm2 8.302 CV 1 ASSI { 2615} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1207 and name HB3 )) 2.900 1.000 1.000 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.18580E-02 ppm1 4.524 ppm2 1.992 CV 1 ASSI { 2616} (( segid " " and resid 1204 and name HA )) (( segid " " and resid 1207 and name HB2 )) 3.200 1.300 1.300 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 4.523 ppm2 1.921 CV 1 ASSI { 2617} (( segid " " and resid 1278 and name HB3 )) ( segid " " and resid 1278 and name HD% ) 2.600 0.900 0.900 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.25216E-02 ppm1 3.130 ppm2 7.134 CV 1 ASSI { 2618} (( segid " " and resid 1278 and name HB2 )) ( segid " " and resid 1278 and name HD% ) 2.700 0.900 0.900 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.26512E-02 ppm1 2.630 ppm2 7.134 CV 1 ASSI { 2619} (( segid " " and resid 1278 and name HB2 )) (( segid " " and resid 1279 and name H )) 4.200 2.200 1.800 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 2.630 ppm2 7.645 CV 1 ASSI { 2621} (( segid " " and resid 1255 and name HG3 )) (( segid " " and resid 1255 and name H )) 3.500 1.500 1.500 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 2.322 ppm2 8.736 CV 1 ASSI { 2622} (( segid " " and resid 1255 and name HG3 )) (( segid " " and resid 1256 and name H )) 4.900 3.100 1.100 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.40432E-03 ppm1 2.327 ppm2 7.899 CV 1 ASSI { 2623} (( segid " " and resid 1255 and name HG3 )) (( segid " " and resid 1255 and name HA )) 3.000 1.100 1.100 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.42839E-02 ppm1 2.323 ppm2 4.060 CV 1 ASSI { 2624} (( segid " " and resid 1255 and name HG3 )) (( segid " " and resid 1255 and name HG2 )) 1.900 0.400 0.400 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.10268E-01 ppm1 2.319 ppm2 2.566 CV 1 ASSI { 2626} (( segid " " and resid 1255 and name HG3 )) (( segid " " and resid 1255 and name HB2 )) 2.300 0.600 0.600 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.71759E-02 ppm1 2.324 ppm2 2.140 CV 1 OR { 2626} (( segid " " and resid 1255 and name HG3 )) (( segid " " and resid 1255 and name HB3 )) ASSI { 2629} (( segid " " and resid 1334 and name HB3 )) (( segid " " and resid 1331 and name HB3 )) 3.500 3.500 2.500 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.76853E-03 ppm1 2.139 ppm2 1.401 CV 1 ASSI { 2634} (( segid " " and resid 1330 and name HB2 )) (( segid " " and resid 1331 and name HA )) 4.000 2.000 2.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.47839E-03 ppm1 2.694 ppm2 4.134 CV 1 ASSI { 2635} (( segid " " and resid 1244 and name HG2 )) (( segid " " and resid 1244 and name H )) 3.500 1.500 1.500 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.25956E-02 ppm1 2.427 ppm2 7.942 CV 1 ASSI { 2636} (( segid " " and resid 1244 and name HG3 )) (( segid " " and resid 1244 and name H )) 3.400 1.500 1.500 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.22222E-02 ppm1 2.294 ppm2 7.941 CV 1 ASSI { 2637} (( segid " " and resid 1244 and name HG3 )) (( segid " " and resid 1245 and name H )) 3.700 1.800 1.800 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.97531E-03 ppm1 2.292 ppm2 8.480 CV 1 ASSI { 2638} (( segid " " and resid 1244 and name HG2 )) (( segid " " and resid 1245 and name H )) 4.200 2.200 1.800 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.53394E-03 ppm1 2.423 ppm2 8.478 CV 1 ASSI { 2639} (( segid " " and resid 1244 and name HG2 )) (( segid " " and resid 1244 and name HA )) 3.100 1.200 1.200 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.23642E-02 ppm1 2.427 ppm2 4.165 CV 1 ASSI { 2640} (( segid " " and resid 1244 and name HG3 )) (( segid " " and resid 1244 and name HA )) 2.700 0.900 0.900 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.32037E-02 ppm1 2.293 ppm2 4.166 CV 1 ASSI { 2641} (( segid " " and resid 1244 and name HG3 )) (( segid " " and resid 1245 and name HA )) 4.000 2.000 2.000 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.43827E-03 ppm1 2.299 ppm2 4.309 CV 1 ASSI { 2642} (( segid " " and resid 1244 and name HG2 )) (( segid " " and resid 1244 and name HB3 )) 2.600 0.800 0.800 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.43148E-02 ppm1 2.428 ppm2 2.130 CV 1 OR { 2642} (( segid " " and resid 1244 and name HG2 )) (( segid " " and resid 1244 and name HB2 )) ASSI { 2645} (( segid " " and resid 1244 and name HG3 )) (( segid " " and resid 1244 and name HB2 )) 2.200 0.600 0.600 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.10855E-01 ppm1 2.293 ppm2 2.128 CV 1 OR { 2645} (( segid " " and resid 1244 and name HG3 )) (( segid " " and resid 1244 and name HB3 )) ASSI { 2646} (( segid " " and resid 1244 and name HG3 )) (( segid " " and resid 1244 and name HG2 )) 1.900 0.400 0.400 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.12645E-01 ppm1 2.290 ppm2 2.414 CV 1 ASSI { 2647} (( segid " " and resid 1287 and name HA )) (( segid " " and resid 1287 and name H )) 2.700 0.900 0.900 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.31512E-02 ppm1 4.154 ppm2 7.490 CV 1 ASSI { 2650} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1276 and name H )) 3.300 1.300 1.300 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 4.155 ppm2 7.685 CV 1 ASSI { 2651} (( segid " " and resid 1287 and name HB2 )) (( segid " " and resid 1288 and name H )) 4.100 2.100 1.900 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 2.137 ppm2 7.751 CV 1 ASSI { 2652} (( segid " " and resid 1287 and name HB3 )) (( segid " " and resid 1288 and name H )) 2.800 0.900 0.900 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 2.033 ppm2 7.752 CV 1 ASSI { 2654} (( segid " " and resid 1287 and name HB3 )) (( segid " " and resid 1287 and name H )) 2.700 0.900 0.900 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.24691E-02 ppm1 2.033 ppm2 7.489 CV 1 ASSI { 2655} (( segid " " and resid 1287 and name HG2 )) (( segid " " and resid 1288 and name H )) 4.200 2.200 1.800 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.48456E-03 ppm1 2.363 ppm2 7.751 CV 1 ASSI { 2656} (( segid " " and resid 1287 and name HG3 )) (( segid " " and resid 1288 and name H )) 4.200 2.200 1.800 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.51852E-03 ppm1 2.239 ppm2 7.754 CV 1 ASSI { 2657} (( segid " " and resid 1287 and name HG2 )) (( segid " " and resid 1287 and name H )) 4.000 2.000 2.000 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 2.360 ppm2 7.492 CV 1 ASSI { 2658} (( segid " " and resid 1287 and name HG3 )) (( segid " " and resid 1287 and name H )) 4.000 2.000 2.000 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.13025E-02 ppm1 2.243 ppm2 7.488 CV 1 ASSI { 2659} (( segid " " and resid 1287 and name HG2 )) (( segid " " and resid 1287 and name HA )) 3.400 1.400 1.400 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 2.360 ppm2 4.152 CV 1 ASSI { 2661} (( segid " " and resid 1287 and name HG2 )) (( segid " " and resid 1284 and name HA )) 3.700 1.700 1.700 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 2.361 ppm2 4.029 CV 1 ASSI { 2663} (( segid " " and resid 1287 and name HG2 )) (( segid " " and resid 1287 and name HG3 )) 1.800 0.400 0.400 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.14710E-01 ppm1 2.359 ppm2 2.245 CV 1 ASSI { 2664} (( segid " " and resid 1287 and name HG2 )) (( segid " " and resid 1287 and name HB2 )) 2.800 0.900 0.900 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.32530E-02 ppm1 2.359 ppm2 2.139 CV 1 ASSI { 2665} (( segid " " and resid 1287 and name HG2 )) (( segid " " and resid 1287 and name HB3 )) 2.500 0.800 0.800 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.31512E-02 ppm1 2.359 ppm2 2.034 CV 1 ASSI { 2666} (( segid " " and resid 1287 and name HG3 )) (( segid " " and resid 1287 and name HB2 )) 2.600 0.900 0.900 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.36790E-02 ppm1 2.243 ppm2 2.139 CV 1 ASSI { 2669} (( segid " " and resid 1287 and name HB3 )) (( segid " " and resid 1287 and name HG3 )) 2.500 0.800 0.800 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.58209E-02 ppm1 2.036 ppm2 2.243 CV 1 ASSI { 2670} (( segid " " and resid 1287 and name HG3 )) ( segid " " and resid 1238 and name HB% ) 3.600 1.600 1.600 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.84261E-03 ppm1 2.244 ppm2 1.393 CV 1 ASSI { 2671} (( segid " " and resid 1287 and name HG2 )) ( segid " " and resid 1238 and name HB% ) 3.400 1.500 1.500 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.73765E-03 ppm1 2.361 ppm2 1.393 CV 1 ASSI { 2675} (( segid " " and resid 1283 and name HG3 )) (( segid " " and resid 1283 and name H )) 2.400 0.700 0.700 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.37130E-02 ppm1 2.458 ppm2 7.852 CV 1 ASSI { 2676} (( segid " " and resid 1283 and name HG3 )) (( segid " " and resid 1284 and name H )) 4.200 2.200 1.800 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.65740E-03 ppm1 2.459 ppm2 7.428 CV 1 ASSI { 2677} (( segid " " and resid 1296 and name HG3 )) (( segid " " and resid 1296 and name H )) 4.000 2.000 2.000 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.63891E-03 ppm1 2.461 ppm2 8.965 CV 1 ASSI { 2678} (( segid " " and resid 1296 and name HG2 )) (( segid " " and resid 1296 and name H )) 3.600 1.600 1.600 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.10154E-02 ppm1 2.286 ppm2 8.965 CV 1 ASSI { 2679} (( segid " " and resid 1283 and name HG3 )) (( segid " " and resid 1280 and name HA )) 3.400 1.500 1.500 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.77777E-03 ppm1 2.460 ppm2 3.907 CV 1 ASSI { 2681} (( segid " " and resid 1283 and name HG2 )) (( segid " " and resid 1283 and name HG3 )) 1.900 0.400 0.400 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.88762E-02 ppm1 2.201 ppm2 2.455 CV 1 ASSI { 2682} (( segid " " and resid 1283 and name HG2 )) (( segid " " and resid 1283 and name HB2 )) 2.800 1.000 1.000 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.46080E-02 ppm1 2.209 ppm2 2.106 CV 1 ASSI { 2683} (( segid " " and resid 1283 and name HG2 )) (( segid " " and resid 1283 and name HB3 )) 2.500 0.800 0.800 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.30957E-02 ppm1 2.210 ppm2 2.003 CV 1 ASSI { 2685} (( segid " " and resid 1296 and name HG3 )) (( segid " " and resid 1296 and name HB2 )) 2.500 0.800 0.800 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.49598E-02 ppm1 2.461 ppm2 1.988 CV 1 ASSI { 2687} (( segid " " and resid 1283 and name HA )) (( segid " " and resid 1283 and name HG2 )) 2.400 0.700 0.700 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.47346E-02 ppm1 3.810 ppm2 2.198 CV 1 ASSI { 2688} (( segid " " and resid 1283 and name HG3 )) ( segid " " and resid 1223 and name HD1%) 3.100 1.200 1.200 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.14630E-02 ppm1 2.457 ppm2 0.924 CV 1 OR { 2688} (( segid " " and resid 1283 and name HG3 )) ( segid " " and resid 1223 and name HD2%) ASSI { 2690} (( segid " " and resid 1283 and name HB3 )) ( segid " " and resid 1223 and name HD1%) 4.500 2.500 1.500 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.48765E-03 ppm1 2.001 ppm2 0.924 CV 1 OR { 2690} (( segid " " and resid 1283 and name HB3 )) ( segid " " and resid 1223 and name HD2%) ASSI { 2691} (( segid " " and resid 1237 and name HG3 )) (( segid " " and resid 1237 and name H )) 3.200 1.300 1.300 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.29383E-02 ppm1 2.281 ppm2 7.792 CV 1 OR { 2691} (( segid " " and resid 1237 and name HG2 )) (( segid " " and resid 1237 and name H )) ASSI { 2692} (( segid " " and resid 1237 and name HG3 )) (( segid " " and resid 1234 and name H )) 3.700 1.700 1.700 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.82714E-03 ppm1 2.285 ppm2 8.082 CV 1 OR { 2692} (( segid " " and resid 1237 and name HG2 )) (( segid " " and resid 1234 and name H )) ASSI { 2693} (( segid " " and resid 1237 and name HG3 )) (( segid " " and resid 1238 and name H )) 3.800 1.900 1.900 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.78085E-03 ppm1 2.283 ppm2 7.999 CV 1 OR { 2693} (( segid " " and resid 1237 and name HG2 )) (( segid " " and resid 1238 and name H )) ASSI { 2694} (( segid " " and resid 1296 and name HG2 )) (( segid " " and resid 1296 and name HA )) 2.800 1.000 1.000 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.38703E-02 ppm1 2.286 ppm2 4.117 CV 1 ASSI { 2696} (( segid " " and resid 1296 and name HG2 )) (( segid " " and resid 1296 and name HB3 )) 2.400 0.700 0.700 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.57685E-02 ppm1 2.285 ppm2 2.088 CV 1 ASSI { 2698} (( segid " " and resid 1264 and name HD2 )) (( segid " " and resid 1264 and name HG2 )) 2.800 1.000 1.000 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 4.006 ppm2 2.305 CV 1 ASSI { 2699} (( segid " " and resid 1264 and name HD2 )) (( segid " " and resid 1264 and name HG3 )) 3.400 1.500 1.500 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 4.004 ppm2 2.051 CV 1 ASSI { 2700} (( segid " " and resid 1264 and name HD3 )) (( segid " " and resid 1264 and name HG3 )) 2.800 1.000 1.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 3.945 ppm2 2.050 CV 1 ASSI { 2701} (( segid " " and resid 1264 and name HD3 )) (( segid " " and resid 1264 and name HG2 )) 3.200 1.300 1.300 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.13025E-02 ppm1 3.943 ppm2 2.301 CV 1 ASSI { 2702} (( segid " " and resid 1264 and name HD3 )) ( segid " " and resid 1263 and name HG2%) 4.500 2.500 1.500 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.67589E-03 ppm1 3.943 ppm2 1.391 CV 1 ASSI { 2703} (( segid " " and resid 1264 and name HD2 )) ( segid " " and resid 1263 and name HG2%) 4.300 2.300 1.700 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.67903E-03 ppm1 4.004 ppm2 1.386 CV 1 ASSI { 2704} (( segid " " and resid 1264 and name HD3 )) (( segid " " and resid 1264 and name HA )) 3.900 1.900 1.900 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.50617E-03 ppm1 3.947 ppm2 4.313 CV 1 ASSI { 2705} (( segid " " and resid 1264 and name HD2 )) (( segid " " and resid 1264 and name HA )) 3.800 1.800 1.800 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.66665E-03 ppm1 4.007 ppm2 4.315 CV 1 ASSI { 2707} (( segid " " and resid 1264 and name HD3 )) (( segid " " and resid 1263 and name HA )) 2.300 0.700 0.700 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.30802E-02 ppm1 3.946 ppm2 4.864 CV 1 ASSI { 2708} (( segid " " and resid 1264 and name HD2 )) (( segid " " and resid 1263 and name HB )) 2.900 1.000 1.000 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.21080E-02 ppm1 4.004 ppm2 4.785 CV 1 ASSI { 2709} (( segid " " and resid 1264 and name HD3 )) (( segid " " and resid 1263 and name HB )) 3.300 1.400 1.400 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 3.944 ppm2 4.785 CV 1 ASSI { 2710} (( segid " " and resid 1264 and name HD2 )) (( segid " " and resid 1265 and name H )) 3.500 1.500 1.500 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.36728E-03 ppm1 4.006 ppm2 8.118 CV 1 ASSI { 2711} (( segid " " and resid 1264 and name HD3 )) (( segid " " and resid 1265 and name H )) 4.500 2.500 1.500 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.41975E-03 ppm1 3.948 ppm2 8.114 CV 1 ASSI { 2712} (( segid " " and resid 1326 and name HD3 )) (( segid " " and resid 1326 and name HG3 )) 2.500 0.800 0.800 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.41389E-02 ppm1 3.476 ppm2 1.993 CV 1 OR { 2712} (( segid " " and resid 1326 and name HD3 )) (( segid " " and resid 1326 and name HG2 )) ASSI { 2715} (( segid " " and resid 1229 and name HD2 )) ( segid " " and resid 1228 and name HD2%) 3.100 1.200 1.200 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.23796E-02 ppm1 3.534 ppm2 0.925 CV 1 OR { 2715} (( segid " " and resid 1229 and name HD2 )) ( segid " " and resid 1228 and name HD1%) ASSI { 2717} (( segid " " and resid 1326 and name HD2 )) (( segid " " and resid 1326 and name HD3 )) 1.800 0.400 0.400 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.12633E-01 ppm1 3.756 ppm2 3.477 CV 1 ASSI { 2723} (( segid " " and resid 1326 and name HD2 )) (( segid " " and resid 1325 and name H )) 3.700 1.700 1.700 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 3.756 ppm2 7.428 CV 1 ASSI { 2724} (( segid " " and resid 1326 and name HD3 )) (( segid " " and resid 1325 and name H )) 2.800 0.900 0.900 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.21265E-02 ppm1 3.477 ppm2 7.429 CV 1 ASSI { 2725} (( segid " " and resid 1326 and name HD2 )) (( segid " " and resid 1327 and name H )) 3.100 1.200 1.200 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 3.756 ppm2 8.000 CV 1 ASSI { 2726} (( segid " " and resid 1326 and name HD3 )) (( segid " " and resid 1327 and name H )) 4.000 2.000 2.000 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.69136E-03 ppm1 3.474 ppm2 8.001 CV 1 ASSI { 2728} (( segid " " and resid 1293 and name HD2 )) (( segid " " and resid 1292 and name HA )) 2.500 0.800 0.800 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.57314E-02 ppm1 3.676 ppm2 4.416 CV 1 ASSI { 2730} (( segid " " and resid 1293 and name HA )) (( segid " " and resid 1293 and name HD3 )) 3.400 1.500 1.500 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 4.446 ppm2 3.600 CV 1 ASSI { 2731} (( segid " " and resid 1230 and name HD2 )) (( segid " " and resid 1230 and name HD3 )) 1.700 0.400 0.500 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.15815E-01 ppm1 3.777 ppm2 3.621 CV 1 ASSI { 2733} (( segid " " and resid 1293 and name HA )) (( segid " " and resid 1293 and name HB3 )) 2.300 0.600 0.600 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.67252E-02 ppm1 4.446 ppm2 2.272 CV 1 ASSI { 2736} (( segid " " and resid 1230 and name HD3 )) (( segid " " and resid 1230 and name HG3 )) 2.300 0.700 0.700 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.66327E-02 ppm1 3.621 ppm2 1.992 CV 1 OR { 2736} (( segid " " and resid 1230 and name HD3 )) (( segid " " and resid 1230 and name HG2 )) ASSI { 2737} (( segid " " and resid 1293 and name HD2 )) (( segid " " and resid 1293 and name HG2 )) 2.500 0.800 0.800 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.27839E-02 ppm1 3.676 ppm2 2.062 CV 1 ASSI { 2738} (( segid " " and resid 1293 and name HD3 )) (( segid " " and resid 1293 and name HG2 )) 3.100 1.200 1.200 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.22901E-02 ppm1 3.603 ppm2 2.065 CV 1 ASSI { 2740} (( segid " " and resid 1293 and name HD3 )) (( segid " " and resid 1293 and name HG3 )) 2.600 0.900 0.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.20185E-02 ppm1 3.602 ppm2 1.958 CV 1 ASSI { 2741} (( segid " " and resid 1293 and name HD2 )) (( segid " " and resid 1293 and name HB3 )) 3.900 1.900 1.900 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.10093E-02 ppm1 3.677 ppm2 2.272 CV 1 ASSI { 2742} (( segid " " and resid 1293 and name HD3 )) (( segid " " and resid 1293 and name HB3 )) 3.500 1.500 1.500 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 3.602 ppm2 2.274 CV 1 ASSI { 2744} (( segid " " and resid 1293 and name HD2 )) (( segid " " and resid 1297 and name HB2 )) 3.200 1.300 1.300 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.74689E-03 ppm1 3.675 ppm2 2.603 CV 1 ASSI { 2745} (( segid " " and resid 1293 and name HD2 )) ( segid " " and resid 1292 and name HB% ) 3.100 1.200 1.200 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 3.676 ppm2 1.524 CV 1 ASSI { 2746} (( segid " " and resid 1293 and name HD3 )) ( segid " " and resid 1292 and name HB% ) 4.100 2.100 1.900 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 3.604 ppm2 1.517 CV 1 ASSI { 2747} (( segid " " and resid 1229 and name HD2 )) (( segid " " and resid 1229 and name HD3 )) 1.700 0.400 0.500 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.17969E-01 ppm1 3.534 ppm2 3.850 CV 1 ASSI { 2750} (( segid " " and resid 1229 and name HD3 )) (( segid " " and resid 1228 and name HA )) 2.200 0.600 0.600 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.56790E-02 ppm1 3.850 ppm2 4.624 CV 1 ASSI { 2752} (( segid " " and resid 1229 and name HD3 )) (( segid " " and resid 1229 and name HB2 )) 4.100 2.200 1.900 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.83331E-03 ppm1 3.851 ppm2 2.333 CV 1 ASSI { 2754} (( segid " " and resid 1229 and name HD2 )) (( segid " " and resid 1229 and name HG2 )) 2.400 0.700 0.700 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.47314E-02 ppm1 3.533 ppm2 2.014 CV 1 OR { 2754} (( segid " " and resid 1229 and name HD2 )) (( segid " " and resid 1229 and name HG3 )) ASSI { 2755} (( segid " " and resid 1229 and name HD3 )) (( segid " " and resid 1228 and name HB3 )) 3.500 1.500 1.500 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.18735E-02 ppm1 3.850 ppm2 1.518 CV 1 ASSI { 2757} (( segid " " and resid 1203 and name HG3 )) (( segid " " and resid 1203 and name HD3 )) 2.600 0.800 0.800 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 1.929 ppm2 3.797 CV 1 ASSI { 2758} (( segid " " and resid 1203 and name HG3 )) (( segid " " and resid 1203 and name HD2 )) 2.800 1.000 1.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.45339E-02 ppm1 1.930 ppm2 3.901 CV 1 ASSI { 2759} (( segid " " and resid 1203 and name HG2 )) (( segid " " and resid 1203 and name HD2 )) 2.600 0.800 0.800 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.24444E-02 ppm1 1.710 ppm2 3.904 CV 1 ASSI { 2761} (( segid " " and resid 1203 and name HG3 )) (( segid " " and resid 1203 and name HB2 )) 3.000 1.100 1.100 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 1.932 ppm2 2.202 CV 1 ASSI { 2763} (( segid " " and resid 1203 and name HD3 )) (( segid " " and resid 1203 and name HB2 )) 4.100 2.100 1.900 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.90123E-03 ppm1 3.799 ppm2 2.202 CV 1 ASSI { 2764} (( segid " " and resid 1203 and name HG2 )) (( segid " " and resid 1203 and name HB2 )) 2.800 1.000 1.000 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 1.711 ppm2 2.204 CV 1 ASSI { 2765} (( segid " " and resid 1203 and name HG3 )) (( segid " " and resid 1203 and name HG2 )) 2.000 0.500 0.500 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.64164E-02 ppm1 1.933 ppm2 1.704 CV 1 ASSI { 2766} (( segid " " and resid 1203 and name HG3 )) (( segid " " and resid 1203 and name HA )) 3.600 1.600 1.600 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.16420E-02 ppm1 1.931 ppm2 4.353 CV 1 ASSI { 2767} (( segid " " and resid 1203 and name HG2 )) (( segid " " and resid 1203 and name HA )) 4.000 2.000 2.000 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 1.711 ppm2 4.351 CV 1 ASSI { 2768} (( segid " " and resid 1203 and name HG2 )) (( segid " " and resid 1202 and name HA )) 4.800 2.900 1.200 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.62960E-03 ppm1 1.709 ppm2 4.940 CV 1 ASSI { 2769} (( segid " " and resid 1203 and name HG3 )) (( segid " " and resid 1202 and name HA )) 4.700 2.700 1.300 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.78394E-03 ppm1 1.931 ppm2 4.942 CV 1 ASSI { 2770} (( segid " " and resid 1291 and name HG2 )) (( segid " " and resid 1291 and name HE21)) 3.400 1.400 1.400 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.77777E-03 ppm1 2.214 ppm2 6.312 CV 1 ASSI { 2771} (( segid " " and resid 1291 and name HG2 )) (( segid " " and resid 1291 and name HE22)) 3.600 1.600 1.600 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.16852E-02 ppm1 2.216 ppm2 7.166 CV 1 ASSI { 2772} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1329 and name HA )) 3.700 1.800 1.800 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 3.001 ppm2 4.327 CV 1 OR { 2772} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1329 and name HA )) ASSI { 2773} (( segid " " and resid 1230 and name HD3 )) (( segid " " and resid 1229 and name HA )) 2.100 0.600 0.600 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.71049E-02 ppm1 3.621 ppm2 4.688 CV 1 ASSI { 2774} (( segid " " and resid 1230 and name HD3 )) (( segid " " and resid 1230 and name HA )) 3.900 1.900 1.900 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.43827E-03 ppm1 3.624 ppm2 4.514 CV 1 ASSI { 2775} (( segid " " and resid 1310 and name HB2 )) (( segid " " and resid 1306 and name HA )) 3.300 1.400 1.400 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 2.290 ppm2 4.041 CV 1 ASSI { 2776} (( segid " " and resid 1230 and name HD2 )) (( segid " " and resid 1229 and name HA )) 2.400 0.700 0.700 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.81452E-02 ppm1 3.776 ppm2 4.688 CV 1 ASSI { 2779} (( segid " " and resid 1300 and name HB2 )) (( segid " " and resid 1300 and name H )) 2.600 0.800 0.800 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.35555E-02 ppm1 2.272 ppm2 7.859 CV 1 ASSI { 2780} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1209 and name H )) 3.000 1.100 1.100 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 4.201 ppm2 8.256 CV 1 ASSI { 2781} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1208 and name H )) 3.100 1.200 1.200 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.16142E-02 ppm1 4.197 ppm2 8.113 CV 1 ASSI { 2782} (( segid " " and resid 1300 and name HA )) (( segid " " and resid 1300 and name H )) 2.600 0.800 0.800 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.42345E-02 ppm1 4.208 ppm2 7.860 CV 1 ASSI { 2783} (( segid " " and resid 1258 and name HG3 )) (( segid " " and resid 1258 and name H )) 2.600 0.900 0.900 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.26605E-02 ppm1 2.472 ppm2 8.176 CV 1 ASSI { 2784} (( segid " " and resid 1348 and name HG2 )) (( segid " " and resid 1348 and name H )) 3.200 1.300 1.300 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.17160E-02 ppm1 2.521 ppm2 8.093 CV 1 ASSI { 2785} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1300 and name H )) 3.500 1.600 1.600 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.25956E-02 ppm1 2.519 ppm2 7.860 CV 1 OR { 2785} (( segid " " and resid 1300 and name HG2 )) (( segid " " and resid 1300 and name H )) ASSI { 2786} (( segid " " and resid 1276 and name HB3 )) (( segid " " and resid 1276 and name H )) 2.600 0.900 0.900 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.29166E-02 ppm1 2.281 ppm2 7.682 CV 1 ASSI { 2788} (( segid " " and resid 1276 and name HG3 )) (( segid " " and resid 1276 and name HE21)) 3.000 1.100 1.100 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.14722E-02 ppm1 2.474 ppm2 7.482 CV 1 OR { 2788} (( segid " " and resid 1276 and name HG2 )) (( segid " " and resid 1276 and name HE21)) ASSI { 2789} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1304 and name HD21)) 4.500 2.500 1.500 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.80557E-03 ppm1 2.531 ppm2 7.207 CV 1 ASSI { 2790} (( segid " " and resid 1300 and name HG2 )) (( segid " " and resid 1304 and name HD22)) 3.200 1.300 1.300 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.79318E-03 ppm1 2.527 ppm2 7.115 CV 1 OR { 2790} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1304 and name HD22)) ASSI { 2791} (( segid " " and resid 1300 and name HG2 )) (( segid " " and resid 1300 and name HE22)) 4.000 2.000 2.000 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.85186E-03 ppm1 2.536 ppm2 6.849 CV 1 OR { 2791} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1300 and name HE22)) ASSI { 2794} (( segid " " and resid 1300 and name HA )) (( segid " " and resid 1303 and name H )) 3.000 1.100 1.100 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 4.210 ppm2 8.510 CV 1 ASSI { 2795} (( segid " " and resid 1300 and name HB3 )) (( segid " " and resid 1297 and name HA )) 2.700 0.900 0.900 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 2.317 ppm2 4.474 CV 1 ASSI { 2796} (( segid " " and resid 1300 and name HB2 )) (( segid " " and resid 1297 and name HA )) 3.200 1.300 1.300 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.21111E-02 ppm1 2.272 ppm2 4.476 CV 1 ASSI { 2798} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1300 and name HA )) 2.900 1.000 1.000 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.26543E-02 ppm1 2.535 ppm2 4.208 CV 1 OR { 2798} (( segid " " and resid 1300 and name HG2 )) (( segid " " and resid 1300 and name HA )) ASSI { 2799} (( segid " " and resid 1276 and name HG3 )) (( segid " " and resid 1276 and name HA )) 2.500 0.800 0.800 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.63856E-02 ppm1 2.477 ppm2 4.226 CV 1 OR { 2799} (( segid " " and resid 1276 and name HG2 )) (( segid " " and resid 1276 and name HA )) ASSI { 2800} (( segid " " and resid 1251 and name HG2 )) (( segid " " and resid 1251 and name HA )) 2.300 0.700 0.700 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.60774E-02 ppm1 2.462 ppm2 4.129 CV 1 ASSI { 2801} (( segid " " and resid 1348 and name HG2 )) (( segid " " and resid 1348 and name HA )) 2.800 1.000 1.000 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.26419E-02 ppm1 2.522 ppm2 4.102 CV 1 ASSI { 2802} (( segid " " and resid 1258 and name HG3 )) (( segid " " and resid 1258 and name HA )) 3.100 1.200 1.200 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.29629E-02 ppm1 2.471 ppm2 3.983 CV 1 ASSI { 2803} (( segid " " and resid 1300 and name HG2 )) (( segid " " and resid 1297 and name HA )) 4.000 2.000 2.000 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 2.529 ppm2 4.479 CV 1 OR { 2803} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1297 and name HA )) ASSI { 2804} (( segid " " and resid 1276 and name HG2 )) (( segid " " and resid 1277 and name HA )) 3.400 1.400 1.400 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 2.486 ppm2 4.476 CV 1 OR { 2804} (( segid " " and resid 1276 and name HG3 )) (( segid " " and resid 1277 and name HA )) ASSI { 2805} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1210 and name HB2 )) 3.200 1.300 1.300 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 4.199 ppm2 2.612 CV 1 ASSI { 2806} (( segid " " and resid 1300 and name HB3 )) (( segid " " and resid 1300 and name HG2 )) 2.300 0.700 0.700 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.60739E-02 ppm1 2.313 ppm2 2.523 CV 1 OR { 2806} (( segid " " and resid 1300 and name HB3 )) (( segid " " and resid 1300 and name HG3 )) ASSI { 2807} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1210 and name HB3 )) 2.700 0.900 0.900 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.29969E-02 ppm1 4.198 ppm2 2.786 CV 1 ASSI { 2808} (( segid " " and resid 1264 and name HG2 )) (( segid " " and resid 1264 and name HG3 )) 2.000 0.500 0.500 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.58332E-02 ppm1 2.305 ppm2 2.053 CV 1 ASSI { 2810} (( segid " " and resid 1348 and name HG3 )) (( segid " " and resid 1348 and name HB2 )) 2.000 0.500 0.500 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.19074E-01 ppm1 2.474 ppm2 2.257 CV 1 ASSI { 2811} (( segid " " and resid 1334 and name HG2 )) (( segid " " and resid 1334 and name HE21)) 2.800 1.000 1.000 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 2.530 ppm2 7.442 CV 1 ASSI { 2812} (( segid " " and resid 1356 and name HA )) (( segid " " and resid 1356 and name HG3 )) 3.100 1.200 1.200 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.18611E-02 ppm1 4.331 ppm2 2.384 CV 1 OR { 2812} (( segid " " and resid 1356 and name HA )) (( segid " " and resid 1356 and name HG2 )) ASSI { 2813} (( segid " " and resid 1356 and name HA )) (( segid " " and resid 1357 and name H )) 2.700 0.900 0.900 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.32932E-02 ppm1 4.333 ppm2 7.930 CV 1 ASSI { 2815} (( segid " " and resid 1356 and name HA )) (( segid " " and resid 1356 and name HB3 )) 2.800 1.000 1.000 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.26111E-02 ppm1 4.331 ppm2 2.122 CV 1 ASSI { 2816} (( segid " " and resid 1352 and name HG3 )) (( segid " " and resid 1352 and name H )) 3.900 1.900 1.900 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.99380E-03 ppm1 2.684 ppm2 7.856 CV 1 ASSI { 2817} (( segid " " and resid 1310 and name HG2 )) (( segid " " and resid 1310 and name H )) 3.500 1.500 1.500 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.14630E-02 ppm1 2.679 ppm2 8.271 CV 1 ASSI { 2818} (( segid " " and resid 1310 and name HG2 )) (( segid " " and resid 1311 and name H )) 4.200 2.200 1.800 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.62652E-03 ppm1 2.676 ppm2 8.778 CV 1 ASSI { 2819} (( segid " " and resid 1310 and name HG3 )) (( segid " " and resid 1310 and name H )) 3.100 3.100 2.900 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 2.777 ppm2 8.273 CV 1 ASSI { 2820} (( segid " " and resid 1352 and name HG2 )) (( segid " " and resid 1352 and name H )) 3.000 3.000 3.000 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 2.796 ppm2 7.854 CV 1 ASSI { 2821} (( segid " " and resid 1310 and name HG3 )) (( segid " " and resid 1311 and name H )) 4.100 2.100 1.900 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.61419E-03 ppm1 2.779 ppm2 8.781 CV 1 ASSI { 2825} (( segid " " and resid 1352 and name HG2 )) (( segid " " and resid 1349 and name HA )) 3.200 3.200 2.800 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.89815E-03 ppm1 2.794 ppm2 4.240 CV 1 ASSI { 2826} (( segid " " and resid 1310 and name HG3 )) (( segid " " and resid 1306 and name HA )) 3.500 3.500 2.500 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.62652E-03 ppm1 2.779 ppm2 4.042 CV 1 ASSI { 2829} (( segid " " and resid 1310 and name HG3 )) (( segid " " and resid 1310 and name HB3 )) 2.700 0.900 0.900 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.46851E-02 ppm1 2.781 ppm2 2.368 CV 1 ASSI { 2831} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name H )) 3.100 1.200 1.200 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 2.335 ppm2 7.969 CV 1 OR { 2831} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name H )) ASSI { 2832} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name HE22)) 3.500 1.500 1.500 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.20802E-02 ppm1 2.334 ppm2 7.483 CV 1 OR { 2832} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name HE22)) ASSI { 2833} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name HE21)) 3.200 1.200 1.200 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.11142E-02 ppm1 2.335 ppm2 6.829 CV 1 OR { 2833} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name HE21)) ASSI { 2835} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1205 and name HB )) 3.600 1.600 1.600 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.72532E-03 ppm1 2.339 ppm2 4.201 CV 1 OR { 2835} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1205 and name HB )) ASSI { 2837} (( segid " " and resid 1206 and name HG2 )) (( segid " " and resid 1206 and name HB2 )) 2.400 0.700 0.700 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.70340E-02 ppm1 2.335 ppm2 2.082 CV 1 OR { 2837} (( segid " " and resid 1206 and name HG3 )) (( segid " " and resid 1206 and name HB2 )) ASSI { 2838} (( segid " " and resid 1310 and name HG3 )) (( segid " " and resid 1310 and name HB2 )) 2.400 0.700 0.700 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.39599E-02 ppm1 2.782 ppm2 2.301 CV 1 ASSI { 2839} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1267 and name H )) 3.100 1.200 1.200 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 4.316 ppm2 7.796 CV 1 ASSI { 2842} (( segid " " and resid 1291 and name HG2 )) (( segid " " and resid 1291 and name H )) 3.000 1.100 1.100 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 2.216 ppm2 7.583 CV 1 ASSI { 2843} (( segid " " and resid 1291 and name HB3 )) (( segid " " and resid 1291 and name H )) 3.700 1.700 1.700 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.83331E-03 ppm1 2.594 ppm2 7.586 CV 1 ASSI { 2845} (( segid " " and resid 1291 and name HA )) (( segid " " and resid 1292 and name H )) 3.200 1.300 1.300 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 4.435 ppm2 7.393 CV 1 ASSI { 2846} (( segid " " and resid 1291 and name HA )) (( segid " " and resid 1291 and name H )) 2.700 0.900 0.900 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.28673E-02 ppm1 4.436 ppm2 7.586 CV 1 ASSI { 2849} (( segid " " and resid 1291 and name HG3 )) (( segid " " and resid 1291 and name HE22)) 3.600 1.700 1.700 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 2.618 ppm2 7.166 CV 1 ASSI { 2850} (( segid " " and resid 1291 and name HG3 )) (( segid " " and resid 1291 and name H )) 3.300 1.300 1.300 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 2.617 ppm2 7.582 CV 1 ASSI { 2851} (( segid " " and resid 1291 and name HG3 )) (( segid " " and resid 1291 and name HE21)) 3.200 1.300 1.300 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.76236E-03 ppm1 2.620 ppm2 6.316 CV 1 ASSI { 2852} (( segid " " and resid 1291 and name HG3 )) (( segid " " and resid 1291 and name HA )) 3.600 1.600 1.600 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 2.619 ppm2 4.435 CV 1 ASSI { 2853} (( segid " " and resid 1291 and name HG2 )) (( segid " " and resid 1290 and name HA3 )) 3.500 1.600 1.600 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 2.215 ppm2 3.992 CV 1 ASSI { 2855} (( segid " " and resid 1291 and name HG3 )) (( segid " " and resid 1291 and name HG2 )) 2.100 0.500 0.500 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.54259E-02 ppm1 2.620 ppm2 2.220 CV 1 ASSI { 2856} (( segid " " and resid 1291 and name HG3 )) (( segid " " and resid 1291 and name HB2 )) 3.000 1.100 1.100 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 2.619 ppm2 2.044 CV 1 ASSI { 2857} (( segid " " and resid 1329 and name HD2 )) (( segid " " and resid 1329 and name HG2 )) 2.600 0.800 0.800 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.22006E-02 ppm1 4.046 ppm2 2.195 CV 1 ASSI { 2858} (( segid " " and resid 1329 and name HD2 )) (( segid " " and resid 1329 and name HG3 )) 3.100 1.200 1.200 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.24846E-02 ppm1 4.045 ppm2 2.086 CV 1 ASSI { 2859} (( segid " " and resid 1329 and name HD2 )) (( segid " " and resid 1329 and name HB2 )) 3.800 1.800 1.800 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.70369E-03 ppm1 4.048 ppm2 2.448 CV 1 ASSI { 2861} (( segid " " and resid 1291 and name HA )) (( segid " " and resid 1291 and name HB3 )) 2.500 0.800 0.800 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.40895E-02 ppm1 4.435 ppm2 2.600 CV 1 ASSI { 2862} (( segid " " and resid 1291 and name HA )) (( segid " " and resid 1291 and name HG2 )) 3.400 1.400 1.400 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 4.433 ppm2 2.226 CV 1 ASSI { 2863} (( segid " " and resid 1291 and name HA )) (( segid " " and resid 1291 and name HB2 )) 3.100 1.200 1.200 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.21296E-02 ppm1 4.436 ppm2 2.044 CV 1 ASSI { 2864} (( segid " " and resid 1291 and name HB3 )) (( segid " " and resid 1291 and name HG2 )) 3.200 1.300 1.300 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 2.589 ppm2 2.216 CV 1 ASSI { 2866} (( segid " " and resid 1306 and name HD3 )) (( segid " " and resid 1306 and name HG2 )) 2.400 0.700 0.700 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.43919E-02 ppm1 1.743 ppm2 1.494 CV 1 OR { 2866} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1306 and name HG2 )) ASSI { 2867} (( segid " " and resid 1221 and name HD2 )) (( segid " " and resid 1221 and name HE2 )) 2.400 0.700 0.700 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.54104E-02 ppm1 1.735 ppm2 3.000 CV 1 OR { 2867} (( segid " " and resid 1221 and name HD3 )) (( segid " " and resid 1221 and name HE3 )) OR { 2867} (( segid " " and resid 1221 and name HD3 )) (( segid " " and resid 1221 and name HE2 )) OR { 2867} (( segid " " and resid 1221 and name HD2 )) (( segid " " and resid 1221 and name HE3 )) ASSI { 2868} (( segid " " and resid 1222 and name HA )) (( segid " " and resid 1222 and name H )) 2.500 0.800 0.800 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.57160E-02 ppm1 4.160 ppm2 7.940 CV 1 ASSI { 2869} (( segid " " and resid 1222 and name HB2 )) (( segid " " and resid 1222 and name H )) 2.300 0.700 0.700 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.49969E-02 ppm1 1.952 ppm2 7.934 CV 1 ASSI { 2871} (( segid " " and resid 1222 and name HB3 )) (( segid " " and resid 1222 and name HA )) 2.600 0.900 0.900 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.39167E-02 ppm1 1.951 ppm2 4.160 CV 1 OR { 2871} (( segid " " and resid 1222 and name HB2 )) (( segid " " and resid 1222 and name HA )) ASSI { 2872} (( segid " " and resid 1222 and name HB2 )) (( segid " " and resid 1222 and name HD2 )) 3.400 1.400 1.400 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.97839E-03 ppm1 1.953 ppm2 3.314 CV 1 OR { 2872} (( segid " " and resid 1222 and name HB3 )) (( segid " " and resid 1222 and name HD2 )) ASSI { 2873} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1273 and name HD2 )) 3.400 1.500 1.500 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.15864E-02 ppm1 4.158 ppm2 3.270 CV 1 OR { 2873} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1273 and name HD3 )) ASSI { 2874} (( segid " " and resid 1222 and name HB3 )) (( segid " " and resid 1222 and name HG2 )) 2.400 0.700 0.700 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.51789E-02 ppm1 1.955 ppm2 1.755 CV 1 OR { 2874} (( segid " " and resid 1222 and name HB2 )) (( segid " " and resid 1222 and name HG2 )) ASSI { 2875} (( segid " " and resid 1222 and name HB2 )) (( segid " " and resid 1222 and name HG3 )) 2.800 1.000 1.000 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 1.955 ppm2 1.657 CV 1 OR { 2875} (( segid " " and resid 1222 and name HB3 )) (( segid " " and resid 1222 and name HG3 )) ASSI { 2876} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1273 and name HB2 )) 2.200 0.600 0.600 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.99474E-02 ppm1 4.157 ppm2 1.982 CV 1 OR { 2876} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1273 and name HB3 )) ASSI { 2878} (( segid " " and resid 1222 and name HA )) (( segid " " and resid 1222 and name HG3 )) 3.000 1.100 1.100 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.18055E-02 ppm1 4.158 ppm2 1.661 CV 1 ASSI { 2879} (( segid " " and resid 1334 and name HA )) ( segid " " and resid 1337 and name HB% ) 2.700 0.900 0.900 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.32500E-02 ppm1 4.140 ppm2 1.503 CV 1 ASSI { 2880} (( segid " " and resid 1222 and name HB3 )) ( segid " " and resid 1223 and name HD2%) 3.600 1.600 1.600 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 1.947 ppm2 0.920 CV 1 OR { 2880} (( segid " " and resid 1222 and name HB2 )) ( segid " " and resid 1223 and name HD2%) OR { 2880} (( segid " " and resid 1222 and name HB3 )) ( segid " " and resid 1223 and name HD1%) ASSI { 2882} (( segid " " and resid 1229 and name HG3 )) (( segid " " and resid 1229 and name HD3 )) 2.300 0.600 0.600 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.73550E-02 ppm1 2.015 ppm2 3.847 CV 1 OR { 2882} (( segid " " and resid 1229 and name HG2 )) (( segid " " and resid 1229 and name HD3 )) ASSI { 2883} (( segid " " and resid 1229 and name HG3 )) (( segid " " and resid 1229 and name HA )) 3.300 1.300 1.300 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.27068E-02 ppm1 2.009 ppm2 4.686 CV 1 OR { 2883} (( segid " " and resid 1229 and name HG2 )) (( segid " " and resid 1229 and name HA )) ASSI { 2884} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1264 and name HG3 )) 3.100 1.200 1.200 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 4.313 ppm2 2.058 CV 1 ASSI { 2886} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1264 and name HG2 )) 4.100 2.100 1.900 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.10802E-02 ppm1 4.315 ppm2 2.298 CV 1 ASSI { 2887} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1267 and name HB2 )) 2.800 1.000 1.000 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.17994E-02 ppm1 4.315 ppm2 1.630 CV 1 ASSI { 2888} (( segid " " and resid 1264 and name HA )) (( segid " " and resid 1267 and name HG )) 3.800 1.800 1.800 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.73148E-03 ppm1 4.314 ppm2 1.418 CV 1 ASSI { 2890} (( segid " " and resid 1264 and name HG2 )) (( segid " " and resid 1263 and name HA )) 5.200 3.400 0.800 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.54321E-03 ppm1 2.303 ppm2 4.866 CV 1 ASSI { 2891} (( segid " " and resid 1264 and name HG2 )) (( segid " " and resid 1263 and name HB )) 4.800 2.900 1.200 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.52160E-03 ppm1 2.305 ppm2 4.780 CV 1 ASSI { 2893} (( segid " " and resid 1264 and name HG3 )) (( segid " " and resid 1263 and name HA )) 5.000 3.100 1.000 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.46296E-03 ppm1 2.051 ppm2 4.863 CV 1 ASSI { 2897} (( segid " " and resid 1293 and name HG3 )) (( segid " " and resid 1294 and name H )) 4.400 2.400 1.600 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 1.957 ppm2 7.353 CV 1 ASSI { 2898} (( segid " " and resid 1293 and name HG3 )) (( segid " " and resid 1293 and name HA )) 3.500 1.600 1.600 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.17469E-02 ppm1 1.955 ppm2 4.435 CV 1 ASSI { 2900} (( segid " " and resid 1293 and name HG3 )) (( segid " " and resid 1293 and name HD2 )) 2.900 1.100 1.100 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.33518E-02 ppm1 1.956 ppm2 3.669 CV 1 ASSI { 2901} (( segid " " and resid 1293 and name HG2 )) (( segid " " and resid 1293 and name HB3 )) 3.100 1.200 1.200 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 2.061 ppm2 2.270 CV 1 ASSI { 2902} (( segid " " and resid 1293 and name HG2 )) (( segid " " and resid 1293 and name HG3 )) 2.000 0.500 0.500 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.60710E-02 ppm1 2.059 ppm2 1.950 CV 1 ASSI { 2904} (( segid " " and resid 1326 and name HG3 )) (( segid " " and resid 1325 and name H )) 4.300 2.300 1.700 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.63269E-03 ppm1 1.991 ppm2 7.429 CV 1 ASSI { 2905} (( segid " " and resid 1326 and name HG3 )) (( segid " " and resid 1323 and name HA )) 3.200 1.300 1.300 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 1.994 ppm2 4.072 CV 1 ASSI { 2906} (( segid " " and resid 1230 and name HG2 )) (( segid " " and resid 1230 and name HD2 )) 2.200 0.600 0.600 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.99817E-02 ppm1 1.995 ppm2 3.768 CV 1 OR { 2906} (( segid " " and resid 1230 and name HG3 )) (( segid " " and resid 1230 and name HD2 )) ASSI { 2908} (( segid " " and resid 1230 and name HG3 )) (( segid " " and resid 1230 and name HB2 )) 2.200 0.600 0.600 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.98055E-02 ppm1 1.997 ppm2 2.283 CV 1 OR { 2908} (( segid " " and resid 1230 and name HG2 )) (( segid " " and resid 1230 and name HB2 )) ASSI { 2909} (( segid " " and resid 1327 and name HA )) (( segid " " and resid 1327 and name H )) 2.700 0.900 0.900 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.38735E-02 ppm1 4.444 ppm2 8.001 CV 1 ASSI { 2910} (( segid " " and resid 1327 and name HA )) (( segid " " and resid 1328 and name H )) 3.000 1.200 1.200 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 4.441 ppm2 7.453 CV 1 ASSI { 2911} (( segid " " and resid 1329 and name HD3 )) (( segid " " and resid 1328 and name HA )) 2.400 0.700 0.700 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.50617E-02 ppm1 4.412 ppm2 4.660 CV 1 ASSI { 2912} (( segid " " and resid 1329 and name HD3 )) (( segid " " and resid 1329 and name HD2 )) 1.800 0.400 0.400 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.11595E-01 ppm1 4.412 ppm2 4.046 CV 1 ASSI { 2913} (( segid " " and resid 1329 and name HD2 )) (( segid " " and resid 1328 and name HA )) 2.400 0.700 0.700 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.49320E-02 ppm1 4.046 ppm2 4.660 CV 1 ASSI { 2918} (( segid " " and resid 1329 and name HA )) (( segid " " and resid 1329 and name HB3 )) 2.400 0.700 0.700 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.39074E-02 ppm1 4.326 ppm2 2.045 CV 1 ASSI { 2919} (( segid " " and resid 1329 and name HA )) (( segid " " and resid 1332 and name HB2 )) 2.600 0.800 0.800 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.34012E-02 ppm1 4.327 ppm2 1.956 CV 1 ASSI { 2920} (( segid " " and resid 1329 and name HA )) (( segid " " and resid 1332 and name HD3 )) 2.900 1.100 1.100 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.90431E-03 ppm1 4.325 ppm2 1.702 CV 1 ASSI { 2921} (( segid " " and resid 1329 and name HA )) (( segid " " and resid 1332 and name HD2 )) 4.000 2.000 2.000 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.14167E-02 ppm1 4.323 ppm2 1.612 CV 1 ASSI { 2923} (( segid " " and resid 1306 and name HB2 )) (( segid " " and resid 1306 and name HA )) 2.500 0.800 0.800 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.32654E-02 ppm1 2.048 ppm2 4.046 CV 1 ASSI { 2924} (( segid " " and resid 1329 and name HB3 )) (( segid " " and resid 1329 and name HD3 )) 3.700 1.700 1.700 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.91664E-03 ppm1 2.042 ppm2 4.417 CV 1 ASSI { 2927} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1310 and name HG3 )) 3.400 1.400 1.400 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 4.330 ppm2 2.775 CV 1 ASSI { 2928} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1310 and name HG2 )) 3.000 1.100 1.100 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 4.329 ppm2 2.678 CV 1 ASSI { 2929} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1310 and name HB3 )) 2.600 0.800 0.800 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.38796E-02 ppm1 4.329 ppm2 2.377 CV 1 ASSI { 2930} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1310 and name HB2 )) 2.700 0.900 0.900 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.35525E-02 ppm1 4.329 ppm2 2.295 CV 1 ASSI { 2931} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1313 and name HB3 )) 3.300 1.400 1.400 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.21574E-02 ppm1 4.330 ppm2 3.998 CV 1 ASSI { 2932} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1313 and name HB2 )) 3.000 1.100 1.100 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 4.329 ppm2 3.867 CV 1 ASSI { 2933} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1311 and name H )) 3.300 1.400 1.400 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.12130E-02 ppm1 4.331 ppm2 8.776 CV 1 ASSI { 2935} (( segid " " and resid 1310 and name HA )) (( segid " " and resid 1313 and name H )) 3.200 1.300 1.300 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 4.330 ppm2 8.089 