NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
620788 | 5m4t | 34055 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: M1.1C_noes.tbl ASSI { 17} (( segid " " and resid 414 and name HN )) (( segid " " and resid 413 and name HB2 )) 3.200 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.13688E-02 ppm1 8.280 ppm2 1.433 CV 1 OR { 17} (( segid " " and resid 414 and name HN )) (( segid " " and resid 413 and name HB1 )) ASSI { 18} (( segid " " and resid 413 and name HN )) (( segid " " and resid 408 and name HN )) 2.900 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.18834E-02 ppm1 6.798 ppm2 8.004 CV 1 ASSI { 27} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HB2 )) 3.300 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.95554E-03 ppm1 6.799 ppm2 1.433 CV 1 OR { 27} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HB1 )) ASSI { 35} (( segid " " and resid 410 and name HN )) (( segid " " and resid 410 and name HB2 )) 2.400 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.46333E-02 ppm1 8.325 ppm2 2.016 CV 1 OR { 35} (( segid " " and resid 410 and name HN )) (( segid " " and resid 410 and name HB1 )) ASSI { 43} (( segid " " and resid 436 and name HN )) (( segid " " and resid 435 and name HA )) 2.900 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.333 ppm2 4.513 CV 1 ASSI { 46} (( segid " " and resid 436 and name HN )) (( segid " " and resid 436 and name HB2 )) 3.200 1.300 1.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 8.333 ppm2 1.849 CV 1 OR { 46} (( segid " " and resid 436 and name HN )) (( segid " " and resid 436 and name HB1 )) ASSI { 47} (( segid " " and resid 436 and name HN )) (( segid " " and resid 436 and name HG2 )) 3.300 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 8.327 ppm2 2.178 CV 1 OR { 47} (( segid " " and resid 436 and name HN )) (( segid " " and resid 436 and name HG1 )) ASSI { 48} (( segid " " and resid 410 and name HN )) (( segid " " and resid 408 and name HA )) 3.000 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.324 ppm2 4.572 CV 1 ASSI { 51} (( segid " " and resid 410 and name HN )) (( segid " " and resid 409 and name HA )) 3.300 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.88946E-03 ppm1 8.325 ppm2 3.936 CV 1 ASSI { 52} (( segid " " and resid 410 and name HN )) ( segid " " and resid 409 and name HG2%) 4.200 2.200 1.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.50851E-03 ppm1 8.325 ppm2 1.349 CV 1 ASSI { 54} (( segid " " and resid 410 and name HN )) (( segid " " and resid 409 and name HB )) 3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.71279E-03 ppm1 8.325 ppm2 4.320 CV 1 ASSI { 63} (( segid " " and resid 410 and name HN )) (( segid " " and resid 411 and name HB1 )) 4.800 2.800 1.200 peak 63 spectrum 1 weight 0.10000E+01 volume 0.26269E-03 ppm1 8.325 ppm2 3.556 CV 1 OR { 63} (( segid " " and resid 410 and name HN )) (( segid " " and resid 411 and name HB2 )) ASSI { 66} (( segid " " and resid 410 and name HN )) (( segid " " and resid 408 and name HB1 )) 4.100 2.100 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.26116E-03 ppm1 8.327 ppm2 3.052 CV 1 ASSI { 70} (( segid " " and resid 410 and name HN )) (( segid " " and resid 413 and name HN )) 4.600 2.700 1.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.21046E-03 ppm1 8.324 ppm2 6.800 CV 1 ASSI { 334} (( segid " " and resid 375 and name HN )) (( segid " " and resid 374 and name HA )) 2.700 0.900 0.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.26362E-02 ppm1 8.357 ppm2 4.189 CV 1 ASSI { 1241} (( segid " " and resid 406 and name HN )) (( segid " " and resid 387 and name HB2 )) 4.600 2.700 1.400 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.26423E-03 ppm1 9.687 ppm2 2.637 CV 1 ASSI { 1244} (( segid " " and resid 405 and name HN )) (( segid " " and resid 405 and name HB1 )) 3.200 1.200 1.200 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.25194E-02 ppm1 6.833 ppm2 2.151 CV 1 ASSI { 1246} (( segid " " and resid 405 and name HN )) (( segid " " and resid 401 and name HA )) 2.700 0.900 0.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.22875E-02 ppm1 6.833 ppm2 4.233 CV 1 ASSI { 1249} (( segid " " and resid 406 and name HN )) (( segid " " and resid 417 and name HA )) 4.400 2.500 1.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.17974E-03 ppm1 9.685 ppm2 4.065 CV 1 ASSI { 1250} (( segid " " and resid 390 and name HN )) ( segid " " and resid 390 and name HB% ) 2.400 0.700 0.700 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.52539E-02 ppm1 7.172 ppm2 1.358 CV 1 ASSI { 1261} (( segid " " and resid 406 and name HN )) (( segid " " and resid 417 and name HG2 )) 4.900 3.000 1.100 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.13365E-03 ppm1 9.687 ppm2 1.378 CV 1 OR { 1261} (( segid " " and resid 406 and name HN )) (( segid " " and resid 417 and name HG1 )) ASSI { 1271} (( segid " " and resid 406 and name HN )) (( segid " " and resid 387 and name HB1 )) 4.800 2.800 1.200 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.10293E-03 ppm1 9.689 ppm2 2.473 CV 1 ASSI { 1275} (( segid " " and resid 405 and name HN )) (( segid " " and resid 401 and name HD2 )) 3.400 1.400 1.400 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.65136E-03 ppm1 6.833 ppm2 1.716 CV 1 OR { 1275} (( segid " " and resid 405 and name HN )) (( segid " " and resid 401 and name HD1 )) ASSI { 1276} (( segid " " and resid 405 and name HN )) ( segid " " and resid 416 and name HD1%) 3.600 1.600 1.