CV 1 ASSI { 2942} (( segid " " and resid 1288 and name HG3 )) (( segid " " and resid 1289 and name H )) 3.600 1.600 1.600 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.41358E-03 ppm1 2.648 ppm2 8.555 CV 1 ASSI { 2943} (( segid " " and resid 1288 and name HG3 )) (( segid " " and resid 1288 and name H )) 3.600 1.700 1.700 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.89506E-03 ppm1 2.652 ppm2 7.749 CV 1 ASSI { 2946} (( segid " " and resid 1340 and name HA )) (( segid " " and resid 1344 and name H )) 3.400 1.500 1.500 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.86727E-03 ppm1 4.125 ppm2 8.939 CV 1 ASSI { 2947} (( segid " " and resid 1288 and name HG3 )) (( segid " " and resid 1288 and name HA )) 3.500 1.500 1.500 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 2.650 ppm2 4.135 CV 1 ASSI { 2949} (( segid " " and resid 1288 and name HG2 )) (( segid " " and resid 1288 and name HG3 )) 2.000 0.500 0.500 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.70462E-02 ppm1 2.327 ppm2 2.650 CV 1 ASSI { 2954} ( segid " " and resid 1288 and name HE% ) ( segid " " and resid 1242 and name HD2%) 2.400 2.400 3.600 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.69537E-02 ppm1 1.828 ppm2 0.836 CV 1 ASSI { 2956} (( segid " " and resid 1221 and name HE3 )) (( segid " " and resid 1221 and name HG3 )) 3.200 1.300 1.300 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.18055E-02 ppm1 3.006 ppm2 1.508 CV 1 OR { 2956} (( segid " " and resid 1221 and name HE2 )) (( segid " " and resid 1221 and name HG3 )) ASSI { 2957} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1332 and name HG2 )) 2.800 1.000 1.000 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.27222E-02 ppm1 3.000 ppm2 1.332 CV 1 OR { 2957} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1332 and name HG3 )) OR { 2957} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1332 and name HG3 )) OR { 2957} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1332 and name HG2 )) ASSI { 2959} (( segid " " and resid 1332 and name HG2 )) (( segid " " and resid 1331 and name HB2 )) 3.400 1.500 1.500 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.25031E-02 ppm1 1.330 ppm2 1.946 CV 1 OR { 2959} (( segid " " and resid 1332 and name HG3 )) (( segid " " and resid 1331 and name HB2 )) ASSI { 2963} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1332 and name H )) 4.300 2.400 1.700 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.88890E-03 ppm1 2.998 ppm2 8.117 CV 1 OR { 2963} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1332 and name H )) ASSI { 2964} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1332 and name HG3 )) 2.800 1.000 1.000 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 1.695 ppm2 1.330 CV 1 OR { 2964} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1332 and name HG2 )) ASSI { 2965} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1332 and name HD2 )) 1.600 0.300 0.600 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.12858E-01 ppm1 1.695 ppm2 1.612 CV 1 ASSI { 2966} (( segid " " and resid 1332 and name HD2 )) (( segid " " and resid 1331 and name HB2 )) 2.600 0.900 0.900 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.19784E-02 ppm1 1.611 ppm2 1.946 CV 1 ASSI { 2967} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1331 and name HB2 )) 3.300 1.400 1.400 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.17099E-02 ppm1 1.694 ppm2 1.944 CV 1 ASSI { 2970} (( segid " " and resid 1332 and name HD2 )) (( segid " " and resid 1332 and name HE3 )) 2.500 0.800 0.800 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 1.611 ppm2 2.999 CV 1 OR { 2970} (( segid " " and resid 1332 and name HD2 )) (( segid " " and resid 1332 and name HE2 )) ASSI { 2971} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1332 and name HE2 )) 2.800 0.900 0.900 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 1.694 ppm2 3.002 CV 1 OR { 2971} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1332 and name HE3 )) ASSI { 2972} (( segid " " and resid 1332 and name HD2 )) (( segid " " and resid 1332 and name HA )) 3.500 1.500 1.500 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.65740E-03 ppm1 1.612 ppm2 3.920 CV 1 ASSI { 2973} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1332 and name HA )) 4.400 2.400 1.600 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 1.694 ppm2 3.922 CV 1 ASSI { 2976} (( segid " " and resid 1332 and name HD3 )) (( segid " " and resid 1332 and name H )) 3.500 1.500 1.500 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.48147E-03 ppm1 1.696 ppm2 8.106 CV 1 ASSI { 2977} (( segid " " and resid 1332 and name HD2 )) (( segid " " and resid 1332 and name H )) 2.900 1.100 1.100 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.61728E-03 ppm1 1.612 ppm2 8.105 CV 1 ASSI { 2978} (( segid " " and resid 1314 and name HD3 )) (( segid " " and resid 1314 and name H )) 3.400 1.500 1.500 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.96293E-03 ppm1 1.680 ppm2 7.824 CV 1 OR { 2978} (( segid " " and resid 1314 and name HD2 )) (( segid " " and resid 1314 and name H )) ASSI { 2979} (( segid " " and resid 1314 and name HD3 )) (( segid " " and resid 1314 and name HG3 )) 2.600 0.900 0.900 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.31142E-02 ppm1 1.677 ppm2 1.434 CV 1 OR { 2979} (( segid " " and resid 1314 and name HD2 )) (( segid " " and resid 1314 and name HG3 )) ASSI { 2981} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1306 and name HG2 )) 2.900 1.100 1.100 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.20617E-02 ppm1 4.042 ppm2 1.492 CV 1 ASSI { 2982} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1310 and name H )) 3.800 1.800 1.800 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.36111E-03 ppm1 4.041 ppm2 8.277 CV 1 ASSI { 2983} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1307 and name H )) 3.700 1.700 1.700 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.60495E-03 ppm1 4.040 ppm2 8.151 CV 1 ASSI { 2984} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1306 and name H )) 2.700 0.900 0.900 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.30154E-02 ppm1 4.042 ppm2 8.834 CV 1 ASSI { 2987} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1306 and name HE3 )) 4.200 2.300 1.800 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.70369E-03 ppm1 1.493 ppm2 2.854 CV 1 OR { 2987} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1306 and name HE2 )) ASSI { 2988} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1306 and name HB3 )) 2.800 1.000 1.000 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.14537E-02 ppm1 1.491 ppm2 2.129 CV 1 ASSI { 2989} (( segid " " and resid 1306 and name HG2 )) (( segid " " and resid 1306 and name HB2 )) 3.300 1.300 1.300 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 1.494 ppm2 2.051 CV 1 ASSI { 2990} (( segid " " and resid 1265 and name HG3 )) (( segid " " and resid 1265 and name HB3 )) 2.900 1.100 1.100 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.38981E-02 ppm1 2.568 ppm2 2.164 CV 1 ASSI { 2991} (( segid " " and resid 1334 and name HG2 )) (( segid " " and resid 1334 and name HB2 )) 2.800 1.000 1.000 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.47715E-02 ppm1 2.553 ppm2 2.144 CV 1 ASSI { 2992} (( segid " " and resid 1265 and name HG3 )) (( segid " " and resid 1265 and name HB2 )) 2.400 0.700 0.700 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.45401E-02 ppm1 2.568 ppm2 2.031 CV 1 ASSI { 2993} (( segid " " and resid 1265 and name HG3 )) (( segid " " and resid 1265 and name H )) 3.100 1.200 1.200 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.66665E-03 ppm1 2.566 ppm2 8.115 CV 1 ASSI { 2994} (( segid " " and resid 1265 and name HG3 )) (( segid " " and resid 1266 and name H )) 4.500 2.500 1.500 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.45987E-03 ppm1 2.567 ppm2 7.992 CV 1 ASSI { 2997} (( segid " " and resid 1276 and name HG3 )) (( segid " " and resid 1276 and name HE22)) 3.500 1.500 1.500 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.20957E-02 ppm1 2.473 ppm2 6.814 CV 1 OR { 2997} (( segid " " and resid 1276 and name HG2 )) (( segid " " and resid 1276 and name HE22)) ASSI { 2998} (( segid " " and resid 1241 and name HB3 )) (( segid " " and resid 1241 and name H )) 2.400 0.700 0.700 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.38333E-02 ppm1 1.935 ppm2 8.089 CV 1 ASSI { 2999} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1306 and name H )) 4.300 2.300 1.700 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.11173E-02 ppm1 1.746 ppm2 8.825 CV 1 OR { 2999} (( segid " " and resid 1306 and name HD3 )) (( segid " " and resid 1306 and name H )) ASSI { 3000} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1307 and name H )) 4.600 2.700 1.400 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.37345E-03 ppm1 1.747 ppm2 8.143 CV 1 OR { 3000} (( segid " " and resid 1306 and name HD3 )) (( segid " " and resid 1307 and name H )) ASSI { 3002} (( segid " " and resid 1306 and name HB2 )) (( segid " " and resid 1306 and name H )) 2.800 1.000 1.000 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.17747E-02 ppm1 2.049 ppm2 8.826 CV 1 ASSI { 3007} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1306 and name HB3 )) 2.500 0.800 0.800 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.27469E-02 ppm1 1.750 ppm2 2.135 CV 1 OR { 3007} (( segid " " and resid 1306 and name HD3 )) (( segid " " and resid 1306 and name HB3 )) ASSI { 3008} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1306 and name HB2 )) 3.100 1.200 1.200 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.30586E-02 ppm1 1.747 ppm2 2.055 CV 1 OR { 3008} (( segid " " and resid 1306 and name HD3 )) (( segid " " and resid 1306 and name HB2 )) ASSI { 3009} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1306 and name HB3 )) 3.100 1.200 1.200 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 4.041 ppm2 2.131 CV 1 ASSI { 3010} (( segid " " and resid 1306 and name HD2 )) (( segid " " and resid 1303 and name HB2 )) 2.600 2.600 3.400 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.18303E-02 ppm1 1.746 ppm2 4.202 CV 1 ASSI { 3011} (( segid " " and resid 1306 and name HD2 )) ( segid " " and resid 1302 and name HG1%) 2.700 2.700 3.300 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.15000E-02 ppm1 1.749 ppm2 1.017 CV 1 OR { 3011} (( segid " " and resid 1306 and name HD3 )) ( segid " " and resid 1302 and name HG1%) ASSI { 3012} (( segid " " and resid 1320 and name HD2 )) (( segid " " and resid 1320 and name HE2 )) 2.900 1.000 1.000 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.19753E-02 ppm1 1.558 ppm2 2.923 CV 1 ASSI { 3014} (( segid " " and resid 1320 and name HD3 )) (( segid " " and resid 1320 and name HE2 )) 2.800 1.000 1.000 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.17870E-02 ppm1 1.627 ppm2 2.918 CV 1 ASSI { 3015} (( segid " " and resid 1320 and name HD3 )) (( segid " " and resid 1320 and name HE3 )) 2.900 1.000 1.000 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.18148E-02 ppm1 1.623 ppm2 2.863 CV 1 ASSI { 3017} (( segid " " and resid 1320 and name HD3 )) (( segid " " and resid 1320 and name HB3 )) 3.300 1.400 1.400 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.12870E-02 ppm1 1.625 ppm2 2.110 CV 1 ASSI { 3019} (( segid " " and resid 1320 and name HD3 )) (( segid " " and resid 1320 and name HG3 )) 2.500 0.800 0.800 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.36543E-02 ppm1 1.624 ppm2 1.365 CV 1 ASSI { 3020} (( segid " " and resid 1320 and name HD2 )) (( segid " " and resid 1320 and name HG2 )) 2.400 0.700 0.700 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 1.560 ppm2 1.376 CV 1 ASSI { 3021} (( segid " " and resid 1320 and name HD3 )) (( segid " " and resid 1320 and name HA )) 4.500 2.500 1.500 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.47530E-03 ppm1 1.625 ppm2 3.815 CV 1 ASSI { 3022} (( segid " " and resid 1320 and name HD2 )) (( segid " " and resid 1320 and name HA )) 4.300 2.300 1.700 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.71602E-03 ppm1 1.562 ppm2 3.815 CV 1 ASSI { 3023} (( segid " " and resid 1320 and name HD2 )) (( segid " " and resid 1320 and name H )) 4.800 2.900 1.200 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.39506E-03 ppm1 1.563 ppm2 8.577 CV 1 ASSI { 3024} (( segid " " and resid 1356 and name HB2 )) (( segid " " and resid 1356 and name HA )) 3.000 1.100 1.100 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.19845E-02 ppm1 2.001 ppm2 4.328 CV 1 ASSI { 3025} (( segid " " and resid 1340 and name HD3 )) (( segid " " and resid 1340 and name HA )) 2.400 0.700 0.700 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.56728E-02 ppm1 3.248 ppm2 4.130 CV 1 OR { 3025} (( segid " " and resid 1340 and name HD2 )) (( segid " " and resid 1340 and name HA )) ASSI { 3029} (( segid " " and resid 1340 and name HD3 )) (( segid " " and resid 1340 and name H )) 3.800 1.800 1.800 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.10957E-02 ppm1 3.248 ppm2 7.782 CV 1 OR { 3029} (( segid " " and resid 1340 and name HD2 )) (( segid " " and resid 1340 and name H )) ASSI { 3030} (( segid " " and resid 1261 and name HG3 )) (( segid " " and resid 1261 and name HA )) 3.100 1.200 1.200 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.19105E-02 ppm1 1.722 ppm2 4.535 CV 1 ASSI { 3031} (( segid " " and resid 1261 and name HG2 )) (( segid " " and resid 1261 and name HA )) 3.100 1.200 1.200 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.23024E-02 ppm1 1.657 ppm2 4.533 CV 1 ASSI { 3033} (( segid " " and resid 1340 and name HG3 )) (( segid " " and resid 1340 and name HD2 )) 2.400 0.700 0.700 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.65153E-02 ppm1 1.678 ppm2 3.258 CV 1 OR { 3033} (( segid " " and resid 1340 and name HG3 )) (( segid " " and resid 1340 and name HD3 )) ASSI { 3035} (( segid " " and resid 1228 and name HG )) ( segid " " and resid 1228 and name HD1%) 2.200 0.600 0.600 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.91170E-02 ppm1 1.732 ppm2 0.921 CV 1 OR { 3035} (( segid " " and resid 1228 and name HG )) ( segid " " and resid 1228 and name HD2%) ASSI { 3036} (( segid " " and resid 1242 and name HB3 )) (( segid " " and resid 1242 and name HA )) 3.000 1.100 1.100 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.17222E-02 ppm1 1.243 ppm2 3.939 CV 1 ASSI { 3040} (( segid " " and resid 1315 and name HG )) (( segid " " and resid 1315 and name HB2 )) 3.100 1.200 1.200 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.15957E-02 ppm1 1.049 ppm2 1.203 CV 1 ASSI { 3041} ( segid " " and resid 1249 and name HD1%) ( segid " " and resid 1278 and name HE% ) 4.400 2.400 1.600 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.48456E-03 ppm1 0.380 ppm2 7.367 CV 1 ASSI { 3042} (( segid " " and resid 1334 and name HG3 )) (( segid " " and resid 1334 and name H )) 3.800 1.800 1.800 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 2.405 ppm2 8.266 CV 1 ASSI { 3043} (( segid " " and resid 1334 and name HG3 )) (( segid " " and resid 1334 and name HA )) 2.400 0.700 0.700 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.52592E-02 ppm1 2.409 ppm2 4.136 CV 1 ASSI { 3044} (( segid " " and resid 1265 and name HG2 )) (( segid " " and resid 1265 and name HA )) 2.400 0.700 0.700 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.51080E-02 ppm1 2.422 ppm2 4.128 CV 1 ASSI { 3045} (( segid " " and resid 1261 and name HD2 )) (( segid " " and resid 1261 and name HB2 )) 2.600 0.900 0.900 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.33240E-02 ppm1 3.234 ppm2 2.127 CV 1 OR { 3045} (( segid " " and resid 1261 and name HD3 )) (( segid " " and resid 1261 and name HB2 )) ASSI { 3047} (( segid " " and resid 1241 and name HD2 )) (( segid " " and resid 1241 and name HG2 )) 2.200 0.600 0.600 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.91664E-02 ppm1 3.204 ppm2 1.815 CV 1 OR { 3047} (( segid " " and resid 1241 and name HD3 )) (( segid " " and resid 1241 and name HG2 )) OR { 3047} (( segid " " and resid 1241 and name HD2 )) (( segid " " and resid 1241 and name HB2 )) ASSI { 3049} (( segid " " and resid 1241 and name HD2 )) (( segid " " and resid 1241 and name HA )) 3.800 1.800 1.800 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.15833E-02 ppm1 3.201 ppm2 4.114 CV 1 ASSI { 3051} (( segid " " and resid 1241 and name HD3 )) (( segid " " and resid 1241 and name H )) 4.200 2.200 1.800 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.95060E-03 ppm1 3.201 ppm2 8.088 CV 1 OR { 3051} (( segid " " and resid 1241 and name HD2 )) (( segid " " and resid 1241 and name H )) ASSI { 3052} (( segid " " and resid 1241 and name HD3 )) (( segid " " and resid 1242 and name H )) 4.500 2.500 1.500 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.47222E-03 ppm1 3.200 ppm2 8.244 CV 1 OR { 3052} (( segid " " and resid 1241 and name HD2 )) (( segid " " and resid 1242 and name H )) ASSI { 3053} (( segid " " and resid 1241 and name HG2 )) (( segid " " and resid 1241 and name HD2 )) 2.500 0.800 0.800 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.32500E-02 ppm1 1.822 ppm2 3.198 CV 1 OR { 3053} (( segid " " and resid 1241 and name HG2 )) (( segid " " and resid 1241 and name HD3 )) ASSI { 3054} (( segid " " and resid 1241 and name HG2 )) (( segid " " and resid 1241 and name H )) 3.400 1.400 1.400 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 1.821 ppm2 8.086 CV 1 ASSI { 3055} (( segid " " and resid 1241 and name HG2 )) (( segid " " and resid 1242 and name H )) 3.400 1.400 1.400 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.55555E-03 ppm1 1.818 ppm2 8.242 CV 1 ASSI { 3056} (( segid " " and resid 1261 and name HG2 )) (( segid " " and resid 1261 and name H )) 3.800 3.800 2.200 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 1.657 ppm2 7.289 CV 1 ASSI { 3057} (( segid " " and resid 1261 and name HD3 )) (( segid " " and resid 1261 and name H )) 3.800 1.800 1.800 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 3.235 ppm2 7.290 CV 1 OR { 3057} (( segid " " and resid 1261 and name HD2 )) (( segid " " and resid 1261 and name H )) ASSI { 3058} (( segid " " and resid 1222 and name HG3 )) (( segid " " and resid 1222 and name H )) 3.400 1.400 1.400 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.12376E-02 ppm1 1.651 ppm2 7.934 CV 1 ASSI { 3059} (( segid " " and resid 1261 and name HB2 )) (( segid " " and resid 1261 and name HG3 )) 2.900 1.000 1.000 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.20062E-02 ppm1 2.127 ppm2 1.733 CV 1 ASSI { 3060} (( segid " " and resid 1261 and name HB2 )) (( segid " " and resid 1261 and name HG2 )) 3.100 1.200 1.200 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 2.127 ppm2 1.661 CV 1 ASSI { 3061} (( segid " " and resid 1269 and name HD2 )) (( segid " " and resid 1269 and name H )) 3.700 1.700 1.700 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 3.271 ppm2 8.171 CV 1 OR { 3061} (( segid " " and resid 1269 and name HD3 )) (( segid " " and resid 1269 and name H )) ASSI { 3062} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1302 and name H )) 4.000 2.000 2.000 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.51234E-03 ppm1 3.797 ppm2 8.425 CV 1 ASSI { 3063} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1298 and name H )) 2.700 0.900 0.900 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.26759E-02 ppm1 3.797 ppm2 8.144 CV 1 ASSI { 3064} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1301 and name HB )) 3.400 3.400 2.600 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 3.797 ppm2 2.278 CV 1 ASSI { 3065} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1298 and name HB2 )) 2.500 0.800 0.800 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.32808E-02 ppm1 3.798 ppm2 2.059 CV 1 ASSI { 3066} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1298 and name HB3 )) 3.000 1.100 1.100 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.24568E-02 ppm1 3.799 ppm2 1.971 CV 1 ASSI { 3067} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1298 and name HG2 )) 3.000 1.100 1.100 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.23302E-02 ppm1 3.797 ppm2 1.738 CV 1 ASSI { 3072} (( segid " " and resid 1298 and name HD2 )) (( segid " " and resid 1298 and name HA )) 4.600 2.600 1.400 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.50308E-03 ppm1 3.267 ppm2 3.795 CV 1 ASSI { 3073} (( segid " " and resid 1298 and name HD3 )) (( segid " " and resid 1298 and name HA )) 4.900 3.000 1.100 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.35802E-03 ppm1 3.204 ppm2 3.803 CV 1 ASSI { 3074} (( segid " " and resid 1222 and name HD3 )) (( segid " " and resid 1222 and name HG2 )) 2.200 0.600 0.600 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.82435E-02 ppm1 3.213 ppm2 1.759 CV 1 ASSI { 3075} (( segid " " and resid 1228 and name HG )) (( segid " " and resid 1228 and name H )) 2.700 0.900 0.900 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.27253E-02 ppm1 1.727 ppm2 8.198 CV 1 ASSI { 3076} (( segid " " and resid 1224 and name HG )) (( segid " " and resid 1224 and name H )) 2.800 1.000 1.000 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 1.727 ppm2 7.575 CV 1 ASSI { 3077} (( segid " " and resid 1273 and name HG3 )) (( segid " " and resid 1273 and name HA )) 2.400 0.700 0.700 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.63949E-02 ppm1 1.776 ppm2 4.150 CV 1 OR { 3077} (( segid " " and resid 1273 and name HG2 )) (( segid " " and resid 1273 and name HA )) ASSI { 3078} (( segid " " and resid 1273 and name HG3 )) (( segid " " and resid 1273 and name H )) 3.200 1.300 1.300 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.23858E-02 ppm1 1.777 ppm2 7.821 CV 1 OR { 3078} (( segid " " and resid 1273 and name HG2 )) (( segid " " and resid 1273 and name H )) ASSI { 3079} (( segid " " and resid 1269 and name HD3 )) (( segid " " and resid 1270 and name H )) 3.000 3.000 3.000 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.72224E-03 ppm1 3.275 ppm2 8.434 CV 1 OR { 3079} (( segid " " and resid 1269 and name HD2 )) (( segid " " and resid 1270 and name H )) ASSI { 3080} (( segid " " and resid 1241 and name HG2 )) (( segid " " and resid 1243 and name H )) 3.600 3.600 2.400 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.92902E-03 ppm1 1.794 ppm2 8.434 CV 1 ASSI { 3081} (( segid " " and resid 1222 and name HD2 )) (( segid " " and resid 1222 and name H )) 4.200 2.200 1.800 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.48147E-03 ppm1 3.303 ppm2 7.935 CV 1 ASSI { 3082} (( segid " " and resid 1258 and name HG2 )) (( segid " " and resid 1258 and name H )) 2.900 1.000 1.000 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.27716E-02 ppm1 2.422 ppm2 8.175 CV 1 ASSI { 3083} (( segid " " and resid 1258 and name HG2 )) (( segid " " and resid 1259 and name H )) 4.400 2.400 1.600 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.52160E-03 ppm1 2.423 ppm2 8.427 CV 1 ASSI { 3084} (( segid " " and resid 1258 and name HG3 )) (( segid " " and resid 1259 and name H )) 3.900 1.900 1.900 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.72840E-03 ppm1 2.472 ppm2 8.421 CV 1 ASSI { 3085} (( segid " " and resid 1258 and name HG2 )) (( segid " " and resid 1258 and name HA )) 2.800 1.000 1.000 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.24537E-02 ppm1 2.425 ppm2 3.982 CV 1 ASSI { 3087} (( segid " " and resid 1258 and name HG2 )) ( segid " " and resid 1254 and name HG2%) 3.600 1.600 1.600 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.88274E-03 ppm1 2.418 ppm2 1.279 CV 1 ASSI { 3088} (( segid " " and resid 1251 and name HG2 )) (( segid " " and resid 1251 and name H )) 3.400 1.500 1.500 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.34321E-02 ppm1 2.460 ppm2 8.096 CV 1 OR { 3088} (( segid " " and resid 1251 and name HG3 )) (( segid " " and resid 1251 and name H )) ASSI { 3089} (( segid " " and resid 1251 and name HG2 )) (( segid " " and resid 1251 and name HE21)) 2.800 1.000 1.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.18920E-02 ppm1 2.452 ppm2 7.814 CV 1 OR { 3089} (( segid " " and resid 1251 and name HG3 )) (( segid " " and resid 1251 and name HE21)) ASSI { 3090} (( segid " " and resid 1251 and name HG2 )) (( segid " " and resid 1252 and name H )) 3.700 1.700 1.700 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 2.457 ppm2 8.551 CV 1 OR { 3090} (( segid " " and resid 1251 and name HG3 )) (( segid " " and resid 1252 and name H )) ASSI { 3094} (( segid " " and resid 1207 and name HB2 )) (( segid " " and resid 1207 and name H )) 2.900 1.100 1.100 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.13302E-02 ppm1 1.922 ppm2 7.867 CV 1 ASSI { 3095} (( segid " " and resid 1305 and name HA )) (( segid " " and resid 1305 and name HG )) 2.600 0.900 0.900 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.39352E-02 ppm1 4.187 ppm2 2.086 CV 1 ASSI { 3096} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1207 and name HB3 )) 3.000 1.100 1.100 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.29043E-02 ppm1 4.197 ppm2 2.000 CV 1 ASSI { 3097} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1207 and name HB2 )) 2.600 0.800 0.800 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.31635E-02 ppm1 4.197 ppm2 1.919 CV 1 ASSI { 3098} (( segid " " and resid 1242 and name HA )) (( segid " " and resid 1242 and name HB2 )) 2.800 1.000 1.000 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 3.940 ppm2 2.034 CV 1 ASSI { 3099} (( segid " " and resid 1242 and name HB3 )) (( segid " " and resid 1242 and name HB2 )) 2.100 0.600 0.600 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.41636E-02 ppm1 1.241 ppm2 2.035 CV 1 ASSI { 3100} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1242 and name HB2 )) 2.700 0.900 0.900 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.37716E-02 ppm1 0.571 ppm2 2.036 CV 1 ASSI { 3101} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1349 and name HB3 )) 3.600 1.600 1.600 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.16512E-02 ppm1 0.570 ppm2 2.313 CV 1 ASSI { 3105} (( segid " " and resid 1242 and name HB3 )) ( segid " " and resid 1242 and name HD1%) 3.400 1.400 1.400 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.98764E-03 ppm1 1.242 ppm2 0.571 CV 1 ASSI { 3106} ( segid " " and resid 1242 and name HD2%) ( segid " " and resid 1281 and name HE% ) 4.000 2.000 2.000 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.72532E-03 ppm1 0.831 ppm2 6.991 CV 1 ASSI { 3107} ( segid " " and resid 1242 and name HD1%) ( segid " " and resid 1281 and name HE% ) 2.500 0.800 0.800 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.38240E-02 ppm1 0.571 ppm2 6.986 CV 1 ASSI { 3108} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1284 and name H )) 4.000 2.000 2.000 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 0.572 ppm2 7.427 CV 1 ASSI { 3109} (( segid " " and resid 1242 and name HB3 )) (( segid " " and resid 1243 and name H )) 3.200 1.300 1.300 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.78085E-03 ppm1 1.246 ppm2 8.436 CV 1 ASSI { 3113} (( segid " " and resid 1242 and name HA )) (( segid " " and resid 1242 and name H )) 2.800 1.000 1.000 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.20463E-02 ppm1 3.940 ppm2 8.241 CV 1 ASSI { 3114} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1246 and name H )) 3.300 1.400 1.400 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.11080E-02 ppm1 0.569 ppm2 9.451 CV 1 ASSI { 3116} (( segid " " and resid 1207 and name HG3 )) (( segid " " and resid 1207 and name HB3 )) 2.800 1.000 1.000 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.28920E-02 ppm1 1.602 ppm2 2.002 CV 1 ASSI { 3117} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1207 and name HD2 )) 3.600 1.700 1.700 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.82406E-03 ppm1 4.198 ppm2 3.200 CV 1 OR { 3117} (( segid " " and resid 1207 and name HA )) (( segid " " and resid 1207 and name HD3 )) ASSI { 3118} (( segid " " and resid 1207 and name HG3 )) (( segid " " and resid 1207 and name HD2 )) 2.600 0.900 0.900 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.33765E-02 ppm1 1.607 ppm2 3.207 CV 1 OR { 3118} (( segid " " and resid 1207 and name HG3 )) (( segid " " and resid 1207 and name HD3 )) ASSI { 3120} (( segid " " and resid 1214 and name HB2 )) (( segid " " and resid 1211 and name HA )) 2.900 2.900 3.100 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 1.955 ppm2 4.522 CV 1 ASSI { 3121} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1283 and name HG3 )) 2.800 1.000 1.000 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.18735E-02 ppm1 0.930 ppm2 2.457 CV 1 ASSI { 3123} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1283 and name HB2 )) 3.900 1.900 1.900 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 0.930 ppm2 2.102 CV 1 ASSI { 3125} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1283 and name HA )) 2.600 0.800 0.800 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.29413E-02 ppm1 0.929 ppm2 3.815 CV 1 ASSI { 3127} (( segid " " and resid 1227 and name HG )) (( segid " " and resid 1227 and name HA )) 3.200 1.300 1.300 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.11173E-02 ppm1 1.592 ppm2 4.400 CV 1 ASSI { 3128} (( segid " " and resid 1228 and name HB2 )) (( segid " " and resid 1228 and name HG )) 2.700 0.900 0.900 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.30524E-02 ppm1 1.585 ppm2 1.725 CV 1 ASSI { 3129} (( segid " " and resid 1228 and name HB3 )) (( segid " " and resid 1228 and name HG )) 2.700 0.900 0.900 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.30339E-02 ppm1 1.510 ppm2 1.723 CV 1 ASSI { 3130} (( segid " " and resid 1282 and name HB3 )) ( segid " " and resid 1223 and name HD1%) 2.700 0.900 0.900 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 1.467 ppm2 0.927 CV 1 ASSI { 3131} (( segid " " and resid 1282 and name HA )) ( segid " " and resid 1223 and name HD1%) 3.400 1.500 1.500 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.22809E-02 ppm1 3.425 ppm2 0.927 CV 1 ASSI { 3132} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1305 and name HB3 )) 2.700 0.900 0.900 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.17037E-02 ppm1 0.868 ppm2 2.291 CV 1 ASSI { 3133} ( segid " " and resid 1282 and name HD2%) ( segid " " and resid 1278 and name HE% ) 2.200 0.600 0.600 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.58704E-02 ppm1 0.870 ppm2 7.355 CV 1 ASSI { 3134} ( segid " " and resid 1282 and name HD2%) (( segid " " and resid 1224 and name H )) 3.000 3.000 3.000 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.78394E-03 ppm1 0.872 ppm2 7.578 CV 1 ASSI { 3135} ( segid " " and resid 1282 and name HD2%) (( segid " " and resid 1223 and name H )) 2.600 2.600 3.400 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 0.872 ppm2 7.917 CV 1 ASSI { 3136} ( segid " " and resid 1282 and name HD2%) (( segid " " and resid 1220 and name H )) 3.200 1.300 1.300 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.12130E-02 ppm1 0.871 ppm2 8.120 CV 1 ASSI { 3137} ( segid " " and resid 1282 and name HD2%) (( segid " " and resid 1219 and name H )) 3.100 1.200 1.200 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.63269E-03 ppm1 0.867 ppm2 8.277 CV 1 ASSI { 3138} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1285 and name H )) 3.500 1.500 1.500 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 0.868 ppm2 8.872 CV 1 ASSI { 3139} (( segid " " and resid 1286 and name HA )) (( segid " " and resid 1290 and name H )) 4.000 2.000 2.000 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.47222E-03 ppm1 3.586 ppm2 7.959 CV 1 ASSI { 3140} ( segid " " and resid 1286 and name HG1%) (( segid " " and resid 1223 and name HA )) 3.500 1.500 1.500 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 0.980 ppm2 4.377 CV 1 ASSI { 3141} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1223 and name HB2 )) 3.800 1.800 1.800 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.19197E-02 ppm1 1.026 ppm2 1.901 CV 1 ASSI { 3142} ( segid " " and resid 1286 and name HG2%) (( segid " " and resid 1283 and name HB3 )) 3.300 3.300 2.700 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.16327E-02 ppm1 1.026 ppm2 2.009 CV 1 ASSI { 3143} (( segid " " and resid 1265 and name HG2 )) (( segid " " and resid 1265 and name H )) 4.500 2.500 1.500 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 2.430 ppm2 8.116 CV 1 ASSI { 3144} (( segid " " and resid 1265 and name HG2 )) (( segid " " and resid 1265 and name HE22)) 4.000 2.000 2.000 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.92902E-03 ppm1 2.428 ppm2 7.646 CV 1 ASSI { 3148} (( segid " " and resid 1278 and name HB2 )) ( segid " " and resid 1278 and name HE% ) 4.700 2.700 1.300 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.34876E-03 ppm1 2.629 ppm2 7.356 CV 1 ASSI { 3149} (( segid " " and resid 1278 and name HB3 )) ( segid " " and resid 1278 and name HE% ) 4.500 2.500 1.500 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.45061E-03 ppm1 3.133 ppm2 7.358 CV 1 ASSI { 3151} (( segid " " and resid 1278 and name HB2 )) (( segid " " and resid 1249 and name HA )) 3.900 1.900 1.900 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.66356E-03 ppm1 2.629 ppm2 4.115 CV 1 ASSI { 3152} (( segid " " and resid 1317 and name HG )) (( segid " " and resid 1317 and name H )) 2.400 0.700 0.700 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.26204E-02 ppm1 1.749 ppm2 8.626 CV 1 ASSI { 3153} (( segid " " and resid 1317 and name HG )) (( segid " " and resid 1317 and name HA )) 2.800 1.000 1.000 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.29166E-02 ppm1 1.750 ppm2 4.030 CV 1 ASSI { 3154} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1334 and name HB3 )) 3.300 1.400 1.400 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.19352E-02 ppm1 0.823 ppm2 2.128 CV 1 ASSI { 3155} (( segid " " and resid 1333 and name HA )) (( segid " " and resid 1334 and name H )) 3.600 1.700 1.700 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 4.306 ppm2 8.263 CV 1 ASSI { 3157} (( segid " " and resid 1333 and name HA )) (( segid " " and resid 1333 and name HB3 )) 2.400 0.700 0.700 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.67130E-02 ppm1 4.307 ppm2 4.072 CV 1 OR { 3157} (( segid " " and resid 1333 and name HA )) (( segid " " and resid 1333 and name HB2 )) ASSI { 3158} (( segid " " and resid 1333 and name HA )) ( segid " " and resid 1336 and name HB% ) 2.900 1.000 1.000 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.22562E-02 ppm1 4.306 ppm2 1.544 CV 1 ASSI { 3159} (( segid " " and resid 1271 and name HB3 )) ( segid " " and resid 1212 and name HB% ) 3.200 1.300 1.300 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.11451E-02 ppm1 4.065 ppm2 1.556 CV 1 ASSI { 3160} (( segid " " and resid 1334 and name HG2 )) (( segid " " and resid 1334 and name H )) 3.300 1.400 1.400 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.33148E-02 ppm1 2.549 ppm2 8.264 CV 1 ASSI { 3161} (( segid " " and resid 1334 and name HB3 )) (( segid " " and resid 1334 and name H )) 2.700 0.900 0.900 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.26481E-02 ppm1 2.142 ppm2 8.267 CV 1 OR { 3161} (( segid " " and resid 1334 and name HB2 )) (( segid " " and resid 1334 and name H )) ASSI { 3162} (( segid " " and resid 1348 and name HB2 )) (( segid " " and resid 1349 and name H )) 3.100 1.200 1.200 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 2.243 ppm2 7.599 CV 1 OR { 3162} (( segid " " and resid 1348 and name HB3 )) (( segid " " and resid 1349 and name H )) ASSI { 3164} (( segid " " and resid 1230 and name HB2 )) (( segid " " and resid 1230 and name HD2 )) 3.200 1.300 1.300 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 2.286 ppm2 3.772 CV 1 ASSI { 3165} (( segid " " and resid 1258 and name HB2 )) (( segid " " and resid 1258 and name H )) 2.500 0.800 0.800 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.31759E-02 ppm1 2.116 ppm2 8.177 CV 1 ASSI { 3166} (( segid " " and resid 1346 and name HA )) (( segid " " and resid 1308 and name HG13)) 2.400 0.700 0.700 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.28302E-02 ppm1 3.636 ppm2 1.066 CV 1 ASSI { 3167} ( segid " " and resid 1216 and name HG1%) (( segid " " and resid 1309 and name HA )) 3.900 1.900 1.900 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.88890E-03 ppm1 0.263 ppm2 4.313 CV 1 ASSI { 3170} (( segid " " and resid 1225 and name HB3 )) (( segid " " and resid 1226 and name H )) 3.300 1.300 1.300 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.97531E-03 ppm1 3.895 ppm2 8.182 CV 1 ASSI { 3171} ( segid " " and resid 1234 and name HG2%) (( segid " " and resid 1237 and name H )) 4.000 2.000 2.000 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.69752E-03 ppm1 1.318 ppm2 7.793 CV 1 ASSI { 3173} (( segid " " and resid 1313 and name HB3 )) (( segid " " and resid 1216 and name HB )) 3.500 1.500 1.500 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 3.999 ppm2 1.955 CV 1 ASSI { 3174} (( segid " " and resid 1218 and name HA )) (( segid " " and resid 1221 and name HB2 )) 2.500 2.500 3.500 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.37870E-02 ppm1 4.480 ppm2 1.971 CV 1 ASSI { 3175} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1277 and name HB3 )) 2.500 0.800 0.800 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.61204E-02 ppm1 4.478 ppm2 2.356 CV 1 OR { 3175} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1277 and name HB2 )) ASSI { 3176} (( segid " " and resid 1355 and name HB2 )) (( segid " " and resid 1355 and name H )) 3.200 1.200 1.200 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 2.152 ppm2 8.144 CV 1 ASSI { 3179} (( segid " " and resid 1356 and name HG3 )) (( segid " " and resid 1356 and name HE21)) 3.400 1.500 1.500 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.66048E-03 ppm1 2.387 ppm2 6.649 CV 1 OR { 3179} (( segid " " and resid 1356 and name HG2 )) (( segid " " and resid 1356 and name HE21)) ASSI { 3180} (( segid " " and resid 1356 and name HG3 )) (( segid " " and resid 1356 and name HE22)) 4.000 2.000 2.000 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 2.388 ppm2 7.520 CV 1 OR { 3180} (( segid " " and resid 1356 and name HG2 )) (( segid " " and resid 1356 and name HE22)) ASSI { 3181} (( segid " " and resid 1355 and name HG3 )) (( segid " " and resid 1355 and name HE21)) 3.400 1.500 1.500 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.67903E-03 ppm1 2.397 ppm2 6.773 CV 1 OR { 3181} (( segid " " and resid 1355 and name HG2 )) (( segid " " and resid 1355 and name HE21)) ASSI { 3183} (( segid " " and resid 1295 and name HA )) (( segid " " and resid 1298 and name HD3 )) 3.600 1.600 1.600 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.84878E-03 ppm1 4.039 ppm2 3.214 CV 1 ASSI { 3184} (( segid " " and resid 1295 and name HG2 )) (( segid " " and resid 1295 and name HA )) 2.800 1.000 1.000 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.35123E-02 ppm1 2.494 ppm2 4.040 CV 1 OR { 3184} (( segid " " and resid 1295 and name HG3 )) (( segid " " and resid 1295 and name HA )) ASSI { 3185} (( segid " " and resid 1258 and name HA )) (( segid " " and resid 1258 and name H )) 2.600 0.800 0.800 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.38641E-02 ppm1 3.981 ppm2 8.176 CV 1 ASSI { 3186} (( segid " " and resid 1258 and name HA )) (( segid " " and resid 1259 and name H )) 3.300 1.300 1.300 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.12500E-02 ppm1 3.981 ppm2 8.423 CV 1 ASSI { 3187} (( segid " " and resid 1258 and name HA )) (( segid " " and resid 1261 and name H )) 3.400 1.400 1.400 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.82098E-03 ppm1 3.982 ppm2 7.290 CV 1 ASSI { 3189} (( segid " " and resid 1295 and name HG3 )) (( segid " " and resid 1296 and name H )) 3.600 1.600 1.600 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.84878E-03 ppm1 2.494 ppm2 8.960 CV 1 OR { 3189} (( segid " " and resid 1295 and name HG2 )) (( segid " " and resid 1296 and name H )) ASSI { 3190} (( segid " " and resid 1306 and name HG3 )) (( segid " " and resid 1306 and name H )) 3.900 1.900 1.900 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 1.790 ppm2 8.825 CV 1 ASSI { 3191} (( segid " " and resid 1306 and name HG3 )) (( segid " " and resid 1306 and name HE3 )) 3.200 1.300 1.300 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.88582E-03 ppm1 1.790 ppm2 2.855 CV 1 OR { 3191} (( segid " " and resid 1306 and name HG3 )) (( segid " " and resid 1306 and name HE2 )) ASSI { 3192} ( segid " " and resid 1327 and name HB% ) (( segid " " and resid 1328 and name H )) 3.200 1.300 1.300 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 1.448 ppm2 7.452 CV 1 ASSI { 3193} ( segid " " and resid 1327 and name HB% ) (( segid " " and resid 1327 and name H )) 2.200 0.600 0.600 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.11747E-01 ppm1 1.448 ppm2 8.001 CV 1 ASSI { 3194} (( segid " " and resid 1255 and name HG2 )) (( segid " " and resid 1251 and name HE22)) 3.600 1.700 1.700 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.46605E-03 ppm1 2.565 ppm2 6.825 CV 1 ASSI { 2} (( segid " " and resid 1202 and name H )) (( segid " " and resid 1201 and name HA )) 3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 8.505 ppm2 4.256 CV 1 ASSI { 5} (( segid " " and resid 1204 and name H )) (( segid " " and resid 1203 and name HG2 )) 4.000 2.000 2.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.50154E-03 ppm1 8.292 ppm2 1.711 CV 1 ASSI { 12} (( segid " " and resid 1204 and name H )) ( segid " " and resid 1204 and name HD% ) 3.800 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.50154E-03 ppm1 8.292 ppm2 7.345 CV 1 ASSI { 13} (( segid " " and resid 1204 and name H )) (( segid " " and resid 1205 and name H )) 3.600 1.600 1.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.72404E-03 ppm1 8.292 ppm2 8.022 CV 1 ASSI { 15} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1352 and name H )) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.27708E-02 ppm1 8.033 ppm2 7.853 CV 1 ASSI { 18} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1353 and name HA )) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.32529E-02 ppm1 8.034 ppm2 4.555 CV 1 ASSI { 19} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1352 and name HA )) 3.000 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.20838E-02 ppm1 8.034 ppm2 4.344 CV 1 ASSI { 22} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1351 and name HA )) 3.900 1.900 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.46269E-03 ppm1 8.034 ppm2 4.026 CV 1 ASSI { 23} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1350 and name HA )) 3.200 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10543E-02 ppm1 8.033 ppm2 3.821 CV 1 ASSI { 26} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1353 and name HB3 )) 2.800 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.27426E-02 ppm1 8.034 ppm2 3.020 CV 1 ASSI { 27} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1352 and name HG2 )) 4.300 2.400 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 8.032 ppm2 2.800 CV 1 ASSI { 28} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1352 and name HG3 )) 4.500 2.600 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.42207E-03 ppm1 8.033 ppm2 2.684 CV 1 ASSI { 29} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1352 and name HB3 )) 3.300 1.300 1.300 peak 29 spectrum 1 weight 0.10000E+01 volume 0.18984E-02 ppm1 8.034 ppm2 2.320 CV 1 ASSI { 30} (( segid " " and resid 1353 and name H )) ( segid " " and resid 1354 and name HG2%) 4.400 2.400 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.54039E-03 ppm1 8.033 ppm2 1.262 CV 1 ASSI { 32} (( segid " " and resid 1353 and name H )) ( segid " " and resid 1349 and name HD2%) 3.300 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.41147E-03 ppm1 8.034 ppm2 1.071 CV 1 ASSI { 33} (( segid " " and resid 1353 and name H )) ( segid " " and resid 1350 and name HG2%) 4.400 2.400 1.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.30904E-03 ppm1 8.035 ppm2 0.950 CV 1 ASSI { 34} (( segid " " and resid 1353 and name H )) ( segid " " and resid 1350 and name HD1%) 3.400 3.400 2.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.37262E-03 ppm1 8.034 ppm2 0.841 CV 1 ASSI { 35} (( segid " " and resid 1244 and name H )) (( segid " " and resid 1244 and name HB3 )) 2.300 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.71980E-02 ppm1 7.932 ppm2 2.132 CV 1 ASSI { 44} (( segid " " and resid 1206 and name H )) (( segid " " and resid 1205 and name HA )) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.43796E-03 ppm1 7.960 ppm2 4.145 CV 1 ASSI { 46} (( segid " " and resid 1244 and name H )) (( segid " " and resid 1244 and name HA )) 2.600 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.41465E-02 ppm1 7.932 ppm2 4.166 CV 1 ASSI { 47} (( segid " " and resid 1244 and name H )) (( segid " " and resid 1241 and name HA )) 3.200 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11903E-02 ppm1 7.932 ppm2 4.109 CV 1 ASSI { 48} (( segid " " and resid 1244 and name H )) (( segid " " and resid 1243 and name HA )) 3.300 1.300 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.12168E-02 ppm1 7.932 ppm2 4.363 CV 1 ASSI { 49} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1208 and name H )) 3.600 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.44856E-03 ppm1 7.863 ppm2 8.105 CV 1 ASSI { 50} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1350 and name H )) 4.100 2.100 1.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.46798E-03 ppm1 7.848 ppm2 8.402 CV 1 ASSI { 51} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1351 and name H )) 2.600 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.30075E-02 ppm1 7.848 ppm2 8.233 CV 1 ASSI { 54} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1349 and name HA )) 3.200 1.300 1.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 7.848 ppm2 4.246 CV 1 ASSI { 55} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1207 and name HA )) 3.200 1.300 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.10366E-02 ppm1 7.863 ppm2 4.201 CV 1 ASSI { 56} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1348 and name HA )) 4.100 2.100 1.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.54392E-03 ppm1 7.848 ppm2 4.107 CV 1 ASSI { 58} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1351 and name HA )) 3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.13474E-02 ppm1 7.848 ppm2 4.029 CV 1 ASSI { 59} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1350 and name HA )) 3.800 1.800 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.47151E-03 ppm1 7.849 ppm2 3.820 CV 1 ASSI { 62} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1352 and name HB2 )) 2.300 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.54304E-02 ppm1 7.848 ppm2 2.334 CV 1 ASSI { 63} (( segid " " and resid 1352 and name H )) (( segid " " and resid 1350 and name HB )) 3.500 3.500 2.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.34260E-03 ppm1 7.849 ppm2 2.209 CV 1 ASSI { 64} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1206 and name HB2 )) 3.600 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.50507E-03 ppm1 7.860 ppm2 2.092 CV 1 ASSI { 65} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1207 and name HB3 )) 3.200 1.300 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 7.863 ppm2 1.999 CV 1 ASSI { 66} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1314 and name HB3 )) 3.200 1.300 1.300 peak 66 spectrum 1 weight 0.10000E+01 volume 0.35143E-02 ppm1 7.813 ppm2 1.952 CV 1 ASSI { 68} (( segid " " and resid 1207 and name H )) (( segid " " and resid 1207 and name HG2 )) 4.900 3.000 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.32141E-03 ppm1 7.862 ppm2 1.789 CV 1 ASSI { 69} (( segid " " and resid 1216 and name H )) ( segid " " and resid 1213 and name HD2%) 4.400 2.500 1.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.58983E-03 ppm1 8.115 ppm2 0.875 CV 1 ASSI { 71} (( segid " " and resid 1216 and name H )) ( segid " " and resid 1215 and name HB% ) 2.700 0.900 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.31028E-02 ppm1 8.114 ppm2 1.622 CV 1 ASSI { 72} (( segid " " and resid 1216 and name H )) (( segid " " and resid 1216 and name HB )) 2.400 0.700 0.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.46551E-02 ppm1 8.114 ppm2 1.945 CV 1 ASSI { 73} (( segid " " and resid 1208 and name H )) (( segid " " and resid 1208 and name HB3 )) 3.700 1.700 1.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.16971E-02 ppm1 8.097 ppm2 2.805 CV 1 ASSI { 75} (( segid " " and resid 1216 and name H )) (( segid " " and resid 1213 and name HA )) 3.200 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.10649E-02 ppm1 8.114 ppm2 3.901 CV 1 ASSI { 78} (( segid " " and resid 1216 and name H )) (( segid " " and resid 1215 and name HA )) 3.500 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.84238E-03 ppm1 8.114 ppm2 4.261 CV 1 ASSI { 81} (( segid " " and resid 1216 and name H )) (( segid " " and resid 1212 and name HA )) 4.000 2.000 2.