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.58528E-03 ppm1 6.833 ppm2 0.850 CV 1 ASSI { 1278} (( segid " " and resid 390 and name HN )) (( segid " " and resid 390 and name HA )) 2.800 0.900 0.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.25317E-02 ppm1 7.172 ppm2 4.192 CV 1 ASSI { 1279} (( segid " " and resid 387 and name HN )) (( segid " " and resid 386 and name HB )) 2.500 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.31508E-02 ppm1 7.425 ppm2 2.005 CV 1 ASSI { 1286} (( segid " " and resid 390 and name HN )) (( segid " " and resid 387 and name HA )) 3.200 1.300 1.300 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.99702E-03 ppm1 7.171 ppm2 4.454 CV 1 ASSI { 1294} (( segid " " and resid 390 and name HN )) (( segid " " and resid 391 and name HA )) 4.600 2.600 1.400 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.59607E-03 ppm1 7.172 ppm2 3.854 CV 1 ASSI { 1310} (( segid " " and resid 405 and name HN )) (( segid " " and resid 417 and name HN )) 4.700 2.700 1.300 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.14287E-03 ppm1 6.834 ppm2 8.519 CV 1 ASSI { 1311} (( segid " " and resid 390 and name HN )) (( segid " " and resid 414 and name HB2 )) 4.100 2.100 1.900 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.54385E-03 ppm1 7.172 ppm2 3.434 CV 1 ASSI { 1312} (( segid " " and resid 390 and name HN )) (( segid " " and resid 414 and name HB1 )) 3.700 1.700 1.700 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.46240E-03 ppm1 7.172 ppm2 2.692 CV 1 ASSI { 1319} (( segid " " and resid 386 and name HN )) (( segid " " and resid 386 and name HB )) 2.300 0.600 0.600 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.53370E-02 ppm1 7.454 ppm2 2.005 CV 1 ASSI { 1320} (( segid " " and resid 390 and name HN )) (( segid " " and resid 388 and name HN )) 4.300 2.300 1.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.26730E-03 ppm1 7.172 ppm2 8.644 CV 1 ASSI { 1321} (( segid " " and resid 400 and name HN )) (( segid " " and resid 400 and name HG )) 2.300 0.600 0.600 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.36224E-02 ppm1 7.472 ppm2 1.684 CV 1 ASSI { 1328} (( segid " " and resid 405 and name HN )) (( segid " " and resid 402 and name HN )) 4.100 2.100 1.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.98321E-04 ppm1 6.832 ppm2 9.091 CV 1 ASSI { 1330} (( segid " " and resid 386 and name HN )) (( segid " " and resid 386 and name HG11)) 2.300 0.700 0.700 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.30463E-02 ppm1 7.454 ppm2 1.584 CV 1 ASSI { 1332} (( segid " " and resid 386 and name HN )) (( segid " " and resid 385 and name HB2 )) 2.600 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.25102E-02 ppm1 7.454 ppm2 1.836 CV 1 OR { 1332} (( segid " " and resid 386 and name HN )) (( segid " " and resid 385 and name HB1 )) ASSI { 1334} (( segid " " and resid 387 and name HN )) (( segid " " and resid 386 and name HG11)) 4.100 2.100 1.900 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.60988E-03 ppm1 7.425 ppm2 1.588 CV 1 ASSI { 1337} (( segid " " and resid 387 and name HN )) (( segid " " and resid 383 and name HA )) 3.700 1.700 1.700 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.46855E-03 ppm1 7.425 ppm2 3.926 CV 1 ASSI { 1341} (( segid " " and resid 390 and name HN )) (( segid " " and resid 391 and name HB1 )) 5.700 4.100 0.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.15209E-03 ppm1 7.172 ppm2 2.010 CV 1 ASSI { 1345} (( segid " " and resid 387 and name HN )) (( segid " " and resid 385 and name HB1 )) 4.100 2.100 1.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.39327E-03 ppm1 7.425 ppm2 1.836 CV 1 ASSI { 1346} (( segid " " and resid 390 and name HN )) (( segid " " and resid 391 and name HB2 )) 5.100 3.200 0.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.13519E-03 ppm1 7.173 ppm2 1.841 CV 1 ASSI { 1348} (( segid " " and resid 400 and name HN )) (( segid " " and resid 402 and name HN )) 5.300 3.500 0.700 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.10600E-03 ppm1 7.469 ppm2 9.095 CV 1 ASSI { 1349} (( segid " " and resid 404 and name HN )) (( segid " " and resid 404 and name HA2 )) 2.600 0.800 0.