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.39911E-03 ppm1 8.114 ppm2 4.399 CV 1 ASSI { 83} (( segid " " and resid 1216 and name H )) (( segid " " and resid 1217 and name H )) 2.600 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.25218E-02 ppm1 8.114 ppm2 8.265 CV 1 ASSI { 84} (( segid " " and resid 1208 and name H )) (( segid " " and resid 1209 and name H )) 3.000 1.100 1.100 peak 84 spectrum 1 weight 0.10000E+01 volume 0.12044E-02 ppm1 8.099 ppm2 8.237 CV 1 ASSI { 85} (( segid " " and resid 1301 and name H )) (( segid " " and resid 1302 and name H )) 2.700 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.24759E-02 ppm1 8.241 ppm2 8.423 CV 1 ASSI { 86} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1243 and name H )) 2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.23735E-02 ppm1 8.236 ppm2 8.428 CV 1 ASSI { 87} (( segid " " and resid 1210 and name H )) (( segid " " and resid 1211 and name H )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.20185E-02 ppm1 8.254 ppm2 8.669 CV 1 ASSI { 88} (( segid " " and resid 1310 and name H )) (( segid " " and resid 1309 and name H )) 2.700 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.21828E-02 ppm1 8.270 ppm2 8.852 CV 1 ASSI { 89} (( segid " " and resid 1310 and name H )) (( segid " " and resid 1311 and name H )) 2.700 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.26348E-02 ppm1 8.270 ppm2 8.773 CV 1 ASSI { 90} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1241 and name H )) 2.800 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.22816E-02 ppm1 8.235 ppm2 8.076 CV 1 ASSI { 94} (( segid " " and resid 1310 and name H )) (( segid " " and resid 1310 and name HA )) 2.400 0.700 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.61158E-02 ppm1 8.270 ppm2 4.324 CV 1 ASSI { 95} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1238 and name HA )) 3.600 1.600 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.73817E-03 ppm1 8.236 ppm2 4.023 CV 1 ASSI { 96} (( segid " " and resid 1301 and name H )) (( segid " " and resid 1298 and name HA )) 3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.97834E-03 ppm1 8.241 ppm2 3.797 CV 1 ASSI { 98} (( segid " " and resid 1301 and name H )) (( segid " " and resid 1301 and name HA )) 2.600 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.26808E-02 ppm1 8.240 ppm2 3.599 CV 1 ASSI { 101} (( segid " " and resid 1310 and name H )) (( segid " " and resid 1310 and name HB3 )) 3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.36044E-02 ppm1 8.270 ppm2 2.378 CV 1 ASSI { 102} (( segid " " and resid 1310 and name H )) (( segid " " and resid 1310 and name HB2 )) 2.500 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.27779E-02 ppm1 8.270 ppm2 2.293 CV 1 ASSI { 103} (( segid " " and resid 1301 and name H )) (( segid " " and resid 1301 and name HB )) 2.400 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.57482E-02 ppm1 8.240 ppm2 2.277 CV 1 ASSI { 104} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1242 and name HB2 )) 2.400 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.35443E-02 ppm1 8.236 ppm2 2.035 CV 1 ASSI { 105} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1241 and name HB3 )) 2.900 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 8.236 ppm2 1.937 CV 1 ASSI { 108} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1242 and name HB3 )) 2.700 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.40759E-02 ppm1 8.236 ppm2 1.246 CV 1 ASSI { 113} (( segid " " and resid 1209 and name H )) ( segid " " and resid 1209 and name HG2%) 3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 8.225 ppm2 0.941 CV 1 ASSI { 116} (( segid " " and resid 1242 and name H )) ( segid " " and resid 1242 and name HD2%) 3.700 1.700 1.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.95891E-03 ppm1 8.235 ppm2 0.830 CV 1 ASSI { 119} (( segid " " and resid 1211 and name H )) (( segid " " and resid 1209 and name H )) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.22675E-02 ppm1 8.666 ppm2 8.259 CV 1 ASSI { 120} (( segid " " and resid 1211 and name H )) (( segid " " and resid 1212 and name H )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.22322E-02 ppm1 8.666 ppm2 7.823 CV 1 ASSI { 122} (( segid " " and resid 1211 and name H )) (( segid " " and resid 1207 and name HA )) 3.900 1.900 1.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.40970E-03 ppm1 8.666 ppm2 4.198 CV 1 ASSI { 123} (( segid " " and resid 1211 and name H )) (( segid " " and resid 1209 and name HA )) 4.300 2.300 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.28609E-03 ppm1 8.666 ppm2 3.743 CV 1 ASSI { 124} (( segid " " and resid 1211 and name H )) (( segid " " and resid 1211 and name HB2 )) 2.600 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.27408E-02 ppm1 8.666 ppm2 3.044 CV 1 ASSI { 128} (( segid " " and resid 1211 and name H )) ( segid " " and resid 1212 and name HB% ) 4.500 2.500 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.54392E-03 ppm1 8.666 ppm2 1.565 CV 1 ASSI { 132} (( segid " " and resid 1211 and name HD21)) (( segid " " and resid 1211 and name HD22)) 2.000 0.500 0.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.82296E-02 ppm1 7.898 ppm2 6.844 CV 1 ASSI { 133} (( segid " " and resid 1211 and name HD21)) (( segid " " and resid 1211 and name H )) 5.000 3.100 1.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.26137E-03 ppm1 7.900 ppm2 8.670 CV 1 ASSI { 135} (( segid " " and resid 1239 and name HE22)) (( segid " " and resid 1239 and name HE21)) 1.600 0.300 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.27627E-01 ppm1 6.847 ppm2 7.128 CV 1 ASSI { 140} (( segid " " and resid 1239 and name HE22)) (( segid " " and resid 1354 and name HA )) 3.800 1.800 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.45386E-03 ppm1 6.847 ppm2 4.445 CV 1 ASSI { 141} (( segid " " and resid 1211 and name HD22)) (( segid " " and resid 1211 and name HA )) 4.100 2.100 1.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.66932E-03 ppm1 6.841 ppm2 4.538 CV 1 ASSI { 144} (( segid " " and resid 1211 and name HD22)) (( segid " " and resid 1211 and name HB3 )) 4.300 2.300 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.82999E-03 ppm1 6.841 ppm2 2.887 CV 1 ASSI { 146} (( segid " " and resid 1239 and name HE21)) (( segid " " and resid 1239 and name HG3 )) 2.800 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.20856E-02 ppm1 7.123 ppm2 2.043 CV 1 OR { 146} (( segid " " and resid 1239 and name HE21)) (( segid " " and resid 1239 and name HG2 )) ASSI { 147} (( segid " " and resid 1239 and name HE22)) (( segid " " and resid 1239 and name HG3 )) 3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.15594E-02 ppm1 6.847 ppm2 2.046 CV 1 OR { 147} (( segid " " and resid 1239 and name HE22)) (( segid " " and resid 1239 and name HG2 )) ASSI { 148} (( segid " " and resid 1212 and name H )) ( segid " " and resid 1209 and name HG2%) 4.300 2.300 1.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 7.822 ppm2 0.941 CV 1 ASSI { 149} (( segid " " and resid 1212 and name H )) ( segid " " and resid 1213 and name HD2%) 4.600 2.700 1.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 7.821 ppm2 0.875 CV 1 ASSI { 150} (( segid " " and resid 1212 and name H )) ( segid " " and resid 1316 and name HD2%) 4.600 2.700 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.31964E-03 ppm1 7.820 ppm2 0.811 CV 1 ASSI { 155} (( segid " " and resid 1212 and name H )) (( segid " " and resid 1213 and name HA )) 4.600 2.700 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.38145E-03 ppm1 7.821 ppm2 3.905 CV 1 ASSI { 156} (( segid " " and resid 1212 and name H )) (( segid " " and resid 1211 and name HA )) 3.300 1.400 1.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 7.821 ppm2 4.528 CV 1 ASSI { 159} (( segid " " and resid 1212 and name H )) (( segid " " and resid 1213 and name H )) 2.600 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.30233E-02 ppm1 7.821 ppm2 8.282 CV 1 ASSI { 160} (( segid " " and resid 1212 and name H )) (( segid " " and resid 1214 and name H )) 4.000 2.000 2.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.47858E-03 ppm1 7.821 ppm2 8.212 CV 1 ASSI { 161} (( segid " " and resid 1212 and name H )) (( segid " " and resid 1215 and name H )) 4.400 2.400 1.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.30904E-03 ppm1 7.822 ppm2 8.127 CV 1 ASSI { 164} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1214 and name H )) 2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.19285E-02 ppm1 8.280 ppm2 8.204 CV 1 ASSI { 165} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1210 and name HA )) 3.400 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.15594E-02 ppm1 8.280 ppm2 4.482 CV 1 ASSI { 167} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1214 and name HA )) 4.600 2.600 1.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.42207E-03 ppm1 8.280 ppm2 4.079 CV 1 ASSI { 168} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1213 and name HA )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.25642E-02 ppm1 8.280 ppm2 3.901 CV 1 ASSI { 169} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1209 and name HA )) 3.400 3.400 2.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.35143E-03 ppm1 8.280 ppm2 3.743 CV 1 ASSI { 171} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1213 and name HB3 )) 3.100 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.37969E-02 ppm1 8.282 ppm2 1.838 CV 1 ASSI { 175} (( segid " " and resid 1214 and name H )) ( segid " " and resid 1213 and name HD1%) 3.000 3.000 3.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.75056E-03 ppm1 8.200 ppm2 0.945 CV 1 ASSI { 176} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1214 and name HG2 )) 4.800 2.900 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.44856E-03 ppm1 8.198 ppm2 1.680 CV 1 ASSI { 178} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1214 and name HB3 )) 2.700 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.28044E-02 ppm1 8.198 ppm2 2.011 CV 1 ASSI { 179} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1214 and name HB2 )) 2.500 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.36750E-02 ppm1 8.198 ppm2 1.959 CV 1 ASSI { 180} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1213 and name HB2 )) 2.600 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.24812E-02 ppm1 8.198 ppm2 1.790 CV 1 ASSI { 181} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1214 and name HA )) 2.800 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 8.199 ppm2 4.078 CV 1 ASSI { 182} (( segid " " and resid 1258 and name H )) (( segid " " and resid 1255 and name HA )) 3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 8.173 ppm2 4.066 CV 1 ASSI { 184} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1213 and name HA )) 3.500 1.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.75940E-03 ppm1 8.198 ppm2 3.899 CV 1 ASSI { 185} (( segid " " and resid 1258 and name H )) (( segid " " and resid 1254 and name HA )) 4.100 2.100 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.55982E-03 ppm1 8.172 ppm2 3.898 CV 1 ASSI { 186} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1212 and name HA )) 4.100 2.200 1.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.30375E-03 ppm1 8.198 ppm2 4.399 CV 1 ASSI { 189} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1214 and name H )) 2.700 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.24706E-02 ppm1 8.125 ppm2 8.207 CV 1 ASSI { 191} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1211 and name HA )) 3.100 3.100 2.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.65519E-03 ppm1 8.125 ppm2 4.521 CV 1 ASSI { 192} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1212 and name HA )) 3.000 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 8.125 ppm2 4.399 CV 1 ASSI { 194} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1214 and name HA )) 3.300 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 8.125 ppm2 4.078 CV 1 ASSI { 195} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1213 and name HA )) 4.100 2.100 1.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.30375E-03 ppm1 8.126 ppm2 3.901 CV 1 ASSI { 196} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1213 and name HB2 )) 4.100 2.100 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.54569E-03 ppm1 8.125 ppm2 1.785 CV 1 ASSI { 197} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1214 and name HB3 )) 2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.21704E-02 ppm1 8.125 ppm2 2.012 CV 1 ASSI { 198} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1214 and name HB2 )) 3.600 1.600 1.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.20326E-02 ppm1 8.125 ppm2 1.960 CV 1 ASSI { 199} (( segid " " and resid 1215 and name H )) ( segid " " and resid 1215 and name HB% ) 2.300 0.700 0.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.77260E-02 ppm1 8.125 ppm2 1.622 CV 1 ASSI { 200} (( segid " " and resid 1215 and name H )) ( segid " " and resid 1216 and name HG2%) 4.600 2.600 1.400 peak 200 spectrum 1 weight 0.10000E+01 volume 0.41677E-03 ppm1 8.125 ppm2 0.792 CV 1 ASSI { 202} (( segid " " and resid 1217 and name H )) (( segid " " and resid 1218 and name H )) 2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 8.260 ppm2 9.099 CV 1 ASSI { 203} (( segid " " and resid 1217 and name H )) (( segid " " and resid 1217 and name HA3 )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.41218E-02 ppm1 8.260 ppm2 4.027 CV 1 ASSI { 205} (( segid " " and resid 1217 and name H )) (( segid " " and resid 1215 and name HA )) 4.000 2.000 2.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.39381E-03 ppm1 8.261 ppm2 4.257 CV 1 ASSI { 206} (( segid " " and resid 1217 and name H )) (( segid " " and resid 1218 and name HA )) 5.200 3.400 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.25783E-03 ppm1 8.258 ppm2 4.481 CV 1 ASSI { 207} (( segid " " and resid 1217 and name H )) (( segid " " and resid 1218 and name HB2 )) 5.100 3.300 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.25607E-03 ppm1 8.259 ppm2 2.839 CV 1 ASSI { 208} (( segid " " and resid 1217 and name H )) (( segid " " and resid 1216 and name HB )) 2.800 0.900 0.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.22252E-02 ppm1 8.260 ppm2 1.945 CV 1 ASSI { 209} (( segid " " and resid 1217 and name H )) ( segid " " and resid 1215 and name HB% ) 3.300 1.300 1.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.46092E-03 ppm1 8.261 ppm2 1.616 CV 1 ASSI { 219} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1217 and name HA3 )) 3.000 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.15046E-02 ppm1 9.097 ppm2 4.029 CV 1 ASSI { 224} (( segid " " and resid 1219 and name H )) (( segid " " and resid 1218 and name H )) 2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.25766E-02 ppm1 8.279 ppm2 9.099 CV 1 ASSI { 225} (( segid " " and resid 1219 and name H )) (( segid " " and resid 1220 and name H )) 2.700 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.27638E-02 ppm1 8.279 ppm2 8.117 CV 1 ASSI { 227} (( segid " " and resid 1219 and name H )) ( segid " " and resid 1278 and name HE% ) 4.500 2.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.28785E-03 ppm1 8.279 ppm2 7.359 CV 1 ASSI { 228} (( segid " " and resid 1219 and name H )) ( segid " " and resid 1278 and name HD% ) 4.600 2.700 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.24194E-03 ppm1 8.278 ppm2 7.135 CV 1 ASSI { 230} (( segid " " and resid 1219 and name H )) (( segid " " and resid 1218 and name HA )) 3.400 1.400 1.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.11461E-02 ppm1 8.279 ppm2 4.483 CV 1 ASSI { 232} (( segid " " and resid 1219 and name H )) (( segid " " and resid 1216 and name HA )) 3.400 1.500 1.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.75056E-03 ppm1 8.279 ppm2 3.784 CV 1 ASSI { 233} (( segid " " and resid 1219 and name H )) (( segid " " and resid 1218 and name HB2 )) 3.300 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.22816E-02 ppm1 8.279 ppm2 2.840 CV 1 ASSI { 238} (( segid " " and resid 1221 and name H )) ( segid " " and resid 1282 and name HD2%) 4.700 2.700 1.300 peak 238 spectrum 1 weight 0.10000E+01 volume 0.31611E-03 ppm1 7.886 ppm2 0.871 CV 1 ASSI { 239} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1221 and name HD3 )) 3.800 1.800 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.11108E-02 ppm1 7.886 ppm2 1.744 CV 1 ASSI { 242} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1221 and name HB3 )) 2.400 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.66368E-02 ppm1 7.885 ppm2 1.973 CV 1 OR { 242} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1221 and name HB2 )) ASSI { 243} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1218 and name HA )) 3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 7.885 ppm2 4.483 CV 1 ASSI { 244} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1220 and name HB2 )) 3.300 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.13828E-02 ppm1 7.885 ppm2 4.233 CV 1 ASSI { 245} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1220 and name HA )) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 7.885 ppm2 4.163 CV 1 ASSI { 247} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1219 and name H )) 3.900 1.900 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.44679E-03 ppm1 7.883 ppm2 8.283 CV 1 ASSI { 248} (( segid " " and resid 1221 and name H )) (( segid " " and resid 1220 and name H )) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.20997E-02 ppm1 7.885 ppm2 8.117 CV 1 ASSI { 249} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1224 and name H )) 4.500 2.500 1.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.36732E-03 ppm1 7.933 ppm2 7.570 CV 1 ASSI { 250} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1220 and name H )) 4.400 2.400 1.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 7.931 ppm2 8.116 CV 1 ASSI { 251} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1218 and name HA )) 3.900 1.900 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.40441E-03 ppm1 7.932 ppm2 4.484 CV 1 ASSI { 252} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1223 and name HA )) 4.800 2.900 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.26666E-03 ppm1 7.935 ppm2 4.364 CV 1 ASSI { 253} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1219 and name HA )) 3.400 1.400 1.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.84593E-03 ppm1 7.933 ppm2 4.259 CV 1 ASSI { 255} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1221 and name HA )) 3.400 1.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.10154E-02 ppm1 7.932 ppm2 4.057 CV 1 ASSI { 256} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1221 and name HB2 )) 2.300 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.77440E-02 ppm1 7.932 ppm2 1.960 CV 1 ASSI { 257} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1222 and name HG2 )) 3.300 1.400 1.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.18861E-02 ppm1 7.932 ppm2 1.758 CV 1 ASSI { 259} (( segid " " and resid 1222 and name H )) (( segid " " and resid 1221 and name HG3 )) 4.300 2.300 1.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.42913E-03 ppm1 7.932 ppm2 1.492 CV 1 ASSI { 260} (( segid " " and resid 1222 and name H )) ( segid " " and resid 1223 and name HD2%) 4.500 2.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.40441E-03 ppm1 7.933 ppm2 0.917 CV 1 OR { 260} (( segid " " and resid 1222 and name H )) ( segid " " and resid 1223 and name HD1%) ASSI { 261} (( segid " " and resid 1222 and name H )) ( segid " " and resid 1282 and name HD2%) 4.400 2.400 1.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.36026E-03 ppm1 7.932 ppm2 0.873 CV 1 ASSI { 262} (( segid " " and resid 1223 and name H )) ( segid " " and resid 1286 and name HG2%) 5.500 3.800 0.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 7.916 ppm2 1.015 CV 1 ASSI { 263} (( segid " " and resid 1223 and name H )) ( segid " " and resid 1223 and name HD2%) 3.500 1.500 1.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 7.917 ppm2 0.918 CV 1 OR { 263} (( segid " " and resid 1223 and name H )) ( segid " " and resid 1223 and name HD1%) ASSI { 264} (( segid " " and resid 1223 and name H )) (( segid " " and resid 1223 and name HB3 )) 3.600 1.600 1.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.17483E-02 ppm1 7.916 ppm2 1.479 CV 1 ASSI { 265} (( segid " " and resid 1240 and name H )) ( segid " " and resid 1238 and name HB% ) 4.600 2.600 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.40441E-03 ppm1 7.920 ppm2 1.392 CV 1 ASSI { 267} (( segid " " and resid 1240 and name H )) (( segid " " and resid 1239 and name HB3 )) 2.400 0.700 0.700 peak 267 spectrum 1 weight 0.10000E+01 volume 0.47116E-02 ppm1 7.920 ppm2 1.936 CV 1 ASSI { 268} (( segid " " and resid 1223 and name H )) (( segid " " and resid 1223 and name HG )) 2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40476E-02 ppm1 7.917 ppm2 1.741 CV 1 ASSI { 272} (( segid " " and resid 1240 and name H )) (( segid " " and resid 1240 and name HA )) 2.600 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.40900E-02 ppm1 7.921 ppm2 4.247 CV 1 ASSI { 274} (( segid " " and resid 1223 and name H )) (( segid " " and resid 1224 and name H )) 2.800 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.23452E-02 ppm1 7.917 ppm2 7.569 CV 1 ASSI { 275} (( segid " " and resid 1223 and name H )) (( segid " " and resid 1225 and name H )) 4.600 2.600 1.400 peak 275 spectrum 1 weight 0.10000E+01 volume 0.20662E-03 ppm1 7.917 ppm2 7.400 CV 1 ASSI { 276} (( segid " " and resid 1240 and name H )) (( segid " " and resid 1242 and name H )) 4.000 2.000 2.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.44679E-03 ppm1 7.921 ppm2 8.241 CV 1 ASSI { 277} (( segid " " and resid 1240 and name H )) (( segid " " and resid 1241 and name H )) 2.600 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.32088E-02 ppm1 7.921 ppm2 8.077 CV 1 ASSI { 278} (( segid " " and resid 1240 and name H )) (( segid " " and resid 1239 and name H )) 2.600 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.30357E-02 ppm1 7.920 ppm2 8.561 CV 1 ASSI { 280} (( segid " " and resid 1224 and name H )) (( segid " " and resid 1225 and name H )) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 7.567 ppm2 7.403 CV 1 ASSI { 286} (( segid " " and resid 1224 and name H )) (( segid " " and resid 1223 and name HB2 )) 3.000 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.96072E-03 ppm1 7.566 ppm2 1.897 CV 1 ASSI { 288} (( segid " " and resid 1224 and name H )) (( segid " " and resid 1224 and name HB3 )) 3.200 1.300 1.300 peak 288 spectrum 1 weight 0.10000E+01 volume 0.15894E-02 ppm1 7.566 ppm2 1.576 CV 1 ASSI { 289} (( segid " " and resid 1224 and name H )) (( segid " " and resid 1223 and name HB3 )) 3.800 1.800 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.78586E-03 ppm1 7.567 ppm2 1.480 CV 1 ASSI { 291} (( segid " " and resid 1224 and name H )) ( segid " " and resid 1223 and name HD1%) 3.100 3.100 2.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.71520E-03 ppm1 7.567 ppm2 0.915 CV 1 OR { 291} (( segid " " and resid 1224 and name H )) ( segid " " and resid 1223 and name HD2%) ASSI { 294} (( segid " " and resid 1225 and name H )) ( segid " " and resid 1224 and name HD1%) 3.200 1.300 1.300 peak 294 spectrum 1 weight 0.10000E+01 volume 0.51037E-03 ppm1 7.399 ppm2 0.849 CV 1 ASSI { 295} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1224 and name HB2 )) 3.600 1.700 1.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.70287E-03 ppm1 7.399 ppm2 2.000 CV 1 ASSI { 296} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1224 and name HG )) 3.900 1.900 1.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.52626E-03 ppm1 7.400 ppm2 1.730 CV 1 ASSI { 297} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1224 and name HB3 )) 3.700 1.800 1.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.61454E-03 ppm1 7.399 ppm2 1.580 CV 1 ASSI { 298} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1225 and name HB2 )) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 7.399 ppm2 3.979 CV 1 ASSI { 300} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1223 and name HA )) 3.900 1.900 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.36909E-03 ppm1 7.399 ppm2 4.367 CV 1 ASSI { 303} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1226 and name H )) 3.900 1.900 1.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.58454E-03 ppm1 7.400 ppm2 8.172 CV 1 ASSI { 304} (( segid " " and resid 1337 and name H )) (( segid " " and resid 1339 and name H )) 3.700 1.700 1.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 8.155 ppm2 8.455 CV 1 ASSI { 305} (( segid " " and resid 1337 and name H )) (( segid " " and resid 1336 and name H )) 2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.35832E-02 ppm1 8.154 ppm2 7.742 CV 1 ASSI { 310} (( segid " " and resid 1337 and name H )) (( segid " " and resid 1337 and name HA )) 2.500 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.60291E-02 ppm1 8.155 ppm2 4.141 CV 1 ASSI { 313} (( segid " " and resid 1337 and name H )) ( segid " " and resid 1337 and name HB% ) 2.200 0.600 0.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11495E-01 ppm1 8.155 ppm2 1.507 CV 1 ASSI { 314} (( segid " " and resid 1227 and name H )) ( segid " " and resid 1227 and name HD2%) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.10755E-02 ppm1 8.041 ppm2 0.903 CV 1 ASSI { 317} (( segid " " and resid 1227 and name H )) (( segid " " and resid 1226 and name HB3 )) 3.500 1.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12733E-02 ppm1 8.040 ppm2 2.716 CV 1 ASSI { 319} (( segid " " and resid 1227 and name H )) (( segid " " and resid 1226 and name HA )) 2.600 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.49730E-02 ppm1 8.041 ppm2 4.558 CV 1 ASSI { 320} (( segid " " and resid 1227 and name H )) (( segid " " and resid 1227 and name HA )) 2.700 0.900 0.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.32459E-02 ppm1 8.041 ppm2 4.401 CV 1 ASSI { 321} (( segid " " and resid 1227 and name H )) (( segid " " and resid 1225 and name HB2 )) 3.400 3.400 2.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.40970E-03 ppm1 8.041 ppm2 3.980 CV 1 ASSI { 322} (( segid " " and resid 1227 and name H )) (( segid " " and resid 1225 and name HB3 )) 3.600 3.600 2.400 peak 322 spectrum 1 weight 0.10000E+01 volume 0.48388E-03 ppm1 8.040 ppm2 3.895 CV 1 ASSI { 323} (( segid " " and resid 1227 and name H )) (( segid " " and resid 1226 and name H )) 3.200 1.300 1.300 peak 323 spectrum 1 weight 0.10000E+01 volume 0.13315E-02 ppm1 8.040 ppm2 8.179 CV 1 ASSI { 324} (( segid " " and resid 1228 and name H )) (( segid " " and resid 1227 and name H )) 4.600 2.600 1.400 peak 324 spectrum 1 weight 0.10000E+01 volume 0.39028E-03 ppm1 8.179 ppm2 8.044 CV 1 ASSI { 326} (( segid " " and resid 1228 and name H )) (( segid " " and resid 1229 and name HD3 )) 4.700 2.800 1.300 peak 326 spectrum 1 weight 0.10000E+01 volume 0.42384E-03 ppm1 8.180 ppm2 3.850 CV 1 ASSI { 327} (( segid " " and resid 1228 and name H )) (( segid " " and resid 1229 and name HD2 )) 4.900 3.000 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.33377E-03 ppm1 8.179 ppm2 3.534 CV 1 ASSI { 329} (( segid " " and resid 1228 and name H )) (( segid " " and resid 1228 and name HB2 )) 2.400 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.52697E-02 ppm1 8.180 ppm2 1.581 CV 1 ASSI { 330} (( segid " " and resid 1228 and name H )) ( segid " " and resid 1228 and name HD1%) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 8.179 ppm2 0.913 CV 1 OR { 330} (( segid " " and resid 1228 and name H )) ( segid " " and resid 1228 and name HD2%) ASSI { 337} (( segid " " and resid 1232 and name H )) (( segid " " and resid 1231 and name H )) 4.300 2.300 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.44679E-03 ppm1 9.007 ppm2 8.600 CV 1 ASSI { 338} (( segid " " and resid 1232 and name H )) (( segid " " and resid 1233 and name H )) 3.700 1.700 1.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 9.008 ppm2 8.390 CV 1 ASSI { 341} (( segid " " and resid 1232 and name H )) (( segid " " and resid 1232 and name HB )) 3.700 1.800 1.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.56158E-03 ppm1 9.007 ppm2 4.325 CV 1 ASSI { 345} (( segid " " and resid 1233 and name H )) ( segid " " and resid 1232 and name HG2%) 3.800 1.800 1.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.66752E-03 ppm1 8.387 ppm2 1.184 CV 1 ASSI { 347} (( segid " " and resid 1233 and name H )) (( segid " " and resid 1233 and name HA2 )) 2.600 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.39364E-02 ppm1 8.386 ppm2 4.324 CV 1 ASSI { 348} (( segid " " and resid 1233 and name H )) (( segid " " and resid 1233 and name HA3 )) 2.800 1.000 1.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.30657E-02 ppm1 8.387 ppm2 4.066 CV 1 ASSI { 349} (( segid " " and resid 1233 and name H )) (( segid " " and resid 1234 and name H )) 3.900 1.900 1.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.85471E-03 ppm1 8.386 ppm2 8.061 CV 1 ASSI { 351} (( segid " " and resid 1234 and name H )) (( segid " " and resid 1233 and name HA2 )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.33447E-02 ppm1 8.057 ppm2 4.323 CV 1 ASSI { 354} (( segid " " and resid 1234 and name H )) (( segid " " and resid 1237 and name HB2 )) 3.000 1.100 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.19037E-02 ppm1 8.057 ppm2 2.131 CV 1 ASSI { 355} (( segid " " and resid 1234 and name H )) (( segid " " and resid 1237 and name HB3 )) 3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 8.058 ppm2 1.989 CV 1 ASSI { 359} (( segid " " and resid 1236 and name H )) (( segid " " and resid 1236 and name HG3 )) 3.700 1.800 1.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 8.695 ppm2 2.543 CV 1 ASSI { 361} (( segid " " and resid 1236 and name H )) (( segid " " and resid 1235 and name HB3 )) 2.900 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.19885E-02 ppm1 8.696 ppm2 3.023 CV 1 ASSI { 363} (( segid " " and resid 1236 and name H )) (( segid " " and resid 1237 and name H )) 2.900 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19285E-02 ppm1 8.696 ppm2 7.788 CV 1 ASSI { 364} (( segid " " and resid 1236 and name H )) ( segid " " and resid 1235 and name HD% ) 3.600 1.600 1.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.75230E-03 ppm1 8.696 ppm2 7.185 CV 1 ASSI { 365} (( segid " " and resid 1236 and name H )) (( segid " " and resid 1238 and name H )) 4.200 2.200 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.39205E-03 ppm1 8.697 ppm2 7.992 CV 1 ASSI { 366} (( segid " " and resid 1236 and name H )) (( segid " " and resid 1235 and name H )) 3.600 1.600 1.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.56511E-03 ppm1 8.695 ppm2 9.089 CV 1 ASSI { 368} (( segid " " and resid 1237 and name H )) (( segid " " and resid 1239 and name H )) 4.200 2.200 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.42737E-03 ppm1 7.785 ppm2 8.560 CV 1 ASSI { 369} (( segid " " and resid 1237 and name H )) (( segid " " and resid 1234 and name H )) 3.900 1.900 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.45032E-03 ppm1 7.785 ppm2 8.065 CV 1 ASSI { 370} (( segid " " and resid 1237 and name H )) (( segid " " and resid 1238 and name H )) 2.600 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.30057E-02 ppm1 7.785 ppm2 7.993 CV 1 ASSI { 372} (( segid " " and resid 1237 and name H )) (( segid " " and resid 1236 and name HG2 )) 4.400 2.400 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.31964E-03 ppm1 7.785 ppm2 2.577 CV 1 ASSI { 374} (( segid " " and resid 1237 and name H )) (( segid " " and resid 1237 and name HB2 )) 2.600 0.800 0.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.31982E-02 ppm1 7.785 ppm2 2.131 CV 1 ASSI { 375} (( segid " " and resid 1237 and name H )) (( segid " " and resid 1237 and name HB3 )) 3.000 1.100 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 7.785 ppm2 1.987 CV 1 ASSI { 376} (( segid " " and resid 1237 and name H )) ( segid " " and resid 1238 and name HB% ) 4.500 2.500 1.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.57924E-03 ppm1 7.785 ppm2 1.392 CV 1 ASSI { 380} (( segid " " and resid 1238 and name H )) (( segid " " and resid 1237 and name HB2 )) 3.300 1.400 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.17413E-02 ppm1 7.988 ppm2 2.130 CV 1 ASSI { 382} (( segid " " and resid 1238 and name H )) ( segid " " and resid 1288 and name HE% ) 4.500 2.500 1.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.38675E-03 ppm1 7.988 ppm2 1.825 CV 1 ASSI { 383} (( segid " " and resid 1238 and name H )) (( segid " " and resid 1239 and name HB2 )) 5.000 3.100 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.30551E-03 ppm1 7.989 ppm2 1.710 CV 1 ASSI { 384} (( segid " " and resid 1238 and name H )) (( segid " " and resid 1238 and name HA )) 2.600 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.45792E-02 ppm1 7.988 ppm2 4.026 CV 1 ASSI { 386} (( segid " " and resid 1238 and name H )) (( segid " " and resid 1239 and name H )) 2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.29916E-02 ppm1 7.989 ppm2 8.561 CV 1 ASSI { 388} (( segid " " and resid 1239 and name H )) (( segid " " and resid 1241 and name H )) 4.200 2.200 1.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.33554E-03 ppm1 8.556 ppm2 8.076 CV 1 ASSI { 391} (( segid " " and resid 1291 and name HE22)) (( segid " " and resid 1291 and name HE21)) 1.900 0.500 0.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10942E-01 ppm1 7.158 ppm2 6.310 CV 1 ASSI { 393} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1241 and name HB2 )) 2.800 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.45474E-02 ppm1 8.074 ppm2 1.826 CV 1 ASSI { 394} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1242 and name HB2 )) 4.500 2.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.48388E-03 ppm1 8.074 ppm2 2.035 CV 1 ASSI { 398} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1241 and name HA )) 2.600 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.37969E-02 ppm1 8.074 ppm2 4.108 CV 1 ASSI { 399} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1240 and name HB2 )) 2.600 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.40512E-02 ppm1 8.074 ppm2 3.999 CV 1 OR { 399} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1240 and name HB3 )) ASSI { 401} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1240 and name HA )) 3.300 1.400 1.400 peak 401 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 8.073 ppm2 4.247 CV 1 ASSI { 402} (( segid " " and resid 1332 and name H )) (( segid " " and resid 1331 and name H )) 2.900 1.000 1.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 8.096 ppm2 7.955 CV 1 ASSI { 406} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1243 and name H )) 4.100 2.100 1.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.38675E-03 ppm1 8.074 ppm2 8.428 CV 1 ASSI { 407} (( segid " " and resid 1302 and name H )) (( segid " " and resid 1303 and name H )) 2.800 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.19585E-02 ppm1 8.419 ppm2 8.507 CV 1 ASSI { 409} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1244 and name H )) 2.600 0.800 0.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.31311E-02 ppm1 8.424 ppm2 7.935 CV 1 ASSI { 410} (( segid " " and resid 1302 and name H )) (( segid " " and resid 1300 and name H )) 3.900 1.900 1.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.41324E-03 ppm1 8.419 ppm2 7.861 CV 1 ASSI { 412} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1243 and name HD21)) 3.800 1.800 1.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.40088E-03 ppm1 8.423 ppm2 7.372 CV 1 ASSI { 413} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1243 and name HD22)) 4.500 2.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.38498E-03 ppm1 8.425 ppm2 6.641 CV 1 ASSI { 415} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1240 and name HA )) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.13686E-02 ppm1 8.424 ppm2 4.247 CV 1 ASSI { 416} (( segid " " and resid 1302 and name H )) (( segid " " and resid 1300 and name HA )) 3.800 1.800 1.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.49624E-03 ppm1 8.419 ppm2 4.204 CV 1 ASSI { 418} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1240 and name HB3 )) 3.400 1.500 1.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.36026E-03 ppm1 8.423 ppm2 4.002 CV 1 OR { 418} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1240 and name HB2 )) ASSI { 419} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1242 and name HA )) 3.300 1.400 1.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.98892E-03 ppm1 8.424 ppm2 3.937 CV 1 ASSI { 420} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1239 and name HA )) 3.600 1.600 1.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.75230E-03 ppm1 8.424 ppm2 3.778 CV 1 ASSI { 422} (( segid " " and resid 1302 and name H )) (( segid " " and resid 1302 and name HA )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.22516E-02 ppm1 8.419 ppm2 3.459 CV 1 ASSI { 425} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1242 and name HB2 )) 3.100 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.24582E-02 ppm1 8.424 ppm2 2.035 CV 1 ASSI { 426} (( segid " " and resid 1302 and name H )) (( segid " " and resid 1301 and name HB )) 3.200 1.300 1.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.29509E-02 ppm1 8.419 ppm2 2.277 CV 1 ASSI { 427} (( segid " " and resid 1302 and name H )) (( segid " " and resid 1302 and name HB )) 2.400 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.41907E-02 ppm1 8.419 ppm2 2.201 CV 1 ASSI { 428} (( segid " " and resid 1302 and name H )) ( segid " " and resid 1289 and name HB% ) 4.000 2.000 2.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.70107E-03 ppm1 8.419 ppm2 1.477 CV 1 ASSI { 430} (( segid " " and resid 1243 and name H )) ( segid " " and resid 1350 and name HD1%) 3.400 1.500 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.92007E-03 ppm1 8.424 ppm2 0.834 CV 1 ASSI { 433} (( segid " " and resid 1302 and name H )) ( segid " " and resid 1305 and name HD1%) 4.700 2.800 1.300 peak 433 spectrum 1 weight 0.10000E+01 volume 0.36026E-03 ppm1 8.418 ppm2 0.656 CV 1 ASSI { 439} (( segid " " and resid 1243 and name HD21)) (( segid " " and resid 1243 and name HD22)) 1.900 0.400 0.400 peak 439 spectrum 1 weight 0.10000E+01 volume 0.12377E-01 ppm1 7.368 ppm2 6.639 CV 1 ASSI { 441} (( segid " " and resid 1243 and name HD22)) (( segid " " and resid 1240 and name HA )) 4.400 2.400 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.37085E-03 ppm1 6.635 ppm2 4.246 CV 1 ASSI { 450} (( segid " " and resid 1339 and name H )) ( segid " " and resid 1341 and name HB% ) 3.800 1.800 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.93775E-03 ppm1 8.455 ppm2 1.593 CV 1 ASSI { 455} (( segid " " and resid 1252 and name H )) (( segid " " and resid 1250 and name HB2 )) 4.500 2.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.45562E-03 ppm1 8.549 ppm2 2.838 CV 1 OR { 455} (( segid " " and resid 1252 and name H )) (( segid " " and resid 1250 and name HB3 )) ASSI { 456} (( segid " " and resid 1245 and name H )) (( segid " " and resid 1243 and name HB3 )) 3.500 3.500 2.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.33730E-03 ppm1 8.475 ppm2 2.842 CV 1 ASSI { 458} (( segid " " and resid 1339 and name H )) (( segid " " and resid 1338 and name HA )) 3.300 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 8.454 ppm2 4.219 CV 1 ASSI { 460} (( segid " " and resid 1339 and name H )) (( segid " " and resid 1337 and name HA )) 3.600 1.600 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.77882E-03 ppm1 8.454 ppm2 4.134 CV 1 ASSI { 461} (( segid " " and resid 1245 and name H )) (( segid " " and resid 1241 and name HA )) 3.800 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.60570E-03 ppm1 8.474 ppm2 4.109 CV 1 ASSI { 463} (( segid " " and resid 1245 and name H )) (( segid " " and resid 1242 and name HA )) 3.000 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 8.473 ppm2 3.942 CV 1 ASSI { 464} (( segid " " and resid 1245 and name H )) ( segid " " and resid 1281 and name HD% ) 4.500 2.600 1.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.32141E-03 ppm1 8.475 ppm2 6.658 CV 1 ASSI { 465} (( segid " " and resid 1245 and name H )) (( segid " " and resid 1244 and name H )) 2.500 0.800 0.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.37262E-02 ppm1 8.474 ppm2 7.936 CV 1 ASSI { 466} (( segid " " and resid 1245 and name H )) (( segid " " and resid 1246 and name H )) 2.500 0.800 0.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.32989E-02 ppm1 8.475 ppm2 9.445 CV 1 ASSI { 468} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1248 and name H )) 3.900 1.900 1.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.42384E-03 ppm1 9.442 ppm2 8.014 CV 1 ASSI { 469} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1244 and name H )) 3.800 1.800 1.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.52097E-03 ppm1 9.441 ppm2 7.936 CV 1 ASSI { 470} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1247 and name H )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.28009E-02 ppm1 9.441 ppm2 7.749 CV 1 ASSI { 471} (( segid " " and resid 1246 and name H )) ( segid " " and resid 1281 and name HE% ) 4.100 2.100 1.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.56158E-03 ppm1 9.441 ppm2 6.985 CV 1 ASSI { 472} (( segid " " and resid 1246 and name H )) ( segid " " and resid 1281 and name HD% ) 3.300 1.300 1.300 peak 472 spectrum 1 weight 0.10000E+01 volume 0.10101E-02 ppm1 9.441 ppm2 6.661 CV 1 ASSI { 473} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1243 and name HA )) 3.300 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.12009E-02 ppm1 9.441 ppm2 4.362 CV 1 ASSI { 475} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1247 and name HA )) 5.300 3.500 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.20838E-03 ppm1 9.441 ppm2 4.243 CV 1 ASSI { 476} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1244 and name HA )) 4.000 2.000 2.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.39735E-03 ppm1 9.441 ppm2 4.165 CV 1 ASSI { 478} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1242 and name HA )) 3.400 1.500 1.500 peak 478 spectrum 1 weight 0.10000E+01 volume 0.73992E-03 ppm1 9.442 ppm2 3.942 CV 1 ASSI { 479} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1243 and name HB3 )) 3.400 3.400 2.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.34966E-03 ppm1 9.441 ppm2 2.839 CV 1 ASSI { 480} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1244 and name HB3 )) 4.300 2.300 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.34437E-03 ppm1 9.441 ppm2 2.129 CV 1 ASSI { 484} (( segid " " and resid 1246 and name H )) ( segid " " and resid 1350 and name HD1%) 3.900 1.900 1.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.73288E-03 ppm1 9.442 ppm2 0.850 CV 1 ASSI { 486} (( segid " " and resid 1336 and name H )) ( segid " " and resid 1257 and name HG1%) 3.800 1.800 1.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.71346E-03 ppm1 7.739 ppm2 0.971 CV 1 ASSI { 487} (( segid " " and resid 1336 and name H )) ( segid " " and resid 1335 and name HD2%) 3.400 1.400 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13668E-02 ppm1 7.739 ppm2 0.884 CV 1 ASSI { 492} (( segid " " and resid 1336 and name H )) ( segid " " and resid 1339 and name HB% ) 4.300 2.300 1.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.38675E-03 ppm1 7.738 ppm2 1.379 CV 1 ASSI { 494} (( segid " " and resid 1336 and name H )) (( segid " " and resid 1335 and name HB2 )) 3.300 1.300 1.300 peak 494 spectrum 1 weight 0.10000E+01 volume 0.28909E-02 ppm1 7.738 ppm2 2.040 CV 1 ASSI { 495} (( segid " " and resid 1247 and name H )) (( segid " " and resid 1250 and name HB2 )) 3.800 1.800 1.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.59867E-03 ppm1 7.746 ppm2 2.839 CV 1 ASSI { 496} (( segid " " and resid 1336 and name H )) (( segid " " and resid 1336 and name HA )) 2.600 0.800 0.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.41624E-02 ppm1 7.739 ppm2 4.005 CV 1 ASSI { 497} (( segid " " and resid 1336 and name H )) (( segid " " and resid 1335 and name HA )) 3.000 1.100 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17660E-02 ppm1 7.738 ppm2 3.916 CV 1 ASSI { 499} (( segid " " and resid 1336 and name H )) (( segid " " and resid 1333 and name HA )) 3.000 1.100 1.100 peak 499 spectrum 1 weight 0.10000E+01 volume 0.19002E-02 ppm1 7.737 ppm2 4.309 CV 1 ASSI { 501} (( segid " " and resid 1247 and name H )) (( segid " " and resid 1244 and name HA )) 3.100 1.200 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.15735E-02 ppm1 7.745 ppm2 4.162 CV 1 ASSI { 502} (( segid " " and resid 1336 and name H )) (( segid " " and resid 1335 and name H )) 2.700 0.900 0.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.24847E-02 ppm1 7.737 ppm2 7.832 CV 1 ASSI { 503} (( segid " " and resid 1247 and name H )) (( segid " " and resid 1248 and name H )) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.36114E-02 ppm1 7.746 ppm2 8.015 CV 1 ASSI { 505} (( segid " " and resid 1247 and name H )) (( segid " " and resid 1245 and name H )) 3.900 1.900 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.81057E-03 ppm1 7.746 ppm2 8.483 CV 1 ASSI { 506} (( segid " " and resid 1248 and name H )) (( segid " " and resid 1250 and name H )) 4.000 2.000 2.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.49977E-03 ppm1 8.012 ppm2 8.502 CV 1 ASSI { 507} (( segid " " and resid 1248 and name H )) (( segid " " and resid 1249 and name H )) 2.900 1.000 1.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.19285E-02 ppm1 8.012 ppm2 8.143 CV 1 ASSI { 510} (( segid " " and resid 1248 and name H )) (( segid " " and resid 1247 and name HA )) 3.500 1.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.94478E-03 ppm1 8.011 ppm2 4.243 CV 1 ASSI { 511} (( segid " " and resid 1248 and name H )) (( segid " " and resid 1244 and name HA )) 3.700 1.700 1.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.52273E-03 ppm1 8.010 ppm2 4.163 CV 1 ASSI { 512} (( segid " " and resid 1248 and name H )) (( segid " " and resid 1248 and name HA3 )) 2.300 0.700 0.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.54657E-02 ppm1 8.012 ppm2 3.969 CV 1 ASSI { 514} (( segid " " and resid 1248 and name H )) (( segid " " and resid 1250 and name HB2 )) 4.400 2.500 1.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.25960E-03 ppm1 8.012 ppm2 2.839 CV 1 ASSI { 515} (( segid " " and resid 1248 and name H )) ( segid " " and resid 1246 and name HB% ) 4.200 2.200 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.63048E-03 ppm1 8.011 ppm2 1.647 CV 1 ASSI { 517} (( segid " " and resid 1248 and name H )) (( segid " " and resid 1249 and name HB2 )) 5.000 3.100 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.27196E-03 ppm1 8.011 ppm2 0.994 CV 1 ASSI { 521} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1249 and name HB3 )) 2.600 0.800 0.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.32865E-02 ppm1 8.139 ppm2 1.660 CV 1 ASSI { 522} (( segid " " and resid 1249 and name H )) ( segid " " and resid 1247 and name HB% ) 4.400 2.400 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.58628E-03 ppm1 8.139 ppm2 1.585 CV 1 ASSI { 523} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1249 and name HG )) 4.300 2.300 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.66752E-03 ppm1 8.138 ppm2 1.366 CV 1 ASSI { 524} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1249 and name HB2 )) 2.600 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.31541E-02 ppm1 8.139 ppm2 0.998 CV 1 ASSI { 525} (( segid " " and resid 1249 and name H )) ( segid " " and resid 1252 and name HB% ) 4.400 2.400 1.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.46798E-03 ppm1 8.139 ppm2 1.856 CV 1 ASSI { 526} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1277 and name HB3 )) 4.000 2.000 2.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.47328E-03 ppm1 8.137 ppm2 2.363 CV 1 OR { 526} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1277 and name HB2 )) ASSI { 527} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1250 and name HB2 )) 4.000 2.000 2.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.92891E-03 ppm1 8.139 ppm2 2.838 CV 1 ASSI { 528} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1249 and name HA )) 2.700 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.24476E-02 ppm1 8.139 ppm2 4.123 CV 1 ASSI { 529} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1246 and name HA )) 3.100 1.200 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.13739E-02 ppm1 8.139 ppm2 4.021 CV 1 ASSI { 530} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1248 and name HA3 )) 2.900 1.000 1.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 8.139 ppm2 3.969 CV 1 ASSI { 532} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1245 and name HA )) 3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.44679E-03 ppm1 8.138 ppm2 4.308 CV 1 ASSI { 533} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1247 and name HA )) 4.300 2.300 1.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.28609E-03 ppm1 8.138 ppm2 4.242 CV 1 ASSI { 534} (( segid " " and resid 1249 and name H )) ( segid " " and resid 1281 and name HD% ) 4.400 2.400 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.35673E-03 ppm1 8.139 ppm2 6.661 CV 1 ASSI { 536} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1247 and name H )) 4.200 2.200 1.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.33200E-03 ppm1 8.138 ppm2 7.749 CV 1 ASSI { 537} (( segid " " and resid 1249 and name H )) (( segid " " and resid 1250 and name H )) 2.700 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.25571E-02 ppm1 8.139 ppm2 8.511 CV 1 ASSI { 539} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1251 and name H )) 2.600 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.30163E-02 ppm1 8.507 ppm2 8.094 CV 1 ASSI { 540} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1250 and name HD22)) 5.000 3.100 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.27196E-03 ppm1 8.508 ppm2 7.265 CV 1 ASSI { 541} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1250 and name HD21)) 4.700 2.700 1.300 peak 541 spectrum 1 weight 0.10000E+01 volume 0.23134E-03 ppm1 8.507 ppm2 6.374 CV 1 ASSI { 546} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1271 and name HA )) 2.600 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.34366E-02 ppm1 8.488 ppm2 4.104 CV 1 ASSI { 547} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1268 and name HA )) 3.100 1.200 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 8.488 ppm2 3.925 CV 1 ASSI { 548} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1267 and name HA )) 3.700 1.700 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.54922E-03 ppm1 8.488 ppm2 3.830 CV 1 ASSI { 549} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1271 and name HB2 )) 2.800 1.000 1.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.17289E-02 ppm1 8.488 ppm2 3.614 CV 1 ASSI { 550} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1246 and name HA )) 3.300 1.400 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.97659E-03 ppm1 8.503 ppm2 4.027 CV 1 ASSI { 552} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1251 and name HB3 )) 4.800 2.800 1.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.39558E-03 ppm1 8.507 ppm2 2.294 CV 1 ASSI { 553} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1251 and name HB2 )) 5.000 3.100 1.