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.28912E-02 ppm1 7.738 ppm2 3.673 CV 1 ASSI { 1351} (( segid " " and resid 387 and name HN )) (( segid " " and resid 388 and name HB2 )) 4.700 2.800 1.300 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.35641E-03 ppm1 7.425 ppm2 2.755 CV 1 OR { 1351} (( segid " " and resid 387 and name HN )) (( segid " " and resid 388 and name HB1 )) ASSI { 1353} (( segid " " and resid 387 and name HN )) (( segid " " and resid 386 and name HG12)) 3.400 3.400 2.600 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.30417E-03 ppm1 7.424 ppm2 1.197 CV 1 ASSI { 1357} (( segid " " and resid 387 and name HN )) (( segid " " and resid 383 and name HG1 )) 4.400 2.500 1.600 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.23504E-03 ppm1 7.425 ppm2 1.410 CV 1 OR { 1357} (( segid " " and resid 387 and name HN )) (( segid " " and resid 383 and name HG2 )) ASSI { 1359} (( segid " " and resid 386 and name HN )) (( segid " " and resid 386 and name HG12)) 3.700 1.700 1.700 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.17667E-02 ppm1 7.454 ppm2 1.197 CV 1 ASSI { 1364} (( segid " " and resid 387 and name HN )) (( segid " " and resid 384 and name HN )) 4.700 2.800 1.300 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.13365E-03 ppm1 7.424 ppm2 8.314 CV 1 ASSI { 1367} (( segid " " and resid 400 and name HN )) ( segid " " and resid 400 and name HD2%) 3.700 1.700 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 7.471 ppm2 0.886 CV 1 ASSI { 1370} (( segid " " and resid 387 and name HN )) (( segid " " and resid 405 and name HB2 )) 5.100 3.300 0.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.10754E-03 ppm1 7.424 ppm2 3.009 CV 1 ASSI { 1372} (( segid " " and resid 400 and name HN )) (( segid " " and resid 399 and name HB1 )) 3.500 1.500 1.500 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.78041E-03 ppm1 7.471 ppm2 2.810 CV 1 ASSI { 1374} (( segid " " and resid 391 and name HN )) ( segid " " and resid 400 and name HD2%) 5.200 3.400 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.10293E-03 ppm1 7.945 ppm2 0.885 CV 1 ASSI { 1378} (( segid " " and resid 404 and name HN )) (( segid " " and resid 404 and name HA1 )) 2.800 1.000 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.27498E-02 ppm1 7.738 ppm2 4.203 CV 1 ASSI { 1379} (( segid " " and resid 389 and name HN )) (( segid " " and resid 387 and name HA )) 3.100 1.200 1.200 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.14917E-02 ppm1 7.548 ppm2 4.455 CV 1 ASSI { 1380} (( segid " " and resid 386 and name HN )) (( segid " " and resid 388 and name HN )) 4.100 2.100 1.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.35487E-03 ppm1 7.455 ppm2 8.650 CV 1 ASSI { 1382} (( segid " " and resid 386 and name HN )) (( segid " " and resid 385 and name HG2 )) 4.600 2.600 1.400 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.30264E-03 ppm1 7.455 ppm2 1.394 CV 1 OR { 1382} (( segid " " and resid 386 and name HN )) (( segid " " and resid 385 and name HG1 )) ASSI { 1388} (( segid " " and resid 386 and name HN )) (( segid " " and resid 387 and name HB1 )) 5.400 3.600 0.600 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.21507E-03 ppm1 7.455 ppm2 2.474 CV 1 ASSI { 1389} (( segid " " and resid 404 and name HN )) (( segid " " and resid 401 and name HD2 )) 4.600 2.600 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.11983E-03 ppm1 7.738 ppm2 1.728 CV 1 OR { 1389} (( segid " " and resid 404 and name HN )) (( segid " " and resid 401 and name HD1 )) ASSI { 1390} (( segid " " and resid 400 and name HN )) (( segid " " and resid 401 and name HA )) 4.800 2.900 1.200 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20278E-03 ppm1 7.471 ppm2 4.252 CV 1 ASSI { 1392} (( segid " " and resid 400 and name HN )) (( segid " " and resid 405 and name HB2 )) 4.800 2.800 1.200 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.17052E-03 ppm1 7.473 ppm2 3.018 CV 1 ASSI { 1394} (( segid " " and resid 389 and name HN )) (( segid " " and resid 391 and name HN )) 4.300 2.300 1.700 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.52692E-03 ppm1 7.548 ppm2 7.937 CV 1 ASSI { 1395} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HB2 )) 3.400 1.500 1.500 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.55613E-03 ppm1 7.738 ppm2 1.920 CV 1 ASSI { 1397} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HB1 )) 3.800 1.800 1.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.42554E-03 ppm1 7.738 ppm2 2.114 CV 1 ASSI { 1398} (( segid " " and resid 404 and name HN )) ( segid " " and resid 416 and name HD1%) 4.000 2.000 2.000 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.36562E-03 ppm1 7.739 ppm2 0.862 CV 1 ASSI { 1400} (( segid " " and resid 408 and name HN )) (( segid " " and resid 408 and name HB1 )) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.23720E-02 ppm1 7.995 ppm2 3.053 CV 1 ASSI { 1402} (( segid " " and resid 389 and name HN )) (( segid " " and resid 385 and name HD1 )) 3.200 1.300 1.300 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.82189E-03 ppm1 7.548 ppm2 1.602 CV 1 ASSI { 1403} (( segid " " and resid 389 and name HN )) (( segid " " and resid 387 and name HB1 )) 4.800 2.900 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.24273E-03 