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.29315E-03 ppm1 8.507 ppm2 2.227 CV 1 ASSI { 554} (( segid " " and resid 1250 and name H )) ( segid " " and resid 1252 and name HB% ) 4.400 2.400 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.32494E-03 ppm1 8.507 ppm2 1.857 CV 1 ASSI { 555} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1249 and name HB3 )) 2.800 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18578E-02 ppm1 8.507 ppm2 1.658 CV 1 ASSI { 556} (( segid " " and resid 1250 and name H )) ( segid " " and resid 1247 and name HB% ) 3.900 1.900 1.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.82296E-03 ppm1 8.507 ppm2 1.588 CV 1 ASSI { 557} (( segid " " and resid 1271 and name H )) ( segid " " and resid 1270 and name HB% ) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.22587E-02 ppm1 8.488 ppm2 1.488 CV 1 ASSI { 558} (( segid " " and resid 1271 and name H )) ( segid " " and resid 1319 and name HB% ) 3.200 3.200 2.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.54922E-03 ppm1 8.489 ppm2 1.413 CV 1 ASSI { 560} (( segid " " and resid 1271 and name H )) ( segid " " and resid 1256 and name HD1%) 4.400 2.400 1.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.43796E-03 ppm1 8.488 ppm2 0.595 CV 1 ASSI { 561} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1249 and name HB2 )) 3.800 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.12362E-02 ppm1 8.506 ppm2 0.996 CV 1 ASSI { 562} (( segid " " and resid 1250 and name H )) ( segid " " and resid 1346 and name HG2%) 3.800 1.800 1.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.52802E-03 ppm1 8.506 ppm2 0.878 CV 1 ASSI { 563} (( segid " " and resid 1250 and name H )) ( segid " " and resid 1346 and name HD1%) 3.300 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 8.507 ppm2 0.542 CV 1 ASSI { 564} (( segid " " and resid 1250 and name H )) ( segid " " and resid 1249 and name HD1%) 4.600 2.600 1.400 peak 564 spectrum 1 weight 0.10000E+01 volume 0.44503E-03 ppm1 8.507 ppm2 0.379 CV 1 ASSI { 565} (( segid " " and resid 1250 and name H )) ( segid " " and resid 1249 and name HD2%) 4.500 2.600 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.49094E-03 ppm1 8.506 ppm2 0.196 CV 1 ASSI { 566} (( segid " " and resid 1250 and name HD22)) ( segid " " and resid 1343 and name HG2%) 4.100 2.100 1.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.33377E-03 ppm1 7.259 ppm2 1.271 CV 1 ASSI { 569} (( segid " " and resid 1250 and name HD22)) (( segid " " and resid 1250 and name HB2 )) 3.700 1.700 1.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.16211E-02 ppm1 7.261 ppm2 2.838 CV 1 OR { 569} (( segid " " and resid 1250 and name HD22)) (( segid " " and resid 1250 and name HB3 )) ASSI { 571} (( segid " " and resid 1250 and name HD22)) (( segid " " and resid 1250 and name HD21)) 1.900 0.400 0.400 peak 571 spectrum 1 weight 0.10000E+01 volume 0.11861E-01 ppm1 7.261 ppm2 6.371 CV 1 ASSI { 578} (( segid " " and resid 1251 and name H )) ( segid " " and resid 1252 and name HB% ) 4.300 2.300 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.66577E-03 ppm1 8.087 ppm2 1.856 CV 1 ASSI { 584} (( segid " " and resid 1251 and name H )) (( segid " " and resid 1247 and name HA )) 3.900 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.63396E-03 ppm1 8.087 ppm2 4.244 CV 1 ASSI { 585} (( segid " " and resid 1251 and name H )) (( segid " " and resid 1251 and name HA )) 2.600 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.35408E-02 ppm1 8.087 ppm2 4.131 CV 1 ASSI { 586} (( segid " " and resid 1251 and name H )) (( segid " " and resid 1248 and name HA3 )) 4.500 2.500 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.41854E-03 ppm1 8.086 ppm2 3.968 CV 1 ASSI { 587} (( segid " " and resid 1251 and name H )) (( segid " " and resid 1248 and name HA2 )) 3.400 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.71700E-03 ppm1 8.086 ppm2 3.884 CV 1 ASSI { 588} (( segid " " and resid 1251 and name H )) (( segid " " and resid 1252 and name H )) 2.500 0.800 0.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.43002E-02 ppm1 8.087 ppm2 8.541 CV 1 ASSI { 589} (( segid " " and resid 1252 and name H )) (( segid " " and resid 1253 and name H )) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.25695E-02 ppm1 8.549 ppm2 8.819 CV 1 ASSI { 591} (( segid " " and resid 1252 and name H )) ( segid " " and resid 1274 and name HD% ) 5.000 3.100 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.31434E-03 ppm1 8.548 ppm2 6.926 CV 1 ASSI { 592} (( segid " " and resid 1252 and name H )) (( segid " " and resid 1250 and name HA )) 3.900 1.900 1.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.44326E-03 ppm1 8.550 ppm2 4.399 CV 1 ASSI { 593} (( segid " " and resid 1252 and name H )) (( segid " " and resid 1252 and name HA )) 2.500 0.800 0.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.44326E-02 ppm1 8.549 ppm2 4.156 CV 1 ASSI { 594} (( segid " " and resid 1252 and name H )) (( segid " " and resid 1248 and name HA2 )) 3.800 1.800 1.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.47328E-03 ppm1 8.548 ppm2 3.892 CV 1 ASSI { 596} (( segid " " and resid 1252 and name H )) (( segid " " and resid 1251 and name HB2 )) 3.500 1.500 1.500 peak 596 spectrum 1 weight 0.10000E+01 volume 0.20574E-02 ppm1 8.549 ppm2 2.222 CV 1 ASSI { 598} (( segid " " and resid 1252 and name H )) ( segid " " and resid 1253 and name HB% ) 4.300 2.300 1.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.65519E-03 ppm1 8.549 ppm2 1.591 CV 1 ASSI { 600} (( segid " " and resid 1252 and name H )) ( segid " " and resid 1249 and name HD1%) 4.400 2.400 1.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.53332E-03 ppm1 8.549 ppm2 0.379 CV 1 ASSI { 601} (( segid " " and resid 1253 and name H )) ( segid " " and resid 1249 and name HD1%) 3.800 1.800 1.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.73643E-03 ppm1 8.816 ppm2 0.388 CV 1 ASSI { 602} (( segid " " and resid 1253 and name H )) (( segid " " and resid 1249 and name HG )) 3.800 1.800 1.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.39028E-03 ppm1 8.815 ppm2 1.374 CV 1 ASSI { 603} (( segid " " and resid 1253 and name H )) ( segid " " and resid 1254 and name HG2%) 4.900 3.000 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.38675E-03 ppm1 8.815 ppm2 1.273 CV 1 ASSI { 604} (( segid " " and resid 1253 and name H )) ( segid " " and resid 1342 and name HG1%) 4.300 2.300 1.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.39028E-03 ppm1 8.815 ppm2 0.986 CV 1 ASSI { 607} (( segid " " and resid 1253 and name H )) (( segid " " and resid 1250 and name HB3 )) 4.300 2.300 1.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.34613E-03 ppm1 8.815 ppm2 2.836 CV 1 ASSI { 609} (( segid " " and resid 1253 and name H )) (( segid " " and resid 1252 and name HA )) 3.200 1.300 1.300 peak 609 spectrum 1 weight 0.10000E+01 volume 0.14375E-02 ppm1 8.815 ppm2 4.149 CV 1 ASSI { 610} (( segid " " and resid 1253 and name H )) (( segid " " and resid 1253 and name HA )) 2.700 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.29280E-02 ppm1 8.815 ppm2 4.045 CV 1 ASSI { 611} (( segid " " and resid 1253 and name H )) (( segid " " and resid 1254 and name HA )) 4.700 2.700 1.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.39735E-03 ppm1 8.815 ppm2 3.903 CV 1 ASSI { 613} (( segid " " and resid 1253 and name H )) ( segid " " and resid 1274 and name HE% ) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.76998E-03 ppm1 8.816 ppm2 7.120 CV 1 ASSI { 614} (( segid " " and resid 1253 and name H )) ( segid " " and resid 1274 and name HD% ) 3.200 1.300 1.300 peak 614 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 8.816 ppm2 6.925 CV 1 ASSI { 616} (( segid " " and resid 1253 and name H )) (( segid " " and resid 1254 and name H )) 2.600 0.900 0.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.29880E-02 ppm1 8.815 ppm2 8.100 CV 1 ASSI { 618} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1255 and name H )) 2.600 0.900 0.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.28733E-02 ppm1 8.098 ppm2 8.729 CV 1 ASSI { 619} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1252 and name H )) 4.100 2.100 1.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.35849E-03 ppm1 8.097 ppm2 8.550 CV 1 ASSI { 620} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1256 and name H )) 4.100 2.100 1.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.43973E-03 ppm1 8.097 ppm2 7.893 CV 1 ASSI { 622} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1251 and name HA )) 3.000 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16635E-02 ppm1 8.098 ppm2 4.132 CV 1 ASSI { 623} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1253 and name HA )) 3.300 1.300 1.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.11885E-02 ppm1 8.098 ppm2 4.047 CV 1 ASSI { 625} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1255 and name HB2 )) 4.400 2.400 1.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.50860E-03 ppm1 8.098 ppm2 2.141 CV 1 ASSI { 626} (( segid " " and resid 1254 and name H )) ( segid " " and resid 1252 and name HB% ) 4.400 2.400 1.600 peak 626 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 8.098 ppm2 1.857 CV 1 ASSI { 627} (( segid " " and resid 1254 and name H )) ( segid " " and resid 1253 and name HB% ) 2.600 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.36785E-02 ppm1 8.098 ppm2 1.592 CV 1 ASSI { 629} (( segid " " and resid 1254 and name H )) ( segid " " and resid 1257 and name HG1%) 4.900 3.000 1.100 peak 629 spectrum 1 weight 0.10000E+01 volume 0.34260E-03 ppm1 8.098 ppm2 0.976 CV 1 ASSI { 631} (( segid " " and resid 1255 and name H )) (( segid " " and resid 1256 and name HB2 )) 4.600 2.600 1.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.39558E-03 ppm1 8.726 ppm2 1.647 CV 1 ASSI { 632} (( segid " " and resid 1255 and name H )) ( segid " " and resid 1253 and name HB% ) 4.300 2.300 1.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.44856E-03 ppm1 8.724 ppm2 1.593 CV 1 ASSI { 634} (( segid " " and resid 1255 and name H )) (( segid " " and resid 1255 and name HB2 )) 2.300 0.600 0.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.53368E-02 ppm1 8.725 ppm2 2.141 CV 1 ASSI { 637} (( segid " " and resid 1255 and name H )) (( segid " " and resid 1252 and name HA )) 3.100 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 8.725 ppm2 4.158 CV 1 ASSI { 641} (( segid " " and resid 1255 and name H )) (( segid " " and resid 1256 and name H )) 2.700 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.24706E-02 ppm1 8.725 ppm2 7.893 CV 1 ASSI { 642} (( segid " " and resid 1255 and name H )) (( segid " " and resid 1257 and name H )) 4.100 2.100 1.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.35319E-03 ppm1 8.725 ppm2 7.587 CV 1 ASSI { 644} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1257 and name H )) 2.600 0.800 0.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.27108E-02 ppm1 7.889 ppm2 7.586 CV 1 ASSI { 646} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1259 and name H )) 4.200 2.200 1.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.30375E-03 ppm1 7.891 ppm2 8.425 CV 1 ASSI { 647} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1258 and name H )) 4.200 2.200 1.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.46092E-03 ppm1 7.889 ppm2 8.173 CV 1 ASSI { 649} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1252 and name HA )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.51213E-03 ppm1 7.888 ppm2 4.163 CV 1 ASSI { 650} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1256 and name HA )) 2.600 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.34084E-02 ppm1 7.889 ppm2 4.008 CV 1 ASSI { 651} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1254 and name HA )) 4.000 2.000 2.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.41854E-03 ppm1 7.889 ppm2 3.900 CV 1 ASSI { 652} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1255 and name HA )) 3.100 1.200 1.200 peak 652 spectrum 1 weight 0.10000E+01 volume 0.17377E-02 ppm1 7.889 ppm2 4.059 CV 1 ASSI { 653} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1257 and name HA )) 4.900 3.000 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.28432E-03 ppm1 7.889 ppm2 3.415 CV 1 ASSI { 654} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1257 and name HB )) 4.500 2.500 1.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.53509E-03 ppm1 7.889 ppm2 2.294 CV 1 ASSI { 655} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1255 and name HB2 )) 2.800 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.20415E-02 ppm1 7.889 ppm2 2.141 CV 1 OR { 655} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1255 and name HB3 )) ASSI { 657} (( segid " " and resid 1256 and name H )) (( segid " " and resid 1256 and name HB2 )) 2.300 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.44255E-02 ppm1 7.889 ppm2 1.650 CV 1 ASSI { 659} (( segid " " and resid 1256 and name H )) ( segid " " and resid 1259 and name HB% ) 3.900 1.900 1.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.69578E-03 ppm1 7.889 ppm2 1.387 CV 1 ASSI { 664} (( segid " " and resid 1257 and name H )) ( segid " " and resid 1257 and name HG2%) 2.900 1.000 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.17165E-02 ppm1 7.583 ppm2 0.902 CV 1 ASSI { 665} (( segid " " and resid 1257 and name H )) ( segid " " and resid 1315 and name HD2%) 4.300 2.300 1.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.35496E-03 ppm1 7.583 ppm2 0.810 CV 1 ASSI { 669} (( segid " " and resid 1257 and name H )) ( segid " " and resid 1254 and name HG2%) 4.400 2.400 1.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.29668E-03 ppm1 7.581 ppm2 1.275 CV 1 ASSI { 672} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1257 and name HB )) 2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.42013E-02 ppm1 7.583 ppm2 2.284 CV 1 ASSI { 673} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1255 and name HB2 )) 4.200 2.200 1.800 peak 673 spectrum 1 weight 0.10000E+01 volume 0.51037E-03 ppm1 7.583 ppm2 2.146 CV 1 ASSI { 674} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1256 and name HA )) 3.100 1.200 1.200 peak 674 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 7.583 ppm2 3.998 CV 1 ASSI { 678} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1259 and name H )) 3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.47505E-03 ppm1 7.583 ppm2 8.424 CV 1 ASSI { 679} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1258 and name H )) 2.700 0.900 0.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.25342E-02 ppm1 7.583 ppm2 8.175 CV 1 ASSI { 686} (( segid " " and resid 1258 and name H )) (( segid " " and resid 1258 and name HB3 )) 3.100 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.38110E-02 ppm1 8.173 ppm2 2.168 CV 1 ASSI { 687} (( segid " " and resid 1258 and name H )) ( segid " " and resid 1259 and name HB% ) 4.200 2.200 1.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.68165E-03 ppm1 8.172 ppm2 1.383 CV 1 ASSI { 688} (( segid " " and resid 1258 and name H )) ( segid " " and resid 1254 and name HG2%) 3.900 1.900 1.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.43796E-03 ppm1 8.173 ppm2 1.275 CV 1 ASSI { 691} (( segid " " and resid 1259 and name H )) ( segid " " and resid 1257 and name HG1%) 5.000 3.100 1.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.23841E-03 ppm1 8.417 ppm2 0.978 CV 1 ASSI { 692} (( segid " " and resid 1259 and name H )) ( segid " " and resid 1257 and name HG2%) 5.000 3.100 1.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.33730E-03 ppm1 8.419 ppm2 0.901 CV 1 ASSI { 693} (( segid " " and resid 1259 and name H )) ( segid " " and resid 1267 and name HD1%) 4.800 2.800 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 8.420 ppm2 0.788 CV 1 ASSI { 694} (( segid " " and resid 1259 and name H )) ( segid " " and resid 1256 and name HD2%) 5.100 3.200 0.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.22781E-03 ppm1 8.421 ppm2 0.701 CV 1 ASSI { 695} (( segid " " and resid 1259 and name H )) ( segid " " and resid 1270 and name HB% ) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 8.419 ppm2 1.487 CV 1 ASSI { 696} (( segid " " and resid 1259 and name H )) ( segid " " and resid 1259 and name HB% ) 2.300 0.700 0.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.70584E-02 ppm1 8.420 ppm2 1.384 CV 1 ASSI { 699} (( segid " " and resid 1259 and name H )) (( segid " " and resid 1257 and name HB )) 4.800 2.900 1.200 peak 699 spectrum 1 weight 0.10000E+01 volume 0.35849E-03 ppm1 8.418 ppm2 2.285 CV 1 ASSI { 702} (( segid " " and resid 1259 and name H )) (( segid " " and resid 1255 and name HA )) 3.300 1.400 1.400 peak 702 spectrum 1 weight 0.10000E+01 volume 0.94478E-03 ppm1 8.419 ppm2 4.069 CV 1 ASSI { 704} (( segid " " and resid 1259 and name H )) (( segid " " and resid 1260 and name H )) 2.700 0.900 0.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.24512E-02 ppm1 8.420 ppm2 7.773 CV 1 ASSI { 707} (( segid " " and resid 1259 and name H )) (( segid " " and resid 1258 and name H )) 2.600 0.800 0.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.30322E-02 ppm1 8.419 ppm2 8.175 CV 1 ASSI { 709} (( segid " " and resid 1260 and name H )) (( segid " " and resid 1258 and name H )) 4.100 2.100 1.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.40617E-03 ppm1 7.767 ppm2 8.175 CV 1 ASSI { 710} (( segid " " and resid 1260 and name H )) (( segid " " and resid 1261 and name H )) 2.800 1.000 1.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.22286E-02 ppm1 7.768 ppm2 7.288 CV 1 ASSI { 711} (( segid " " and resid 1260 and name H )) (( segid " " and resid 1259 and name HA )) 3.400 1.500 1.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.94129E-03 ppm1 7.767 ppm2 4.172 CV 1 ASSI { 713} (( segid " " and resid 1260 and name H )) (( segid " " and resid 1260 and name HB3 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 7.768 ppm2 3.974 CV 1 ASSI { 714} (( segid " " and resid 1260 and name H )) (( segid " " and resid 1260 and name HB2 )) 2.900 1.000 1.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.25095E-02 ppm1 7.768 ppm2 3.892 CV 1 ASSI { 716} (( segid " " and resid 1260 and name H )) ( segid " " and resid 1259 and name HB% ) 2.900 1.100 1.100 peak 716 spectrum 1 weight 0.10000E+01 volume 0.20520E-02 ppm1 7.768 ppm2 1.384 CV 1 ASSI { 719} (( segid " " and resid 1260 and name H )) ( segid " " and resid 1267 and name HD1%) 3.700 1.700 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.85825E-03 ppm1 7.768 ppm2 0.787 CV 1 ASSI { 720} (( segid " " and resid 1261 and name H )) (( segid " " and resid 1261 and name HB2 )) 3.000 1.100 1.100 peak 720 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 7.284 ppm2 2.128 CV 1 ASSI { 721} (( segid " " and resid 1261 and name H )) (( segid " " and resid 1261 and name HB3 )) 3.100 1.200 1.200 peak 721 spectrum 1 weight 0.10000E+01 volume 0.26896E-02 ppm1 7.283 ppm2 1.837 CV 1 ASSI { 722} (( segid " " and resid 1261 and name H )) (( segid " " and resid 1261 and name HG3 )) 2.600 0.900 0.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.18543E-02 ppm1 7.284 ppm2 1.723 CV 1 ASSI { 729} (( segid " " and resid 1261 and name H )) (( segid " " and resid 1260 and name HB3 )) 3.000 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 7.283 ppm2 3.979 CV 1 ASSI { 733} (( segid " " and resid 1261 and name H )) (( segid " " and resid 1259 and name H )) 4.300 2.300 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.35143E-03 ppm1 7.284 ppm2 8.424 CV 1 ASSI { 734} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1263 and name H )) 3.300 1.400 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.97834E-03 ppm1 7.830 ppm2 9.146 CV 1 ASSI { 735} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1261 and name H )) 2.400 0.700 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.46339E-02 ppm1 7.831 ppm2 7.288 CV 1 ASSI { 736} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1262 and name HA2 )) 2.900 1.100 1.100 peak 736 spectrum 1 weight 0.10000E+01 volume 0.33500E-02 ppm1 7.830 ppm2 4.569 CV 1 ASSI { 737} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1259 and name HA )) 3.200 1.200 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.13916E-02 ppm1 7.831 ppm2 4.172 CV 1 ASSI { 738} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1260 and name HA )) 3.500 1.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.73817E-03 ppm1 7.830 ppm2 4.085 CV 1 ASSI { 739} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1262 and name HA3 )) 2.500 0.800 0.800 peak 739 spectrum 1 weight 0.10000E+01 volume 0.37651E-02 ppm1 7.830 ppm2 3.980 CV 1 ASSI { 740} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1261 and name HB2 )) 3.800 1.800 1.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.58279E-03 ppm1 7.830 ppm2 2.130 CV 1 ASSI { 742} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1261 and name HG3 )) 4.600 2.600 1.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.37262E-03 ppm1 7.832 ppm2 1.721 CV 1 ASSI { 743} (( segid " " and resid 1262 and name H )) (( segid " " and resid 1261 and name HG2 )) 3.500 3.500 2.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.30022E-03 ppm1 7.829 ppm2 1.652 CV 1 ASSI { 744} (( segid " " and resid 1262 and name H )) ( segid " " and resid 1259 and name HB% ) 3.900 1.900 1.900 peak 744 spectrum 1 weight 0.10000E+01 volume 0.74701E-03 ppm1 7.831 ppm2 1.384 CV 1 ASSI { 746} (( segid " " and resid 1263 and name H )) (( segid " " and resid 1266 and name HB2 )) 2.900 1.000 1.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 9.143 ppm2 3.312 CV 1 ASSI { 750} (( segid " " and resid 1263 and name H )) (( segid " " and resid 1263 and name HB )) 4.100 2.100 1.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.46445E-03 ppm1 9.142 ppm2 4.775 CV 1 ASSI { 755} (( segid " " and resid 1265 and name H )) (( segid " " and resid 1263 and name HB )) 3.400 1.500 1.500 peak 755 spectrum 1 weight 0.10000E+01 volume 0.81941E-03 ppm1 8.105 ppm2 4.774 CV 1 ASSI { 756} (( segid " " and resid 1265 and name H )) (( segid " " and resid 1265 and name HA )) 3.200 1.300 1.300 peak 756 spectrum 1 weight 0.10000E+01 volume 0.11567E-02 ppm1 8.105 ppm2 4.125 CV 1 ASSI { 759} (( segid " " and resid 1265 and name H )) (( segid " " and resid 1265 and name HB3 )) 3.900 1.900 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12591E-02 ppm1 8.105 ppm2 2.161 CV 1 ASSI { 761} (( segid " " and resid 1265 and name H )) ( segid " " and resid 1263 and name HG2%) 4.500 2.500 1.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.36026E-03 ppm1 8.105 ppm2 1.386 CV 1 ASSI { 763} (( segid " " and resid 1281 and name H )) ( segid " " and resid 1249 and name HD2%) 4.500 2.500 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.50154E-03 ppm1 7.994 ppm2 0.197 CV 1 ASSI { 764} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1267 and name HB2 )) 4.500 2.600 1.500 peak 764 spectrum 1 weight 0.10000E+01 volume 0.45916E-03 ppm1 7.985 ppm2 1.628 CV 1 ASSI { 765} (( segid " " and resid 1281 and name H )) ( segid " " and resid 1245 and name HB% ) 3.500 1.500 1.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 7.994 ppm2 1.522 CV 1 ASSI { 768} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1282 and name HB2 )) 5.100 3.200 0.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.27196E-03 ppm1 7.996 ppm2 1.185 CV 1 ASSI { 769} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1265 and name HB3 )) 3.700 1.700 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.12486E-02 ppm1 7.985 ppm2 2.162 CV 1 ASSI { 772} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1266 and name HB3 )) 3.400 1.400 1.400 peak 772 spectrum 1 weight 0.10000E+01 volume 0.19744E-02 ppm1 7.985 ppm2 2.743 CV 1 ASSI { 773} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1266 and name HB2 )) 2.600 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.26401E-02 ppm1 7.985 ppm2 3.312 CV 1 ASSI { 774} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1281 and name HB2 )) 2.700 0.900 0.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.34242E-02 ppm1 7.994 ppm2 3.126 CV 1 ASSI { 775} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1280 and name HB )) 2.700 0.900 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.26172E-02 ppm1 7.994 ppm2 4.199 CV 1 ASSI { 777} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1281 and name HA )) 2.700 0.900 0.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.27638E-02 ppm1 7.994 ppm2 3.944 CV 1 ASSI { 780} (( segid " " and resid 1281 and name H )) ( segid " " and resid 1281 and name HD% ) 4.100 2.100 1.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.11302E-02 ppm1 7.994 ppm2 6.661 CV 1 ASSI { 781} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1280 and name H )) 2.600 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.29509E-02 ppm1 7.992 ppm2 7.822 CV 1 ASSI { 782} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1279 and name H )) 4.400 2.400 1.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.28609E-03 ppm1 7.995 ppm2 7.645 CV 1 ASSI { 783} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1265 and name H )) 3.000 1.100 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11549E-02 ppm1 7.985 ppm2 8.111 CV 1 ASSI { 784} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1282 and name H )) 2.800 1.000 1.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.19125E-02 ppm1 7.994 ppm2 8.643 CV 1 ASSI { 785} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1268 and name H )) 4.100 2.100 1.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.47858E-03 ppm1 7.984 ppm2 8.431 CV 1 ASSI { 786} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1263 and name H )) 3.500 1.600 1.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.87064E-03 ppm1 7.985 ppm2 9.147 CV 1 ASSI { 787} (( segid " " and resid 1267 and name H )) (( segid " " and resid 1263 and name H )) 3.900 1.900 1.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.34613E-03 ppm1 7.791 ppm2 9.147 CV 1 ASSI { 788} (( segid " " and resid 1267 and name H )) (( segid " " and resid 1266 and name H )) 2.700 0.900 0.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 7.790 ppm2 7.990 CV 1 ASSI { 789} (( segid " " and resid 1267 and name H )) (( segid " " and resid 1268 and name H )) 2.800 1.000 1.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 7.791 ppm2 8.434 CV 1 ASSI { 790} (( segid " " and resid 1267 and name H )) (( segid " " and resid 1266 and name HA )) 3.400 1.500 1.500 peak 790 spectrum 1 weight 0.10000E+01 volume 0.91303E-03 ppm1 7.791 ppm2 4.446 CV 1 ASSI { 793} (( segid " " and resid 1267 and name H )) (( segid " " and resid 1266 and name HB2 )) 3.000 1.200 1.200 peak 793 spectrum 1 weight 0.10000E+01 volume 0.18384E-02 ppm1 7.791 ppm2 3.311 CV 1 ASSI { 794} (( segid " " and resid 1267 and name H )) (( segid " " and resid 1266 and name HB3 )) 3.200 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.14163E-02 ppm1 7.791 ppm2 2.743 CV 1 ASSI { 797} (( segid " " and resid 1267 and name H )) (( segid " " and resid 1267 and name HB2 )) 2.400 0.700 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.36856E-02 ppm1 7.791 ppm2 1.627 CV 1 ASSI { 798} (( segid " " and resid 1267 and name H )) ( segid " " and resid 1259 and name HB% ) 3.000 1.200 1.200 peak 798 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 7.791 ppm2 1.391 CV 1 ASSI { 802} (( segid " " and resid 1268 and name H )) ( segid " " and resid 1205 and name HG2%) 4.000 2.000 2.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.51213E-03 ppm1 8.430 ppm2 1.226 CV 1 ASSI { 803} (( segid " " and resid 1268 and name H )) ( segid " " and resid 1209 and name HG1%) 4.100 2.100 1.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.39735E-03 ppm1 8.430 ppm2 0.994 CV 1 ASSI { 805} (( segid " " and resid 1268 and name H )) ( segid " " and resid 1267 and name HD1%) 3.400 1.500 1.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.36732E-03 ppm1 8.429 ppm2 0.783 CV 1 ASSI { 808} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1267 and name HB2 )) 3.400 1.400 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.14340E-02 ppm1 8.430 ppm2 1.627 CV 1 ASSI { 809} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1266 and name HA )) 4.200 2.200 1.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.31258E-03 ppm1 8.431 ppm2 4.446 CV 1 ASSI { 810} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1264 and name HA )) 3.900 1.900 1.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.55628E-03 ppm1 8.430 ppm2 4.316 CV 1 ASSI { 814} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1267 and name HA )) 3.400 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.93420E-03 ppm1 8.430 ppm2 3.838 CV 1 ASSI { 818} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1271 and name H )) 4.200 2.200 1.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.40264E-03 ppm1 8.161 ppm2 8.496 CV 1 ASSI { 821} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1270 and name HA )) 4.800 2.900 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.33554E-03 ppm1 8.161 ppm2 4.257 CV 1 ASSI { 822} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1265 and name HA )) 3.600 1.600 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.62518E-03 ppm1 8.162 ppm2 4.127 CV 1 ASSI { 825} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1267 and name HA )) 4.300 2.400 1.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.24017E-03 ppm1 8.161 ppm2 3.840 CV 1 ASSI { 828} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1269 and name HG2 )) 3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 8.162 ppm2 1.799 CV 1 ASSI { 830} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1269 and name HG3 )) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.78411E-03 ppm1 8.161 ppm2 1.618 CV 1 ASSI { 831} (( segid " " and resid 1269 and name H )) ( segid " " and resid 1270 and name HB% ) 4.300 2.300 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.69578E-03 ppm1 8.162 ppm2 1.488 CV 1 ASSI { 833} (( segid " " and resid 1270 and name H )) ( segid " " and resid 1259 and name HB% ) 3.700 1.700 1.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.90065E-03 ppm1 8.421 ppm2 1.385 CV 1 ASSI { 834} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1269 and name HB3 )) 2.600 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.40441E-02 ppm1 8.421 ppm2 1.977 CV 1 OR { 834} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1269 and name HB2 )) ASSI { 835} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1269 and name HG2 )) 3.900 1.900 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.52626E-03 ppm1 8.420 ppm2 1.798 CV 1 ASSI { 836} (( segid " " and resid 1270 and name H )) ( segid " " and resid 1268 and name HB% ) 3.400 1.400 1.400 peak 836 spectrum 1 weight 0.10000E+01 volume 0.37969E-03 ppm1 8.421 ppm2 1.720 CV 1 ASSI { 837} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1269 and name HG3 )) 4.100 2.100 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.61280E-03 ppm1 8.421 ppm2 1.620 CV 1 ASSI { 838} (( segid " " and resid 1270 and name H )) ( segid " " and resid 1256 and name HD2%) 4.800 2.900 1.200 peak 838 spectrum 1 weight 0.10000E+01 volume 0.29668E-03 ppm1 8.422 ppm2 0.700 CV 1 ASSI { 840} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1268 and name HA )) 4.100 2.100 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.30728E-03 ppm1 8.421 ppm2 3.926 CV 1 ASSI { 841} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1267 and name HA )) 3.300 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.85651E-03 ppm1 8.421 ppm2 3.840 CV 1 ASSI { 842} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1269 and name HA )) 3.200 1.200 1.200 peak 842 spectrum 1 weight 0.10000E+01 volume 0.15205E-02 ppm1 8.421 ppm2 4.065 CV 1 ASSI { 844} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1266 and name HA )) 3.700 1.700 1.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.54922E-03 ppm1 8.420 ppm2 4.447 CV 1 ASSI { 845} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1269 and name H )) 2.600 0.900 0.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.30993E-02 ppm1 8.420 ppm2 8.166 CV 1 ASSI { 847} (( segid " " and resid 1270 and name H )) (( segid " " and resid 1272 and name H )) 4.400 2.400 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.35849E-03 ppm1 8.419 ppm2 7.965 CV 1 ASSI { 848} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1270 and name H )) 2.800 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.21845E-02 ppm1 8.488 ppm2 8.424 CV 1 ASSI { 850} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1272 and name H )) 2.700 0.900 0.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 8.488 ppm2 7.961 CV 1 ASSI { 852} (( segid " " and resid 1272 and name H )) (( segid " " and resid 1273 and name HB2 )) 4.400 2.400 1.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.62518E-03 ppm1 7.958 ppm2 1.995 CV 1 OR { 852} (( segid " " and resid 1272 and name H )) (( segid " " and resid 1273 and name HB3 )) ASSI { 853} (( segid " " and resid 1272 and name H )) ( segid " " and resid 1212 and name HB% ) 3.800 1.800 1.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.64280E-03 ppm1 7.957 ppm2 1.566 CV 1 ASSI { 856} (( segid " " and resid 1272 and name H )) (( segid " " and resid 1271 and name HB2 )) 3.700 1.800 1.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.94304E-03 ppm1 7.957 ppm2 3.613 CV 1 ASSI { 858} (( segid " " and resid 1272 and name H )) (( segid " " and resid 1274 and name H )) 4.200 2.200 1.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.46622E-03 ppm1 7.957 ppm2 8.156 CV 1 ASSI { 862} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1274 and name H )) 2.700 0.900 0.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.23929E-02 ppm1 7.821 ppm2 8.153 CV 1 ASSI { 863} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1272 and name H )) 2.700 0.900 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 7.821 ppm2 7.962 CV 1 ASSI { 865} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1273 and name HA )) 2.700 0.900 0.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.33077E-02 ppm1 7.821 ppm2 4.154 CV 1 ASSI { 866} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1272 and name HA2 )) 3.200 1.200 1.200 peak 866 spectrum 1 weight 0.10000E+01 volume 0.23134E-02 ppm1 7.821 ppm2 4.078 CV 1 ASSI { 867} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1272 and name HA3 )) 3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.15682E-02 ppm1 7.821 ppm2 3.917 CV 1 ASSI { 869} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1273 and name HB2 )) 2.300 0.700 0.700 peak 869 spectrum 1 weight 0.10000E+01 volume 0.69950E-02 ppm1 7.821 ppm2 1.995 CV 1 OR { 869} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1273 and name HB3 )) ASSI { 870} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1273 and name HB3 )) 2.700 0.900 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.27655E-02 ppm1 8.150 ppm2 1.995 CV 1 OR { 870} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1273 and name HB2 )) ASSI { 872} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1273 and name HG3 )) 4.000 2.000 2.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.67107E-03 ppm1 8.150 ppm2 1.779 CV 1 OR { 872} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1273 and name HG2 )) ASSI { 873} (( segid " " and resid 1274 and name H )) ( segid " " and resid 1316 and name HD2%) 4.700 2.800 1.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.42384E-03 ppm1 8.150 ppm2 0.812 CV 1 ASSI { 875} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1274 and name HB2 )) 2.600 0.800 0.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.32194E-02 ppm1 8.150 ppm2 3.404 CV 1 ASSI { 876} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1274 and name HB3 )) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.34825E-02 ppm1 8.150 ppm2 3.016 CV 1 ASSI { 877} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1271 and name HA )) 2.900 1.100 1.100 peak 877 spectrum 1 weight 0.10000E+01 volume 0.18296E-02 ppm1 8.150 ppm2 4.118 CV 1 ASSI { 879} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1270 and name HA )) 3.800 1.800 1.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.48564E-03 ppm1 8.150 ppm2 4.257 CV 1 ASSI { 880} (( segid " " and resid 1274 and name H )) ( segid " " and resid 1274 and name HD% ) 4.000 2.100 2.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 8.150 ppm2 6.926 CV 1 ASSI { 882} (( segid " " and resid 1274 and name H )) (( segid " " and resid 1275 and name H )) 2.800 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.20415E-02 ppm1 8.150 ppm2 8.502 CV 1 ASSI { 884} (( segid " " and resid 1275 and name H )) (( segid " " and resid 1277 and name H )) 4.400 2.400 1.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 8.497 ppm2 8.715 CV 1 ASSI { 886} (( segid " " and resid 1275 and name H )) (( segid " " and resid 1273 and name H )) 4.100 2.100 1.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.35673E-03 ppm1 8.499 ppm2 7.824 CV 1 ASSI { 888} (( segid " " and resid 1275 and name H )) ( segid " " and resid 1274 and name HD% ) 3.500 1.500 1.500 peak 888 spectrum 1 weight 0.10000E+01 volume 0.97659E-03 ppm1 8.498 ppm2 6.924 CV 1 ASSI { 889} (( segid " " and resid 1275 and name H )) (( segid " " and resid 1212 and name HA )) 4.600 2.600 1.400 peak 889 spectrum 1 weight 0.10000E+01 volume 0.33377E-03 ppm1 8.498 ppm2 4.398 CV 1 ASSI { 890} (( segid " " and resid 1275 and name H )) (( segid " " and resid 1276 and name HA )) 5.000 3.100 1.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.28962E-03 ppm1 8.499 ppm2 4.236 CV 1 ASSI { 891} (( segid " " and resid 1275 and name H )) (( segid " " and resid 1275 and name HA3 )) 2.400 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.46587E-02 ppm1 8.499 ppm2 4.112 CV 1 ASSI { 892} (( segid " " and resid 1275 and name H )) (( segid " " and resid 1274 and name HA )) 3.200 1.300 1.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11832E-02 ppm1 8.498 ppm2 3.927 CV 1 ASSI { 894} (( segid " " and resid 1275 and name H )) (( segid " " and resid 1274 and name HB2 )) 3.700 1.700 1.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 8.499 ppm2 3.404 CV 1 ASSI { 896} (( segid " " and resid 1275 and name H )) ( segid " " and resid 1212 and name HB% ) 3.300 1.400 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 8.498 ppm2 1.565 CV 1 ASSI { 898} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1276 and name HB2 )) 2.600 0.800 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.37651E-02 ppm1 7.677 ppm2 2.235 CV 1 ASSI { 900} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1275 and name HA3 )) 2.700 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.23858E-02 ppm1 7.677 ppm2 4.125 CV 1 ASSI { 901} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1274 and name HA )) 3.700 1.700 1.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.58279E-03 ppm1 7.677 ppm2 3.925 CV 1 ASSI { 902} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1275 and name HA2 )) 3.600 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 7.677 ppm2 3.668 CV 1 ASSI { 903} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1277 and name HA )) 4.900 3.000 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.33554E-03 ppm1 7.676 ppm2 4.482 CV 1 ASSI { 904} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1277 and name H )) 2.600 0.800 0.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.34137E-02 ppm1 7.677 ppm2 8.715 CV 1 ASSI { 905} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1275 and name H )) 2.700 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.25271E-02 ppm1 7.677 ppm2 8.503 CV 1 ASSI { 906} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1274 and name H )) 4.200 2.200 1.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.37085E-03 ppm1 7.677 ppm2 8.152 CV 1 ASSI { 907} (( segid " " and resid 1276 and name H )) (( segid " " and resid 1278 and name H )) 3.800 1.800 1.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.50860E-03 ppm1 7.677 ppm2 9.031 CV 1 ASSI { 908} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1278 and name H )) 2.700 0.900 0.900 peak 908 spectrum 1 weight 0.10000E+01 volume 0.23258E-02 ppm1 8.712 ppm2 9.031 CV 1 ASSI { 912} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1276 and name HA )) 3.400 1.400 1.400 peak 912 spectrum 1 weight 0.10000E+01 volume 0.11461E-02 ppm1 8.711 ppm2 4.226 CV 1 ASSI { 913} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1273 and name HA )) 3.400 1.400 1.400 peak 913 spectrum 1 weight 0.10000E+01 volume 0.89006E-03 ppm1 8.711 ppm2 4.149 CV 1 ASSI { 914} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1274 and name HA )) 3.200 1.300 1.300 peak 914 spectrum 1 weight 0.10000E+01 volume 0.96950E-03 ppm1 8.710 ppm2 3.932 CV 1 ASSI { 915} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1278 and name HB3 )) 4.800 2.800 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.35496E-03 ppm1 8.711 ppm2 3.127 CV 1 ASSI { 916} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1278 and name HB2 )) 4.900 3.100 1.100 peak 916 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 8.709 ppm2 2.629 CV 1 ASSI { 917} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1276 and name HG2 )) 3.800 1.800 1.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.81586E-03 ppm1 8.711 ppm2 2.472 CV 1 OR { 917} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1276 and name HG3 )) ASSI { 918} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1277 and name HB2 )) 2.400 0.700 0.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.44185E-02 ppm1 8.711 ppm2 2.363 CV 1 ASSI { 919} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1276 and name HB3 )) 2.600 0.800 0.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.24211E-02 ppm1 8.711 ppm2 2.278 CV 1 ASSI { 920} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1276 and name HB2 )) 3.600 1.600 1.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.22605E-02 ppm1 8.711 ppm2 2.232 CV 1 ASSI { 921} (( segid " " and resid 1277 and name H )) ( segid " " and resid 1252 and name HB% ) 4.200 2.200 1.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.49271E-03 ppm1 8.711 ppm2 1.854 CV 1 ASSI { 922} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1273 and name HG3 )) 3.500 1.500 1.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.31788E-03 ppm1 8.711 ppm2 1.776 CV 1 OR { 922} (( segid " " and resid 1277 and name H )) (( segid " " and resid 1273 and name HG2 )) ASSI { 924} (( segid " " and resid 1278 and name H )) ( segid " " and resid 1216 and name HG2%) 4.400 2.400 1.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.45032E-03 ppm1 9.027 ppm2 0.793 CV 1 ASSI { 926} (( segid " " and resid 1278 and name H )) ( segid " " and resid 1249 and name HD2%) 4.600 2.600 1.400 peak 926 spectrum 1 weight 0.10000E+01 volume 0.42737E-03 ppm1 9.026 ppm2 0.196 CV 1 ASSI { 927} (( segid " " and resid 1278 and name H )) ( segid " " and resid 1252 and name HB% ) 3.500 1.600 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.29315E-03 ppm1 9.026 ppm2 1.859 CV 1 ASSI { 928} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1277 and name HB2 )) 3.200 1.300 1.300 peak 928 spectrum 1 weight 0.10000E+01 volume 0.14958E-02 ppm1 9.026 ppm2 2.363 CV 1 OR { 928} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1277 and name HB3 )) ASSI { 929} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1278 and name HB2 )) 2.700 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.29969E-02 ppm1 9.026 ppm2 2.632 CV 1 ASSI { 931} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1275 and name HA2 )) 3.500 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.64280E-03 ppm1 9.026 ppm2 3.668 CV 1 ASSI { 932} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1278 and name HB3 )) 2.500 0.800 0.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.33413E-02 ppm1 9.026 ppm2 3.127 CV 1 ASSI { 933} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1276 and name HA )) 3.800 1.800 1.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.44150E-03 ppm1 9.027 ppm2 4.226 CV 1 ASSI { 936} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1280 and name H )) 4.200 2.200 1.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.31964E-03 ppm1 9.027 ppm2 7.831 CV 1 ASSI { 937} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1279 and name H )) 2.800 1.000 1.000 peak 937 spectrum 1 weight 0.10000E+01 volume 0.21898E-02 ppm1 9.026 ppm2 7.649 CV 1 ASSI { 938} (( segid " " and resid 1278 and name H )) ( segid " " and resid 1278 and name HD% ) 4.000 2.000 2.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.14181E-02 ppm1 9.026 ppm2 7.136 CV 1 ASSI { 941} (( segid " " and resid 1279 and name H )) (( segid " " and resid 1277 and name H )) 4.500 2.500 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.30198E-03 ppm1 7.643 ppm2 8.716 CV 1 ASSI { 944} (( segid " " and resid 1279 and name H )) ( segid " " and resid 1278 and name HD% ) 3.100 1.200 1.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.15099E-02 ppm1 7.643 ppm2 7.136 CV 1 ASSI { 945} (( segid " " and resid 1279 and name H )) (( segid " " and resid 1277 and name HA )) 4.100 2.100 1.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.35143E-03 ppm1 7.643 ppm2 4.482 CV 1 ASSI { 946} (( segid " " and resid 1279 and name H )) (( segid " " and resid 1279 and name HB2 )) 2.700 0.900 0.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.31417E-02 ppm1 7.643 ppm2 4.170 CV 1 ASSI { 948} (( segid " " and resid 1279 and name H )) (( segid " " and resid 1279 and name HA )) 2.600 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.34719E-02 ppm1 7.643 ppm2 3.877 CV 1 ASSI { 949} (( segid " " and resid 1279 and name H )) (( segid " " and resid 1275 and name HA2 )) 4.300 2.300 1.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.31258E-03 ppm1 7.646 ppm2 3.670 CV 1 ASSI { 950} (( segid " " and resid 1279 and name H )) (( segid " " and resid 1278 and name HB3 )) 2.700 0.900 0.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.21068E-02 ppm1 7.643 ppm2 3.127 CV 1 ASSI { 953} (( segid " " and resid 1279 and name H )) ( segid " " and resid 1216 and name HG2%) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.32141E-03 ppm1 7.643 ppm2 0.791 CV 1 ASSI { 955} (( segid " " and resid 1283 and name H )) ( segid " " and resid 1223 and name HD1%) 3.500 1.500 1.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.10366E-02 ppm1 7.844 ppm2 0.923 CV 1 OR { 955} (( segid " " and resid 1283 and name H )) ( segid " " and resid 1223 and name HD2%) ASSI { 956} (( segid " " and resid 1283 and name H )) ( segid " " and resid 1282 and name HD1%) 3.800 1.900 1.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.72404E-03 ppm1 7.844 ppm2 0.872 CV 1 ASSI { 957} (( segid " " and resid 1283 and name H )) (( segid " " and resid 1282 and name HB3 )) 2.700 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 7.844 ppm2 1.467 CV 1 ASSI { 961} (( segid " " and resid 1283 and name H )) (( segid " " and resid 1283 and name HB2 )) 2.400 0.700 0.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.37015E-02 ppm1 7.844 ppm2 2.106 CV 1 ASSI { 962} (( segid " " and resid 1283 and name H )) (( segid " " and resid 1283 and name HB3 )) 3.500 1.600 1.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.25960E-02 ppm1 7.844 ppm2 2.005 CV 1 ASSI { 965} (( segid " " and resid 1280 and name H )) (( segid " " and resid 1278 and name HB3 )) 4.100 2.100 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.62867E-03 ppm1 7.826 ppm2 3.125 CV 1 ASSI { 969} (( segid " " and resid 1280 and name H )) (( segid " " and resid 1280 and name HB )) 2.400 0.700 0.700 peak 969 spectrum 1 weight 0.10000E+01 volume 0.56476E-02 ppm1 7.825 ppm2 4.191 CV 1 ASSI { 970} (( segid " " and resid 1280 and name H )) (( segid " " and resid 1279 and name HB3 )) 3.200 1.300 1.300 peak 970 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 7.826 ppm2 4.106 CV 1 ASSI { 971} (( segid " " and resid 1280 and name H )) (( segid " " and resid 1277 and name HA )) 3.100 1.200 1.200 peak 971 spectrum 1 weight 0.10000E+01 volume 0.16441E-02 ppm1 7.825 ppm2 4.481 CV 1 ASSI { 972} (( segid " " and resid 1280 and name H )) (( segid " " and resid 1279 and name H )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.27443E-02 ppm1 7.825 ppm2 7.646 CV 1 ASSI { 973} (( segid " " and resid 1283 and name H )) (( segid " " and resid 1284 and name H )) 2.600 0.900 0.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 7.844 ppm2 7.427 CV 1 ASSI { 975} (( segid " " and resid 1283 and name H )) (( segid " " and resid 1282 and name H )) 2.700 0.900 0.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.24547E-02 ppm1 7.844 ppm2 8.643 CV 1 ASSI { 976} (( segid " " and resid 1283 and name H )) (( segid " " and resid 1285 and name H )) 3.900 1.900 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.46269E-03 ppm1 7.845 ppm2 8.877 CV 1 ASSI { 979} (( segid " " and resid 1282 and name H )) (( segid " " and resid 1281 and name HB2 )) 3.700 1.700 1.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.19567E-02 ppm1 8.640 ppm2 3.127 CV 1 ASSI { 982} (( segid " " and resid 1282 and name H )) ( segid " " and resid 1284 and name HB% ) 4.300 2.300 1.700 peak 982 spectrum 1 weight 0.10000E+01 volume 0.36203E-03 ppm1 8.639 ppm2 1.250 CV 1 ASSI { 985} (( segid " " and resid 1282 and name H )) ( segid " " and resid 1249 and name HD2%) 3.400 1.400 1.400 peak 985 spectrum 1 weight 0.10000E+01 volume 0.39735E-03 ppm1 8.640 ppm2 0.195 CV 1 ASSI { 988} (( segid " " and resid 1282 and name H )) ( segid " " and resid 1281 and name HD% ) 3.100 1.200 1.200 peak 988 spectrum 1 weight 0.10000E+01 volume 0.15700E-02 ppm1 8.640 ppm2 6.661 CV 1 ASSI { 989} (( segid " " and resid 1282 and name H )) ( segid " " and resid 1278 and name HD% ) 4.200 2.200 1.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.27903E-03 ppm1 8.640 ppm2 7.137 CV 1 ASSI { 990} (( segid " " and resid 1282 and name H )) ( segid " " and resid 1281 and name HE% ) 4.900 3.000 1.100 peak 990 spectrum 1 weight 0.10000E+01 volume 0.23311E-03 ppm1 8.640 ppm2 6.986 CV 1 ASSI { 991} (( segid " " and resid 1282 and name H )) (( segid " " and resid 1284 and name H )) 4.000 2.000 2.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.42737E-03 ppm1 8.639 ppm2 7.427 CV 1 ASSI { 995} (( segid " " and resid 1284 and name H )) (( segid " " and resid 1285 and name H )) 2.600 0.800 0.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.32141E-02 ppm1 7.423 ppm2 8.876 CV 1 ASSI { 997} (( segid " " and resid 1284 and name H )) (( segid " " and resid 1286 and name H )) 4.100 2.100 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.38675E-03 ppm1 7.420 ppm2 8.575 CV 1 ASSI { 999} (( segid " " and resid 1284 and name H )) (( segid " " and resid 1281 and name HA )) 3.000 1.100 1.100 peak 999 spectrum 1 weight 0.10000E+01 volume 0.13280E-02 ppm1 7.423 ppm2 3.939 CV 1 ASSI { 1005} (( segid " " and resid 1284 and name H )) (( segid " " and resid 1283 and name HB2 )) 2.700 0.900 0.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 7.423 ppm2 2.107 CV 1 ASSI { 1006} (( segid " " and resid 1284 and name H )) (( segid " " and resid 1283 and name HB3 )) 3.400 1.400 1.400 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 7.423 ppm2 2.007 CV 1 ASSI { 1011} (( segid " " and resid 1285 and name H )) ( segid " " and resid 1286 and name HG2%) 4.400 2.400 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 8.873 ppm2 1.030 CV 1 ASSI { 1013} (( segid " " and resid 1285 and name H )) ( segid " " and resid 1305 and name HD2%) 4.300 2.300 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.65693E-03 ppm1 8.873 ppm2 0.734 CV 1 ASSI { 1014} (( segid " " and resid 1285 and name H )) ( segid " " and resid 1305 and name HD1%) 4.500 2.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.48388E-03 ppm1 8.874 ppm2 0.656 CV 1 ASSI { 1017} (( segid " " and resid 1285 and name H )) (( segid " " and resid 1285 and name HA3 )) 2.400 0.700 0.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.36220E-02 ppm1 8.874 ppm2 3.155 CV 1 ASSI { 1019} (( segid " " and resid 1285 and name H )) (( segid " " and resid 1281 and name HA )) 3.700 1.700 1.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.44503E-03 ppm1 8.874 ppm2 3.942 CV 1 ASSI { 1020} (( segid " " and resid 1285 and name H )) (( segid " " and resid 1283 and name HA )) 4.200 2.200 1.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.25960E-03 ppm1 8.872 ppm2 3.810 CV 1 ASSI { 1024} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1285 and name H )) 2.700 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.22163E-02 ppm1 8.573 ppm2 8.877 CV 1 ASSI { 1025} (( segid " " and resid 1289 and name H )) (( segid " " and resid 1288 and name H )) 2.700 0.900 0.900 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.22322E-02 ppm1 8.545 ppm2 7.749 CV 1 ASSI { 1026} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1288 and name H )) 4.200 2.200 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.40088E-03 ppm1 8.573 ppm2 7.748 CV 1 ASSI { 1027} (( segid " " and resid 1289 and name H )) (( segid " " and resid 1290 and name H )) 2.700 0.900 0.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.22587E-02 ppm1 8.546 ppm2 7.954 CV 1 ASSI { 1028} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1287 and name H )) 2.600 0.800 0.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.26984E-02 ppm1 8.573 ppm2 7.492 CV 1 ASSI { 1030} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1287 and name HA )) 4.800 2.900 1.200 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.37262E-03 ppm1 8.573 ppm2 4.151 CV 1 ASSI { 1031} (( segid " " and resid 1289 and name H )) (( segid " " and resid 1288 and name HA )) 3.300 1.400 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 8.546 ppm2 4.132 CV 1 ASSI { 1032} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1284 and name HA )) 4.000 2.000 2.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.38145E-03 ppm1 8.575 ppm2 4.030 CV 1 ASSI { 1033} (( segid " " and resid 1289 and name H )) (( segid " " and resid 1290 and name HA3 )) 4.900 3.000 1.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.40441E-03 ppm1 8.545 ppm2 4.011 CV 1 ASSI { 1035} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1283 and name HA )) 3.100 1.200 1.200 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.11125E-02 ppm1 8.573 ppm2 3.812 CV 1 ASSI { 1036} (( segid " " and resid 1289 and name H )) (( segid " " and resid 1286 and name HA )) 3.000 1.100 1.100 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.19885E-02 ppm1 8.546 ppm2 3.592 CV 1 ASSI { 1039} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1285 and name HA3 )) 2.800 1.000 1.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.15311E-02 ppm1 8.573 ppm2 3.155 CV 1 ASSI { 1040} (( segid " " and resid 1286 and name H )) (( segid " " and resid 1287 and name HB3 )) 4.600 2.700 1.400 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.43620E-03 ppm1 8.573 ppm2 2.031 CV 1 ASSI { 1043} (( segid " " and resid 1286 and name H )) ( segid " " and resid 1289 and name HB% ) 4.100 2.100 1.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.70991E-03 ppm1 8.573 ppm2 1.473 CV 1 ASSI { 1046} (( segid " " and resid 1286 and name H )) ( segid " " and resid 1305 and name HD2%) 4.500 2.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.41147E-03 ppm1 8.573 ppm2 0.733 CV 1 ASSI { 1049} (( segid " " and resid 1287 and name H )) ( segid " " and resid 1289 and name HB% ) 4.500 2.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.30375E-03 ppm1 7.488 ppm2 1.476 CV 1 ASSI { 1050} (( segid " " and resid 1287 and name H )) ( segid " " and resid 1238 and name HB% ) 4.900 3.000 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.27372E-03 ppm1 7.489 ppm2 1.393 CV 1 ASSI { 1051} (( segid " " and resid 1287 and name H )) ( segid " " and resid 1284 and name HB% ) 4.300 2.300 1.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.43090E-03 ppm1 7.488 ppm2 1.246 CV 1 ASSI { 1054} (( segid " " and resid 1287 and name H )) (( segid " " and resid 1287 and name HB2 )) 2.400 0.700 0.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.44874E-02 ppm1 7.489 ppm2 2.148 CV 1 ASSI { 1056} (( segid " " and resid 1287 and name H )) (( segid " " and resid 1288 and name HB3 )) 4.800 2.800 1.200 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.33024E-03 ppm1 7.488 ppm2 1.804 CV 1 ASSI { 1058} (( segid " " and resid 1287 and name H )) (( segid " " and resid 1285 and name HA2 )) 4.300 2.300 1.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.25430E-03 ppm1 7.486 ppm2 3.370 CV 1 ASSI { 1059} (( segid " " and resid 1287 and name H )) (( segid " " and resid 1285 and name HA3 )) 4.500 2.500 1.500 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.30375E-03 ppm1 7.487 ppm2 3.156 CV 1 ASSI { 1061} (( segid " " and resid 1287 and name H )) (( segid " " and resid 1284 and name HA )) 3.200 1.300 1.300 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 7.489 ppm2 4.030 CV 1 ASSI { 1062} (( segid " " and resid 1287 and name H )) (( segid " " and resid 1283 and name HA )) 3.800 1.800 1.800 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.45916E-03 ppm1 7.489 ppm2 3.811 CV 1 ASSI { 1064} (( segid " " and resid 1287 and name H )) (( segid " " and resid 1285 and name H )) 4.100 2.100 1.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.41854E-03 ppm1 7.488 ppm2 8.876 CV 1 ASSI { 1067} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1290 and name H )) 4.200 2.200 1.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.32494E-03 ppm1 7.745 ppm2 7.957 CV 1 ASSI { 1068} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1287 and name H )) 2.700 0.900 0.900 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.24653E-02 ppm1 7.746 ppm2 7.492 CV 1 ASSI { 1069} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1288 and name HA )) 2.600 0.900 0.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.31328E-02 ppm1 7.746 ppm2 4.133 CV 1 ASSI { 1070} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1284 and name HA )) 3.900 1.900 1.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.63222E-03 ppm1 7.746 ppm2 4.029 CV 1 ASSI { 1071} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1289 and name HA )) 4.800 2.900 1.200 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.31788E-03 ppm1 7.746 ppm2 3.925 CV 1 ASSI { 1073} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1285 and name HA2 )) 3.400 1.400 1.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.75056E-03 ppm1 7.746 ppm2 3.372 CV 1 ASSI { 1078} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1288 and name HB3 )) 2.600 0.900 0.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.34419E-02 ppm1 7.746 ppm2 1.805 CV 1 OR { 1078} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1288 and name HB2 )) ASSI { 1079} (( segid " " and resid 1288 and name H )) ( segid " " and resid 1242 and name HD2%) 3.800 1.800 1.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.66932E-03 ppm1 7.746 ppm2 0.842 CV 1 ASSI { 1080} (( segid " " and resid 1288 and name H )) ( segid " " and resid 1289 and name HB% ) 4.500 2.500 1.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.53509E-03 ppm1 7.745 ppm2 1.477 CV 1 ASSI { 1081} (( segid " " and resid 1288 and name H )) ( segid " " and resid 1238 and name HB% ) 3.500 1.500 1.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.85651E-03 ppm1 7.746 ppm2 1.391 CV 1 ASSI { 1082} (( segid " " and resid 1288 and name H )) ( segid " " and resid 1284 and name HB% ) 3.300 3.300 2.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.42737E-03 ppm1 7.744 ppm2 1.244 CV 1 ASSI { 1083} (( segid " " and resid 1288 and name H )) ( segid " " and resid 1242 and name HD1%) 4.300 2.300 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.31964E-03 ppm1 7.745 ppm2 0.571 CV 1 ASSI { 1084} (( segid " " and resid 1289 and name H )) ( segid " " and resid 1301 and name HG2%) 3.200 1.200 1.200 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.18401E-02 ppm1 8.546 ppm2 0.864 CV 1 ASSI { 1085} (( segid " " and resid 1289 and name H )) ( segid " " and resid 1305 and name HD1%) 3.800 1.800 1.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.51213E-03 ppm1 8.546 ppm2 0.655 CV 1 ASSI { 1086} (( segid " " and resid 1286 and name H )) ( segid " " and resid 1282 and name HD1%) 3.600 1.700 1.700 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.86180E-03 ppm1 8.574 ppm2 0.866 CV 1 ASSI { 1087} (( segid " " and resid 1289 and name H )) (( segid " " and resid 1288 and name HB3 )) 3.500 1.500 1.500 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.12574E-02 ppm1 8.546 ppm2 1.807 CV 1 ASSI { 1090} (( segid " " and resid 1290 and name H )) (( segid " " and resid 1291 and name H )) 2.700 0.900 0.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 7.950 ppm2 7.582 CV 1 ASSI { 1092} (( segid " " and resid 1290 and name H )) (( segid " " and resid 1287 and name HA )) 3.200 1.300 1.300 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 7.950 ppm2 4.148 CV 1 ASSI { 1093} (( segid " " and resid 1290 and name H )) (( segid " " and resid 1290 and name HA3 )) 2.400 0.700 0.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.47505E-02 ppm1 7.950 ppm2 4.008 CV 1 ASSI { 1094} (( segid " " and resid 1290 and name H )) (( segid " " and resid 1290 and name HA2 )) 2.900 1.000 1.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.41765E-02 ppm1 7.950 ppm2 3.908 CV 1 ASSI { 1096} (( segid " " and resid 1290 and name H )) (( segid " " and resid 1291 and name HA )) 5.100 3.300 0.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.27372E-03 ppm1 7.949 ppm2 4.443 CV 1 ASSI { 1097} (( segid " " and resid 1290 and name H )) (( segid " " and resid 1291 and name HB2 )) 4.700 2.800 1.300 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.40264E-03 ppm1 7.950 ppm2 2.037 CV 1 ASSI { 1099} (( segid " " and resid 1291 and name H )) ( segid " " and resid 1292 and name HB% ) 4.200 2.200 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.88122E-03 ppm1 7.578 ppm2 1.511 CV 1 ASSI { 1100} (( segid " " and resid 1291 and name H )) ( segid " " and resid 1238 and name HB% ) 4.400 2.400 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.37792E-03 ppm1 7.577 ppm2 1.392 CV 1 ASSI { 1102} (( segid " " and resid 1291 and name H )) (( segid " " and resid 1291 and name HB2 )) 2.700 0.900 0.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.24900E-02 ppm1 7.578 ppm2 2.043 CV 1 ASSI { 1103} (( segid " " and resid 1291 and name H )) ( segid " " and resid 1288 and name HE% ) 4.500 2.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.27019E-03 ppm1 7.578 ppm2 1.821 CV 1 ASSI { 1104} (( segid " " and resid 1291 and name H )) (( segid " " and resid 1291 and name HG3 )) 2.900 1.000 1.000 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.32141E-02 ppm1 7.578 ppm2 2.603 CV 1 OR { 1104} (( segid " " and resid 1291 and name H )) (( segid " " and resid 1291 and name HB3 )) ASSI { 1106} (( segid " " and resid 1291 and name H )) (( segid " " and resid 1288 and name HA )) 3.100 1.200 1.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 7.578 ppm2 4.130 CV 1 ASSI { 1107} (( segid " " and resid 1291 and name H )) (( segid " " and resid 1290 and name HA3 )) 3.100 1.200 1.200 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 7.578 ppm2 4.006 CV 1 ASSI { 1108} (( segid " " and resid 1291 and name H )) (( segid " " and resid 1290 and name HA2 )) 3.400 1.400 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.14640E-02 ppm1 7.578 ppm2 3.911 CV 1 ASSI { 1112} (( segid " " and resid 1291 and name H )) (( segid " " and resid 1289 and name H )) 4.200 2.300 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.44326E-03 ppm1 7.579 ppm2 8.551 CV 1 ASSI { 1117} (( segid " " and resid 1291 and name HE22)) ( segid " " and resid 1238 and name HB% ) 4.000 2.000 2.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.55275E-03 ppm1 7.158 ppm2 1.391 CV 1 ASSI { 1119} (( segid " " and resid 1291 and name HE22)) (( segid " " and resid 1291 and name HB2 )) 4.700 2.800 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.37085E-03 ppm1 7.158 ppm2 2.036 CV 1 ASSI { 1121} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1290 and name H )) 4.100 2.100 1.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.61983E-03 ppm1 7.387 ppm2 7.955 CV 1 ASSI { 1122} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1291 and name H )) 2.400 0.700 0.700 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.47682E-02 ppm1 7.387 ppm2 7.583 CV 1 ASSI { 1123} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1292 and name HA )) 2.600 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.37686E-02 ppm1 7.387 ppm2 4.420 CV 1 ASSI { 1124} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1288 and name HA )) 3.500 1.500 1.500 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.33377E-03 ppm1 7.387 ppm2 4.131 CV 1 ASSI { 1126} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1290 and name HA2 )) 3.100 1.200 1.200 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 7.387 ppm2 3.918 CV 1 ASSI { 1127} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1298 and name HA )) 4.300 2.300 1.700 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.37262E-03 ppm1 7.387 ppm2 3.797 CV 1 ASSI { 1128} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1293 and name HD2 )) 5.000 3.100 1.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.43443E-03 ppm1 7.388 ppm2 3.671 CV 1 ASSI { 1129} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1293 and name HD3 )) 4.600 2.700 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.59163E-03 ppm1 7.387 ppm2 3.598 CV 1 ASSI { 1130} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1291 and name HB2 )) 3.400 1.400 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 7.387 ppm2 2.047 CV 1 ASSI { 1131} (( segid " " and resid 1292 and name H )) (( segid " " and resid 1291 and name HB3 )) 3.700 1.700 1.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.10543E-02 ppm1 7.387 ppm2 2.600 CV 1 ASSI { 1133} (( segid " " and resid 1294 and name H )) ( segid " " and resid 1292 and name HB% ) 2.800 1.000 1.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.30304E-02 ppm1 7.356 ppm2 1.518 CV 1 ASSI { 1134} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1293 and name HB3 )) 4.200 2.200 1.800 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.70636E-03 ppm1 7.356 ppm2 2.273 CV 1 ASSI { 1135} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1293 and name HG2 )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.15858E-02 ppm1 7.355 ppm2 2.064 CV 1 ASSI { 1137} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1297 and name HB3 )) 3.600 1.700 1.700 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.19602E-02 ppm1 7.356 ppm2 2.777 CV 1 ASSI { 1138} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1297 and name HB2 )) 2.600 0.800 0.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.31046E-02 ppm1 7.356 ppm2 2.607 CV 1 ASSI { 1141} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1293 and name HA )) 3.100 1.200 1.200 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.18772E-02 ppm1 7.356 ppm2 4.446 CV 1 ASSI { 1143} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1294 and name HB3 )) 3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.13104E-02 ppm1 7.356 ppm2 4.001 CV 1 ASSI { 1145} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1298 and name H )) 3.600 1.700 1.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 7.356 ppm2 8.135 CV 1 ASSI { 1146} (( segid " " and resid 1294 and name H )) (( segid " " and resid 1297 and name H )) 3.600 1.600 1.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.80883E-03 ppm1 7.355 ppm2 7.835 CV 1 ASSI { 1147} (( segid " " and resid 1296 and name H )) (( segid " " and resid 1298 and name H )) 4.400 2.400 1.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.28079E-03 ppm1 8.955 ppm2 8.137 CV 1 ASSI { 1148} (( segid " " and resid 1296 and name H )) (( segid " " and resid 1297 and name H )) 3.000 1.100 1.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.13421E-02 ppm1 8.956 ppm2 7.835 CV 1 ASSI { 1151} (( segid " " and resid 1296 and name H )) (( segid " " and resid 1295 and name HA )) 3.700 1.700 1.700 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.56688E-03 ppm1 8.956 ppm2 4.025 CV 1 ASSI { 1154} (( segid " " and resid 1296 and name H )) (( segid " " and resid 1296 and name HB3 )) 3.000 1.100 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 8.955 ppm2 2.084 CV 1 ASSI { 1156} (( segid " " and resid 1297 and name H )) ( segid " " and resid 1292 and name HB% ) 4.300 2.300 1.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.69403E-03 ppm1 7.829 ppm2 1.522 CV 1 ASSI { 1157} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1296 and name HB3 )) 2.900 1.000 1.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 7.830 ppm2 2.079 CV 1 ASSI { 1158} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1296 and name HB2 )) 3.300 1.300 1.300 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.14993E-02 ppm1 7.829 ppm2 1.976 CV 1 ASSI { 1159} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1297 and name HB2 )) 2.600 0.800 0.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.26490E-02 ppm1 7.830 ppm2 2.607 CV 1 ASSI { 1160} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1296 and name HG3 )) 4.200 2.200 1.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.41500E-03 ppm1 7.830 ppm2 2.469 CV 1 ASSI { 1161} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1296 and name HG2 )) 4.000 2.000 2.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.50860E-03 ppm1 7.830 ppm2 2.287 CV 1 ASSI { 1162} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1297 and name HB3 )) 3.700 1.700 1.700 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.19125E-02 ppm1 7.830 ppm2 2.777 CV 1 ASSI { 1163} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1297 and name HA )) 2.700 0.900 0.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.27602E-02 ppm1 7.829 ppm2 4.477 CV 1 ASSI { 1166} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1294 and name HB3 )) 3.600 1.600 1.600 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.53686E-03 ppm1 7.829 ppm2 4.011 CV 1 ASSI { 1168} (( segid " " and resid 1297 and name H )) (( segid " " and resid 1298 and name H )) 2.700 0.900 0.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.28061E-02 ppm1 7.829 ppm2 8.135 CV 1 ASSI { 1170} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1305 and name H )) 2.600 0.800 0.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.27655E-02 ppm1 8.125 ppm2 8.881 CV 1 ASSI { 1171} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1306 and name H )) 4.000 2.000 2.000 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.39735E-03 ppm1 8.125 ppm2 8.820 CV 1 ASSI { 1172} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1303 and name H )) 2.700 0.900 0.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.27072E-02 ppm1 8.125 ppm2 8.507 CV 1 ASSI { 1175} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1304 and name HD21)) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.69758E-03 ppm1 8.125 ppm2 7.209 CV 1 ASSI { 1178} (( segid " " and resid 1337 and name H )) (( segid " " and resid 1333 and name HA )) 3.600 1.600 1.600 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.61280E-03 ppm1 8.154 ppm2 4.308 CV 1 ASSI { 1179} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1303 and name HB3 )) 3.300 1.400 1.400 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 8.125 ppm2 4.204 CV 1 ASSI { 1180} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1303 and name HA )) 2.700 0.900 0.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.38516E-02 ppm1 8.126 ppm2 4.068 CV 1 ASSI { 1182} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1301 and name HA )) 3.200 1.200 1.200 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 8.126 ppm2 3.598 CV 1 ASSI { 1183} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1302 and name HA )) 3.900 1.900 1.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.39028E-03 ppm1 8.126 ppm2 3.458 CV 1 ASSI { 1186} (( segid " " and resid 1298 and name H )) (( segid " " and resid 1297 and name HB2 )) 2.800 1.000 1.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.16194E-02 ppm1 8.132 ppm2 2.606 CV 1 ASSI { 1187} (( segid " " and resid 1298 and name H )) (( segid " " and resid 1298 and name HB2 )) 2.500 0.800 0.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.36679E-02 ppm1 8.131 ppm2 2.061 CV 1 ASSI { 1188} (( segid " " and resid 1298 and name H )) (( segid " " and resid 1298 and name HB3 )) 2.700 0.900 0.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.29509E-02 ppm1 8.132 ppm2 1.969 CV 1 ASSI { 1189} (( segid " " and resid 1298 and name H )) (( segid " " and resid 1298 and name HG2 )) 3.800 1.800 1.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.16900E-02 ppm1 8.131 ppm2 1.738 CV 1 ASSI { 1190} (( segid " " and resid 1298 and name H )) ( segid " " and resid 1292 and name HB% ) 2.900 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.22163E-02 ppm1 8.132 ppm2 1.520 CV 1 ASSI { 1191} (( segid " " and resid 1304 and name H )) ( segid " " and resid 1349 and name HD2%) 4.100 2.100 1.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.10702E-02 ppm1 8.126 ppm2 1.076 CV 1 ASSI { 1192} (( segid " " and resid 1304 and name H )) ( segid " " and resid 1301 and name HG2%) 4.100 2.100 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.48741E-03 ppm1 8.126 ppm2 0.864 CV 1 ASSI { 1194} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1298 and name HG2 )) 3.500 1.500 1.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.88826E-03 ppm1 8.188 ppm2 1.740 CV 1 ASSI { 1195} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1298 and name HB2 )) 3.800 1.800 1.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.15964E-02 ppm1 8.189 ppm2 2.060 CV 1 ASSI { 1196} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1298 and name HB3 )) 2.600 0.800 0.800 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 8.188 ppm2 1.969 CV 1 ASSI { 1197} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1300 and name HB2 )) 4.500 2.600 1.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.55098E-03 ppm1 8.188 ppm2 2.286 CV 1 ASSI { 1198} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1299 and name HA )) 2.500 0.800 0.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.49006E-02 ppm1 8.188 ppm2 4.122 CV 1 ASSI { 1199} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1295 and name HA )) 4.000 2.000 2.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.55098E-03 ppm1 8.188 ppm2 4.041 CV 1 ASSI { 1200} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1298 and name HA )) 3.400 1.500 1.500 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.95537E-03 ppm1 8.189 ppm2 3.797 CV 1 ASSI { 1201} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1300 and name HA )) 5.100 3.200 0.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.27196E-03 ppm1 8.188 ppm2 4.210 CV 1 ASSI { 1202} (( segid " " and resid 1299 and name H )) (( segid " " and resid 1300 and name H )) 2.600 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.30975E-02 ppm1 8.189 ppm2 7.858 CV 1 ASSI { 1203} (( segid " " and resid 1300 and name H )) (( segid " " and resid 1301 and name H )) 2.600 0.800 0.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.33147E-02 ppm1 7.857 ppm2 8.243 CV 1 ASSI { 1205} (( segid " " and resid 1300 and name H )) (( segid " " and resid 1303 and name H )) 4.300 2.300 1.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.27903E-03 ppm1 7.855 ppm2 8.506 CV 1 ASSI { 1207} (( segid " " and resid 1300 and name H )) (( segid " " and resid 1297 and name HA )) 3.200 1.300 1.300 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 7.857 ppm2 4.477 CV 1 ASSI { 1209} (( segid " " and resid 1300 and name H )) (( segid " " and resid 1299 and name HA )) 3.200 1.300 1.300 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.13951E-02 ppm1 7.857 ppm2 4.120 CV 1 ASSI { 1210} (( segid " " and resid 1300 and name H )) (( segid " " and resid 1298 and name HA )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.28256E-03 ppm1 7.857 ppm2 3.798 CV 1 ASSI { 1211} (( segid " " and resid 1300 and name H )) (( segid " " and resid 1301 and name HA )) 4.800 2.800 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 7.857 ppm2 3.600 CV 1 ASSI { 1212} (( segid " " and resid 1300 and name H )) (( segid " " and resid 1300 and name HB3 )) 2.400 0.700 0.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.54798E-02 ppm1 7.857 ppm2 2.306 CV 1 ASSI { 1215} (( segid " " and resid 1301 and name H )) ( segid " " and resid 1299 and name HB% ) 4.300 2.400 1.700 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.55275E-03 ppm1 8.240 ppm2 1.558 CV 1 ASSI { 1216} (( segid " " and resid 1209 and name H )) (( segid " " and resid 1208 and name HB2 )) 3.100 1.200 1.200 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.82999E-03 ppm1 8.229 ppm2 2.639 CV 1 ASSI { 1217} (( segid " " and resid 1209 and name H )) (( segid " " and resid 1208 and name HB3 )) 3.700 1.700 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 8.227 ppm2 2.801 CV 1 ASSI { 1219} (( segid " " and resid 1301 and name H )) (( segid " " and resid 1300 and name HA )) 3.400 1.400 1.400 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 8.240 ppm2 4.207 CV 1 ASSI { 1220} (( segid " " and resid 1210 and name H )) (( segid " " and resid 1207 and name HA )) 3.200 1.300 1.300 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.10472E-02 ppm1 8.255 ppm2 4.199 CV 1 ASSI { 1221} (( segid " " and resid 1334 and name H )) (( segid " " and resid 1333 and name H )) 3.100 1.200 1.200 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.99247E-03 ppm1 8.246 ppm2 8.101 CV 1 ASSI { 1222} (( segid " " and resid 1303 and name H )) ( segid " " and resid 1299 and name HB% ) 3.300 1.400 1.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.43090E-03 ppm1 8.504 ppm2 1.560 CV 1 ASSI { 1223} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1302 and name HB )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.29527E-02 ppm1 8.503 ppm2 2.201 CV 1 ASSI { 1226} (( segid " " and resid 1303 and name H )) ( segid " " and resid 1301 and name HG2%) 4.500 2.600 1.500 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.31434E-03 ppm1 8.503 ppm2 0.861 CV 1 ASSI { 1227} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1301 and name HA )) 4.000 2.000 2.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.38498E-03 ppm1 8.503 ppm2 3.599 CV 1 ASSI { 1228} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1302 and name HA )) 3.400 1.400 1.400 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 8.504 ppm2 3.458 CV 1 ASSI { 1229} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1303 and name HB3 )) 2.500 0.800 0.800 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.55682E-02 ppm1 8.503 ppm2 4.204 CV 1 OR { 1229} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1303 and name HB2 )) ASSI { 1232} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1301 and name H )) 4.200 2.200 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.37439E-03 ppm1 8.504 ppm2 8.246 CV 1 ASSI { 1235} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1305 and name H )) 4.200 2.200 1.800 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.42737E-03 ppm1 8.503 ppm2 8.881 CV 1 ASSI { 1237} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1300 and name HG2 )) 4.600 2.700 1.400 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.52626E-03 ppm1 7.206 ppm2 2.528 CV 1 OR { 1237} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1300 and name HG3 )) ASSI { 1238} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1301 and name HB )) 4.500 2.600 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 7.205 ppm2 2.285 CV 1 ASSI { 1239} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1305 and name HG )) 4.200 2.200 1.800 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.40970E-03 ppm1 7.206 ppm2 2.096 CV 1 ASSI { 1240} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1304 and name HB2 )) 2.800 1.000 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.82115E-03 ppm1 7.206 ppm2 3.084 CV 1 ASSI { 1242} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1301 and name HA )) 3.300 1.400 1.400 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.35849E-03 ppm1 7.207 ppm2 3.599 CV 1 ASSI { 1243} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1301 and name HA )) 4.000 4.000 2.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.37262E-03 ppm1 7.099 ppm2 3.599 CV 1 ASSI { 1244} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1349 and name HA )) 4.000 2.000 2.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.41147E-03 ppm1 7.206 ppm2 4.228 CV 1 ASSI { 1245} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1304 and name HB2 )) 4.200 2.200 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.75585E-03 ppm1 7.100 ppm2 3.084 CV 1 ASSI { 1248} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1301 and name HB )) 4.700 2.800 1.300 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.39911E-03 ppm1 7.101 ppm2 2.278 CV 1 ASSI { 1249} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1304 and name HA )) 5.000 3.100 1.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.27372E-03 ppm1 7.207 ppm2 4.698 CV 1 ASSI { 1250} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1304 and name HA )) 4.800 2.900 1.200 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.30375E-03 ppm1 7.100 ppm2 4.699 CV 1 ASSI { 1251} (( segid " " and resid 1304 and name HD21)) (( segid " " and resid 1304 and name HD22)) 1.700 0.400 0.500 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.15011E-01 ppm1 7.205 ppm2 7.104 CV 1 ASSI { 1254} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1304 and name H )) 3.900 1.900 1.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.55275E-03 ppm1 7.100 ppm2 8.130 CV 1 ASSI { 1256} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1307 and name H )) 2.700 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 8.818 ppm2 8.148 CV 1 ASSI { 1258} (( segid " " and resid 1305 and name H )) (( segid " " and resid 1303 and name HA )) 4.000 2.000 2.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.40970E-03 ppm1 8.877 ppm2 4.060 CV 1 ASSI { 1260} (( segid " " and resid 1305 and name H )) (( segid " " and resid 1304 and name HA )) 4.000 2.000 2.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.39028E-03 ppm1 8.876 ppm2 4.704 CV 1 ASSI { 1263} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1302 and name HA )) 3.800 1.800 1.800 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.55982E-03 ppm1 8.817 ppm2 3.459 CV 1 ASSI { 1266} (( segid " " and resid 1305 and name H )) (( segid " " and resid 1305 and name HB3 )) 3.400 1.400 1.400 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.22763E-02 ppm1 8.877 ppm2 2.291 CV 1 ASSI { 1267} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1305 and name HB3 )) 3.600 1.600 1.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.14181E-02 ppm1 8.817 ppm2 2.291 CV 1 ASSI { 1268} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1306 and name HB3 )) 2.600 0.800 0.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.28962E-02 ppm1 8.817 ppm2 2.133 CV 1 ASSI { 1269} (( segid " " and resid 1305 and name H )) (( segid " " and resid 1305 and name HG )) 2.300 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.39575E-02 ppm1 8.877 ppm2 2.093 CV 1 ASSI { 1271} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1306 and name HG2 )) 3.900 1.900 1.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.12450E-02 ppm1 8.817 ppm2 1.488 CV 1 ASSI { 1272} (( segid " " and resid 1305 and name H )) (( segid " " and resid 1305 and name HB2 )) 2.800 1.000 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.14693E-02 ppm1 8.877 ppm2 1.373 CV 1 ASSI { 1273} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1305 and name HB2 )) 3.100 1.200 1.200 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.91652E-03 ppm1 8.817 ppm2 1.374 CV 1 ASSI { 1276} (( segid " " and resid 1305 and name H )) ( segid " " and resid 1305 and name HD2%) 3.700 1.700 1.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 8.877 ppm2 0.733 CV 1 ASSI { 1278} (( segid " " and resid 1306 and name H )) ( segid " " and resid 1305 and name HD1%) 3.300 1.300 1.300 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 8.817 ppm2 0.655 CV 1 ASSI { 1280} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1306 and name HB3 )) 2.700 2.700 3.300 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.16777E-02 ppm1 8.146 ppm2 2.133 CV 1 ASSI { 1281} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1306 and name HB2 )) 3.800 1.800 1.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.15240E-02 ppm1 8.146 ppm2 2.058 CV 1 ASSI { 1282} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1306 and name HD2 )) 4.300 2.300 1.700 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.48388E-03 ppm1 8.146 ppm2 1.761 CV 1 ASSI { 1284} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1307 and name HA2 )) 2.800 0.900 0.900 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.47187E-02 ppm1 8.146 ppm2 4.052 CV 1 ASSI { 1286} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1304 and name HA )) 3.400 1.500 1.500 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.68874E-03 ppm1 8.146 ppm2 4.702 CV 1 ASSI { 1288} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1308 and name H )) 2.800 0.900 0.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.19585E-02 ppm1 8.146 ppm2 8.582 CV 1 ASSI { 1289} (( segid " " and resid 1308 and name H )) (( segid " " and resid 1309 and name H )) 2.700 0.900 0.900 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.21757E-02 ppm1 8.578 ppm2 8.851 CV 1 ASSI { 1290} (( segid " " and resid 1308 and name H )) (( segid " " and resid 1310 and name H )) 4.300 2.300 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.28609E-03 ppm1 8.577 ppm2 8.272 CV 1 ASSI { 1293} (( segid " " and resid 1308 and name H )) (( segid " " and resid 1305 and name HA )) 3.500 1.500 1.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.11956E-02 ppm1 8.578 ppm2 4.187 CV 1 ASSI { 1295} (( segid " " and resid 1308 and name H )) (( segid " " and resid 1308 and name HB )) 2.300 0.700 0.700 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.53933E-02 ppm1 8.578 ppm2 2.081 CV 1 ASSI { 1298} (( segid " " and resid 1308 and name H )) ( segid " " and resid 1305 and name HD2%) 5.200 3.400 0.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.28079E-03 ppm1 8.578 ppm2 0.734 CV 1 ASSI { 1301} (( segid " " and resid 1309 and name H )) ( segid " " and resid 1282 and name HD1%) 4.100 2.100 1.900 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.46092E-03 ppm1 8.848 ppm2 0.866 CV 1 OR { 1301} (( segid " " and resid 1309 and name H )) ( segid " " and resid 1282 and name HD2%) ASSI { 1302} (( segid " " and resid 1309 and name H )) (( segid " " and resid 1308 and name HB )) 3.300 1.300 1.300 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22834E-02 ppm1 8.848 ppm2 2.087 CV 1 ASSI { 1303} (( segid " " and resid 1309 and name H )) (( segid " " and resid 1309 and name HB2 )) 3.000 1.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.20997E-02 ppm1 8.847 ppm2 4.457 CV 1 ASSI { 1304} (( segid " " and resid 1309 and name H )) (( segid " " and resid 1309 and name HA )) 2.300 0.700 0.700 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.48017E-02 ppm1 8.848 ppm2 4.316 CV 1 ASSI { 1305} (( segid " " and resid 1309 and name H )) (( segid " " and resid 1305 and name HA )) 3.900 1.900 1.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.70287E-03 ppm1 8.847 ppm2 4.187 CV 1 ASSI { 1306} (( segid " " and resid 1309 and name H )) (( segid " " and resid 1306 and name HA )) 2.900 1.100 1.100 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.16547E-02 ppm1 8.848 ppm2 4.041 CV 1 ASSI { 1307} (( segid " " and resid 1309 and name H )) (( segid " " and resid 1278 and name HZ )) 4.600 2.700 1.400 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.47151E-03 ppm1 8.847 ppm2 7.426 CV 1 ASSI { 1308} (( segid " " and resid 1309 and name H )) ( segid " " and resid 1278 and name HE% ) 4.500 2.500 1.500 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.54039E-03 ppm1 8.848 ppm2 7.360 CV 1 ASSI { 1310} (( segid " " and resid 1309 and name H )) (( segid " " and resid 1307 and name H )) 4.100 2.100 1.900 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.43620E-03 ppm1 8.846 ppm2 8.149 CV 1 ASSI { 1313} (( segid " " and resid 1311 and name H )) (( segid " " and resid 1311 and name HA )) 2.700 0.900 0.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.28944E-02 ppm1 8.770 ppm2 4.190 CV 1 ASSI { 1314} (( segid " " and resid 1311 and name H )) (( segid " " and resid 1311 and name HB2 )) 2.400 0.700 0.700 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.46003E-02 ppm1 8.770 ppm2 4.002 CV 1 ASSI { 1317} (( segid " " and resid 1311 and name H )) (( segid " " and resid 1310 and name HB3 )) 3.000 1.100 1.100 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.16035E-02 ppm1 8.770 ppm2 2.378 CV 1 ASSI { 1318} (( segid " " and resid 1311 and name H )) (( segid " " and resid 1310 and name HB2 )) 2.900 1.000 1.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.17324E-02 ppm1 8.770 ppm2 2.292 CV 1 ASSI { 1319} (( segid " " and resid 1311 and name H )) ( segid " " and resid 1342 and name HG2%) 4.200 2.300 1.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.52979E-03 ppm1 8.770 ppm2 1.089 CV 1 ASSI { 1320} (( segid " " and resid 1311 and name H )) ( segid " " and resid 1308 and name HD1%) 4.300 2.300 1.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.30551E-03 ppm1 8.770 ppm2 0.959 CV 1 ASSI { 1322} (( segid " " and resid 1311 and name H )) (( segid " " and resid 1313 and name H )) 4.400 2.400 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.33730E-03 ppm1 8.770 ppm2 8.083 CV 1 ASSI { 1323} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1310 and name H )) 4.200 2.200 1.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.25960E-03 ppm1 8.754 ppm2 8.272 CV 1 ASSI { 1326} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1274 and name HZ )) 4.600 2.700 1.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.39911E-03 ppm1 8.753 ppm2 7.489 CV 1 ASSI { 1327} (( segid " " and resid 1312 and name H )) ( segid " " and resid 1278 and name HE% ) 4.300 2.300 1.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 8.753 ppm2 7.359 CV 1 ASSI { 1329} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1312 and name HA )) 2.700 0.900 0.900 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.25890E-02 ppm1 8.753 ppm2 4.211 CV 1 ASSI { 1330} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1312 and name HB3 )) 2.800 1.000 1.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.24671E-02 ppm1 8.753 ppm2 4.077 CV 1 ASSI { 1331} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1311 and name HB2 )) 2.700 0.900 0.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.24371E-02 ppm1 8.753 ppm2 3.999 CV 1 ASSI { 1332} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1312 and name HB2 )) 2.900 1.000 1.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.16653E-02 ppm1 8.753 ppm2 3.586 CV 1 ASSI { 1336} (( segid " " and resid 1313 and name H )) ( segid " " and resid 1216 and name HG1%) 3.400 1.500 1.500 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.91478E-03 ppm1 8.079 ppm2 0.269 CV 1 ASSI { 1337} (( segid " " and resid 1313 and name H )) ( segid " " and resid 1316 and name HD1%) 4.400 2.400 1.600 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.50507E-03 ppm1 8.079 ppm2 0.947 CV 1 ASSI { 1338} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1312 and name HB2 )) 3.100 1.200 1.200 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.11125E-02 ppm1 8.079 ppm2 3.586 CV 1 ASSI { 1340} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1312 and name HB3 )) 3.000 1.200 1.200 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.15788E-02 ppm1 8.079 ppm2 4.077 CV 1 ASSI { 1341} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1313 and name HB3 )) 2.900 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.65042E-02 ppm1 8.079 ppm2 3.994 CV 1 ASSI { 1342} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1309 and name HB2 )) 3.200 3.200 2.800 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.49801E-03 ppm1 8.079 ppm2 4.456 CV 1 ASSI { 1344} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1312 and name HA )) 3.100 1.200 1.200 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.11302E-02 ppm1 8.079 ppm2 4.209 CV 1 ASSI { 1345} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1315 and name H )) 4.300 2.300 1.700 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.26666E-03 ppm1 8.077 ppm2 7.919 CV 1 ASSI { 1346} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1314 and name H )) 2.600 0.800 0.800 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.28185E-02 ppm1 8.079 ppm2 7.817 CV 1 ASSI { 1347} (( segid " " and resid 1313 and name H )) (( segid " " and resid 1312 and name H )) 2.600 0.800 0.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.28450E-02 ppm1 8.079 ppm2 8.759 CV 1 ASSI { 1348} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1312 and name H )) 3.900 1.900 1.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.51743E-03 ppm1 7.813 ppm2 8.763 CV 1 ASSI { 1349} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1317 and name H )) 4.400 2.400 1.600 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.26843E-03 ppm1 7.812 ppm2 8.618 CV 1 ASSI { 1351} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1315 and name H )) 2.800 1.000 1.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.19020E-02 ppm1 7.814 ppm2 7.922 CV 1 ASSI { 1352} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1310 and name HA )) 3.800 1.900 1.900 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.45916E-03 ppm1 7.814 ppm2 4.329 CV 1 ASSI { 1353} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1311 and name HA )) 3.100 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 7.813 ppm2 4.192 CV 1 ASSI { 1354} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1313 and name HB3 )) 2.600 0.900 0.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.38693E-02 ppm1 7.813 ppm2 3.993 CV 1 ASSI { 1357} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1314 and name HG2 )) 3.200 1.300 1.300 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.26348E-02 ppm1 7.813 ppm2 1.667 CV 1 ASSI { 1359} (( segid " " and resid 1314 and name H )) ( segid " " and resid 1317 and name HD1%) 4.400 2.400 1.600 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.54392E-03 ppm1 7.812 ppm2 0.838 CV 1 ASSI { 1362} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1315 and name HB2 )) 2.900 1.000 1.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.29439E-02 ppm1 7.919 ppm2 1.205 CV 1 ASSI { 1363} (( segid " " and resid 1315 and name H )) ( segid " " and resid 1338 and name HB% ) 3.400 1.500 1.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 7.919 ppm2 1.474 CV 1 ASSI { 1364} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1316 and name HG )) 4.300 2.300 1.700 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.43266E-03 ppm1 7.918 ppm2 1.598 CV 1 ASSI { 1365} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1314 and name HG2 )) 4.700 2.800 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.40441E-03 ppm1 7.917 ppm2 1.669 CV 1 ASSI { 1366} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1315 and name HB3 )) 2.300 0.700 0.700 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.36220E-02 ppm1 7.919 ppm2 2.021 CV 1 ASSI { 1368} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1314 and name HB2 )) 2.900 1.100 1.100 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.11815E-02 ppm1 7.919 ppm2 1.881 CV 1 ASSI { 1369} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1312 and name HA )) 3.000 1.100 1.100 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.16706E-02 ppm1 7.918 ppm2 4.212 CV 1 ASSI { 1370} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1315 and name HA )) 2.600 0.800 0.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.35178E-02 ppm1 7.919 ppm2 3.986 CV 1 ASSI { 1372} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1316 and name H )) 2.700 0.900 0.900 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.21439E-02 ppm1 7.919 ppm2 7.521 CV 1 ASSI { 1374} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1317 and name H )) 4.100 2.100 1.900 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.41854E-03 ppm1 7.921 ppm2 8.617 CV 1 ASSI { 1375} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1317 and name H )) 2.700 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.21015E-02 ppm1 7.517 ppm2 8.619 CV 1 ASSI { 1376} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1318 and name H )) 3.800 1.800 1.800 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.47682E-03 ppm1 7.517 ppm2 8.072 CV 1 ASSI { 1378} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1314 and name H )) 4.300 2.300 1.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.26843E-03 ppm1 7.517 ppm2 7.815 CV 1 ASSI { 1379} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1312 and name HA )) 3.700 1.800 1.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.50860E-03 ppm1 7.517 ppm2 4.216 CV 1 ASSI { 1380} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1316 and name HA )) 2.500 0.800 0.800 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.38039E-02 ppm1 7.517 ppm2 3.991 CV 1 ASSI { 1382} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1314 and name HB2 )) 4.300 2.300 1.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.40441E-03 ppm1 7.518 ppm2 1.879 CV 1 ASSI { 1383} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1316 and name HG )) 2.500 0.800 0.800 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.27602E-02 ppm1 7.517 ppm2 1.598 CV 1 ASSI { 1384} (( segid " " and resid 1316 and name H )) ( segid " " and resid 1338 and name HB% ) 4.600 2.700 1.400 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.48917E-03 ppm1 7.517 ppm2 1.481 CV 1 ASSI { 1385} (( segid " " and resid 1316 and name H )) ( segid " " and resid 1319 and name HB% ) 4.200 2.200 1.800 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.44856E-03 ppm1 7.519 ppm2 1.425 CV 1 ASSI { 1386} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1316 and name HB3 )) 3.600 1.600 1.600 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.16618E-02 ppm1 7.517 ppm2 1.285 CV 1 ASSI { 1387} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1315 and name HB2 )) 3.800 1.800 1.800 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 7.517 ppm2 1.203 CV 1 ASSI { 1388} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1315 and name HG )) 3.300 1.400 1.400 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.78586E-03 ppm1 7.516 ppm2 1.051 CV 1 ASSI { 1391} (( segid " " and resid 1316 and name H )) ( segid " " and resid 1315 and name HD1%) 4.200 2.200 1.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.55805E-03 ppm1 7.517 ppm2 0.398 CV 1 ASSI { 1392} (( segid " " and resid 1317 and name H )) (( segid " " and resid 1316 and name HB2 )) 2.800 1.000 1.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.11037E-02 ppm1 8.616 ppm2 2.011 CV 1 ASSI { 1393} (( segid " " and resid 1317 and name H )) (( segid " " and resid 1317 and name HB2 )) 2.500 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.30463E-02 ppm1 8.616 ppm2 1.879 CV 1 ASSI { 1396} (( segid " " and resid 1317 and name H )) (( segid " " and resid 1316 and name HA )) 3.000 1.100 1.100 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.19779E-02 ppm1 8.616 ppm2 3.976 CV 1 ASSI { 1398} (( segid " " and resid 1317 and name H )) (( segid " " and resid 1319 and name H )) 4.200 2.200 1.800 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.36556E-03 ppm1 8.615 ppm2 8.243 CV 1 ASSI { 1401} (( segid " " and resid 1318 and name H )) (( segid " " and resid 1317 and name H )) 2.600 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.27302E-02 ppm1 8.067 ppm2 8.618 CV 1 ASSI { 1402} (( segid " " and resid 1318 and name H )) (( segid " " and resid 1319 and name H )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.27867E-02 ppm1 8.067 ppm2 8.242 CV 1 ASSI { 1406} (( segid " " and resid 1319 and name H )) (( segid " " and resid 1318 and name HA )) 3.500 1.500 1.500 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.85471E-03 ppm1 8.237 ppm2 4.208 CV 1 ASSI { 1407} (( segid " " and resid 1319 and name H )) (( segid " " and resid 1319 and name HA )) 2.600 0.800 0.