ppm1 7.548 ppm2 2.471 CV 1 ASSI { 1404} (( segid " " and resid 389 and name HN )) (( segid " " and resid 385 and name HB2 )) 3.600 1.600 1.600 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.22583E-03 ppm1 7.547 ppm2 1.829 CV 1 OR { 1404} (( segid " " and resid 389 and name HN )) (( segid " " and resid 385 and name HB1 )) ASSI { 1405} (( segid " " and resid 389 and name HN )) (( segid " " and resid 386 and name HB )) 3.600 3.600 2.400 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.22429E-03 ppm1 7.548 ppm2 2.007 CV 1 ASSI { 1411} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HG2 )) 4.600 2.600 1.400 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.24119E-03 ppm1 7.738 ppm2 1.341 CV 1 OR { 1411} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HG1 )) ASSI { 1416} (( segid " " and resid 404 and name HN )) (( segid " " and resid 402 and name HN )) 4.900 3.000 1.100 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.15362E-03 ppm1 7.741 ppm2 9.099 CV 1 ASSI { 1421} (( segid " " and resid 408 and name HN )) (( segid " " and resid 415 and name HB1 )) 4.000 2.000 2.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.37331E-03 ppm1 7.996 ppm2 1.959 CV 1 OR { 1421} (( segid " " and resid 408 and name HN )) (( segid " " and resid 415 and name HB2 )) ASSI { 1423} (( segid " " and resid 408 and name HN )) ( segid " " and resid 406 and name HG2%) 4.200 2.200 1.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.26116E-03 ppm1 7.995 ppm2 0.806 CV 1 OR { 1423} (( segid " " and resid 408 and name HN )) ( segid " " and resid 406 and name HG1%) ASSI { 1424} (( segid " " and resid 408 and name HN )) ( segid " " and resid 409 and name HG2%) 4.400 2.500 1.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.25809E-03 ppm1 7.995 ppm2 1.351 CV 1 ASSI { 1437} (( segid " " and resid 415 and name HN )) (( segid " " and resid 415 and name HG2 )) 3.300 1.300 1.300 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.12566E-02 ppm1 9.052 ppm2 1.813 CV 1 OR { 1437} (( segid " " and resid 415 and name HN )) (( segid " " and resid 415 and name HG1 )) ASSI { 1438} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HB2 )) 2.400 0.700 0.700 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.33674E-02 ppm1 7.557 ppm2 1.905 CV 1 ASSI { 1439} (( segid " " and resid 408 and name HN )) (( segid " " and resid 413 and name HG2 )) 4.800 2.900 1.200 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.11522E-03 ppm1 7.997 ppm2 1.057 CV 1 OR { 1439} (( segid " " and resid 408 and name HN )) (( segid " " and resid 413 and name HG1 )) ASSI { 1442} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HG1 )) 3.400 1.500 1.500 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.19602E-02 ppm1 7.557 ppm2 1.461 CV 1 OR { 1442} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HG2 )) ASSI { 1444} (( segid " " and resid 401 and name HN )) (( segid " " and resid 400 and name HA )) 3.000 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.14026E-02 ppm1 7.557 ppm2 4.447 CV 1 ASSI { 1445} (( segid " " and resid 415 and name HN )) (( segid " " and resid 414 and name HB2 )) 4.300 2.300 1.700 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.37331E-03 ppm1 9.052 ppm2 3.434 CV 1 ASSI { 1446} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HD1 )) 3.700 1.700 1.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 7.557 ppm2 1.707 CV 1 OR { 1446} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HD2 )) ASSI { 1451} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HB2 )) 2.500 0.800 0.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.26131E-02 ppm1 7.586 ppm2 1.924 CV 1 ASSI { 1457} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HB1 )) 3.400 1.400 1.400 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.17713E-02 ppm1 7.586 ppm2 2.096 CV 1 ASSI { 1460} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HG2 )) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.15132E-02 ppm1 7.587 ppm2 1.336 CV 1 OR { 1460} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HG1 )) ASSI { 1461} (( segid " " and resid 415 and name HN )) (( segid " " and resid 387 and name HB1 )) 4.200 2.200 1.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.17359E-03 ppm1 9.051 ppm2 2.465 CV 1 ASSI { 1465} (( segid " " and resid 398 and name HN )) (( segid " " and resid 398 and name HB2 )) 2.400 0.700 0.700 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.33428E-02 ppm1 8.522 ppm2 2.096 CV 1 ASSI { 1467} (( segid " " and resid 401 and name HN )) (( segid " " and resid 399 and name HB2 )) 4.300 2.300 1.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.20125E-03 ppm1 7.557 ppm2 2.826 CV 1 ASSI { 1469} (( segid " " and resid 403 and name HN )) (( segid " " and resid 404 and name HA2 )) 4.500 2.500 1.500 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.40403E-03 ppm1 7.586 ppm2 3.676 CV 1 ASSI { 1470} (( segid " " and resid 401 and name HN )) ( segid " " and resid 400 and name HD2%) 3.700 1.700 1.700 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.19971E-03 ppm1 7.557 ppm2 0.886 CV 1 ASSI { 1472} (( segid " " and resid 407 and name HN )) ( segid " " and resid 407 and name HE% ) 5.300 3.600 0.