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.39046E-02 ppm1 8.238 ppm2 3.983 CV 1 ASSI { 1409} (( segid " " and resid 1318 and name H )) (( segid " " and resid 1315 and name HA )) 2.800 1.000 1.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.20962E-02 ppm1 8.067 ppm2 3.985 CV 1 ASSI { 1410} (( segid " " and resid 1318 and name H )) (( segid " " and resid 1316 and name HB2 )) 4.400 2.400 1.600 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.32141E-03 ppm1 8.069 ppm2 2.019 CV 1 ASSI { 1411} (( segid " " and resid 1318 and name H )) (( segid " " and resid 1317 and name HB2 )) 2.800 1.000 1.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.18278E-02 ppm1 8.067 ppm2 1.879 CV 1 ASSI { 1412} (( segid " " and resid 1318 and name H )) (( segid " " and resid 1317 and name HG )) 4.500 2.500 1.500 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.50330E-03 ppm1 8.067 ppm2 1.751 CV 1 ASSI { 1419} (( segid " " and resid 1320 and name H )) (( segid " " and resid 1319 and name H )) 2.700 0.900 0.900 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.22039E-02 ppm1 8.562 ppm2 8.241 CV 1 ASSI { 1422} (( segid " " and resid 1320 and name H )) (( segid " " and resid 1317 and name HA )) 3.000 1.100 1.100 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.15894E-02 ppm1 8.563 ppm2 4.025 CV 1 ASSI { 1424} (( segid " " and resid 1320 and name H )) (( segid " " and resid 1318 and name HA )) 4.200 2.200 1.800 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.28962E-03 ppm1 8.563 ppm2 4.207 CV 1 ASSI { 1428} (( segid " " and resid 1320 and name H )) ( segid " " and resid 1321 and name HB% ) 4.100 2.100 1.900 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.97659E-03 ppm1 8.562 ppm2 1.528 CV 1 ASSI { 1431} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1320 and name HG2 )) 3.000 1.100 1.100 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.16229E-02 ppm1 8.149 ppm2 1.377 CV 1 ASSI { 1432} (( segid " " and resid 1338 and name H )) ( segid " " and resid 1341 and name HB% ) 4.200 2.200 1.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.71171E-03 ppm1 8.152 ppm2 1.603 CV 1 ASSI { 1433} (( segid " " and resid 1321 and name H )) ( segid " " and resid 1321 and name HB% ) 2.200 0.600 0.600 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.10453E-01 ppm1 8.148 ppm2 1.524 CV 1 ASSI { 1434} (( segid " " and resid 1338 and name H )) ( segid " " and resid 1337 and name HB% ) 2.200 0.600 0.600 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.11662E-01 ppm1 8.154 ppm2 1.493 CV 1 ASSI { 1435} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1320 and name HB2 )) 3.500 1.600 1.600 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.14287E-02 ppm1 8.147 ppm2 1.799 CV 1 ASSI { 1436} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1320 and name HB3 )) 2.600 2.600 3.400 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.25413E-02 ppm1 8.147 ppm2 2.118 CV 1 ASSI { 1438} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1321 and name HA )) 2.500 0.800 0.800 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.48688E-02 ppm1 8.148 ppm2 4.145 CV 1 ASSI { 1439} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1317 and name HA )) 3.200 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 8.148 ppm2 4.020 CV 1 ASSI { 1441} (( segid " " and resid 1338 and name H )) (( segid " " and resid 1335 and name HA )) 3.100 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.11920E-02 ppm1 8.153 ppm2 3.917 CV 1 ASSI { 1443} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1320 and name H )) 2.700 0.900 0.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.25890E-02 ppm1 8.146 ppm2 8.566 CV 1 ASSI { 1444} (( segid " " and resid 1338 and name H )) (( segid " " and resid 1339 and name H )) 2.600 0.800 0.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.32265E-02 ppm1 8.154 ppm2 8.460 CV 1 ASSI { 1445} (( segid " " and resid 1322 and name H )) (( segid " " and resid 1321 and name H )) 2.900 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.17042E-02 ppm1 8.060 ppm2 8.151 CV 1 ASSI { 1446} (( segid " " and resid 1322 and name H )) (( segid " " and resid 1323 and name H )) 3.000 1.100 1.100 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.13792E-02 ppm1 8.061 ppm2 7.975 CV 1 ASSI { 1447} (( segid " " and resid 1322 and name H )) (( segid " " and resid 1318 and name HA )) 3.700 1.700 1.700 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.45739E-03 ppm1 8.059 ppm2 4.208 CV 1 ASSI { 1448} (( segid " " and resid 1322 and name H )) (( segid " " and resid 1321 and name HA )) 3.500 1.600 1.600 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.74527E-03 ppm1 8.061 ppm2 4.147 CV 1 ASSI { 1451} (( segid " " and resid 1322 and name H )) (( segid " " and resid 1322 and name HG )) 3.800 1.800 1.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 8.059 ppm2 1.634 CV 1 ASSI { 1454} (( segid " " and resid 1322 and name H )) (( segid " " and resid 1322 and name HB2 )) 2.600 0.800 0.800 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.35655E-02 ppm1 8.060 ppm2 1.372 CV 1 ASSI { 1457} (( segid " " and resid 1323 and name H )) ( segid " " and resid 1267 and name HD2%) 3.000 3.000 3.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.81941E-03 ppm1 7.972 ppm2 0.841 CV 1 ASSI { 1458} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1322 and name HB2 )) 3.900 1.900 1.900 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 7.972 ppm2 1.372 CV 1 ASSI { 1459} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1322 and name HB3 )) 2.900 1.100 1.100 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.14869E-02 ppm1 7.972 ppm2 1.903 CV 1 ASSI { 1460} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1322 and name HG )) 3.800 1.800 1.800 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.53332E-03 ppm1 7.972 ppm2 1.631 CV 1 ASSI { 1461} (( segid " " and resid 1323 and name H )) ( segid " " and resid 1321 and name HB% ) 4.500 2.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.43266E-03 ppm1 7.971 ppm2 1.528 CV 1 ASSI { 1462} (( segid " " and resid 1323 and name H )) ( segid " " and resid 1324 and name HG2%) 4.800 2.900 1.200 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.33024E-03 ppm1 7.973 ppm2 1.279 CV 1 ASSI { 1464} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1323 and name HB2 )) 2.600 0.800 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.44608E-02 ppm1 7.972 ppm2 3.966 CV 1 OR { 1464} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1323 and name HB3 )) ASSI { 1466} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1325 and name H )) 4.200 2.200 1.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.37615E-03 ppm1 7.971 ppm2 7.424 CV 1 ASSI { 1467} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1324 and name H )) 2.900 1.000 1.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 7.972 ppm2 7.313 CV 1 ASSI { 1469} (( segid " " and resid 1323 and name H )) (( segid " " and resid 1321 and name H )) 4.500 2.500 1.500 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.29845E-03 ppm1 7.972 ppm2 8.151 CV 1 ASSI { 1470} (( segid " " and resid 1324 and name H )) (( segid " " and resid 1322 and name H )) 4.600 2.700 1.400 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.26137E-03 ppm1 7.314 ppm2 8.066 CV 1 ASSI { 1472} (( segid " " and resid 1324 and name H )) (( segid " " and resid 1325 and name H )) 2.600 0.800 0.800 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.34578E-02 ppm1 7.312 ppm2 7.426 CV 1 ASSI { 1474} (( segid " " and resid 1324 and name H )) (( segid " " and resid 1321 and name HA )) 3.600 1.600 1.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.59163E-03 ppm1 7.312 ppm2 4.148 CV 1 ASSI { 1478} (( segid " " and resid 1325 and name H )) ( segid " " and resid 1331 and name HD2%) 3.500 1.500 1.500 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.10437E-02 ppm1 7.420 ppm2 1.045 CV 1 ASSI { 1481} (( segid " " and resid 1325 and name H )) (( segid " " and resid 1325 and name HB3 )) 3.800 1.800 1.800 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 7.420 ppm2 2.862 CV 1 ASSI { 1484} (( segid " " and resid 1325 and name H )) (( segid " " and resid 1322 and name HA )) 2.900 1.100 1.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.16035E-02 ppm1 7.420 ppm2 4.065 CV 1 ASSI { 1485} (( segid " " and resid 1325 and name H )) (( segid " " and resid 1326 and name HA )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.51567E-03 ppm1 7.421 ppm2 4.507 CV 1 ASSI { 1486} (( segid " " and resid 1325 and name H )) (( segid " " and resid 1324 and name HA )) 3.200 1.300 1.300 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.14781E-02 ppm1 7.420 ppm2 4.344 CV 1 ASSI { 1490} (( segid " " and resid 1327 and name H )) (( segid " " and resid 1328 and name H )) 2.600 0.800 0.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.34966E-02 ppm1 7.992 ppm2 7.448 CV 1 ASSI { 1496} (( segid " " and resid 1327 and name H )) (( segid " " and resid 1326 and name HB2 )) 4.000 2.000 2.000 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.43796E-03 ppm1 7.993 ppm2 2.270 CV 1 ASSI { 1497} (( segid " " and resid 1327 and name H )) (( segid " " and resid 1326 and name HG2 )) 3.000 1.100 1.100 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.19373E-02 ppm1 7.991 ppm2 1.993 CV 1 ASSI { 1501} (( segid " " and resid 1328 and name H )) (( segid " " and resid 1331 and name HB2 )) 3.300 3.300 2.700 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.93065E-03 ppm1 7.445 ppm2 1.952 CV 1 ASSI { 1502} (( segid " " and resid 1328 and name H )) (( segid " " and resid 1328 and name HB2 )) 2.500 0.800 0.800 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.33889E-02 ppm1 7.445 ppm2 4.166 CV 1 ASSI { 1503} (( segid " " and resid 1328 and name H )) (( segid " " and resid 1328 and name HB3 )) 2.900 1.100 1.100 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.37827E-02 ppm1 7.445 ppm2 3.992 CV 1 ASSI { 1506} (( segid " " and resid 1328 and name H )) (( segid " " and resid 1328 and name HA )) 3.000 1.100 1.100 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.15276E-02 ppm1 7.445 ppm2 4.662 CV 1 ASSI { 1510} (( segid " " and resid 1331 and name H )) (( segid " " and resid 1328 and name HB3 )) 3.100 1.200 1.200 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.86180E-03 ppm1 7.951 ppm2 3.992 CV 1 ASSI { 1514} (( segid " " and resid 1331 and name H )) (( segid " " and resid 1331 and name HB2 )) 2.700 0.900 0.900 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 7.951 ppm2 1.948 CV 1 ASSI { 1515} (( segid " " and resid 1331 and name H )) (( segid " " and resid 1331 and name HB3 )) 3.800 1.800 1.800 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.12521E-02 ppm1 7.951 ppm2 1.376 CV 1 ASSI { 1519} (( segid " " and resid 1332 and name H )) (( segid " " and resid 1332 and name HG2 )) 3.700 1.700 1.700 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 8.096 ppm2 1.341 CV 1 OR { 1519} (( segid " " and resid 1332 and name H )) (( segid " " and resid 1332 and name HG3 )) ASSI { 1521} (( segid " " and resid 1332 and name H )) (( segid " " and resid 1332 and name HA )) 2.900 1.000 1.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.16547E-02 ppm1 8.096 ppm2 3.923 CV 1 ASSI { 1523} (( segid " " and resid 1333 and name H )) (( segid " " and resid 1330 and name HA )) 3.900 1.900 1.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.37969E-03 ppm1 8.100 ppm2 4.549 CV 1 ASSI { 1524} (( segid " " and resid 1333 and name H )) (( segid " " and resid 1333 and name HA )) 3.100 1.200 1.200 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 8.099 ppm2 4.310 CV 1 ASSI { 1525} (( segid " " and resid 1333 and name H )) (( segid " " and resid 1333 and name HB2 )) 2.900 1.100 1.100 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.19620E-02 ppm1 8.099 ppm2 4.068 CV 1 OR { 1525} (( segid " " and resid 1333 and name H )) (( segid " " and resid 1333 and name HB3 )) ASSI { 1526} (( segid " " and resid 1333 and name H )) (( segid " " and resid 1332 and name HB2 )) 3.100 1.200 1.200 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.89181E-03 ppm1 8.100 ppm2 1.954 CV 1 ASSI { 1527} (( segid " " and resid 1334 and name H )) ( segid " " and resid 1331 and name HD1%) 4.300 2.300 1.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.61105E-03 ppm1 8.248 ppm2 0.822 CV 1 ASSI { 1529} (( segid " " and resid 1301 and name H )) ( segid " " and resid 1289 and name HB% ) 5.100 3.300 0.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.46798E-03 ppm1 8.240 ppm2 1.480 CV 1 ASSI { 1531} (( segid " " and resid 1356 and name H )) (( segid " " and resid 1356 and name HB2 )) 3.000 1.100 1.100 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.18490E-02 ppm1 8.246 ppm2 2.003 CV 1 ASSI { 1534} (( segid " " and resid 1334 and name H )) (( segid " " and resid 1334 and name HA )) 2.500 0.800 0.800 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.48264E-02 ppm1 8.248 ppm2 4.137 CV 1 ASSI { 1535} (( segid " " and resid 1334 and name H )) (( segid " " and resid 1333 and name HB3 )) 2.900 1.000 1.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.22622E-02 ppm1 8.248 ppm2 4.066 CV 1 ASSI { 1537} (( segid " " and resid 1356 and name H )) (( segid " " and resid 1356 and name HA )) 2.900 1.100 1.100 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.23117E-02 ppm1 8.246 ppm2 4.329 CV 1 ASSI { 1538} (( segid " " and resid 1334 and name H )) (( segid " " and resid 1335 and name H )) 2.700 0.900 0.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.24635E-02 ppm1 8.248 ppm2 7.832 CV 1 ASSI { 1541} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1337 and name H )) 3.800 1.800 1.800 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.56511E-03 ppm1 7.828 ppm2 8.160 CV 1 ASSI { 1543} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1336 and name HA )) 4.700 2.800 1.300 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.36556E-03 ppm1 7.829 ppm2 3.996 CV 1 ASSI { 1544} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1335 and name HA )) 2.600 0.800 0.800 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.36361E-02 ppm1 7.828 ppm2 3.916 CV 1 ASSI { 1545} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1333 and name HA )) 4.100 2.100 1.900 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.33907E-03 ppm1 7.827 ppm2 4.309 CV 1 ASSI { 1546} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1334 and name HA )) 3.200 1.300 1.300 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 7.828 ppm2 4.137 CV 1 ASSI { 1547} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1334 and name HB2 )) 3.600 1.700 1.700 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.20220E-02 ppm1 7.828 ppm2 2.132 CV 1 ASSI { 1548} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1335 and name HB2 )) 2.300 0.700 0.700 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.37262E-02 ppm1 7.828 ppm2 2.040 CV 1 ASSI { 1549} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1334 and name HG2 )) 4.100 2.100 1.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.27726E-03 ppm1 7.827 ppm2 2.547 CV 1 ASSI { 1550} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1334 and name HG3 )) 5.100 3.200 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.27196E-03 ppm1 7.828 ppm2 2.404 CV 1 ASSI { 1551} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1335 and name HB3 )) 2.500 0.800 0.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.50366E-02 ppm1 7.828 ppm2 1.526 CV 1 ASSI { 1552} (( segid " " and resid 1335 and name H )) (( segid " " and resid 1322 and name HB2 )) 4.100 2.100 1.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.31258E-03 ppm1 7.827 ppm2 1.372 CV 1 ASSI { 1553} (( segid " " and resid 1335 and name H )) ( segid " " and resid 1322 and name HD2%) 4.000 2.000 2.000 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.55628E-03 ppm1 7.829 ppm2 0.981 CV 1 ASSI { 1554} (( segid " " and resid 1335 and name H )) ( segid " " and resid 1335 and name HD2%) 4.400 2.400 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.78231E-03 ppm1 7.828 ppm2 0.884 CV 1 ASSI { 1556} (( segid " " and resid 1339 and name H )) (( segid " " and resid 1340 and name H )) 2.600 0.800 0.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.33430E-02 ppm1 8.454 ppm2 7.777 CV 1 ASSI { 1559} (( segid " " and resid 1340 and name H )) (( segid " " and resid 1338 and name H )) 3.700 1.700 1.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.70636E-03 ppm1 7.773 ppm2 8.156 CV 1 ASSI { 1561} (( segid " " and resid 1340 and name H )) (( segid " " and resid 1341 and name H )) 2.600 0.800 0.800 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.31788E-02 ppm1 7.773 ppm2 7.594 CV 1 ASSI { 1562} (( segid " " and resid 1340 and name H )) (( segid " " and resid 1341 and name HA )) 4.800 2.800 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.36203E-03 ppm1 7.774 ppm2 4.321 CV 1 ASSI { 1563} (( segid " " and resid 1340 and name H )) (( segid " " and resid 1338 and name HA )) 3.900 1.900 1.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.52097E-03 ppm1 7.774 ppm2 4.219 CV 1 ASSI { 1568} (( segid " " and resid 1340 and name H )) ( segid " " and resid 1341 and name HB% ) 4.200 2.200 1.800 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.90419E-03 ppm1 7.773 ppm2 1.596 CV 1 ASSI { 1569} (( segid " " and resid 1340 and name H )) ( segid " " and resid 1337 and name HB% ) 3.000 3.000 3.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.87238E-03 ppm1 7.774 ppm2 1.491 CV 1 ASSI { 1570} (( segid " " and resid 1340 and name H )) ( segid " " and resid 1339 and name HB% ) 2.600 0.800 0.800 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.34084E-02 ppm1 7.774 ppm2 1.379 CV 1 ASSI { 1571} (( segid " " and resid 1340 and name H )) ( segid " " and resid 1257 and name HG1%) 3.400 1.400 1.400 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.40970E-03 ppm1 7.773 ppm2 0.977 CV 1 ASSI { 1572} (( segid " " and resid 1340 and name H )) ( segid " " and resid 1315 and name HD2%) 4.600 2.600 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.42737E-03 ppm1 7.773 ppm2 0.816 CV 1 ASSI { 1573} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1339 and name H )) 3.700 1.700 1.700 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.58808E-03 ppm1 7.590 ppm2 8.460 CV 1 ASSI { 1574} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1343 and name H )) 4.200 2.200 1.800 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.37969E-03 ppm1 7.591 ppm2 8.385 CV 1 ASSI { 1575} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1338 and name H )) 4.200 2.200 1.800 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.31434E-03 ppm1 7.590 ppm2 8.156 CV 1 ASSI { 1577} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1342 and name H )) 2.800 1.000 1.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 7.591 ppm2 7.659 CV 1 ASSI { 1580} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1340 and name HA )) 3.100 1.200 1.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.16618E-02 ppm1 7.591 ppm2 4.130 CV 1 ASSI { 1581} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1339 and name HA )) 3.700 1.700 1.700 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.52626E-03 ppm1 7.591 ppm2 3.966 CV 1 ASSI { 1582} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1342 and name HA )) 5.100 3.300 0.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.23311E-03 ppm1 7.590 ppm2 3.683 CV 1 ASSI { 1583} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1342 and name HB )) 4.600 2.700 1.400 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.40088E-03 ppm1 7.591 ppm2 2.430 CV 1 ASSI { 1584} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1340 and name HB2 )) 2.700 0.900 0.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.36008E-02 ppm1 7.591 ppm2 1.975 CV 1 OR { 1584} (( segid " " and resid 1341 and name H )) (( segid " " and resid 1340 and name HB3 )) ASSI { 1586} (( segid " " and resid 1341 and name H )) ( segid " " and resid 1338 and name HB% ) 4.000 2.000 2.000 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.65874E-03 ppm1 7.591 ppm2 1.486 CV 1 ASSI { 1588} (( segid " " and resid 1341 and name H )) ( segid " " and resid 1342 and name HG2%) 4.500 2.600 1.500 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.43796E-03 ppm1 7.591 ppm2 1.094 CV 1 ASSI { 1592} (( segid " " and resid 1342 and name H )) ( segid " " and resid 1315 and name HD2%) 5.100 3.200 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.25430E-03 ppm1 7.651 ppm2 0.817 CV 1 ASSI { 1593} (( segid " " and resid 1342 and name H )) ( segid " " and resid 1339 and name HB% ) 3.300 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.44326E-03 ppm1 7.649 ppm2 1.379 CV 1 ASSI { 1594} (( segid " " and resid 1342 and name H )) ( segid " " and resid 1343 and name HG2%) 5.100 3.200 0.900 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.29315E-03 ppm1 7.649 ppm2 1.270 CV 1 ASSI { 1595} (( segid " " and resid 1342 and name H )) ( segid " " and resid 1341 and name HB% ) 2.700 0.900 0.900 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.28627E-02 ppm1 7.649 ppm2 1.597 CV 1 ASSI { 1596} (( segid " " and resid 1342 and name H )) ( segid " " and resid 1338 and name HB% ) 4.300 2.400 1.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.29315E-03 ppm1 7.650 ppm2 1.476 CV 1 ASSI { 1597} (( segid " " and resid 1342 and name H )) (( segid " " and resid 1340 and name HB2 )) 3.900 1.900 1.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.36026E-03 ppm1 7.649 ppm2 1.977 CV 1 OR { 1597} (( segid " " and resid 1342 and name H )) (( segid " " and resid 1340 and name HB3 )) ASSI { 1598} (( segid " " and resid 1342 and name H )) (( segid " " and resid 1342 and name HB )) 2.400 0.700 0.700 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.44803E-02 ppm1 7.650 ppm2 2.431 CV 1 ASSI { 1599} (( segid " " and resid 1342 and name H )) (( segid " " and resid 1341 and name HA )) 3.400 1.500 1.500 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.98718E-03 ppm1 7.649 ppm2 4.321 CV 1 ASSI { 1600} (( segid " " and resid 1342 and name H )) (( segid " " and resid 1338 and name HA )) 3.700 1.700 1.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.73643E-03 ppm1 7.650 ppm2 4.214 CV 1 ASSI { 1601} (( segid " " and resid 1342 and name H )) (( segid " " and resid 1340 and name HA )) 3.700 1.700 1.700 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.64635E-03 ppm1 7.649 ppm2 4.123 CV 1 ASSI { 1604} (( segid " " and resid 1342 and name H )) (( segid " " and resid 1343 and name H )) 2.700 0.900 0.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.26472E-02 ppm1 7.649 ppm2 8.385 CV 1 ASSI { 1606} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1344 and name H )) 2.700 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.23664E-02 ppm1 8.382 ppm2 8.935 CV 1 ASSI { 1609} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1339 and name HA )) 3.700 1.700 1.700 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.62338E-03 ppm1 8.380 ppm2 3.959 CV 1 ASSI { 1611} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1343 and name HA )) 2.600 0.800 0.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.35037E-02 ppm1 8.381 ppm2 4.117 CV 1 ASSI { 1612} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1344 and name HA )) 5.000 3.200 1.000 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.25960E-03 ppm1 8.381 ppm2 4.502 CV 1 ASSI { 1613} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1341 and name HA )) 4.200 2.200 1.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.32494E-03 ppm1 8.381 ppm2 4.322 CV 1 ASSI { 1614} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1342 and name HA )) 3.500 1.500 1.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.80702E-03 ppm1 8.381 ppm2 3.684 CV 1 ASSI { 1615} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1342 and name HB )) 2.500 0.800 0.800 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.35072E-02 ppm1 8.381 ppm2 2.431 CV 1 ASSI { 1616} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1344 and name HB2 )) 4.900 3.100 1.100 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.33730E-03 ppm1 8.382 ppm2 2.835 CV 1 ASSI { 1618} (( segid " " and resid 1343 and name H )) ( segid " " and resid 1339 and name HB% ) 3.400 1.400 1.400 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.37439E-03 ppm1 8.381 ppm2 1.379 CV 1 ASSI { 1619} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1346 and name HB )) 4.600 2.600 1.400 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.31434E-03 ppm1 8.381 ppm2 2.014 CV 1 ASSI { 1620} (( segid " " and resid 1343 and name H )) (( segid " " and resid 1340 and name HB3 )) 4.200 2.200 1.800 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.32494E-03 ppm1 8.382 ppm2 1.980 CV 1 ASSI { 1624} (( segid " " and resid 1343 and name H )) ( segid " " and resid 1346 and name HD1%) 4.500 2.500 1.500 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.34260E-03 ppm1 8.381 ppm2 0.544 CV 1 ASSI { 1625} (( segid " " and resid 1344 and name H )) ( segid " " and resid 1341 and name HB% ) 4.400 2.400 1.600 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.44503E-03 ppm1 8.930 ppm2 1.595 CV 1 ASSI { 1628} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1344 and name HB3 )) 2.800 0.900 0.900 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.25854E-02 ppm1 8.931 ppm2 2.679 CV 1 ASSI { 1630} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1341 and name HA )) 3.200 1.200 1.200 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 8.931 ppm2 4.321 CV 1 ASSI { 1631} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1343 and name HB )) 2.700 0.900 0.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.23470E-02 ppm1 8.931 ppm2 4.207 CV 1 ASSI { 1633} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1345 and name HA )) 4.900 3.000 1.100 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.29315E-03 ppm1 8.930 ppm2 4.025 CV 1 ASSI { 1634} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1345 and name H )) 2.700 0.900 0.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.23911E-02 ppm1 8.931 ppm2 7.932 CV 1 ASSI { 1635} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1342 and name H )) 3.900 1.900 1.900 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.43620E-03 ppm1 8.931 ppm2 7.657 CV 1 ASSI { 1636} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1346 and name H )) 4.400 2.400 1.600 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.30551E-03 ppm1 8.931 ppm2 8.498 CV 1 ASSI { 1639} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1346 and name H )) 2.700 0.900 0.900 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.23841E-02 ppm1 7.927 ppm2 8.499 CV 1 ASSI { 1640} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1343 and name H )) 3.700 1.700 1.700 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.73817E-03 ppm1 7.927 ppm2 8.399 CV 1 ASSI { 1641} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1345 and name HA )) 2.600 0.800 0.800 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.37933E-02 ppm1 7.927 ppm2 4.031 CV 1 ASSI { 1642} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1344 and name HA )) 3.400 1.400 1.400 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 7.927 ppm2 4.502 CV 1 ASSI { 1643} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1345 and name HB2 )) 2.400 0.700 0.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.38075E-02 ppm1 7.927 ppm2 4.321 CV 1 ASSI { 1644} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1344 and name HB2 )) 3.600 1.600 1.600 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.19549E-02 ppm1 7.927 ppm2 2.834 CV 1 ASSI { 1646} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1346 and name HB )) 4.400 2.400 1.600 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.49094E-03 ppm1 7.928 ppm2 2.039 CV 1 ASSI { 1647} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1346 and name HG13)) 4.700 2.700 1.300 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 7.928 ppm2 1.862 CV 1 ASSI { 1648} (( segid " " and resid 1345 and name H )) ( segid " " and resid 1341 and name HB% ) 4.200 2.200 1.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.36026E-03 ppm1 7.927 ppm2 1.600 CV 1 ASSI { 1649} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1346 and name HB )) 2.500 0.800 0.800 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.33112E-02 ppm1 8.494 ppm2 2.029 CV 1 ASSI { 1650} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1346 and name HG13)) 2.400 0.700 0.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.23929E-02 ppm1 8.494 ppm2 1.863 CV 1 ASSI { 1651} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1308 and name HG13)) 3.400 1.400 1.400 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.88297E-03 ppm1 8.494 ppm2 1.066 CV 1 ASSI { 1653} (( segid " " and resid 1346 and name H )) ( segid " " and resid 1346 and name HG2%) 4.000 2.000 2.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 8.494 ppm2 0.879 CV 1 ASSI { 1654} (( segid " " and resid 1346 and name H )) ( segid " " and resid 1343 and name HG2%) 4.600 2.600 1.400 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.25607E-03 ppm1 8.494 ppm2 1.271 CV 1 ASSI { 1655} (( segid " " and resid 1346 and name H )) ( segid " " and resid 1346 and name HD1%) 3.800 1.800 1.800 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.13457E-02 ppm1 8.494 ppm2 0.541 CV 1 ASSI { 1656} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1346 and name HG12)) 3.800 1.800 1.800 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.14269E-02 ppm1 8.494 ppm2 0.458 CV 1 ASSI { 1657} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1344 and name HA )) 3.900 1.900 1.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.44679E-03 ppm1 8.494 ppm2 4.500 CV 1 ASSI { 1658} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1345 and name HB2 )) 3.200 1.300 1.300 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.72404E-03 ppm1 8.494 ppm2 4.321 CV 1 OR { 1658} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1345 and name HB3 )) ASSI { 1660} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1345 and name HA )) 3.300 1.300 1.300 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.11479E-02 ppm1 8.494 ppm2 4.030 CV 1 ASSI { 1662} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1348 and name H )) 4.300 2.400 1.700 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.28079E-03 ppm1 8.495 ppm2 8.088 CV 1 ASSI { 1664} (( segid " " and resid 1346 and name H )) (( segid " " and resid 1347 and name H )) 2.700 0.900 0.900 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.20768E-02 ppm1 8.494 ppm2 8.407 CV 1 ASSI { 1667} (( segid " " and resid 1347 and name H )) (( segid " " and resid 1348 and name H )) 2.700 0.900 0.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 8.403 ppm2 8.088 CV 1 ASSI { 1669} (( segid " " and resid 1347 and name H )) (( segid " " and resid 1347 and name HD22)) 4.600 2.600 1.400 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.28256E-03 ppm1 8.404 ppm2 6.772 CV 1 ASSI { 1670} (( segid " " and resid 1347 and name H )) (( segid " " and resid 1347 and name HA )) 2.600 0.800 0.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.40653E-02 ppm1 8.404 ppm2 4.500 CV 1 ASSI { 1671} (( segid " " and resid 1347 and name H )) (( segid " " and resid 1345 and name HB2 )) 4.400 2.400 1.600 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.35496E-03 ppm1 8.403 ppm2 4.322 CV 1 ASSI { 1672} (( segid " " and resid 1347 and name H )) (( segid " " and resid 1343 and name HA )) 3.500 1.500 1.500 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.97485E-03 ppm1 8.404 ppm2 4.111 CV 1 ASSI { 1676} (( segid " " and resid 1347 and name H )) (( segid " " and resid 1346 and name HB )) 2.600 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.28520E-02 ppm1 8.404 ppm2 2.029 CV 1 ASSI { 1677} (( segid " " and resid 1347 and name H )) (( segid " " and resid 1346 and name HG13)) 4.300 2.300 1.700 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.49977E-03 ppm1 8.403 ppm2 1.863 CV 1 ASSI { 1678} (( segid " " and resid 1347 and name H )) ( segid " " and resid 1343 and name HG2%) 4.000 2.000 2.000 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.39028E-03 ppm1 8.404 ppm2 1.273 CV 1 ASSI { 1681} (( segid " " and resid 1347 and name HD21)) ( segid " " and resid 1343 and name HG2%) 3.600 1.600 1.600 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.10578E-02 ppm1 7.679 ppm2 1.271 CV 1 ASSI { 1685} (( segid " " and resid 1347 and name HD21)) (( segid " " and resid 1347 and name HD22)) 1.800 0.400 0.400 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.13531E-01 ppm1 7.679 ppm2 6.774 CV 1 ASSI { 1686} (( segid " " and resid 1347 and name HD21)) (( segid " " and resid 1347 and name H )) 3.900 1.900 1.900 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.36203E-03 ppm1 7.678 ppm2 8.406 CV 1 ASSI { 1691} (( segid " " and resid 1348 and name H )) (( segid " " and resid 1349 and name HB2 )) 4.900 3.000 1.100 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.30551E-03 ppm1 8.084 ppm2 1.755 CV 1 ASSI { 1695} (( segid " " and resid 1348 and name H )) (( segid " " and resid 1348 and name HB2 )) 2.300 0.600 0.600 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.61332E-02 ppm1 8.084 ppm2 2.252 CV 1 ASSI { 1696} (( segid " " and resid 1348 and name H )) (( segid " " and resid 1348 and name HA )) 2.600 0.800 0.800 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.36980E-02 ppm1 8.084 ppm2 4.107 CV 1 ASSI { 1697} (( segid " " and resid 1348 and name H )) (( segid " " and resid 1347 and name HA )) 3.200 1.300 1.300 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 8.084 ppm2 4.500 CV 1 ASSI { 1698} (( segid " " and resid 1348 and name H )) (( segid " " and resid 1349 and name H )) 2.700 0.900 0.900 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.26914E-02 ppm1 8.084 ppm2 7.600 CV 1 ASSI { 1700} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1350 and name H )) 2.600 0.900 0.900 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.26119E-02 ppm1 7.596 ppm2 8.401 CV 1 ASSI { 1701} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1351 and name H )) 4.200 2.200 1.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.31611E-03 ppm1 7.596 ppm2 8.232 CV 1 ASSI { 1703} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1347 and name HA )) 4.000 2.000 2.000 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.37969E-03 ppm1 7.596 ppm2 4.499 CV 1 ASSI { 1704} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1345 and name HB3 )) 3.800 1.800 1.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.35143E-03 ppm1 7.595 ppm2 4.322 CV 1 ASSI { 1707} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1350 and name HA )) 5.100 3.200 0.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.23311E-03 ppm1 7.598 ppm2 3.821 CV 1 ASSI { 1709} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1348 and name HG2 )) 4.500 2.500 1.500 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.29138E-03 ppm1 7.595 ppm2 2.517 CV 1 ASSI { 1710} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1349 and name HB3 )) 2.500 0.800 0.800 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.40123E-02 ppm1 7.596 ppm2 2.294 CV 1 ASSI { 1711} (( segid " " and resid 1349 and name H )) (( segid " " and resid 1349 and name HB2 )) 2.500 0.800 0.800 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.30640E-02 ppm1 7.596 ppm2 1.751 CV 1 ASSI { 1713} (( segid " " and resid 1349 and name H )) ( segid " " and resid 1349 and name HD1%) 3.700 1.700 1.700 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.19973E-02 ppm1 7.596 ppm2 1.062 CV 1 ASSI { 1714} (( segid " " and resid 1349 and name H )) ( segid " " and resid 1346 and name HG2%) 4.200 2.200 1.800 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.38322E-03 ppm1 7.596 ppm2 0.868 CV 1 ASSI { 1715} (( segid " " and resid 1350 and name H )) ( segid " " and resid 1349 and name HD1%) 3.500 1.500 1.500 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.10543E-02 ppm1 8.395 ppm2 1.061 CV 1 ASSI { 1718} (( segid " " and resid 1350 and name H )) ( segid " " and resid 1351 and name HG2%) 5.400 3.600 0.600 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.23664E-03 ppm1 8.393 ppm2 1.277 CV 1 ASSI { 1721} (( segid " " and resid 1350 and name H )) (( segid " " and resid 1349 and name HB2 )) 3.800 1.800 1.800 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.12415E-02 ppm1 8.395 ppm2 1.742 CV 1 ASSI { 1722} (( segid " " and resid 1350 and name H )) (( segid " " and resid 1350 and name HG12)) 2.300 0.600 0.600 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.38728E-02 ppm1 8.395 ppm2 1.578 CV 1 ASSI { 1724} (( segid " " and resid 1350 and name H )) (( segid " " and resid 1346 and name HA )) 4.100 2.100 1.900 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.37262E-03 ppm1 8.393 ppm2 3.639 CV 1 ASSI { 1725} (( segid " " and resid 1350 and name H )) (( segid " " and resid 1347 and name HA )) 3.100 1.200 1.200 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.14216E-02 ppm1 8.395 ppm2 4.499 CV 1 ASSI { 1726} (( segid " " and resid 1350 and name H )) (( segid " " and resid 1351 and name HB )) 4.900 3.000 1.100 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.31258E-03 ppm1 8.396 ppm2 4.303 CV 1 ASSI { 1730} (( segid " " and resid 1350 and name H )) (( segid " " and resid 1351 and name H )) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.19055E-02 ppm1 8.395 ppm2 8.232 CV 1 ASSI { 1732} (( segid " " and resid 1351 and name H )) (( segid " " and resid 1353 and name H )) 4.500 2.500 1.500 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.27903E-03 ppm1 8.229 ppm2 8.040 CV 1 ASSI { 1735} (( segid " " and resid 1351 and name H )) (( segid " " and resid 1347 and name HA )) 3.600 1.600 1.600 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.77527E-03 ppm1 8.230 ppm2 4.499 CV 1 ASSI { 1737} (( segid " " and resid 1351 and name H )) (( segid " " and resid 1348 and name HA )) 3.400 1.400 1.400 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.91652E-03 ppm1 8.230 ppm2 4.108 CV 1 ASSI { 1741} (( segid " " and resid 1351 and name H )) (( segid " " and resid 1350 and name HB )) 2.700 0.900 0.900 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.25607E-02 ppm1 8.230 ppm2 2.205 CV 1 ASSI { 1742} (( segid " " and resid 1351 and name H )) (( segid " " and resid 1350 and name HG12)) 3.900 1.900 1.900 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 8.229 ppm2 1.576 CV 1 ASSI { 1745} (( segid " " and resid 1351 and name H )) ( segid " " and resid 1350 and name HD1%) 3.300 1.300 1.300 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.48564E-03 ppm1 8.230 ppm2 0.845 CV 1 ASSI { 1747} (( segid " " and resid 1352 and name H )) ( segid " " and resid 1349 and name HD2%) 4.100 2.100 1.900 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.39381E-03 ppm1 7.849 ppm2 1.073 CV 1 ASSI { 1749} (( segid " " and resid 1354 and name H )) ( segid " " and resid 1350 and name HG2%) 4.000 2.000 2.000 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.32847E-03 ppm1 7.752 ppm2 0.950 CV 1 ASSI { 1750} (( segid " " and resid 1354 and name H )) (( segid " " and resid 1353 and name HB3 )) 3.300 1.400 1.400 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.90065E-03 ppm1 7.753 ppm2 3.021 CV 1 ASSI { 1752} (( segid " " and resid 1354 and name H )) (( segid " " and resid 1351 and name HA )) 3.500 1.500 1.500 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.72933E-03 ppm1 7.753 ppm2 4.028 CV 1 ASSI { 1753} (( segid " " and resid 1354 and name H )) (( segid " " and resid 1353 and name HA )) 3.200 1.200 1.200 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.18066E-02 ppm1 7.752 ppm2 4.555 CV 1 ASSI { 1755} (( segid " " and resid 1354 and name H )) (( segid " " and resid 1354 and name HB )) 3.000 1.100 1.100 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.27991E-02 ppm1 7.752 ppm2 4.338 CV 1 ASSI { 1757} (( segid " " and resid 1354 and name H )) (( segid " " and resid 1353 and name H )) 2.700 0.900 0.900 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.29527E-02 ppm1 7.752 ppm2 8.037 CV 1 ASSI { 1758} (( segid " " and resid 1355 and name H )) (( segid " " and resid 1354 and name H )) 3.500 1.500 1.500 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.17359E-02 ppm1 8.139 ppm2 7.757 CV 1 ASSI { 1761} (( segid " " and resid 1355 and name H )) (( segid " " and resid 1355 and name HG3 )) 3.200 1.300 1.300 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.15346E-02 ppm1 8.139 ppm2 2.397 CV 1 OR { 1761} (( segid " " and resid 1355 and name H )) (( segid " " and resid 1355 and name HG2 )) ASSI { 1763} (( segid " " and resid 1355 and name H )) (( segid " " and resid 1355 and name HB3 )) 2.900 1.100 1.100 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.26030E-02 ppm1 8.139 ppm2 2.054 CV 1 ASSI { 1764} (( segid " " and resid 1355 and name H )) ( segid " " and resid 1354 and name HG2%) 3.900 1.900 1.900 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.98718E-03 ppm1 8.140 ppm2 1.258 CV 1 ASSI { 1765} (( segid " " and resid 1334 and name HE21)) (( segid " " and resid 1334 and name HE22)) 1.600 0.300 0.600 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.22490E-01 ppm1 7.438 ppm2 6.818 CV 1 ASSI { 1768} (( segid " " and resid 1334 and name HE22)) (( segid " " and resid 1331 and name HA )) 4.700 2.800 1.300 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.25430E-03 ppm1 6.816 ppm2 4.132 CV 1 ASSI { 1770} (( segid " " and resid 1334 and name HE21)) (( segid " " and resid 1334 and name HG3 )) 3.800 1.800 1.800 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.68345E-03 ppm1 7.438 ppm2 2.406 CV 1 ASSI { 1771} (( segid " " and resid 1334 and name HE21)) (( segid " " and resid 1334 and name HB2 )) 4.100 2.200 1.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.33377E-03 ppm1 7.438 ppm2 2.137 CV 1 ASSI { 1772} (( segid " " and resid 1334 and name HE22)) (( segid " " and resid 1334 and name HB2 )) 5.000 3.100 1.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.28609E-03 ppm1 6.814 ppm2 2.136 CV 1 ASSI { 1773} (( segid " " and resid 1334 and name HE22)) (( segid " " and resid 1334 and name HG2 )) 4.200 2.200 1.800 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.61105E-03 ppm1 6.815 ppm2 2.545 CV 1 ASSI { 1774} (( segid " " and resid 1334 and name HE22)) (( segid " " and resid 1334 and name HG3 )) 4.300 2.300 1.700 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.56688E-03 ppm1 6.816 ppm2 2.407 CV 1 ASSI { 1775} (( segid " " and resid 1334 and name HE21)) ( segid " " and resid 1318 and name HB% ) 3.500 1.500 1.500 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.47858E-03 ppm1 7.438 ppm2 1.516 CV 1 ASSI { 1776} (( segid " " and resid 1334 and name HE22)) ( segid " " and resid 1321 and name HB% ) 3.900 1.900 1.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.37262E-03 ppm1 6.816 ppm2 1.523 CV 1 ASSI { 1782} (( segid " " and resid 1236 and name HE21)) (( segid " " and resid 1236 and name HA )) 4.300 2.300 1.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.26490E-03 ppm1 7.636 ppm2 3.993 CV 1 ASSI { 1783} (( segid " " and resid 1236 and name HE22)) (( segid " " and resid 1236 and name HA )) 4.900 3.000 1.100 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.29492E-03 ppm1 6.958 ppm2 3.994 CV 1 ASSI { 1787} (( segid " " and resid 1265 and name HE21)) (( segid " " and resid 1265 and name HG2 )) 3.300 1.400 1.400 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.62693E-03 ppm1 6.950 ppm2 2.428 CV 1 ASSI { 1789} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1213 and name HB2 )) 2.500 0.800 0.800 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.45121E-02 ppm1 8.280 ppm2 1.797 CV 1 ASSI { 1791} (( segid " " and resid 1259 and name H )) (( segid " " and resid 1258 and name HB3 )) 3.300 1.400 1.400 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.22375E-02 ppm1 8.420 ppm2 2.166 CV 1 ASSI { 1793} (( segid " " and resid 1314 and name H )) (( segid " " and resid 1314 and name HA )) 2.600 0.800 0.800 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.35620E-02 ppm1 7.813 ppm2 3.953 CV 1 ASSI { 1794} (( segid " " and resid 1353 and name H )) (( segid " " and resid 1353 and name HB2 )) 2.800 1.000 1.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.26172E-02 ppm1 8.033 ppm2 3.054 CV 1 ASSI { 1795} (( segid " " and resid 1300 and name HE21)) (( segid " " and resid 1300 and name HG2 )) 3.100 1.200 1.200 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.12680E-02 ppm1 7.423 ppm2 2.532 CV 1 OR { 1795} (( segid " " and resid 1300 and name HE21)) (( segid " " and resid 1300 and name HG3 )) ASSI { 1796} (( segid " " and resid 1251 and name HE21)) ( segid " " and resid 1254 and name HG2%) 4.300 2.300 1.700 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.30022E-03 ppm1 7.801 ppm2 1.276 CV 1 ASSI { 1799} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1209 and name HA )) 3.600 1.600 1.600 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.27620E-02 ppm1 8.488 ppm2 3.772 CV 1 ASSI { 1805} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1269 and name HB3 )) 3.800 1.900 1.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.69933E-03 ppm1 8.430 ppm2 1.983 CV 1 OR { 1805} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1269 and name HB2 )) ASSI { 1806} (( segid " " and resid 1272 and name H )) (( segid " " and resid 1209 and name HA )) 3.100 3.100 2.900 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.67461E-03 ppm1 7.958 ppm2 3.771 CV 1 ASSI { 1808} (( segid " " and resid 1289 and name H )) (( segid " " and resid 1288 and name HG2 )) 3.000 1.100 1.100 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.25253E-02 ppm1 8.546 ppm2 2.311 CV 1 ASSI { 1809} (( segid " " and resid 1288 and name H )) (( segid " " and resid 1288 and name HG2 )) 2.500 0.800 0.800 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.37898E-02 ppm1 7.746 ppm2 2.313 CV 1 ASSI { 1815} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1305 and name HG )) 4.700 2.800 1.300 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.42384E-03 ppm1 7.101 ppm2 2.097 CV 1 ASSI { 1817} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1306 and name HG3 )) 3.700 1.700 1.700 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.24476E-02 ppm1 8.817 ppm2 1.774 CV 1 OR { 1817} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1306 and name HD2 )) OR { 1817} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1306 and name HD3 )) ASSI { 1819} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1313 and name HB2 )) 3.200 1.300 1.300 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.35390E-02 ppm1 8.754 ppm2 3.819 CV 1 ASSI { 1825} (( segid " " and resid 1244 and name H )) (( segid " " and resid 1241 and name HG2 )) 3.200 3.200 2.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.25448E-02 ppm1 7.951 ppm2 1.811 CV 1 OR { 1825} (( segid " " and resid 1244 and name H )) (( segid " " and resid 1241 and name HB2 )) ASSI { 1827} (( segid " " and resid 1340 and name H )) (( segid " " and resid 1340 and name HG2 )) 3.000 1.200 1.200 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 7.774 ppm2 1.771 CV 1 ASSI { 1828} (( segid " " and resid 1340 and name H )) (( segid " " and resid 1340 and name HG3 )) 4.100 2.100 1.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.78231E-03 ppm1 7.774 ppm2 1.705 CV 1 ASSI { 1829} (( segid " " and resid 1345 and name H )) (( segid " " and resid 1308 and name HG13)) 4.300 2.300 1.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.56158E-03 ppm1 7.928 ppm2 1.079 CV 1 OR { 1829} (( segid " " and resid 1345 and name H )) ( segid " " and resid 1308 and name HG2%) ASSI { 1} (( segid " " and resid 1285 and name HA2 )) (( segid " " and resid 1288 and name HG2 )) 3.200 3.200 2.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.80557E-03 ppm1 3.375 ppm2 2.311 CV 1 OR { 1} (( segid " " and resid 1285 and name HA2 )) (( segid " " and resid 1305 and name HB3 )) ASSI { 5} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1291 and name HG2 )) 2.600 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.50740E-02 ppm1 1.392 ppm2 2.235 CV 1 OR { 5} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1287 and name HG3 )) ASSI { 8} (( segid " " and resid 1259 and name HA )) (( segid " " and resid 1262 and name H )) 3.100 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.16327E-02 ppm1 4.172 ppm2 7.818 CV 1 OR { 8} (( segid " " and resid 1259 and name HA )) (( segid " " and resid 1260 and name H )) ASSI { 10} (( segid " " and resid 1260 and name HA )) ( segid " " and resid 1267 and name HD2%) 3.000 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.22129E-02 ppm1 4.084 ppm2 0.860 CV 1 OR { 10} (( segid " " and resid 1260 and name HA )) ( segid " " and resid 1335 and name HD1%) ASSI { 11} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1241 and name HD2 )) 3.300 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.16235E-02 ppm1 1.246 ppm2 3.184 CV 1 OR { 11} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1241 and name HD3 )) OR { 11} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1285 and name HA3 )) ASSI { 15} (( segid " " and resid 1261 and name HA )) (( segid " " and resid 1261 and name HD2 )) 3.600 1.600 1.