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.98321E-04 ppm1 9.054 ppm2 7.075 CV 1 ASSI { 1474} (( segid " " and resid 401 and name HN )) (( segid " " and resid 405 and name HN )) 5.200 3.400 0.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.15209E-03 ppm1 7.557 ppm2 6.832 CV 1 ASSI { 1475} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HD1 )) 4.300 2.300 1.700 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.32876E-03 ppm1 7.585 ppm2 1.545 CV 1 ASSI { 1476} (( segid " " and resid 403 and name HN )) ( segid " " and resid 400 and name HD1%) 4.000 2.000 2.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.30878E-03 ppm1 7.586 ppm2 0.712 CV 1 ASSI { 1477} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HN )) 2.600 0.800 0.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.29234E-02 ppm1 7.626 ppm2 8.521 CV 1 ASSI { 1478} (( segid " " and resid 403 and name HN )) (( segid " " and resid 400 and name HB2 )) 3.700 1.700 1.700 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.30110E-03 ppm1 7.588 ppm2 1.729 CV 1 ASSI { 1479} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HA )) 2.800 1.000 1.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.23136E-02 ppm1 7.626 ppm2 3.947 CV 1 ASSI { 1480} (( segid " " and resid 403 and name HN )) (( segid " " and resid 402 and name HG2 )) 4.300 2.300 1.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.28113E-03 ppm1 7.585 ppm2 2.247 CV 1 OR { 1480} (( segid " " and resid 403 and name HN )) (( segid " " and resid 402 and name HG1 )) ASSI { 1481} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HB2 )) 2.800 1.000 1.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.16084E-02 ppm1 7.626 ppm2 2.091 CV 1 ASSI { 1483} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HB1 )) 3.400 1.400 1.400 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.14717E-02 ppm1 7.626 ppm2 2.022 CV 1 ASSI { 1484} (( segid " " and resid 399 and name HN )) (( segid " " and resid 400 and name HG )) 3.900 1.900 1.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.84803E-03 ppm1 7.626 ppm2 1.689 CV 1 ASSI { 1486} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HE1 )) 5.100 3.200 0.900 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.14440E-03 ppm1 7.589 ppm2 2.888 CV 1 OR { 1486} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HE2 )) ASSI { 1487} (( segid " " and resid 399 and name HN )) ( segid " " and resid 396 and name HB% ) 3.900 1.900 1.900 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.64829E-03 ppm1 7.626 ppm2 1.349 CV 1 ASSI { 1490} (( segid " " and resid 398 and name HN )) (( segid " " and resid 398 and name HG2 )) 2.900 1.000 1.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.19049E-02 ppm1 8.521 ppm2 2.341 CV 1 ASSI { 1492} (( segid " " and resid 399 and name HN )) (( segid " " and resid 400 and name HA )) 4.500 2.600 1.500 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.33182E-03 ppm1 7.627 ppm2 4.446 CV 1 ASSI { 1493} (( segid " " and resid 398 and name HN )) (( segid " " and resid 397 and name HB2 )) 3.300 1.400 1.400 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.17820E-02 ppm1 8.521 ppm2 3.058 CV 1 ASSI { 1495} (( segid " " and resid 399 and name HN )) (( segid " " and resid 398 and name HG2 )) 4.600 2.700 1.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.29803E-03 ppm1 7.626 ppm2 2.345 CV 1 ASSI { 1496} (( segid " " and resid 399 and name HN )) (( segid " " and resid 399 and name HD22)) 4.500 2.600 1.500 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.28267E-03 ppm1 7.627 ppm2 6.798 CV 1 ASSI { 1497} (( segid " " and resid 397 and name HN )) (( segid " " and resid 397 and name HB1 )) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.31493E-02 ppm1 8.013 ppm2 2.896 CV 1 ASSI { 1499} (( segid " " and resid 399 and name HN )) ( segid " " and resid 400 and name HD2%) 5.000 3.100 1.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.22122E-03 ppm1 7.626 ppm2 0.894 CV 1 ASSI { 1500} (( segid " " and resid 399 and name HN )) ( segid " " and resid 400 and name HD1%) 5.000 3.100 1.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.21046E-03 ppm1 7.626 ppm2 0.707 CV 1 ASSI { 1503} (( segid " " and resid 398 and name HN )) (( segid " " and resid 397 and name HA )) 3.600 1.600 1.600 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.59914E-03 ppm1 8.521 ppm2 4.074 CV 1 ASSI { 1504} (( segid " " and resid 399 and name HN )) (( segid " " and resid 397 and name HB2 )) 3.600 1.600 1.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.22275E-03 ppm1 7.625 ppm2 3.042 CV 1 ASSI { 1505} (( segid " " and resid 397 and name HN )) (( segid " " and resid 397 and name HB2 )) 2.500 0.800 0.