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 4.529 ppm2 3.250 CV 1 OR { 15} (( segid " " and resid 1261 and name HA )) (( segid " " and resid 1261 and name HD3 )) OR { 15} (( segid " " and resid 1211 and name HA )) (( segid " " and resid 1214 and name HD3 )) ASSI { 16} (( segid " " and resid 1218 and name HB2 )) (( segid " " and resid 1215 and name HA )) 3.100 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.28549E-02 ppm1 2.835 ppm2 4.299 CV 1 OR { 16} (( segid " " and resid 1344 and name HB2 )) (( segid " " and resid 1341 and name HA )) ASSI { 17} (( segid " " and resid 1344 and name HB3 )) (( segid " " and resid 1341 and name HA )) 2.800 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.20370E-02 ppm1 2.677 ppm2 4.301 CV 1 OR { 17} (( segid " " and resid 1218 and name HB3 )) (( segid " " and resid 1215 and name HA )) ASSI { 18} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1278 and name HA )) 3.600 1.700 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.98764E-03 ppm1 4.479 ppm2 3.909 CV 1 OR { 18} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1280 and name HA )) OR { 18} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1274 and name HA )) ASSI { 19} (( segid " " and resid 1258 and name HB3 )) (( segid " " and resid 1258 and name HA )) 2.300 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.74352E-02 ppm1 2.181 ppm2 4.004 CV 1 OR { 19} (( segid " " and resid 1236 and name HB2 )) (( segid " " and resid 1236 and name HA )) ASSI { 22} (( segid " " and resid 1251 and name HA )) (( segid " " and resid 1251 and name HG2 )) 2.500 0.800 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.45185E-02 ppm1 4.135 ppm2 2.440 CV 1 OR { 22} (( segid " " and resid 1334 and name HA )) (( segid " " and resid 1334 and name HG3 )) OR { 22} (( segid " " and resid 1251 and name HA )) (( segid " " and resid 1251 and name HG3 )) ASSI { 23} (( segid " " and resid 1244 and name HB3 )) (( segid " " and resid 1244 and name HG2 )) 2.600 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 2.134 ppm2 2.406 CV 1 OR { 23} (( segid " " and resid 1356 and name HB3 )) (( segid " " and resid 1356 and name HG3 )) OR { 23} (( segid " " and resid 1356 and name HB3 )) (( segid " " and resid 1356 and name HG2 )) OR { 23} (( segid " " and resid 1244 and name HB2 )) (( segid " " and resid 1244 and name HG2 )) ASSI { 28} ( segid " " and resid 1321 and name HB% ) (( segid " " and resid 1325 and name HB2 )) 3.200 1.300 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14661E-02 ppm1 1.559 ppm2 2.504 CV 1 OR { 28} ( segid " " and resid 1299 and name HB% ) (( segid " " and resid 1300 and name HG3 )) OR { 28} ( segid " " and resid 1299 and name HB% ) (( segid " " and resid 1300 and name HG2 )) ASSI { 29} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1305 and name HG )) 3.100 3.100 2.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.15494E-02 ppm1 1.124 ppm2 2.096 CV 1 OR { 29} ( segid " " and resid 1301 and name HG1%) (( segid " " and resid 1298 and name HB2 )) ASSI { 30} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1349 and name HA )) 3.900 1.900 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.74381E-03 ppm1 3.084 ppm2 4.216 CV 1 OR { 30} (( segid " " and resid 1304 and name HB2 )) (( segid " " and resid 1305 and name HA )) ASSI { 32} (( segid " " and resid 1306 and name HB3 )) (( segid " " and resid 1303 and name HB3 )) 3.500 1.600 1.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 2.134 ppm2 4.200 CV 1 OR { 32} (( segid " " and resid 1306 and name HB3 )) (( segid " " and resid 1303 and name HB2 )) OR { 32} (( segid " " and resid 1306 and name HB3 )) (( segid " " and resid 1305 and name HA )) ASSI { 38} (( segid " " and resid 1308 and name HA )) ( segid " " and resid 1308 and name HD1%) 3.200 1.300 1.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.23765E-02 ppm1 3.998 ppm2 0.970 CV 1 OR { 38} (( segid " " and resid 1308 and name HA )) ( segid " " and resid 1342 and name HG1%) ASSI { 39} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1308 and name HA )) 3.000 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.43333E-02 ppm1 1.061 ppm2 4.012 CV 1 OR { 39} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1307 and name HA2 )) OR { 39} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1246 and name HA )) ASSI { 40} (( segid " " and resid 1316 and name HG )) (( segid " " and resid 1316 and name HA )) 2.900 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.26605E-02 ppm1 1.595 ppm2 4.008 CV 1 OR { 40} (( segid " " and resid 1241 and name HG3 )) (( segid " " and resid 1284 and name HA )) OR { 40} (( segid " " and resid 1241 and name HG3 )) (( segid " " and resid 1238 and name HA )) ASSI { 42} (( segid " " and resid 1309 and name HA )) ( segid " " and resid 1308 and name HD1%) 3.200 1.200 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.13271E-02 ppm1 4.316 ppm2 0.969 CV 1 OR { 42} (( segid " " and resid 1345 and name HB2 )) ( segid " " and resid 1342 and name HG1%) OR { 42} (( segid " " and resid 1345 and name HB2 )) ( segid " " and resid 1308 and name HD1%) OR { 42} (( segid " " and resid 1345 and name HB3 )) ( segid " " and resid 1308 and name HD1%) ASSI { 44} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1241 and name HG3 )) 2.800 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.83488E-02 ppm1 0.827 ppm2 1.587 CV 1 OR { 44} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1350 and name HG13)) OR { 44} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1350 and name HG12)) ASSI { 45} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1241 and name HG3 )) 2.600 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.80987E-02 ppm1 0.812 ppm2 1.579 CV 1 OR { 45} ( segid " " and resid 1242 and name HD2%) ( segid " " and resid 1245 and name HB% ) OR { 45} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1350 and name HG13)) OR { 45} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1350 and name HG12)) OR { 45} ( segid " " and resid 1335 and name HD1%) ( segid " " and resid 1336 and name HB% ) ASSI { 46} ( segid " " and resid 1205 and name HG2%) (( segid " " and resid 1264 and name HB3 )) 3.300 1.400 1.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 1.226 ppm2 1.987 CV 1 OR { 46} ( segid " " and resid 1205 and name HG2%) (( segid " " and resid 1206 and name HB3 )) OR { 46} ( segid " " and resid 1205 and name HG2%) (( segid " " and resid 1265 and name HB2 )) OR { 46} ( segid " " and resid 1205 and name HG2%) (( segid " " and resid 1264 and name HB2 )) OR { 46} ( segid " " and resid 1280 and name HG2%) (( segid " " and resid 1283 and name HB3 )) ASSI { 47} (( segid " " and resid 1220 and name HA )) ( segid " " and resid 1223 and name HD1%) 3.400 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.13518E-02 ppm1 4.161 ppm2 0.966 CV 1 OR { 47} (( segid " " and resid 1220 and name HA )) ( segid " " and resid 1224 and name HD2%) ASSI { 48} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1252 and name H )) 3.900 1.900 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 0.382 ppm2 8.529 CV 1 OR { 48} ( segid " " and resid 1249 and name HD1%) (( segid " " and resid 1250 and name H )) ASSI { 50} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1319 and name HA )) 2.400 0.700 0.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.75614E-02 ppm1 0.972 ppm2 3.945 CV 1 OR { 50} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1260 and name HB3 )) OR { 50} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1332 and name HA )) ASSI { 51} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1260 and name H )) 3.700 1.700 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.88890E-03 ppm1 0.972 ppm2 7.799 CV 1 OR { 51} ( segid " " and resid 1322 and name HD2%) (( segid " " and resid 1335 and name H )) ASSI { 53} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1209 and name HA )) 3.500 3.500 2.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 0.596 ppm2 3.781 CV 1 OR { 53} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1320 and name HA )) ASSI { 54} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1323 and name HB3 )) 3.000 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 0.939 ppm2 3.992 CV 1 OR { 54} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1323 and name HB2 )) OR { 54} ( segid " " and resid 1286 and name HG1%) (( segid " " and resid 1290 and name HA3 )) OR { 54} ( segid " " and resid 1209 and name HG2%) (( segid " " and resid 1317 and name HA )) ASSI { 55} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1256 and name HB2 )) 3.400 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.25833E-02 ppm1 0.974 ppm2 1.606 CV 1 OR { 55} ( segid " " and resid 1257 and name HG1%) ( segid " " and resid 1253 and name HB% ) ASSI { 59} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1303 and name HB3 )) 3.400 1.500 1.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.18457E-02 ppm1 1.020 ppm2 4.195 CV 1 OR { 59} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1303 and name HB2 )) OR { 59} ( segid " " and resid 1302 and name HG1%) (( segid " " and resid 1305 and name HA )) ASSI { 61} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1260 and name H )) 3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.11018E-02 ppm1 0.808 ppm2 7.770 CV 1 OR { 61} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1336 and name H )) ASSI { 63} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1335 and name HB2 )) 2.600 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.64321E-02 ppm1 0.881 ppm2 2.029 CV 1 OR { 63} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1316 and name HB2 )) ASSI { 66} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1220 and name HB3 )) 3.300 3.300 2.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.27716E-02 ppm1 0.933 ppm2 4.042 CV 1 OR { 66} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1284 and name HA )) ASSI { 69} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1329 and name HA )) 3.600 1.600 1.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.25000E-02 ppm1 0.986 ppm2 4.316 CV 1 OR { 69} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1324 and name HA )) ASSI { 70} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1274 and name HB2 )) 3.000 3.000 3.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 0.845 ppm2 3.453 CV 1 OR { 70} ( segid " " and resid 1224 and name HD1%) (( segid " " and resid 1302 and name HA )) ASSI { 71} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1320 and name HE2 )) 3.400 3.400 2.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.86110E-03 ppm1 0.844 ppm2 2.949 CV 1 OR { 71} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1320 and name HE2 )) OR { 71} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1314 and name HE2 )) OR { 71} ( segid " " and resid 1224 and name HD1%) (( segid " " and resid 1314 and name HE2 )) OR { 71} ( segid " " and resid 1216 and name HG2%) (( segid " " and resid 1314 and name HE3 )) ASSI { 74} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1209 and name HA )) 3.100 3.100 2.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.19074E-02 ppm1 0.702 ppm2 3.778 CV 1 OR { 74} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1320 and name HA )) ASSI { 76} ( segid " " and resid 1213 and name HD1%) (( segid " " and resid 1317 and name HA )) 2.800 2.800 3.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.37562E-02 ppm1 0.945 ppm2 4.004 CV 1 OR { 76} ( segid " " and resid 1213 and name HD1%) (( segid " " and resid 1316 and name HA )) ASSI { 78} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1332 and name H )) 3.900 1.900 1.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.83331E-03 ppm1 0.822 ppm2 8.081 CV 1 OR { 78} ( segid " " and resid 1301 and name HG2%) (( segid " " and resid 1304 and name H )) OR { 78} ( segid " " and resid 1331 and name HD1%) (( segid " " and resid 1322 and name H )) ASSI { 79} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1328 and name HB2 )) 2.600 0.800 0.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.39074E-02 ppm1 1.050 ppm2 4.148 CV 1 OR { 79} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1331 and name HA )) ASSI { 81} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1320 and name HB2 )) 2.500 2.500 3.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.44382E-02 ppm1 1.050 ppm2 1.813 CV 1 OR { 81} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1261 and name HB3 )) ASSI { 86} (( segid " " and resid 1222 and name HB3 )) (( segid " " and resid 1283 and name HA )) 3.400 3.400 2.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 1.932 ppm2 3.793 CV 1 OR { 86} (( segid " " and resid 1229 and name HB3 )) (( segid " " and resid 1283 and name HA )) OR { 86} (( segid " " and resid 1222 and name HB2 )) (( segid " " and resid 1283 and name HA )) ASSI { 87} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1347 and name H )) 4.300 2.400 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.50617E-03 ppm1 1.064 ppm2 8.407 CV 1 OR { 87} ( segid " " and resid 1308 and name HG2%) (( segid " " and resid 1350 and name H )) ASSI { 89} (( segid " " and resid 1230 and name HD2 )) (( segid " " and resid 1229 and name HB2 )) 3.000 1.200 1.200 peak 89 spectrum 1 weight 0.10000E+01 volume 0.21111E-02 ppm1 3.775 ppm2 2.311 CV 1 OR { 89} (( segid " " and resid 1230 and name HD2 )) (( segid " " and resid 1230 and name HB2 )) OR { 89} (( segid " " and resid 1326 and name HD2 )) (( segid " " and resid 1326 and name HB2 )) ASSI { 92} (( segid " " and resid 1276 and name HG3 )) (( segid " " and resid 1276 and name HE21)) 3.000 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.14321E-02 ppm1 2.518 ppm2 7.440 CV 1 OR { 92} (( segid " " and resid 1276 and name HG2 )) (( segid " " and resid 1276 and name HE21)) OR { 92} (( segid " " and resid 1300 and name HG2 )) (( segid " " and resid 1300 and name HE21)) OR { 92} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1300 and name HE21)) ASSI { 97} (( segid " " and resid 1293 and name HG2 )) (( segid " " and resid 1293 and name HA )) 3.800 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 2.062 ppm2 4.430 CV 1 OR { 97} (( segid " " and resid 1293 and name HG2 )) (( segid " " and resid 1292 and name HA )) ASSI { 98} (( segid " " and resid 1326 and name HG3 )) (( segid " " and resid 1326 and name HD3 )) 2.400 0.700 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.53456E-02 ppm1 1.997 ppm2 3.495 CV 1 OR { 98} (( segid " " and resid 1229 and name HG2 )) (( segid " " and resid 1229 and name HD2 )) OR { 98} (( segid " " and resid 1229 and name HG3 )) (( segid " " and resid 1229 and name HD2 )) OR { 98} (( segid " " and resid 1326 and name HG2 )) (( segid " " and resid 1326 and name HD3 )) ASSI { 104} (( segid " " and resid 1306 and name HA )) ( segid " " and resid 1224 and name HD2%) 3.000 3.000 3.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 4.040 ppm2 0.987 CV 1 OR { 104} (( segid " " and resid 1306 and name HA )) ( segid " " and resid 1302 and name HG1%) ASSI { 105} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1307 and name HA3 )) 3.200 1.300 1.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.29383E-02 ppm1 4.042 ppm2 4.316 CV 1 OR { 105} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1309 and name HA )) OR { 105} (( segid " " and resid 1306 and name HA )) (( segid " " and resid 1310 and name HA )) ASSI { 108} (( segid " " and resid 1334 and name HG2 )) (( segid " " and resid 1315 and name HA )) 2.700 2.700 3.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.26234E-02 ppm1 2.535 ppm2 3.990 CV 1 OR { 108} (( segid " " and resid 1334 and name HG2 )) (( segid " " and resid 1319 and name HA )) ASSI { 113} (( segid " " and resid 1214 and name HG2 )) (( segid " " and resid 1214 and name HA )) 3.000 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.25802E-02 ppm1 1.701 ppm2 4.126 CV 1 OR { 113} (( segid " " and resid 1298 and name HG2 )) (( segid " " and resid 1299 and name HA )) ASSI { 115} (( segid " " and resid 1340 and name HG3 )) (( segid " " and resid 1337 and name H )) 3.400 3.400 2.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 1.673 ppm2 8.203 CV 1 OR { 115} (( segid " " and resid 1340 and name HG3 )) (( segid " " and resid 1338 and name H )) ASSI { 116} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1299 and name H )) 3.200 1.300 1.300 peak 116 spectrum 1 weight 0.10000E+01 volume 0.14167E-02 ppm1 3.798 ppm2 8.224 CV 1 OR { 116} (( segid " " and resid 1298 and name HA )) (( segid " " and resid 1301 and name H )) ASSI { 121} (( segid " " and resid 1242 and name HB3 )) (( segid " " and resid 1241 and name HG3 )) 3.800 1.800 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 1.246 ppm2 1.582 CV 1 OR { 121} (( segid " " and resid 1242 and name HB3 )) (( segid " " and resid 1350 and name HG13)) OR { 121} (( segid " " and resid 1242 and name HB3 )) ( segid " " and resid 1245 and name HB% ) OR { 121} (( segid " " and resid 1242 and name HB3 )) (( segid " " and resid 1350 and name HG12)) ASSI { 123} (( segid " " and resid 1313 and name HB2 )) ( segid " " and resid 1317 and name HD1%) 3.900 1.900 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.89815E-03 ppm1 3.867 ppm2 0.862 CV 1 OR { 123} (( segid " " and resid 1313 and name HB2 )) ( segid " " and resid 1213 and name HD2%) OR { 123} (( segid " " and resid 1313 and name HB2 )) ( segid " " and resid 1316 and name HD2%) OR { 123} (( segid " " and resid 1313 and name HB2 )) ( segid " " and resid 1317 and name HD2%) ASSI { 124} (( segid " " and resid 1306 and name HG3 )) ( segid " " and resid 1224 and name HD1%) 3.000 3.000 3.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 1.815 ppm2 0.822 CV 1 OR { 124} (( segid " " and resid 1306 and name HG3 )) ( segid " " and resid 1282 and name HD1%) ASSI { 125} (( segid " " and resid 1269 and name HG2 )) (( segid " " and resid 1272 and name H )) 3.400 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.16049E-02 ppm1 1.815 ppm2 7.962 CV 1 OR { 125} (( segid " " and resid 1273 and name HG3 )) (( segid " " and resid 1272 and name H )) OR { 125} (( segid " " and resid 1273 and name HG2 )) (( segid " " and resid 1272 and name H )) ASSI { 126} (( segid " " and resid 1333 and name HA )) (( segid " " and resid 1333 and name H )) 3.000 1.100 1.100 peak 126 spectrum 1 weight 0.10000E+01 volume 0.18580E-02 ppm1 4.307 ppm2 8.124 CV 1 OR { 126} (( segid " " and resid 1333 and name HA )) (( segid " " and resid 1337 and name H )) ASSI { 129} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1335 and name HB2 )) 2.800 2.800 3.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.28858E-02 ppm1 3.924 ppm2 2.025 CV 1 OR { 129} (( segid " " and resid 1281 and name HA )) (( segid " " and resid 1283 and name HB3 )) ASSI { 130} (( segid " " and resid 1277 and name HA )) (( segid " " and resid 1276 and name HG2 )) 3.400 1.500 1.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 4.476 ppm2 2.504 CV 1 OR { 130} (( segid " " and resid 1297 and name HA )) (( segid " " and resid 1300 and name HG2 )) OR { 130} (( segid " " and resid 1297 and name HA )) (( segid " " and resid 1300 and name HG3 )) ASSI { 133} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1326 and name HA )) 2.600 0.900 0.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.41759E-02 ppm1 3.004 ppm2 4.457 CV 1 OR { 133} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1326 and name HA )) OR { 133} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1327 and name HA )) ASSI { 180} (( segid " " and resid 1275 and name HA3 )) ( segid " " and resid 1212 and name HB% ) 3.100 1.200 1.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 4.094 ppm2 1.567 CV 1 OR { 180} (( segid " " and resid 1272 and name HA2 )) ( segid " " and resid 1212 and name HB% ) ASSI { 181} (( segid " " and resid 1248 and name HA2 )) ( segid " " and resid 1247 and name HB% ) 3.800 1.800 1.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 3.907 ppm2 1.568 CV 1 OR { 181} (( segid " " and resid 1272 and name HA3 )) ( segid " " and resid 1212 and name HB% ) ASSI { 189} (( segid " " and resid 1275 and name HA2 )) (( segid " " and resid 1216 and name H )) 4.600 2.600 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.37037E-03 ppm1 3.667 ppm2 8.137 CV 1 OR { 189} (( segid " " and resid 1275 and name HA2 )) (( segid " " and resid 1274 and name H )) ASSI { 190} (( segid " " and resid 1275 and name HA2 )) ( segid " " and resid 1278 and name HD% ) 4.000 2.000 2.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.49691E-03 ppm1 3.664 ppm2 7.136 CV 1 OR { 190} (( segid " " and resid 1275 and name HA2 )) ( segid " " and resid 1274 and name HE% ) ASSI { 276} ( segid " " and resid 1350 and name HD1%) ( segid " " and resid 1281 and name HD% ) 3.200 1.300 1.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.54938E-03 ppm1 0.842 ppm2 6.648 CV 1 OR { 276} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1243 and name HD22)) ASSI { 278} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1351 and name H )) 3.100 1.200 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.66973E-03 ppm1 0.841 ppm2 8.236 CV 1 OR { 278} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1242 and name H )) ASSI { 289} (( segid " " and resid 1283 and name HG2 )) (( segid " " and resid 1283 and name HA )) 2.400 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.47438E-02 ppm1 2.208 ppm2 3.813 CV 1 OR { 289} (( segid " " and resid 1350 and name HB )) (( segid " " and resid 1350 and name HA )) ASSI { 301} ( segid " " and resid 1308 and name HD1%) ( segid " " and resid 1281 and name HD% ) 2.900 1.100 1.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 0.954 ppm2 6.654 CV 1 OR { 301} ( segid " " and resid 1350 and name HG2%) (( segid " " and resid 1243 and name HD22)) ASSI { 304} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1354 and name H )) 3.200 1.300 1.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.50000E-03 ppm1 0.842 ppm2 7.751 CV 1 OR { 304} ( segid " " and resid 1350 and name HD1%) (( segid " " and resid 1247 and name H )) ASSI { 321} (( segid " " and resid 1344 and name HA )) (( segid " " and resid 1345 and name H )) 3.100 1.200 1.200 peak 321 spectrum 1 weight 0.10000E+01 volume 0.16018E-02 ppm1 4.497 ppm2 7.923 CV 1 OR { 321} (( segid " " and resid 1218 and name HA )) (( segid " " and resid 1222 and name H )) ASSI { 342} (( segid " " and resid 1279 and name HA )) (( segid " " and resid 1279 and name H )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.24228E-02 ppm1 3.875 ppm2 7.644 CV 1 OR { 342} (( segid " " and resid 1278 and name HA )) (( segid " " and resid 1279 and name H )) ASSI { 391} (( segid " " and resid 1274 and name HB3 )) (( segid " " and resid 1274 and name HB2 )) 1.800 0.400 0.400 peak 391 spectrum 1 weight 0.10000E+01 volume 0.12543E-01 ppm1 3.019 ppm2 3.398 CV 1 OR { 391} (( segid " " and resid 1235 and name HB3 )) (( segid " " and resid 1235 and name HB2 )) ASSI { 408} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1258 and name H )) 3.600 1.600 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 1.381 ppm2 8.160 CV 1 OR { 408} ( segid " " and resid 1339 and name HB% ) (( segid " " and resid 1338 and name H )) ASSI { 414} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1291 and name HE22)) 3.300 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.16882E-02 ppm1 1.392 ppm2 7.167 CV 1 OR { 414} ( segid " " and resid 1238 and name HB% ) ( segid " " and resid 1235 and name HD% ) ASSI { 415} ( segid " " and resid 1339 and name HB% ) (( segid " " and resid 1340 and name H )) 2.300 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.81668E-02 ppm1 1.383 ppm2 7.776 CV 1 OR { 415} ( segid " " and resid 1259 and name HB% ) (( segid " " and resid 1260 and name H )) ASSI { 418} ( segid " " and resid 1339 and name HB% ) (( segid " " and resid 1336 and name HA )) 1.900 0.500 0.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.22885E-01 ppm1 1.386 ppm2 3.996 CV 1 OR { 418} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1235 and name HA )) ASSI { 419} (( segid " " and resid 1238 and name HA )) (( segid " " and resid 1241 and name HD3 )) 3.200 1.300 1.300 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11389E-02 ppm1 4.030 ppm2 3.197 CV 1 OR { 419} (( segid " " and resid 1284 and name HA )) (( segid " " and resid 1241 and name HD3 )) ASSI { 431} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1287 and name HB3 )) 2.800 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.31080E-02 ppm1 1.390 ppm2 2.034 CV 1 OR { 431} ( segid " " and resid 1238 and name HB% ) (( segid " " and resid 1291 and name HB2 )) ASSI { 442} (( segid " " and resid 1336 and name HA )) (( segid " " and resid 1336 and name H )) 2.600 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.40987E-02 ppm1 4.004 ppm2 7.745 CV 1 OR { 442} (( segid " " and resid 1246 and name HA )) (( segid " " and resid 1247 and name H )) ASSI { 451} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1243 and name HB3 )) 3.100 3.100 2.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.11759E-02 ppm1 1.643 ppm2 2.843 CV 1 OR { 451} ( segid " " and resid 1246 and name HB% ) (( segid " " and resid 1250 and name HB2 )) ASSI { 456} (( segid " " and resid 1336 and name HA )) ( segid " " and resid 1257 and name HG1%) 2.600 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.42345E-02 ppm1 4.003 ppm2 0.975 CV 1 OR { 456} (( segid " " and resid 1319 and name HA )) ( segid " " and resid 1322 and name HD2%) ASSI { 464} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1277 and name H )) 3.800 1.800 1.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.81173E-03 ppm1 1.855 ppm2 8.723 CV 1 OR { 464} ( segid " " and resid 1252 and name HB% ) (( segid " " and resid 1255 and name H )) ASSI { 465} (( segid " " and resid 1321 and name HA )) (( segid " " and resid 1321 and name H )) 2.300 0.600 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.97531E-02 ppm1 4.142 ppm2 8.162 CV 1 OR { 465} (( segid " " and resid 1337 and name HA )) (( segid " " and resid 1337 and name H )) ASSI { 499} ( segid " " and resid 1351 and name HG2%) (( segid " " and resid 1352 and name HB2 )) 3.400 1.500 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.23919E-02 ppm1 1.280 ppm2 2.333 CV 1 OR { 499} ( segid " " and resid 1254 and name HG2%) (( segid " " and resid 1255 and name HG3 )) ASSI { 521} (( segid " " and resid 1260 and name HB2 )) (( segid " " and resid 1260 and name HA )) 2.500 0.800 0.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.39599E-02 ppm1 3.884 ppm2 4.093 CV 1 OR { 521} (( segid " " and resid 1279 and name HA )) (( segid " " and resid 1279 and name HB3 )) ASSI { 524} (( segid " " and resid 1260 and name HA )) (( segid " " and resid 1267 and name HB2 )) 3.700 1.700 1.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.97531E-03 ppm1 4.085 ppm2 1.626 CV 1 OR { 524} (( segid " " and resid 1260 and name HA )) (( segid " " and resid 1322 and name HG )) ASSI { 550} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1270 and name H )) 2.900 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.22901E-02 ppm1 4.061 ppm2 8.431 CV 1 OR { 550} (( segid " " and resid 1255 and name HA )) (( segid " " and resid 1259 and name H )) ASSI { 568} (( segid " " and resid 1287 and name HA )) (( segid " " and resid 1287 and name HB2 )) 2.200 0.600 0.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.90001E-02 ppm1 4.163 ppm2 2.131 CV 1 OR { 568} (( segid " " and resid 1244 and name HA )) (( segid " " and resid 1244 and name HB3 )) OR { 568} (( segid " " and resid 1244 and name HA )) (( segid " " and resid 1244 and name HB2 )) ASSI { 579} (( segid " " and resid 1297 and name HA )) (( segid " " and resid 1297 and name H )) 2.500 0.800 0.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.57222E-02 ppm1 4.476 ppm2 7.845 CV 1 OR { 579} (( segid " " and resid 1297 and name HA )) (( segid " " and resid 1300 and name H )) ASSI { 581} (( segid " " and resid 1266 and name HA )) (( segid " " and resid 1270 and name H )) 3.300 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 4.443 ppm2 8.434 CV 1 OR { 581} (( segid " " and resid 1266 and name HA )) (( segid " " and resid 1268 and name H )) ASSI { 590} (( segid " " and resid 1344 and name HA )) (( segid " " and resid 1344 and name HB2 )) 2.300 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.69816E-02 ppm1 4.485 ppm2 2.825 CV 1 OR { 590} (( segid " " and resid 1218 and name HA )) (( segid " " and resid 1218 and name HB2 )) ASSI { 591} (( segid " " and resid 1297 and name HA )) (( segid " " and resid 1297 and name HB3 )) 2.300 0.700 0.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.73428E-02 ppm1 4.479 ppm2 2.790 CV 1 OR { 591} (( segid " " and resid 1210 and name HA )) (( segid " " and resid 1210 and name HB3 )) ASSI { 592} (( segid " " and resid 1266 and name HB2 )) ( segid " " and resid 1259 and name HB% ) 3.500 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 3.317 ppm2 1.390 CV 1 OR { 592} (( segid " " and resid 1266 and name HB2 )) ( segid " " and resid 1263 and name HG2%) ASSI { 626} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1269 and name HA )) 2.500 0.800 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.52376E-02 ppm1 2.006 ppm2 4.076 CV 1 OR { 626} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1269 and name HA )) OR { 626} (( segid " " and resid 1214 and name HB3 )) (( segid " " and resid 1214 and name HA )) ASSI { 629} (( segid " " and resid 1214 and name HA )) (( segid " " and resid 1214 and name HD2 )) 3.500 1.600 1.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 4.072 ppm2 3.267 CV 1 OR { 629} (( segid " " and resid 1214 and name HA )) (( segid " " and resid 1214 and name HD3 )) OR { 629} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1269 and name HD2 )) OR { 629} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1269 and name HD3 )) ASSI { 630} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1269 and name HD2 )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.49660E-02 ppm1 1.974 ppm2 3.271 CV 1 OR { 630} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1269 and name HD3 )) OR { 630} (( segid " " and resid 1214 and name HB2 )) (( segid " " and resid 1214 and name HD2 )) OR { 630} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1269 and name HD2 )) OR { 630} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1269 and name HD3 )) ASSI { 631} (( segid " " and resid 1241 and name HB3 )) (( segid " " and resid 1241 and name HD3 )) 2.800 1.000 1.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.28734E-02 ppm1 1.931 ppm2 3.204 CV 1 OR { 631} (( segid " " and resid 1207 and name HB2 )) (( segid " " and resid 1207 and name HD3 )) OR { 631} (( segid " " and resid 1207 and name HB2 )) (( segid " " and resid 1207 and name HD2 )) OR { 631} (( segid " " and resid 1241 and name HB3 )) (( segid " " and resid 1241 and name HD2 )) ASSI { 632} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1269 and name HB2 )) 2.100 0.500 0.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15136E-01 ppm1 4.061 ppm2 1.975 CV 1 OR { 632} (( segid " " and resid 1221 and name HA )) (( segid " " and resid 1221 and name HB3 )) OR { 632} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1269 and name HB3 )) ASSI { 634} (( segid " " and resid 1269 and name HA )) (( segid " " and resid 1269 and name HG3 )) 2.600 0.900 0.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.33210E-02 ppm1 4.061 ppm2 1.624 CV 1 OR { 634} (( segid " " and resid 1221 and name HA )) (( segid " " and resid 1221 and name HG2 )) ASSI { 637} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1269 and name HG2 )) 2.100 0.600 0.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.10157E-01 ppm1 1.983 ppm2 1.788 CV 1 OR { 637} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HG2 )) OR { 637} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1269 and name HG2 )) ASSI { 638} (( segid " " and resid 1207 and name HB3 )) (( segid " " and resid 1207 and name HG3 )) 2.700 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.35494E-02 ppm1 1.983 ppm2 1.611 CV 1 OR { 638} (( segid " " and resid 1269 and name HB2 )) (( segid " " and resid 1269 and name HG3 )) OR { 638} (( segid " " and resid 1269 and name HB3 )) (( segid " " and resid 1269 and name HG3 )) ASSI { 648} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1269 and name HB3 )) 3.300 1.400 1.400 peak 648 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 1.487 ppm2 1.986 CV 1 OR { 648} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1273 and name HB2 )) OR { 648} ( segid " " and resid 1270 and name HB% ) (( segid " " and resid 1273 and name HB3 )) ASSI { 687} ( segid " " and resid 1343 and name HG2%) (( segid " " and resid 1343 and name HB )) 2.000 0.500 0.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.17957E-01 ppm1 1.272 ppm2 4.196 CV 1 OR { 687} ( segid " " and resid 1280 and name HG2%) (( segid " " and resid 1280 and name HB )) ASSI { 729} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1242 and name HA )) 2.200 0.600 0.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.93088E-02 ppm1 1.245 ppm2 3.940 CV 1 OR { 729} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1281 and name HA )) ASSI { 732} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1242 and name HB2 )) 3.200 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.19784E-02 ppm1 1.244 ppm2 2.030 CV 1 OR { 732} ( segid " " and resid 1284 and name HB% ) (( segid " " and resid 1287 and name HB3 )) ASSI { 751} (( segid " " and resid 1286 and name HB )) ( segid " " and resid 1286 and name HG2%) 2.300 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.73521E-02 ppm1 2.185 ppm2 1.021 CV 1 OR { 751} (( segid " " and resid 1302 and name HB )) ( segid " " and resid 1302 and name HG1%) ASSI { 786} (( segid " " and resid 1261 and name HA )) (( segid " " and resid 1262 and name H )) 2.800 1.000 1.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 4.530 ppm2 7.833 CV 1 OR { 786} (( segid " " and resid 1211 and name HA )) (( segid " " and resid 1212 and name H )) ASSI { 805} (( segid " " and resid 1347 and name HB3 )) (( segid " " and resid 1347 and name HA )) 2.300 0.600 0.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.91914E-02 ppm1 2.883 ppm2 4.512 CV 1 OR { 805} (( segid " " and resid 1211 and name HB3 )) (( segid " " and resid 1211 and name HA )) ASSI { 821} ( segid " " and resid 1215 and name HB% ) (( segid " " and resid 1217 and name H )) 3.800 1.800 1.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.10710E-02 ppm1 1.622 ppm2 8.278 CV 1 OR { 821} ( segid " " and resid 1215 and name HB% ) (( segid " " and resid 1219 and name H )) ASSI { 823} ( segid " " and resid 1215 and name HB% ) (( segid " " and resid 1215 and name H )) 2.000 0.500 0.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.18080E-01 ppm1 1.622 ppm2 8.131 CV 1 OR { 823} ( segid " " and resid 1215 and name HB% ) (( segid " " and resid 1216 and name H )) ASSI { 825} (( segid " " and resid 1219 and name HA )) (( segid " " and resid 1222 and name H )) 3.100 1.200 1.200 peak 825 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 4.261 ppm2 7.926 CV 1 OR { 825} (( segid " " and resid 1219 and name HA )) (( segid " " and resid 1223 and name H )) ASSI { 834} (( segid " " and resid 1247 and name HA )) (( segid " " and resid 1250 and name HB2 )) 2.300 0.700 0.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.63827E-02 ppm1 4.248 ppm2 2.837 CV 1 OR { 834} (( segid " " and resid 1215 and name HA )) (( segid " " and resid 1218 and name HB2 )) ASSI { 836} ( segid " " and resid 1247 and name HB% ) (( segid " " and resid 1250 and name HB2 )) 3.200 1.300 1.300 peak 836 spectrum 1 weight 0.10000E+01 volume 0.31265E-02 ppm1 1.587 ppm2 2.836 CV 1 OR { 836} ( segid " " and resid 1341 and name HB% ) (( segid " " and resid 1344 and name HB2 )) OR { 836} ( segid " " and resid 1247 and name HB% ) (( segid " " and resid 1250 and name HB3 )) ASSI { 837} ( segid " " and resid 1341 and name HB% ) (( segid " " and resid 1344 and name HB3 )) 4.100 2.100 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.70985E-03 ppm1 1.601 ppm2 2.687 CV 1 OR { 837} ( segid " " and resid 1215 and name HB% ) (( segid " " and resid 1218 and name HB3 )) ASSI { 851} (( segid " " and resid 1218 and name HB3 )) (( segid " " and resid 1218 and name HA )) 2.600 0.900 0.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.59506E-02 ppm1 2.680 ppm2 4.491 CV 1 OR { 851} (( segid " " and resid 1344 and name HB3 )) (( segid " " and resid 1344 and name HA )) ASSI { 857} (( segid " " and resid 1210 and name HA )) (( segid " " and resid 1210 and name HB2 )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.69136E-02 ppm1 4.481 ppm2 2.617 CV 1 OR { 857} (( segid " " and resid 1297 and name HA )) (( segid " " and resid 1297 and name HB2 )) ASSI { 858} (( segid " " and resid 1218 and name HB3 )) (( segid " " and resid 1218 and name HB2 )) 1.700 0.400 0.500 peak 858 spectrum 1 weight 0.10000E+01 volume 0.22605E-01 ppm1 2.681 ppm2 2.836 CV 1 OR { 858} (( segid " " and resid 1344 and name HB3 )) (( segid " " and resid 1344 and name HB2 )) ASSI { 954} (( segid " " and resid 1314 and name HA )) (( segid " " and resid 1314 and name HB3 )) 2.600 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.25802E-02 ppm1 3.980 ppm2 1.942 CV 1 OR { 954} (( segid " " and resid 1236 and name HA )) (( segid " " and resid 1239 and name HB3 )) ASSI { 992} (( segid " " and resid 1241 and name HA )) (( segid " " and resid 1241 and name H )) 2.300 0.600 0.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.86046E-02 ppm1 4.109 ppm2 8.089 CV 1 OR { 992} (( segid " " and resid 1348 and name HA )) (( segid " " and resid 1348 and name H )) ASSI { 1029} (( segid " " and resid 1243 and name HB3 )) ( segid " " and resid 1246 and name HB% ) 3.500 1.500 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.15371E-02 ppm1 2.837 ppm2 1.656 CV 1 OR { 1029} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1249 and name HB3 )) ASSI { 1030} (( segid " " and resid 1250 and name HB2 )) ( segid " " and resid 1247 and name HB% ) 3.400 1.500 1.500 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 2.837 ppm2 1.589 CV 1 OR { 1030} (( segid " " and resid 1243 and name HB3 )) ( segid " " and resid 1247 and name HB% ) OR { 1030} (( segid " " and resid 1250 and name HB3 )) ( segid " " and resid 1247 and name HB% ) ASSI { 1073} (( segid " " and resid 1251 and name HB2 )) (( segid " " and resid 1251 and name HG3 )) 2.300 0.600 0.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.64507E-02 ppm1 2.215 ppm2 2.452 CV 1 OR { 1073} (( segid " " and resid 1251 and name HB2 )) (( segid " " and resid 1251 and name HG2 )) OR { 1073} (( segid " " and resid 1329 and name HG2 )) (( segid " " and resid 1329 and name HB2 )) ASSI { 1105} (( segid " " and resid 1256 and name HB2 )) (( segid " " and resid 1256 and name HG )) 2.500 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.35401E-02 ppm1 1.634 ppm2 1.426 CV 1 OR { 1105} (( segid " " and resid 1267 and name HB2 )) (( segid " " and resid 1267 and name HG )) ASSI { 1127} (( segid " " and resid 1267 and name HA )) (( segid " " and resid 1270 and name H )) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.18518E-02 ppm1 3.840 ppm2 8.436 CV 1 OR { 1127} (( segid " " and resid 1267 and name HA )) (( segid " " and resid 1268 and name H )) ASSI { 1171} (( segid " " and resid 1279 and name HB2 )) (( segid " " and resid 1280 and name H )) 3.000 1.100 1.100 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.16605E-02 ppm1 4.171 ppm2 7.834 CV 1 OR { 1171} (( segid " " and resid 1311 and name HA )) (( segid " " and resid 1314 and name H )) ASSI { 1179} (( segid " " and resid 1278 and name HA )) ( segid " " and resid 1278 and name HD% ) 2.800 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.24414E-02 ppm1 3.880 ppm2 7.133 CV 1 OR { 1179} (( segid " " and resid 1279 and name HA )) ( segid " " and resid 1278 and name HD% ) ASSI { 1186} (( segid " " and resid 1303 and name HA )) ( segid " " and resid 1302 and name HG1%) 3.500 1.500 1.500 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.10093E-02 ppm1 4.068 ppm2 1.009 CV 1 OR { 1186} (( segid " " and resid 1271 and name HB3 )) ( segid " " and resid 1209 and name HG1%) ASSI { 1194} ( segid " " and resid 1267 and name HD2%) (( segid " " and resid 1267 and name HG )) 2.100 0.500 0.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.10410E-01 ppm1 0.849 ppm2 1.432 CV 1 OR { 1194} ( segid " " and resid 1282 and name HD1%) (( segid " " and resid 1282 and name HG )) OR { 1194} ( segid " " and resid 1282 and name HD2%) (( segid " " and resid 1282 and name HG )) ASSI { 1226} ( segid " " and resid 1338 and name HB% ) (( segid " " and resid 1341 and name H )) 3.800 1.800 1.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 1.475 ppm2 7.592 CV 1 OR { 1226} ( segid " " and resid 1289 and name HB% ) (( segid " " and resid 1291 and name H )) ASSI { 1239} ( segid " " and resid 1321 and name HB% ) (( segid " " and resid 1321 and name H )) 1.900 0.500 0.500 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.21993E-01 ppm1 1.504 ppm2 8.159 CV 1 OR { 1239} ( segid " " and resid 1337 and name HB% ) (( segid " " and resid 1337 and name H )) OR { 1239} ( segid " " and resid 1337 and name HB% ) (( segid " " and resid 1338 and name H )) ASSI { 1323} (( segid " " and resid 1312 and name HB3 )) ( segid " " and resid 1274 and name HE% ) 3.200 1.300 1.300 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.98764E-03 ppm1 4.075 ppm2 7.125 CV 1 OR { 1323} (( segid " " and resid 1312 and name HB3 )) ( segid " " and resid 1278 and name HD% ) ASSI { 1354} (( segid " " and resid 1312 and name HB2 )) ( segid " " and resid 1274 and name HE% ) 3.200 1.300 1.300 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 3.584 ppm2 7.127 CV 1 OR { 1354} (( segid " " and resid 1312 and name HB2 )) ( segid " " and resid 1278 and name HD% ) ASSI { 1384} (( segid " " and resid 1318 and name HA )) ( segid " " and resid 1335 and name HD1%) 3.800 1.800 1.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 4.211 ppm2 0.819 CV 1 OR { 1384} (( segid " " and resid 1338 and name HA )) ( segid " " and resid 1315 and name HD2%) ASSI { 1393} ( segid " " and resid 1319 and name HB% ) (( segid " " and resid 1316 and name HB2 )) 3.300 3.300 2.700 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.79941E-03 ppm1 1.420 ppm2 2.019 CV 1 OR { 1393} ( segid " " and resid 1319 and name HB% ) (( segid " " and resid 1315 and name HB3 )) ASSI { 1400} (( segid " " and resid 1320 and name HB3 )) (( segid " " and resid 1321 and name H )) 2.600 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.21173E-02 ppm1 2.125 ppm2 8.153 CV 1 OR { 1400} (( segid " " and resid 1306 and name HB3 )) (( segid " " and resid 1307 and name H )) ASSI { 1408} (( segid " " and resid 1306 and name HB3 )) (( segid " " and resid 1306 and name HA )) 2.800 1.000 1.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.28642E-02 ppm1 2.126 ppm2 4.036 CV 1 OR { 1408} (( segid " " and resid 1320 and name HB3 )) (( segid " " and resid 1317 and name HA )) ASSI { 1410} (( segid " " and resid 1320 and name HB2 )) (( segid " " and resid 1317 and name HA )) 3.200 1.300 1.300 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.14290E-02 ppm1 1.799 ppm2 4.028 CV 1 OR { 1410} (( segid " " and resid 1288 and name HB3 )) (( segid " " and resid 1238 and name HA )) ASSI { 1418} (( segid " " and resid 1320 and name HA )) (( segid " " and resid 1320 and name HB3 )) 2.600 0.900 0.900 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.51419E-02 ppm1 3.811 ppm2 2.109 CV 1 OR { 1418} (( segid " " and resid 1283 and name HA )) (( segid " " and resid 1283 and name HB2 )) ASSI { 1420} (( segid " " and resid 1320 and name HB3 )) (( segid " " and resid 1320 and name HB2 )) 2.000 0.500 0.500 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.53734E-02 ppm1 2.122 ppm2 1.794 CV 1 OR { 1420} (( segid " " and resid 1306 and name HB3 )) (( segid " " and resid 1306 and name HG3 )) ASSI { 1423} (( segid " " and resid 1320 and name HB2 )) (( segid " " and resid 1320 and name HG2 )) 3.000 1.100 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.21265E-02 ppm1 1.799 ppm2 1.381 CV 1 OR { 1423} (( segid " " and resid 1288 and name HB3 )) ( segid " " and resid 1238 and name HB% ) OR { 1423} (( segid " " and resid 1288 and name HB2 )) ( segid " " and resid 1238 and name HB% ) ASSI { 1425} (( segid " " and resid 1320 and name HB2 )) ( segid " " and resid 1209 and name HG2%) 3.000 1.100 1.100 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.15988E-02 ppm1 1.797 ppm2 0.938 CV 1 OR { 1425} (( segid " " and resid 1320 and name HB2 )) ( segid " " and resid 1213 and name HD1%) ASSI { 1426} (( segid " " and resid 1320 and name HB3 )) ( segid " " and resid 1209 and name HG2%) 3.700 1.700 1.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.11389E-02 ppm1 2.121 ppm2 0.941 CV 1 OR { 1426} (( segid " " and resid 1320 and name HB3 )) ( segid " " and resid 1213 and name HD1%) ASSI { 1427} (( segid " " and resid 1283 and name HA )) ( segid " " and resid 1223 and name HD1%) 2.400 0.700 0.700 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.47098E-02 ppm1 3.812 ppm2 0.934 CV 1 OR { 1427} (( segid " " and resid 1320 and name HA )) ( segid " " and resid 1209 and name HG2%) ASSI { 1473} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1332 and name H )) 2.700 0.900 0.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.24228E-02 ppm1 3.922 ppm2 8.109 CV 1 OR { 1473} (( segid " " and resid 1332 and name HA )) (( segid " " and resid 1333 and name H )) ASSI { 1474} (( segid " " and resid 1332 and name HB2 )) (( segid " " and resid 1332 and name H )) 2.500 0.800 0.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 1.970 ppm2 8.112 CV 1 OR { 1474} (( segid " " and resid 1332 and name HB2 )) (( segid " " and resid 1333 and name H )) ASSI { 1480} (( segid " " and resid 1314 and name HB3 )) (( segid " " and resid 1314 and name HA )) 2.500 0.800 0.800 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.40709E-02 ppm1 1.952 ppm2 3.945 CV 1 OR { 1480} (( segid " " and resid 1264 and name HB3 )) (( segid " " and resid 1264 and name HD3 )) ASSI { 1485} (( segid " " and resid 1230 and name HB3 )) (( segid " " and resid 1230 and name HB2 )) 1.800 0.400 0.400 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.13852E-01 ppm1 1.963 ppm2 2.293 CV 1 OR { 1485} (( segid " " and resid 1264 and name HB2 )) (( segid " " and resid 1264 and name HG2 )) ASSI { 1500} (( segid " " and resid 1213 and name HA )) (( segid " " and resid 1216 and name H )) 2.900 1.100 1.100 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 3.902 ppm2 8.134 CV 1 OR { 1500} (( segid " " and resid 1213 and name HA )) (( segid " " and resid 1215 and name H )) ASSI { 1506} (( segid " " and resid 1335 and name HA )) (( segid " " and resid 1335 and name HB3 )) 2.300 0.700 0.700 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.75707E-02 ppm1 3.916 ppm2 1.517 CV 1 OR { 1506} (( segid " " and resid 1335 and name HA )) ( segid " " and resid 1318 and name HB% ) ASSI { 1510} (( segid " " and resid 1335 and name HB2 )) ( segid " " and resid 1335 and name HD1%) 2.700 0.900 0.900 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.23642E-02 ppm1 2.033 ppm2 0.824 CV 1 OR { 1510} (( segid " " and resid 1316 and name HB2 )) ( segid " " and resid 1316 and name HD2%) ASSI { 1516} (( segid " " and resid 1340 and name HB3 )) (( segid " " and resid 1340 and name HA )) 2.200 0.600 0.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.11867E-01 ppm1 1.979 ppm2 4.136 CV 1 OR { 1516} (( segid " " and resid 1273 and name HB2 )) (( segid " " and resid 1273 and name HA )) OR { 1516} (( segid " " and resid 1273 and name HB3 )) (( segid " " and resid 1273 and name HA )) OR { 1516} (( segid " " and resid 1340 and name HB2 )) (( segid " " and resid 1340 and name HA )) ASSI { 1521} (( segid " " and resid 1340 and name HB2 )) ( segid " " and resid 1337 and name HB% ) 3.000 1.100 1.100 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.77469E-03 ppm1 1.977 ppm2 1.490 CV 1 OR { 1521} (( segid " " and resid 1273 and name HB2 )) ( segid " " and resid 1270 and name HB% ) OR { 1521} (( segid " " and resid 1273 and name HB3 )) ( segid " " and resid 1270 and name HB% ) ASSI { 1577} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1250 and name H )) 2.900 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.32593E-02 ppm1 0.543 ppm2 8.507 CV 1 OR { 1577} ( segid " " and resid 1346 and name HD1%) (( segid " " and resid 1346 and name H )) ASSI { 1607} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1346 and name H )) 3.200 1.300 1.300 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.26296E-02 ppm1 0.879 ppm2 8.505 CV 1 OR { 1607} ( segid " " and resid 1346 and name HG2%) (( segid " " and resid 1250 and name H )) ASSI { 1634} (( segid " " and resid 1347 and name HA )) (( segid " " and resid 1347 and name H )) 2.500 0.800 0.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.49722E-02 ppm1 4.499 ppm2 8.411 CV 1 OR { 1634} (( segid " " and resid 1347 and name HA )) (( segid " " and resid 1350 and name H )) ASSI { 1702} (( segid " " and resid 1353 and name HB3 )) ( segid " " and resid 1350 and name HD1%) 3.200 3.200 2.800 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.51234E-03 ppm1 3.019 ppm2 0.839 CV 1 OR { 1702} (( segid " " and resid 1353 and name HB3 )) ( segid " " and resid 1242 and name HD2%) ASSI { 1703} (( segid " " and resid 1353 and name HB2 )) ( segid " " and resid 1350 and name HD1%) 3.200 3.200 2.800 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.55864E-03 ppm1 3.066 ppm2 0.838 CV 1 OR { 1703} (( segid " " and resid 1353 and name HB2 )) ( segid " " and resid 1242 and name HD2%) ASSI { 1710} (( segid " " and resid 1354 and name HA )) (( segid " " and resid 1354 and name HB )) 2.300 0.600 0.600 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.75091E-02 ppm1 4.448 ppm2 4.326 CV 1 OR { 1710} (( segid " " and resid 1309 and name HB2 )) (( segid " " and resid 1309 and name HA )) ASSI { 1751} (( segid " " and resid 1216 and name HA )) (( segid " " and resid 1217 and name H )) 3.100 1.200 1.200 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.13735E-02 ppm1 3.782 ppm2 8.274 CV 1 OR { 1751} (( segid " " and resid 1216 and name HA )) (( segid " " and resid 1219 and name H )) ASSI { 1754} (( segid " " and resid 1216 and name HB )) (( segid " " and resid 1216 and name H )) 2.500 0.800 0.800 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.36172E-02 ppm1 1.945 ppm2 8.119 CV 1 OR { 1754} (( segid " " and resid 1264 and name HB2 )) (( segid " " and resid 1265 and name H )) ASSI { 1765} ( segid " " and resid 1316 and name HD2%) ( segid " " and resid 1274 and name HE% ) 2.600 0.800 0.800 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.44722E-02 ppm1 0.793 ppm2 7.130 CV 1 OR { 1765} ( segid " " and resid 1216 and name HG2%) ( segid " " and resid 1278 and name HD% ) ASSI { 1824} ( segid " " and resid 1224 and name HD1%) (( segid " " and resid 1224 and name HB2 )) 2.800 1.000 1.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.38580E-02 ppm1 0.839 ppm2 2.009 CV 1 OR { 1824} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1316 and name HB2 )) ASSI { 1825} ( segid " " and resid 1316 and name HD2%) (( segid " " and resid 1316 and name HG )) 2.200 0.600 0.600 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.89658E-02 ppm1 0.819 ppm2 1.589 CV 1 OR { 1825} ( segid " " and resid 1224 and name HD1%) (( segid " " and resid 1224 and name HB3 )) ASSI { 1840} (( segid " " and resid 1322 and name HB2 )) (( segid " " and resid 1319 and name HA )) 3.300 1.300 1.300 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.17592E-02 ppm1 1.368 ppm2 3.984 CV 1 OR { 1840} (( segid " " and resid 1331 and name HB3 )) (( segid " " and resid 1328 and name HB3 )) ASSI { 1855} (( segid " " and resid 1334 and name HB2 )) (( segid " " and resid 1334 and name HA )) 2.300 0.600 0.600 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.73701E-02 ppm1 2.138 ppm2 4.142 CV 1 OR { 1855} (( segid " " and resid 1287 and name HB2 )) (( segid " " and resid 1287 and name HA )) OR { 1855} (( segid " " and resid 1334 and name HB3 )) (( segid " " and resid 1334 and name HA )) ASSI { 1857} (( segid " " and resid 1334 and name HB3 )) (( segid " " and resid 1331 and name HA )) 2.400 0.700 0.700 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.56543E-02 ppm1 2.096 ppm2 4.123 CV 1 OR { 1857} (( segid " " and resid 1296 and name HB3 )) (( segid " " and resid 1296 and name HA )) ASSI { 1880} (( segid " " and resid 1243 and name HB3 )) (( segid " " and resid 1247 and name H )) 4.000 2.000 2.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.53086E-03 ppm1 2.836 ppm2 7.750 CV 1 OR { 1880} (( segid " " and resid 1250 and name HB2 )) (( segid " " and resid 1247 and name H )) ASSI { 1894} ( segid " " and resid 1242 and name HD1%) ( segid " " and resid 1242 and name HD2%) 2.100 0.600 0.600 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.11663E-01 ppm1 0.571 ppm2 0.835 CV 1 OR { 1894} ( segid " " and resid 1242 and name HD1%) ( segid " " and resid 1350 and name HD1%) ASSI { 1895} ( segid " " and resid 1242 and name HD1%) (( segid " " and resid 1242 and name HB3 )) 2.400 0.700 0.700 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.77591E-02 ppm1 0.571 ppm2 1.244 CV 1 OR { 1895} ( segid " " and resid 1242 and name HD1%) ( segid " " and resid 1284 and name HB% ) ASSI { 1897} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1242 and name HB3 )) 2.800 2.800 3.200 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.35555E-02 ppm1 0.829 ppm2 1.245 CV 1 OR { 1897} ( segid " " and resid 1242 and name HD2%) ( segid " " and resid 1284 and name HB% ) ASSI { 1923} (( segid " " and resid 1312 and name HB3 )) ( segid " " and resid 1342 and name HG1%) 3.400 3.400 2.600 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 4.051 ppm2 0.984 CV 1 OR { 1923} (( segid " " and resid 1220 and name HB3 )) ( segid " " and resid 1224 and name HD2%) ASSI { 1946} (( segid " " and resid 1249 and name HB3 )) (( segid " " and resid 1281 and name HB3 )) 4.300 2.300 1.700 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.58640E-03 ppm1 1.657 ppm2 2.837 CV 1 OR { 1946} (( segid " " and resid 1249 and name HB3 )) (( segid " " and resid 1250 and name HB2 )) ASSI { 1961} ( segid " " and resid 1249 and name HD1%) ( segid " " and resid 1278 and name HD% ) 2.500 0.800 0.800 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.47469E-02 ppm1 0.381 ppm2 7.128 CV 1 OR { 1961} ( segid " " and resid 1249 and name HD1%) ( segid " " and resid 1274 and name HE% ) ASSI { 1983} (( segid " " and resid 1315 and name HB2 )) (( segid " " and resid 1312 and name HA )) 3.900 1.900 1.900 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.81173E-03 ppm1 1.204 ppm2 4.217 CV 1 OR { 1983} (( segid " " and resid 1315 and name HB2 )) (( segid " " and resid 1338 and name HA )) ASSI { 2041} (( segid " " and resid 1257 and name HA )) ( segid " " and resid 1335 and name HD2%) 2.300 0.700 0.700 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.68578E-02 ppm1 3.414 ppm2 0.895 CV 1 OR { 2041} (( segid " " and resid 1257 and name HA )) ( segid " " and resid 1257 and name HG2%) ASSI { 2043} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1331 and name H )) 3.800 1.800 1.800 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.13364E-02 ppm1 1.007 ppm2 7.980 CV 1 OR { 2043} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1323 and name H )) ASSI { 2050} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1322 and name HG )) 2.200 0.600 0.600 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.52345E-02 ppm1 1.006 ppm2 1.629 CV 1 OR { 2050} ( segid " " and resid 1322 and name HD1%) (( segid " " and resid 1332 and name HD2 )) ASSI { 2056} (( segid " " and resid 1331 and name HA )) (( segid " " and resid 1331 and name HB3 )) 2.600 0.900 0.900 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.29228E-02 ppm1 4.125 ppm2 1.374 CV 1 OR { 2056} (( segid " " and resid 1249 and name HA )) (( segid " " and resid 1249 and name HG )) ASSI { 2104} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1275 and name H )) 3.600 1.600 1.600 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 0.596 ppm2 8.484 CV 1 OR { 2104} ( segid " " and resid 1256 and name HD1%) (( segid " " and resid 1271 and name H )) ASSI { 2119} ( segid " " and resid 1256 and name HD1%) ( segid " " and resid 1315 and name HD2%) 2.100 0.500 0.500 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.12679E-01 ppm1 0.596 ppm2 0.812 CV 1 OR { 2119} ( segid " " and resid 1256 and name HD1%) ( segid " " and resid 1316 and name HD2%) ASSI { 2127} ( segid " " and resid 1209 and name HG1%) (( segid " " and resid 1206 and name HA )) 2.600 0.900 0.900 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.52222E-02 ppm1 0.999 ppm2 4.066 CV 1 OR { 2127} ( segid " " and resid 1209 and name HG1%) (( segid " " and resid 1271 and name HB3 )) ASSI { 2142} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1340 and name H )) 3.600 1.600 1.600 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 0.974 ppm2 7.764 CV 1 OR { 2142} ( segid " " and resid 1257 and name HG1%) (( segid " " and resid 1260 and name H )) ASSI { 2154} ( segid " " and resid 1257 and name HG2%) (( segid " " and resid 1260 and name H )) 3.900 1.900 1.900 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 0.909 ppm2 7.764 CV 1 OR { 2154} ( segid " " and resid 1257 and name HG2%) (( segid " " and resid 1340 and name H )) ASSI { 2171} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1286 and name HA )) 3.500 1.500 1.500 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.10710E-02 ppm1 1.075 ppm2 3.590 CV 1 OR { 2171} ( segid " " and resid 1302 and name HG2%) (( segid " " and resid 1301 and name HA )) ASSI { 2197} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1346 and name HB )) 3.800 1.800 1.800 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.12469E-02 ppm1 0.990 ppm2 2.030 CV 1 OR { 2197} ( segid " " and resid 1342 and name HG1%) (( segid " " and resid 1315 and name HB3 )) ASSI { 2244} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1319 and name HA )) 2.100 0.600 0.600 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.12034E-01 ppm1 0.808 ppm2 3.971 CV 1 OR { 2244} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1260 and name HB3 )) ASSI { 2246} ( segid " " and resid 1242 and name HD2%) (( segid " " and resid 1242 and name HB2 )) 2.400 0.700 0.700 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.42222E-02 ppm1 0.815 ppm2 2.039 CV 1 OR { 2246} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1335 and name HB2 )) ASSI { 2248} ( segid " " and resid 1335 and name HD1%) (( segid " " and resid 1335 and name HB3 )) 2.200 0.600 0.600 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.10815E-01 ppm1 0.808 ppm2 1.514 CV 1 OR { 2248} ( segid " " and resid 1335 and name HD1%) ( segid " " and resid 1318 and name HB% ) ASSI { 2252} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1216 and name H )) 3.800 1.800 1.800 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 0.881 ppm2 8.132 CV 1 OR { 2252} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1215 and name H )) ASSI { 2257} ( segid " " and resid 1213 and name HD2%) (( segid " " and resid 1213 and name HA )) 2.300 0.600 0.600 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.86267E-02 ppm1 0.881 ppm2 3.908 CV 1 OR { 2257} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1260 and name HB2 )) OR { 2257} ( segid " " and resid 1335 and name HD2%) (( segid " " and resid 1335 and name HA )) ASSI { 2285} (( segid " " and resid 1213 and name HG )) ( segid " " and resid 1213 and name HD1%) 2.300 0.700 0.700 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.78022E-02 ppm1 1.592 ppm2 0.941 CV 1 OR { 2285} (( segid " " and resid 1350 and name HG12)) ( segid " " and resid 1350 and name HG2%) ASSI { 2288} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1223 and name HG )) 2.100 0.600 0.600 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.96141E-02 ppm1 0.931 ppm2 1.750 CV 1 OR { 2288} ( segid " " and resid 1223 and name HD1%) ( segid " " and resid 1219 and name HB% ) ASSI { 2352} (( segid " " and resid 1326 and name HB2 )) (( segid " " and resid 1326 and name HB3 )) 1.800 0.400 0.400 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.21849E-01 ppm1 2.281 ppm2 1.981 CV 1 OR { 2352} (( segid " " and resid 1326 and name HB2 )) (( segid " " and resid 1326 and name HG2 )) OR { 2352} (( segid " " and resid 1326 and name HB2 )) (( segid " " and resid 1326 and name HG3 )) OR { 2352} (( segid " " and resid 1230 and name HB2 )) (( segid " " and resid 1230 and name HG2 )) ASSI { 2391} ( segid " " and resid 1256 and name HD2%) (( segid " " and resid 1256 and name HG )) 2.100 0.600 0.600 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.99351E-02 ppm1 0.701 ppm2 1.429 CV 1 OR { 2391} ( segid " " and resid 1256 and name HD2%) ( segid " " and resid 1319 and name HB% ) ASSI { 2398} (( segid " " and resid 1300 and name HA )) (( segid " " and resid 1300 and name HB2 )) 2.300 0.700 0.700 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.73765E-02 ppm1 4.214 ppm2 2.286 CV 1 OR { 2398} (( segid " " and resid 1276 and name HA )) (( segid " " and resid 1276 and name HB3 )) ASSI { 2406} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1305 and name H )) 3.200 1.200 1.200 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.34999E-02 ppm1 0.734 ppm2 8.882 CV 1 OR { 2406} ( segid " " and resid 1305 and name HD2%) (( segid " " and resid 1285 and name H )) ASSI { 2428} (( segid " " and resid 1305 and name HG )) ( segid " " and resid 1349 and name HD2%) 3.900 1.900 1.900 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.35802E-03 ppm1 2.098 ppm2 1.067 CV 1 OR { 2428} (( segid " " and resid 1305 and name HG )) ( segid " " and resid 1308 and name HG2%) ASSI { 2432} ( segid " " and resid 1305 and name HD2%) ( segid " " and resid 1349 and name HD1%) 2.400 0.700 0.700 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.87157E-02 ppm1 0.734 ppm2 1.060 CV 1 OR { 2432} ( segid " " and resid 1305 and name HD2%) ( segid " " and resid 1308 and name HG2%) ASSI { 2455} (( segid " " and resid 1331 and name HB3 )) (( segid " " and resid 1331 and name H )) 3.900 1.900 1.900 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 1.371 ppm2 7.968 CV 1 OR { 2455} (( segid " " and resid 1322 and name HB2 )) (( segid " " and resid 1323 and name H )) ASSI { 2459} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1328 and name H )) 3.200 1.200 1.200 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.18642E-02 ppm1 1.050 ppm2 7.439 CV 1 OR { 2459} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1325 and name H )) ASSI { 2470} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1331 and name HB3 )) 2.600 0.800 0.800 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.47592E-02 ppm1 1.051 ppm2 1.376 CV 1 OR { 2470} ( segid " " and resid 1331 and name HD2%) (( segid " " and resid 1322 and name HB2 )) ASSI { 2480} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1330 and name H )) 3.400 1.400 1.400 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.86727E-03 ppm1 4.550 ppm2 7.966 CV 1 OR { 2480} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1331 and name H )) ASSI { 2481} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1333 and name H )) 3.200 1.300 1.300 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.12006E-02 ppm1 4.545 ppm2 8.114 CV 1 OR { 2481} (( segid " " and resid 1330 and name HA )) (( segid " " and resid 1332 and name H )) ASSI { 2483} (( segid " " and resid 1221 and name HB2 )) (( segid " " and resid 1221 and name HE3 )) 3.700 1.700 1.700 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 1.970 ppm2 3.000 CV 1 OR { 2483} (( segid " " and resid 1221 and name HB3 )) (( segid " " and resid 1221 and name HE3 )) OR { 2483} (( segid " " and resid 1221 and name HB3 )) (( segid " " and resid 1221 and name HE2 )) OR { 2483} (( segid " " and resid 1332 and name HB2 )) (( segid " " and resid 1332 and name HE3 )) OR { 2483} (( segid " " and resid 1332 and name HB2 )) (( segid " " and resid 1332 and name HE2 )) ASSI { 2538} (( segid " " and resid 1320 and name HE3 )) (( segid " " and resid 1320 and name HB3 )) 3.500 3.500 2.500 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.85494E-03 ppm1 2.860 ppm2 2.120 CV 1 OR { 2538} (( segid " " and resid 1306 and name HE2 )) (( segid " " and resid 1306 and name HB3 )) OR { 2538} (( segid " " and resid 1306 and name HE3 )) (( segid " " and resid 1306 and name HB3 )) ASSI { 2569} (( segid " " and resid 1210 and name HB2 )) ( segid " " and resid 1209 and name HG2%) 4.000 2.000 2.000 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.38580E-03 ppm1 2.612 ppm2 0.943 CV 1 OR { 2569} (( segid " " and resid 1210 and name HB2 )) ( segid " " and resid 1213 and name HD1%) ASSI { 2630} (( segid " " and resid 1330 and name HB3 )) (( segid " " and resid 1330 and name H )) 3.400 1.500 1.500 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.13735E-02 ppm1 2.762 ppm2 7.965 CV 1 OR { 2630} (( segid " " and resid 1330 and name HB3 )) (( segid " " and resid 1331 and name H )) ASSI { 2631} (( segid " " and resid 1330 and name HB2 )) (( segid " " and resid 1330 and name H )) 2.900 1.100 1.100 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.14845E-02 ppm1 2.693 ppm2 7.966 CV 1 OR { 2631} (( segid " " and resid 1330 and name HB2 )) (( segid " " and resid 1331 and name H )) ASSI { 2644} (( segid " " and resid 1244 and name HB2 )) (( segid " " and resid 1244 and name HG3 )) 2.200 0.600 0.600 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.10901E-01 ppm1 2.128 ppm2 2.290 CV 1 OR { 2644} (( segid " " and resid 1237 and name HB2 )) (( segid " " and resid 1237 and name HG2 )) OR { 2644} (( segid " " and resid 1237 and name HB2 )) (( segid " " and resid 1237 and name HG3 )) OR { 2644} (( segid " " and resid 1244 and name HB3 )) (( segid " " and resid 1244 and name HG3 )) ASSI { 2648} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1273 and name H )) 2.700 0.900 0.900 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.34753E-02 ppm1 4.153 ppm2 7.827 CV 1 OR { 2648} (( segid " " and resid 1334 and name HA )) (( segid " " and resid 1335 and name H )) ASSI { 2649} (( segid " " and resid 1287 and name HA )) (( segid " " and resid 1288 and name H )) 3.000 1.200 1.200 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 4.163 ppm2 7.752 CV 1 OR { 2649} (( segid " " and resid 1244 and name HA )) (( segid " " and resid 1247 and name H )) ASSI { 2684} (( segid " " and resid 1283 and name HG3 )) (( segid " " and resid 1283 and name HB2 )) 2.500 0.800 0.800 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.45617E-02 ppm1 2.461 ppm2 2.091 CV 1 OR { 2684} (( segid " " and resid 1296 and name HG3 )) (( segid " " and resid 1296 and name HB3 )) ASSI { 2697} (( segid " " and resid 1237 and name HG3 )) (( segid " " and resid 1237 and name HB3 )) 2.400 0.700 0.700 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.71543E-02 ppm1 2.285 ppm2 1.981 CV 1 OR { 2697} (( segid " " and resid 1237 and name HG2 )) (( segid " " and resid 1237 and name HB3 )) OR { 2697} (( segid " " and resid 1296 and name HG2 )) (( segid " " and resid 1296 and name HB2 )) ASSI { 2716} (( segid " " and resid 1326 and name HD2 )) (( segid " " and resid 1326 and name HG2 )) 2.200 0.600 0.600 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.84290E-02 ppm1 3.769 ppm2 1.992 CV 1 OR { 2716} (( segid " " and resid 1230 and name HD2 )) (( segid " " and resid 1230 and name HG2 )) OR { 2716} (( segid " " and resid 1326 and name HD2 )) (( segid " " and resid 1326 and name HG3 )) OR { 2716} (( segid " " and resid 1230 and name HD2 )) (( segid " " and resid 1230 and name HG3 )) ASSI { 2720} (( segid " " and resid 1230 and name HD2 )) (( segid " " and resid 1230 and name HA )) 3.600 1.600 1.600 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.97223E-03 ppm1 3.766 ppm2 4.505 CV 1 OR { 2720} (( segid " " and resid 1326 and name HD2 )) (( segid " " and resid 1326 and name HA )) ASSI { 2760} (( segid " " and resid 1203 and name HG2 )) (( segid " " and resid 1203 and name HD3 )) 2.800 1.000 1.000 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.47314E-02 ppm1 1.711 ppm2 3.797 CV 1 OR { 2760} (( segid " " and resid 1298 and name HG2 )) (( segid " " and resid 1298 and name HA )) ASSI { 2777} (( segid " " and resid 1230 and name HG3 )) (( segid " " and resid 1230 and name HA )) 3.100 1.200 1.200 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.36265E-02 ppm1 1.994 ppm2 4.505 CV 1 OR { 2777} (( segid " " and resid 1326 and name HG2 )) (( segid " " and resid 1326 and name HA )) OR { 2777} (( segid " " and resid 1230 and name HG2 )) (( segid " " and resid 1230 and name HA )) OR { 2777} (( segid " " and resid 1326 and name HG3 )) (( segid " " and resid 1326 and name HA )) ASSI { 2809} (( segid " " and resid 1300 and name HG3 )) (( segid " " and resid 1300 and name HB2 )) 2.300 0.700 0.700 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.79906E-02 ppm1 2.522 ppm2 2.269 CV 1 OR { 2809} (( segid " " and resid 1348 and name HG2 )) (( segid " " and resid 1348 and name HB2 )) OR { 2809} (( segid " " and resid 1300 and name HG2 )) (( segid " " and resid 1300 and name HB2 )) ASSI { 2822} (( segid " " and resid 1310 and name HG2 )) (( segid " " and resid 1310 and name HA )) 2.700 0.900 0.900 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.33210E-02 ppm1 2.680 ppm2 4.334 CV 1 OR { 2822} (( segid " " and resid 1352 and name HG3 )) (( segid " " and resid 1352 and name HA )) ASSI { 2824} (( segid " " and resid 1310 and name HG3 )) (( segid " " and resid 1310 and name HA )) 2.800 1.000 1.000 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.28302E-02 ppm1 2.784 ppm2 4.333 CV 1 OR { 2824} (( segid " " and resid 1352 and name HG2 )) (( segid " " and resid 1352 and name HA )) ASSI { 2827} (( segid " " and resid 1310 and name HG2 )) (( segid " " and resid 1310 and name HG3 )) 1.500 0.300 0.700 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.37833E-01 ppm1 2.682 ppm2 2.787 CV 1 OR { 2827} (( segid " " and resid 1352 and name HG3 )) (( segid " " and resid 1352 and name HG2 )) ASSI { 2877} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1273 and name HG3 )) 2.600 0.900 0.900 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.41419E-02 ppm1 4.157 ppm2 1.769 CV 1 OR { 2877} (( segid " " and resid 1273 and name HA )) (( segid " " and resid 1273 and name HG2 )) OR { 2877} (( segid " " and resid 1222 and name HA )) (( segid " " and resid 1222 and name HG2 )) ASSI { 2922} (( segid " " and resid 1236 and name HB3 )) (( segid " " and resid 1236 and name HB2 )) 1.700 0.400 0.500 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.19253E-01 ppm1 2.088 ppm2 2.190 CV 1 OR { 2922} (( segid " " and resid 1329 and name HG3 )) (( segid " " and resid 1329 and name HG2 )) ASSI { 2955} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1332 and name HD2 )) 2.300 0.600 0.600 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.61634E-02 ppm1 3.004 ppm2 1.623 CV 1 OR { 2955} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1332 and name HD2 )) OR { 2955} (( segid " " and resid 1221 and name HE3 )) (( segid " " and resid 1221 and name HG2 )) ASSI { 2958} (( segid " " and resid 1221 and name HE2 )) (( segid " " and resid 1221 and name HB2 )) 3.400 1.400 1.400 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.28765E-02 ppm1 3.005 ppm2 1.956 CV 1 OR { 2958} (( segid " " and resid 1332 and name HE3 )) (( segid " " and resid 1332 and name HB2 )) OR { 2958} (( segid " " and resid 1332 and name HE2 )) (( segid " " and resid 1332 and name HB2 )) ASSI { 2968} (( segid " " and resid 1320 and name HD3 )) ( segid " " and resid 1213 and name HD1%) 2.900 1.100 1.100 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.17840E-02 ppm1 1.624 ppm2 0.949 CV 1 OR { 2968} (( segid " " and resid 1320 and name HD3 )) ( segid " " and resid 1209 and name HG2%) ASSI { 2969} (( segid " " and resid 1320 and name HD2 )) ( segid " " and resid 1213 and name HD1%) 3.400 1.400 1.400 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.15371E-02 ppm1 1.559 ppm2 0.945 CV 1 OR { 2969} (( segid " " and resid 1320 and name HD2 )) ( segid " " and resid 1209 and name HG2%) ASSI { 3026} (( segid " " and resid 1269 and name HD2 )) (( segid " " and resid 1269 and name HB2 )) 2.300 0.700 0.700 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.96077E-02 ppm1 3.272 ppm2 1.981 CV 1 OR { 3026} (( segid " " and resid 1273 and name HD3 )) (( segid " " and resid 1273 and name HB2 )) OR { 3026} (( segid " " and resid 1340 and name HD2 )) (( segid " " and resid 1340 and name HB3 )) OR { 3026} (( segid " " and resid 1269 and name HD3 )) (( segid " " and resid 1269 and name HB3 )) OR { 3026} (( segid " " and resid 1269 and name HD2 )) (( segid " " and resid 1269 and name HB3 )) OR { 3026} (( segid " " and resid 1273 and name HD2 )) (( segid " " and resid 1273 and name HB2 )) OR { 3026} (( segid " " and resid 1269 and name HD3 )) (( segid " " and resid 1269 and name HB2 )) OR { 3026} (( segid " " and resid 1273 and name HD2 )) (( segid " " and resid 1273 and name HB3 )) OR { 3026} (( segid " " and resid 1273 and name HD3 )) (( segid " " and resid 1273 and name HB3 )) OR { 3026} (( segid " " and resid 1340 and name HD3 )) (( segid " " and resid 1340 and name HB3 )) ASSI { 3027} (( segid " " and resid 1340 and name HD3 )) (( segid " " and resid 1340 and name HG2 )) 2.000 0.500 0.500 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.15161E-01 ppm1 3.267 ppm2 1.780 CV 1 OR { 3027} (( segid " " and resid 1273 and name HD2 )) (( segid " " and resid 1273 and name HG2 )) OR { 3027} (( segid " " and resid 1273 and name HD3 )) (( segid " " and resid 1273 and name HG3 )) OR { 3027} (( segid " " and resid 1273 and name HD3 )) (( segid " " and resid 1273 and name HG2 )) OR { 3027} (( segid " " and resid 1273 and name HD2 )) (( segid " " and resid 1273 and name HG3 )) ASSI { 3028} (( segid " " and resid 1214 and name HD3 )) (( segid " " and resid 1214 and name HG2 )) 2.100 0.600 0.600 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.12892E-01 ppm1 3.258 ppm2 1.687 CV 1 OR { 3028} (( segid " " and resid 1340 and name HD2 )) (( segid " " and resid 1340 and name HG3 )) OR { 3028} (( segid " " and resid 1214 and name HD2 )) (( segid " " and resid 1214 and name HG2 )) OR { 3028} (( segid " " and resid 1340 and name HD3 )) (( segid " " and resid 1340 and name HG3 )) ASSI { 3046} (( segid " " and resid 1241 and name HD3 )) (( segid " " and resid 1241 and name HB3 )) 2.400 0.700 0.700 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.63949E-02 ppm1 3.205 ppm2 1.937 CV 1 OR { 3046} (( segid " " and resid 1222 and name HD3 )) (( segid " " and resid 1222 and name HB2 )) OR { 3046} (( segid " " and resid 1207 and name HD3 )) (( segid " " and resid 1207 and name HB2 )) OR { 3046} (( segid " " and resid 1241 and name HD2 )) (( segid " " and resid 1241 and name HB3 )) ASSI { 3048} (( segid " " and resid 1241 and name HD2 )) (( segid " " and resid 1241 and name HG3 )) 2.300 0.700 0.700 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.75771E-02 ppm1 3.203 ppm2 1.601 CV 1 OR { 3048} (( segid " " and resid 1241 and name HD3 )) (( segid " " and resid 1241 and name HG3 )) OR { 3048} (( segid " " and resid 1207 and name HD2 )) (( segid " " and resid 1207 and name HG3 )) OR { 3048} (( segid " " and resid 1207 and name HD3 )) (( segid " " and resid 1207 and name HG3 )) ASSI { 3086} (( segid " " and resid 1251 and name HG2 )) ( segid " " and resid 1254 and name HG2%) 3.400 1.500 1.500 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.79010E-03 ppm1 2.468 ppm2 1.277 CV 1 OR { 3086} (( segid " " and resid 1258 and name HG3 )) ( segid " " and resid 1254 and name HG2%) ASSI { 3093} (( segid " " and resid 1223 and name HG )) (( segid " " and resid 1223 and name H )) 2.600 0.900 0.900 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.38457E-02 ppm1 1.750 ppm2 7.930 CV 1 OR { 3093} (( segid " " and resid 1222 and name HG2 )) (( segid " " and resid 1222 and name H )) ASSI { 3102} (( segid " " and resid 1242 and name HA )) ( segid " " and resid 1284 and name HB% ) 2.500 0.800 0.800 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.47160E-02 ppm1 3.938 ppm2 1.245 CV 1 OR { 3102} (( segid " " and resid 1242 and name HA )) (( segid " " and resid 1242 and name HB3 )) ASSI { 3124} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1223 and name HB3 )) 2.200 0.600 0.600 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.85308E-02 ppm1 0.928 ppm2 1.473 CV 1 OR { 3124} ( segid " " and resid 1223 and name HD1%) (( segid " " and resid 1282 and name HB3 )) ASSI { 3145} (( segid " " and resid 1265 and name HG3 )) (( segid " " and resid 1265 and name HE22)) 3.600 1.600 1.600 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.86110E-03 ppm1 2.574 ppm2 7.650 CV 1 OR { 3145} (( segid " " and resid 1236 and name HG2 )) (( segid " " and resid 1236 and name HE21)) ASSI { 91} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1244 and name H )) 3.700 1.800 1.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.67107E-03 ppm1 8.236 ppm2 7.930 CV 1 OR { 91} (( segid " " and resid 1242 and name H )) (( segid " " and resid 1240 and name H )) ASSI { 107} (( segid " " and resid 1209 and name H )) (( segid " " and resid 1209 and name HB )) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.29615E-02 ppm1 8.253 ppm2 2.098 CV 1 OR { 107} (( segid " " and resid 1210 and name H )) (( segid " " and resid 1209 and name HB )) ASSI { 114} (( segid " " and resid 1209 and name H )) ( segid " " and resid 1209 and name HG2%) 2.900 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 8.253 ppm2 0.941 CV 1 OR { 114} (( segid " " and resid 1210 and name H )) ( segid " " and resid 1209 and name HG2%) ASSI { 118} (( segid " " and resid 1310 and name H )) (( segid " " and resid 1306 and name HA )) 3.000 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.15293E-02 ppm1 8.270 ppm2 4.048 CV 1 OR { 118} (( segid " " and resid 1209 and name H )) (( segid " " and resid 1206 and name HA )) OR { 118} (( segid " " and resid 1310 and name H )) (( segid " " and resid 1307 and name HA2 )) ASSI { 163} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1215 and name H )) 4.000 2.000 2.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.45209E-03 ppm1 8.280 ppm2 8.126 CV 1 OR { 163} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1216 and name H )) ASSI { 172} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1214 and name HB2 )) 4.400 2.400 1.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.54745E-03 ppm1 8.280 ppm2 1.959 CV 1 OR { 172} (( segid " " and resid 1213 and name H )) (( segid " " and resid 1216 and name HB )) ASSI { 173} (( segid " " and resid 1213 and name H )) ( segid " " and resid 1213 and name HD1%) 3.500 1.500 1.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.20009E-02 ppm1 8.280 ppm2 0.943 CV 1 OR { 173} (( segid " " and resid 1213 and name H )) ( segid " " and resid 1316 and name HD1%) ASSI { 177} (( segid " " and resid 1214 and name H )) (( segid " " and resid 1213 and name HG )) 3.900 1.900 1.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.90594E-03 ppm1 8.199 ppm2 1.613 CV 1 OR { 177} (( segid " " and resid 1214 and name H )) ( segid " " and resid 1215 and name HB% ) ASSI { 190} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1217 and name H )) 3.700 1.700 1.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.69758E-03 ppm1 8.124 ppm2 8.278 CV 1 OR { 190} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1213 and name H )) ASSI { 212} (( segid " " and resid 1218 and name H )) ( segid " " and resid 1215 and name HB% ) 3.700 1.700 1.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.36379E-03 ppm1 9.097 ppm2 1.626 CV 1 OR { 212} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1221 and name HG2 )) ASSI { 213} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1216 and name HB )) 3.700 1.700 1.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.42031E-03 ppm1 9.097 ppm2 1.960 CV 1 OR { 213} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1221 and name HB2 )) ASSI { 222} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1216 and name H )) 3.800 1.800 1.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.68694E-03 ppm1 9.097 ppm2 8.119 CV 1 OR { 222} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1220 and name H )) ASSI { 223} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1217 and name H )) 2.500 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.38763E-02 ppm1 9.097 ppm2 8.274 CV 1 OR { 223} (( segid " " and resid 1218 and name H )) (( segid " " and resid 1219 and name H )) ASSI { 231} (( segid " " and resid 1219 and name H )) (( segid " " and resid 1217 and name HA3 )) 4.500 2.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.43266E-03 ppm1 8.279 ppm2 4.041 CV 1 OR { 231} (( segid " " and resid 1219 and name H )) (( segid " " and resid 1220 and name HB3 )) ASSI { 273} (( segid " " and resid 1223 and name H )) (( segid " " and resid 1222 and name HA )) 3.200 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 7.917 ppm2 4.161 CV 1 OR { 273} (( segid " " and resid 1223 and name H )) (( segid " " and resid 1220 and name HA )) ASSI { 283} (( segid " " and resid 1224 and name H )) (( segid " " and resid 1220 and name HA )) 3.300 1.400 1.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.86355E-03 ppm1 7.566 ppm2 4.163 CV 1 OR { 283} (( segid " " and resid 1224 and name H )) (( segid " " and resid 1222 and name HA )) ASSI { 392} (( segid " " and resid 1227 and name H )) (( segid " " and resid 1227 and name HG )) 3.500 1.500 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.10225E-02 ppm1 8.074 ppm2 1.593 CV 1 OR { 392} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1241 and name HG3 )) ASSI { 396} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1242 and name HB3 )) 4.500 2.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.59163E-03 ppm1 8.074 ppm2 1.245 CV 1 OR { 396} (( segid " " and resid 1241 and name H )) ( segid " " and resid 1284 and name HB% ) ASSI { 408} (( segid " " and resid 1302 and name H )) (( segid " " and resid 1301 and name H )) 2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.30834E-02 ppm1 8.422 ppm2 8.242 CV 1 OR { 408} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1242 and name H )) ASSI { 435} (( segid " " and resid 1243 and name HD21)) (( segid " " and resid 1239 and name HG3 )) 4.500 2.600 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.38498E-03 ppm1 7.369 ppm2 2.033 CV 1 OR { 435} (( segid " " and resid 1243 and name HD21)) (( segid " " and resid 1242 and name HB2 )) ASSI { 483} (( segid " " and resid 1246 and name H )) ( segid " " and resid 1284 and name HB% ) 4.100 2.100 1.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.40970E-03 ppm1 9.440 ppm2 1.251 CV 1 OR { 483} (( segid " " and resid 1246 and name H )) (( segid " " and resid 1242 and name HB3 )) ASSI { 488} (( segid " " and resid 1336 and name H )) ( segid " " and resid 1335 and name HD1%) 3.300 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.68874E-03 ppm1 7.738 ppm2 0.812 CV 1 OR { 488} (( segid " " and resid 1336 and name H )) ( segid " " and resid 1315 and name HD2%) ASSI { 493} (( segid " " and resid 1336 and name H )) (( segid " " and resid 1334 and name HB3 )) 3.200 3.200 2.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.50683E-03 ppm1 7.743 ppm2 2.128 CV 1 OR { 493} (( segid " " and resid 1247 and name H )) (( segid " " and resid 1244 and name HB2 )) ASSI { 544} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1270 and name HA )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.13174E-02 ppm1 8.506 ppm2 4.245 CV 1 OR { 544} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1247 and name HA )) ASSI { 545} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1271 and name HA )) 3.000 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.16618E-02 ppm1 8.502 ppm2 4.122 CV 1 OR { 545} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1249 and name HA )) ASSI { 577} (( segid " " and resid 1251 and name H )) ( segid " " and resid 1247 and name HB% ) 3.700 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.53863E-03 ppm1 8.087 ppm2 1.587 CV 1 OR { 577} (( segid " " and resid 1251 and name H )) ( segid " " and resid 1253 and name HB% ) ASSI { 612} (( segid " " and resid 1312 and name H )) ( segid " " and resid 1274 and name HE% ) 4.400 2.400 1.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.53509E-03 ppm1 8.753 ppm2 7.127 CV 1 OR { 612} (( segid " " and resid 1312 and name H )) ( segid " " and resid 1278 and name HD% ) ASSI { 633} (( segid " " and resid 1255 and name H )) ( segid " " and resid 1252 and name HB% ) 4.300 2.300 1.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.56335E-03 ppm1 8.724 ppm2 1.860 CV 1 OR { 633} (( segid " " and resid 1255 and name H )) (( segid " " and resid 1256 and name HB3 )) ASSI { 668} (( segid " " and resid 1257 and name H )) ( segid " " and resid 1339 and name HB% ) 4.100 2.100 1.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.71875E-03 ppm1 7.583 ppm2 1.381 CV 1 OR { 668} (( segid " " and resid 1257 and name H )) ( segid " " and resid 1259 and name HB% ) ASSI { 703} (( segid " " and resid 1259 and name H )) (( segid " " and resid 1258 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.26595E-02 ppm1 8.419 ppm2 3.992 CV 1 OR { 703} (( segid " " and resid 1259 and name H )) (( segid " " and resid 1256 and name HA )) ASSI { 717} (( segid " " and resid 1260 and name H )) ( segid " " and resid 1322 and name HD2%) 4.100 2.100 1.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.61454E-03 ppm1 7.768 ppm2 0.973 CV 1 OR { 717} (( segid " " and resid 1260 and name H )) ( segid " " and resid 1257 and name HG1%) ASSI { 766} (( segid " " and resid 1266 and name H )) ( segid " " and resid 1263 and name HG2%) 3.800 1.800 1.800 peak 766 spectrum 1 weight 0.10000E+01 volume 0.82470E-03 ppm1 7.984 ppm2 1.384 CV 1 OR { 766} (( segid " " and resid 1266 and name H )) ( segid " " and resid 1259 and name HB% ) ASSI { 779} (( segid " " and resid 1266 and name H )) (( segid " " and resid 1264 and name HA )) 4.200 2.200 1.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.37085E-03 ppm1 7.986 ppm2 4.317 CV 1 OR { 779} (( segid " " and resid 1281 and name H )) (( segid " " and resid 1245 and name HA )) ASSI { 812} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1269 and name HA )) 4.400 2.500 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.48035E-03 ppm1 8.430 ppm2 4.075 CV 1 OR { 812} (( segid " " and resid 1268 and name H )) (( segid " " and resid 1271 and name HB3 )) ASSI { 819} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1270 and name H )) 2.400 0.700 0.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.55575E-02 ppm1 8.162 ppm2 8.429 CV 1 OR { 819} (( segid " " and resid 1269 and name H )) (( segid " " and resid 1268 and name H )) ASSI { 854} (( segid " " and resid 1272 and name H )) (( segid " " and resid 1272 and name HA2 )) 2.500 0.800 0.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.63908E-02 ppm1 7.958 ppm2 4.077 CV 1 OR { 854} (( segid " " and resid 1272 and name H )) (( segid " " and resid 1271 and name HB3 )) ASSI { 861} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1275 and name H )) 3.700 1.700 1.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.71875E-03 ppm1 7.821 ppm2 8.498 CV 1 OR { 861} (( segid " " and resid 1273 and name H )) (( segid " " and resid 1271 and name H )) ASSI { 934} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1275 and name HA3 )) 4.000 2.000 2.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.76114E-03 ppm1 9.026 ppm2 4.114 CV 1 OR { 934} (( segid " " and resid 1278 and name H )) (( segid " " and resid 1249 and name HA )) ASSI { 964} (( segid " " and resid 1280 and name H )) (( segid " " and resid 1281 and name HB3 )) 4.600 2.700 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.35849E-03 ppm1 7.826 ppm2 2.840 CV 1 OR { 964} (( segid " " and resid 1283 and name H )) (( segid " " and resid 1281 and name HB3 )) ASSI { 981} (( segid " " and resid 1317 and name H )) ( segid " " and resid 1317 and name HD2%) 3.700 1.700 1.700 peak 981 spectrum 1 weight 0.10000E+01 volume 0.15346E-02 ppm1 8.639 ppm2 0.869 CV 1 OR { 981} (( segid " " and resid 1282 and name H )) ( segid " " and resid 1282 and name HD1%) ASSI { 984} (( segid " " and resid 1282 and name H )) (( segid " " and resid 1282 and name HB3 )) 2.800 1.000 1.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.30640E-02 ppm1 8.639 ppm2 1.464 CV 1 OR { 984} (( segid " " and resid 1317 and name H )) (( segid " " and resid 1317 and name HB3 )) ASSI { 986} (( segid " " and resid 1282 and name H )) (( segid " " and resid 1281 and name HA )) 3.400 1.400 1.400 peak 986 spectrum 1 weight 0.10000E+01 volume 0.98718E-03 ppm1 8.639 ppm2 3.947 CV 1 OR { 986} (( segid " " and resid 1317 and name H )) (( segid " " and resid 1314 and name HA )) ASSI { 987} (( segid " " and resid 1282 and name H )) (( segid " " and resid 1279 and name HA )) 3.000 1.100 1.100 peak 987 spectrum 1 weight 0.10000E+01 volume 0.17395E-02 ppm1 8.640 ppm2 3.878 CV 1 OR { 987} (( segid " " and resid 1282 and name H )) (( segid " " and resid 1278 and name HA )) ASSI { 1185} (( segid " " and resid 1298 and name H )) (( segid " " and resid 1297 and name HB3 )) 3.100 1.200 1.200 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.35319E-02 ppm1 8.127 ppm2 2.776 CV 1 OR { 1185} (( segid " " and resid 1304 and name H )) (( segid " " and resid 1304 and name HB3 )) ASSI { 1218} (( segid " " and resid 1209 and name H )) (( segid " " and resid 1209 and name HA )) 3.200 1.200 1.200 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 8.252 ppm2 3.743 CV 1 OR { 1218} (( segid " " and resid 1210 and name H )) (( segid " " and resid 1209 and name HA )) ASSI { 1274} (( segid " " and resid 1305 and name H )) ( segid " " and resid 1349 and name HD2%) 3.600 1.600 1.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.12115E-02 ppm1 8.877 ppm2 1.069 CV 1 OR { 1274} (( segid " " and resid 1305 and name H )) ( segid " " and resid 1308 and name HG2%) ASSI { 1283} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1310 and name HB2 )) 4.400 2.400 1.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.32318E-03 ppm1 8.145 ppm2 2.294 CV 1 OR { 1283} (( segid " " and resid 1307 and name H )) (( segid " " and resid 1305 and name HB3 )) ASSI { 1328} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1309 and name HA )) 3.600 1.600 1.600 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.51037E-03 ppm1 8.753 ppm2 4.324 CV 1 OR { 1328} (( segid " " and resid 1312 and name H )) (( segid " " and resid 1310 and name HA )) ASSI { 1381} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1316 and name HB2 )) 2.400 0.700 0.700 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.39858E-02 ppm1 7.517 ppm2 2.014 CV 1 OR { 1381} (( segid " " and resid 1316 and name H )) (( segid " " and resid 1315 and name HB3 )) ASSI { 1421} (( segid " " and resid 1320 and name H )) (( segid " " and resid 1322 and name H )) 3.800 1.800 1.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.52979E-03 ppm1 8.562 ppm2 8.067 CV 1 OR { 1421} (( segid " " and resid 1320 and name H )) (( segid " " and resid 1318 and name H )) ASSI { 1440} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1319 and name HA )) 3.600 1.600 1.600 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 8.152 ppm2 3.994 CV 1 OR { 1440} (( segid " " and resid 1338 and name H )) (( segid " " and resid 1315 and name HA )) OR { 1440} (( segid " " and resid 1338 and name H )) (( segid " " and resid 1336 and name HA )) ASSI { 1475} (( segid " " and resid 1324 and name H )) (( segid " " and resid 1323 and name HA )) 3.400 1.400 1.400 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 7.313 ppm2 4.072 CV 1 OR { 1475} (( segid " " and resid 1324 and name H )) (( segid " " and resid 1322 and name HA )) ASSI { 1520} (( segid " " and resid 1332 and name H )) (( segid " " and resid 1332 and name HB2 )) 2.400 0.700 0.700 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.31275E-02 ppm1 8.096 ppm2 1.954 CV 1 OR { 1520} (( segid " " and resid 1332 and name H )) (( segid " " and resid 1331 and name HB2 )) ASSI { 1528} (( segid " " and resid 1334 and name H )) ( segid " " and resid 1318 and name HB% ) 3.800 1.800 1.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 8.248 ppm2 1.512 CV 1 OR { 1528} (( segid " " and resid 1334 and name H )) ( segid " " and resid 1337 and name HB% ) ASSI { 1530} (( segid " " and resid 1334 and name H )) (( segid " " and resid 1334 and name HB3 )) 2.400 0.700 0.700 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.56052E-02 ppm1 8.247 ppm2 2.130 CV 1 OR { 1530} (( segid " " and resid 1356 and name H )) (( segid " " and resid 1356 and name HB3 )) ASSI { 1532} (( segid " " and resid 1356 and name H )) (( segid " " and resid 1355 and name HG2 )) 3.300 1.400 1.400 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.20768E-02 ppm1 8.247 ppm2 2.400 CV 1 OR { 1532} (( segid " " and resid 1356 and name H )) (( segid " " and resid 1355 and name HG3 )) OR { 1532} (( segid " " and resid 1334 and name H )) (( segid " " and resid 1334 and name HG3 )) ASSI { 1617} (( segid " " and resid 1343 and name H )) ( segid " " and resid 1253 and name HB% ) 3.800 1.800 1.800 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.76469E-03 ppm1 8.382 ppm2 1.594 CV 1 OR { 1617} (( segid " " and resid 1343 and name H )) ( segid " " and resid 1341 and name HB% ) ASSI { 1632} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1343 and name HA )) 3.100 1.200 1.200 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 8.931 ppm2 4.120 CV 1 OR { 1632} (( segid " " and resid 1344 and name H )) (( segid " " and resid 1340 and name HA )) ASSI { 1684} (( segid " " and resid 1347 and name HD21)) (( segid " " and resid 1344 and name HA )) 3.400 1.500 1.500 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.77702E-03 ppm1 7.679 ppm2 4.501 CV 1 OR { 1684} (( segid " " and resid 1347 and name HD21)) (( segid " " and resid 1347 and name HA )) ASSI { 1689} (( segid " " and resid 1347 and name HD22)) (( segid " " and resid 1344 and name HA )) 3.900 1.900 1.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.69933E-03 ppm1 6.770 ppm2 4.502 CV 1 OR { 1689} (( segid " " and resid 1347 and name HD22)) (( segid " " and resid 1347 and name HA )) ASSI { 1767} (( segid " " and resid 1334 and name HE21)) (( segid " " and resid 1331 and name HA )) 4.100 2.100 1.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.34613E-03 ppm1 7.438 ppm2 4.134 CV 1 OR { 1767} (( segid " " and resid 1334 and name HE21)) (( segid " " and resid 1334 and name HA )) ASSI { 1784} (( segid " " and resid 1265 and name HE22)) (( segid " " and resid 1265 and name HG3 )) 3.200 1.300 1.300 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.11903E-02 ppm1 7.638 ppm2 2.551 CV 1 OR { 1784} (( segid " " and resid 1236 and name HE21)) (( segid " " and resid 1236 and name HG3 )) ASSI { 1786} (( segid " " and resid 1236 and name HE22)) (( segid " " and resid 1236 and name HG3 )) 3.700 1.700 1.700 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.73992E-03 ppm1 6.956 ppm2 2.551 CV 1 OR { 1786} (( segid " " and resid 1265 and name HE21)) (( segid " " and resid 1265 and name HG3 )) ASSI { 1792} (( segid " " and resid 1275 and name H )) ( segid " " and resid 1316 and name HD2%) 3.900 1.900 1.900 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.75230E-03 ppm1 8.499 ppm2 0.804 CV 1 OR { 1792} (( segid " " and resid 1275 and name H )) ( segid " " and resid 1216 and name HG2%) ASSI { 1797} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1225 and name HA )) 2.800 1.000 1.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.29880E-02 ppm1 7.400 ppm2 4.527 CV 1 OR { 1797} (( segid " " and resid 1225 and name H )) (( segid " " and resid 1224 and name HA )) ASSI { 1798} (( segid " " and resid 1302 and name H )) ( segid " " and resid 1299 and name HB% ) 3.700 1.800 1.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.99247E-03 ppm1 8.423 ppm2 1.588 CV 1 OR { 1798} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1241 and name HG3 )) OR { 1798} (( segid " " and resid 1243 and name H )) (( segid " " and resid 1350 and name HG13)) ASSI { 1800} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1269 and name HB3 )) 3.800 1.800 1.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.50154E-03 ppm1 8.488 ppm2 1.983 CV 1 OR { 1800} (( segid " " and resid 1250 and name H )) (( segid " " and resid 1346 and name HB )) OR { 1800} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1273 and name HB2 )) OR { 1800} (( segid " " and resid 1271 and name H )) (( segid " " and resid 1273 and name HB3 )) ASSI { 1801} (( segid " " and resid 1271 and name H )) ( segid " " and resid 1267 and name HD1%) 3.500 1.600 1.600 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.63222E-03 ppm1 8.488 ppm2 0.805 CV 1 OR { 1801} (( segid " " and resid 1271 and name H )) ( segid " " and resid 1267 and name HD2%) OR { 1801} (( segid " " and resid 1271 and name H )) ( segid " " and resid 1316 and name HD2%) OR { 1801} (( segid " " and resid 1250 and name H )) ( segid " " and resid 1350 and name HD1%) OR { 1801} (( segid " " and resid 1271 and name H )) ( segid " " and resid 1315 and name HD2%) ASSI { 1802} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1251 and name HB3 )) 4.500 2.500 1.500 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.43973E-03 ppm1 8.098 ppm2 2.299 CV 1 OR { 1802} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1255 and name HG3 )) OR { 1802} (( segid " " and resid 1254 and name H )) (( segid " " and resid 1257 and name HB )) ASSI { 1803} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1256 and name HA )) 3.500 1.500 1.500 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.79115E-03 ppm1 7.583 ppm2 4.045 CV 1 OR { 1803} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1255 and name HA )) OR { 1803} (( segid " " and resid 1257 and name H )) (( segid " " and resid 1253 and name HA )) ASSI { 1813} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1300 and name HB3 )) 4.000 2.000 2.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.56158E-03 ppm1 8.503 ppm2 2.281 CV 1 OR { 1813} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1301 and name HB )) OR { 1813} (( segid " " and resid 1303 and name H )) (( segid " " and resid 1305 and name HB3 )) ASSI { 1814} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1349 and name HA )) 4.200 2.200 1.800 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.40088E-03 ppm1 7.102 ppm2 4.225 CV 1 OR { 1814} (( segid " " and resid 1304 and name HD22)) (( segid " " and resid 1300 and name HA )) ASSI { 1816} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1305 and name HA )) 3.100 1.200 1.200 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 8.818 ppm2 4.197 CV 1 OR { 1816} (( segid " " and resid 1306 and name H )) (( segid " " and resid 1303 and name HB3 )) ASSI { 1820} (( segid " " and resid 1315 and name H )) (( segid " " and resid 1315 and name HG )) 3.600 1.600 1.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 7.918 ppm2 1.078 CV 1 OR { 1820} (( segid " " and resid 1315 and name H )) ( segid " " and resid 1342 and name HG2%) ASSI { 1821} (( segid " " and resid 1316 and name H )) ( segid " " and resid 1213 and name HD2%) 4.100 2.100 1.900 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 7.517 ppm2 0.877 CV 1 OR { 1821} (( segid " " and resid 1316 and name H )) ( segid " " and resid 1317 and name HD1%) OR { 1821} (( segid " " and resid 1316 and name H )) ( segid " " and resid 1317 and name HD2%) ASSI { 1822} (( segid " " and resid 1321 and name H )) (( segid " " and resid 1320 and name HB2 )) 3.700 1.700 1.700 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.11320E-02 ppm1 8.164 ppm2 1.828 CV 1 OR { 1822} (( segid " " and resid 1215 and name H )) (( segid " " and resid 1213 and name HB2 )) ASSI { 1823} (( segid " " and resid 1208 and name H )) ( segid " " and resid 1209 and name HG1%) 4.000 2.000 2.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 8.060 ppm2 0.986 CV 1 OR { 1823} (( segid " " and resid 1208 and name H )) ( segid " " and resid 1209 and name HG2%) OR { 1823} (( segid " " and resid 1322 and name H )) ( segid " " and resid 1322 and name HD1%) OR { 1823} (( segid " " and resid 1322 and name H )) ( segid " " and resid 1322 and name HD2%) ASSI { 1824} (( segid " " and resid 1331 and name H )) (( segid " " and resid 1328 and name HB2 )) 3.800 1.800 1.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.89361E-03 ppm1 7.959 ppm2 4.210 CV 1 OR { 1824} (( segid " " and resid 1330 and name H )) (( segid " " and resid 1328 and name HB2 )) ASSI { 1826} (( segid " " and resid 1241 and name H )) (( segid " " and resid 1239 and name HB2 )) 3.600 1.600 1.600 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.16406E-02 ppm1 8.096 ppm2 1.758 CV 1 OR { 1826} (( segid " " and resid 1332 and name H )) (( segid " " and resid 1261 and name HG3 )) ASSI { 1830} (( segid " " and resid 1348 and name H )) (( segid " " and resid 1345 and name HB3 )) 3.300 1.400 1.400 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.15964E-02 ppm1 8.084 ppm2 4.320 CV 1 OR { 1830} (( segid " " and resid 1348 and name H )) (( segid " " and resid 1351 and name HB ))
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