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.27591E-02 ppm1 8.013 ppm2 3.059 CV 1 ASSI { 1506} (( segid " " and resid 399 and name HN )) (( segid " " and resid 397 and name HA )) 3.800 1.800 1.800 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.42093E-03 ppm1 7.626 ppm2 4.091 CV 1 ASSI { 1507} (( segid " " and resid 398 and name HN )) (( segid " " and resid 395 and name HB2 )) 3.600 1.600 1.600 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.46394E-03 ppm1 8.521 ppm2 1.716 CV 1 OR { 1507} (( segid " " and resid 398 and name HN )) (( segid " " and resid 395 and name HB1 )) ASSI { 1509} (( segid " " and resid 402 and name HN )) (( segid " " and resid 400 and name HA )) 4.500 2.500 1.500 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.12751E-03 ppm1 9.098 ppm2 4.442 CV 1 ASSI { 1511} (( segid " " and resid 397 and name HN )) (( segid " " and resid 396 and name HN )) 2.700 0.900 0.900 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.24703E-02 ppm1 8.012 ppm2 7.771 CV 1 ASSI { 1515} (( segid " " and resid 398 and name HN )) ( segid " " and resid 407 and name HD% ) 3.600 1.700 1.700 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.21046E-03 ppm1 8.521 ppm2 6.772 CV 1 ASSI { 1516} (( segid " " and resid 398 and name HN )) (( segid " " and resid 399 and name HA )) 5.000 3.200 1.000 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.19818E-03 ppm1 8.522 ppm2 4.610 CV 1 ASSI { 1517} (( segid " " and resid 398 and name HN )) (( segid " " and resid 407 and name HB1 )) 4.900 3.000 1.100 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.18128E-03 ppm1 8.522 ppm2 2.625 CV 1 ASSI { 1518} (( segid " " and resid 396 and name HN )) ( segid " " and resid 396 and name HB% ) 2.300 0.600 0.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.69621E-02 ppm1 7.778 ppm2 1.353 CV 1 ASSI { 1520} (( segid " " and resid 397 and name HN )) (( segid " " and resid 394 and name HA )) 3.200 1.300 1.300 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.84337E-03 ppm1 8.012 ppm2 2.757 CV 1 ASSI { 1522} (( segid " " and resid 397 and name HN )) (( segid " " and resid 393 and name HB1 )) 3.600 1.600 1.600 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.53920E-03 ppm1 8.012 ppm2 2.649 CV 1 ASSI { 1523} (( segid " " and resid 398 and name HN )) (( segid " " and resid 394 and name HG2 )) 4.400 2.400 1.600 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.15209E-03 ppm1 8.520 ppm2 1.208 CV 1 ASSI { 1524} (( segid " " and resid 397 and name HN )) (( segid " " and resid 395 and name HB2 )) 3.800 1.800 1.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.48852E-03 ppm1 8.012 ppm2 1.715 CV 1 OR { 1524} (( segid " " and resid 397 and name HN )) (( segid " " and resid 395 and name HB1 )) ASSI { 1525} (( segid " " and resid 397 and name HN )) ( segid " " and resid 407 and name HD% ) 4.100 2.100 1.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.42093E-03 ppm1 8.012 ppm2 6.768 CV 1 ASSI { 1526} (( segid " " and resid 396 and name HN )) (( segid " " and resid 395 and name HB2 )) 2.500 0.800 0.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.39297E-02 ppm1 7.778 ppm2 1.718 CV 1 OR { 1526} (( segid " " and resid 396 and name HN )) (( segid " " and resid 395 and name HB1 )) ASSI { 1527} (( segid " " and resid 398 and name HN )) ( segid " " and resid 400 and name HD2%) 5.200 3.400 0.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.11983E-03 ppm1 8.520 ppm2 0.876 CV 1 ASSI { 1528} (( segid " " and resid 395 and name HN )) (( segid " " and resid 395 and name HB1 )) 2.300 0.600 0.600 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.65706E-02 ppm1 8.031 ppm2 1.718 CV 1 OR { 1528} (( segid " " and resid 395 and name HN )) (( segid " " and resid 395 and name HB2 )) ASSI { 1530} (( segid " " and resid 395 and name HN )) (( segid " " and resid 396 and name HN )) 2.600 0.800 0.800 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.29849E-02 ppm1 8.031 ppm2 7.771 CV 1 ASSI { 1531} (( segid " " and resid 398 and name HN )) (( segid " " and resid 394 and name HB2 )) 4.000 2.000 2.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.11983E-03 ppm1 8.521 ppm2 0.805 CV 1 ASSI { 1535} (( segid " " and resid 397 and name HN )) ( segid " " and resid 400 and name HD2%) 4.500 2.500 1.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.23504E-03 ppm1 8.012 ppm2 0.892 CV 1 ASSI { 1536} (( segid " " and resid 397 and name HN )) (( segid " " and resid 393 and name HB2 )) 4.500 2.500 1.500 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.22890E-03 ppm1 8.012 ppm2 3.308 CV 1 ASSI { 1537} (( segid " " and resid 397 and name HN )) (( segid " " and resid 398 and name HB2 )) 4.800 2.900 1.200 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.20739E-03 ppm1 8.012 ppm2 2.095 CV 1 ASSI { 1538} (( segid " " and resid 397 and name HN )) (( segid " " and resid 414 and name HB2 )) 4.900 3.000 1.100 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.18128E-03 ppm1 8.013 ppm2 3.438 CV 1 ASSI { 1540} (( segid " " and resid 397 and name HN )) (( segid " " and resid 398 and name HG2 )) 5.200 3.400 0.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.14748E-03 ppm1 8.011 ppm2 2.347 CV 1 ASSI { 1541} (( segid " " and resid 396 and name HN )) (( segid " " and resid 393 and name HB2 )) 4.000 2.000 2.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.63755E-03 ppm1 7.778 ppm2 3.308 CV 1 ASSI { 1543} (( segid " " and resid 397 and name HN )) (( segid " " and resid 393 and name HA )) 5.000 3.100 1.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.11215E-03 ppm1 8.013 ppm2 4.555 CV 1 ASSI { 1545} (( segid " " and resid 396 and name HN )) (( segid " " and resid 393 and name HB1 )) 3.400 1.500 1.500 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.44551E-03 ppm1 7.778 ppm2 2.644 CV 1 ASSI { 1546} (( segid " " and resid 396 and name HN )) (( segid " " and resid 397 and name HB1 )) 4.100 2.100 1.900 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.42093E-03 ppm1 7.779 ppm2 2.891 CV 1 ASSI { 1551} (( segid " " and resid 396 and name HN )) (( segid " " and resid 393 and name HD22)) 4.500 2.500 1.500 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.31032E-03 ppm1 7.778 ppm2 6.865 CV 1 ASSI { 1552} (( segid " " and resid 396 and name HN )) (( segid " " and resid 397 and name HB2 )) 4.700 2.800 1.300 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.30110E-03 ppm1 7.778 ppm2 3.055 CV 1 ASSI { 1553} (( segid " " and resid 396 and name HN )) (( segid " " and resid 393 and name HA )) 4.400 2.400 1.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.24119E-03 ppm1 7.777 ppm2 4.539 CV 1 ASSI { 1554} (( segid " " and resid 394 and name HN )) (( segid " " and resid 394 and name HB1 )) 2.600 0.800 0.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.27498E-02 ppm1 8.158 ppm2 1.368 CV 1 ASSI { 1556} (( segid " " and resid 395 and name HN )) (( segid " " and resid 393 and name HA )) 3.900 1.900 1.900 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.52385E-03 ppm1 8.031 ppm2 4.537 CV 1 ASSI { 1560} (( segid " " and resid 393 and name HN )) (( segid " " and resid 393 and name HB1 )) 3.100 1.200 1.200 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.074 ppm2 2.647 CV 1 ASSI { 1563} (( segid " " and resid 395 and name HN )) (( segid " " and resid 395 and name HD1 )) 4.700 2.800 1.300 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.25502E-03 ppm1 8.031 ppm2 1.548 CV 1 OR { 1563} (( segid " " and resid 395 and name HN )) (( segid " " and resid 395 and name HD2 )) ASSI { 1564} (( segid " " and resid 394 and name HN )) (( segid " " and resid 393 and name HB2 )) 4.400 2.400 1.600 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.46548E-03 ppm1 8.158 ppm2 3.308 CV 1 ASSI { 1565} (( segid " " and resid 395 and name HN )) (( segid " " and resid 398 and name HN )) 4.300 2.300 1.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.20432E-03 ppm1 8.031 ppm2 8.521 CV 1 ASSI { 1566} (( segid " " and resid 394 and name HN )) (( segid " " and resid 394 and name HG2 )) 4.400 2.400 1.600 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.44858E-03 ppm1 8.158 ppm2 1.205 CV 1 ASSI { 1567} (( segid " " and resid 396 and name HN )) (( segid " " and resid 394 and name HB2 )) 5.100 3.300 0.900 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.12136E-03 ppm1 7.777 ppm2 0.796 CV 1 ASSI { 1568} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HB2 )) 2.600 0.900 0.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.53707E-02 ppm1 8.577 ppm2 1.849 CV 1 ASSI { 1569} (( segid " " and resid 395 and name HN )) (( segid " " and resid 398 and name HB2 )) 4.700 2.800 1.300 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.16899E-03 ppm1 8.033 ppm2 2.100 CV 1 ASSI { 1570} (( segid " " and resid 395 and name HN )) (( segid " " and resid 393 and name HB1 )) 4.500 2.500 1.500 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.13672E-03 ppm1 8.033 ppm2 2.635 CV 1 ASSI { 1571} (( segid " " and resid 394 and name HN )) (( segid " " and resid 395 and name HB1 )) 4.700 2.700 1.300 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.31800E-03 ppm1 8.158 ppm2 1.719 CV 1 OR { 1571} (( segid " " and resid 394 and name HN )) (( segid " " and resid 395 and name HB2 )) ASSI { 1574} (( segid " " and resid 395 and name HN )) (( segid " " and resid 393 and name HD22)) 5.100 3.300 0.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.12290E-03 ppm1 8.031 ppm2 6.873 CV 1 ASSI { 1576} (( segid " " and resid 395 and name HN )) (( segid " " and resid 393 and name HB2 )) 5.400 3.700 0.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.11061E-03 ppm1 8.033 ppm2 3.302 CV 1 ASSI { 1577} (( segid " " and resid 394 and name HN )) (( segid " " and resid 407 and name HZ )) 4.400 2.400 1.600 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.20125E-03 ppm1 8.158 ppm2 6.909 CV 1 ASSI { 1583} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HB1 )) 2.100 0.500 0.500 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.50574E-02 ppm1 8.577 ppm2 2.011 CV 1 ASSI { 1584} (( segid " " and resid 394 and name HN )) (( segid " " and resid 397 and name HB2 )) 4.800 2.800 1.200 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.15516E-03 ppm1 8.158 ppm2 3.048 CV 1 ASSI { 1585} (( segid " " and resid 393 and name HN )) (( segid " " and resid 391 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 8.080 ppm2 1.880 CV 1 ASSI { 1589} (( segid " " and resid 394 and name HN )) (( segid " " and resid 395 and name HA )) 5.400 3.700 0.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.12597E-03 ppm1 8.161 ppm2 3.879 CV 1 ASSI { 1593} (( segid " " and resid 393 and name HN )) (( segid " " and resid 391 and name HB1 )) 3.800 1.900 1.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.77274E-03 ppm1 8.074 ppm2 2.005 CV 1 ASSI { 1596} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HA )) 2.300 0.600 0.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.59439E-02 ppm1 7.945 ppm2 3.854 CV 1 ASSI { 1597} (( segid " " and resid 382 and name HN )) (( segid " " and resid 382 and name HD21)) 3.200 1.300 1.300 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.35180E-03 ppm1 8.077 ppm2 7.679 CV 1 ASSI { 1599} (( segid " " and resid 393 and name HN )) (( segid " " and resid 391 and name HA )) 4.300 2.300 1.700 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.31953E-03 ppm1 8.076 ppm2 3.854 CV 1 ASSI { 1600} (( segid " " and resid 382 and name HN )) (( segid " " and resid 381 and name HG1 )) 4.200 2.200 1.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.29188E-03 ppm1 8.081 ppm2 2.179 CV 1 OR { 1600} (( segid " " and resid 382 and name HN )) (( segid " " and resid 381 and name HG2 )) ASSI { 1602} (( segid " " and resid 392 and name HN )) (( segid " " and resid 392 and name HB1 )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 8.577 ppm2 2.704 CV 1 ASSI { 1603} (( segid " " and resid 382 and name HN )) (( segid " " and resid 383 and name HD1 )) 5.100 3.200 0.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.23351E-03 ppm1 8.081 ppm2 1.601 CV 1 OR { 1603} (( segid " " and resid 382 and name HN )) (( segid " " and resid 383 and name HD2 )) ASSI { 1605} (( segid " " and resid 393 and name HN )) (( segid " " and resid 392 and name HB2 )) 4.200 2.200 1.800 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.22890E-03 ppm1 8.074 ppm2 3.132 CV 1 ASSI { 1606} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HG2 )) 4.100 2.100 1.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.81422E-03 ppm1 8.577 ppm2 1.438 CV 1 ASSI { 1607} (( segid " " and resid 392 and name HN )) (( segid " " and resid 392 and name HB2 )) 3.400 1.400 1.400 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.67285E-03 ppm1 8.577 ppm2 3.128 CV 1 ASSI { 1609} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HD2 )) 5.100 3.300 0.900 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.28267E-03 ppm1 8.579 ppm2 1.673 CV 1 OR { 1609} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HD1 )) ASSI { 1610} (( segid " " and resid 393 and name HN )) (( segid " " and resid 393 and name HD22)) 5.000 3.100 1.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.22122E-03 ppm1 8.077 ppm2 6.883 CV 1 ASSI { 1613} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HG2 )) 3.000 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.18711E-02 ppm1 7.945 ppm2 1.398 CV 1 ASSI { 1614} (( segid " " and resid 393 and name HN )) (( segid " " and resid 390 and name HA )) 4.600 2.600 1.400 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.15977E-03 ppm1 8.074 ppm2 4.192 CV 1 ASSI { 1617} (( segid " " and resid 392 and name HN )) (( segid " " and resid 393 and name HB2 )) 5.000 3.100 1.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.19818E-03 ppm1 8.578 ppm2 3.306 CV 1 ASSI { 1618} (( segid " " and resid 392 and name HN )) ( segid " " and resid 407 and name HE% ) 4.600 2.700 1.400 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.17052E-03 ppm1 8.575 ppm2 7.082 CV 1 ASSI { 1619} (( segid " " and resid 393 and name HN )) (( segid " " and resid 391 and name HG1 )) 3.900 1.900 1.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.13519E-03 ppm1 8.074 ppm2 1.507 CV 1 ASSI { 1620} (( segid " " and resid 392 and name HN )) (( segid " " and resid 413 and name HA )) 4.300 2.300 1.700 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.16591E-03 ppm1 8.576 ppm2 4.415 CV 1 ASSI { 1622} (( segid " " and resid 392 and name HN )) (( segid " " and resid 393 and name HA )) 5.100 3.200 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.14748E-03 ppm1 8.579 ppm2 4.532 CV 1 ASSI { 1624} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HB1 )) 3.800 1.800 1.800 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.88485E-03 ppm1 7.945 ppm2 2.011 CV 1 ASSI { 1627} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HE2 )) 4.000 2.000 2.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.11215E-03 ppm1 8.578 ppm2 2.964 CV 1 OR { 1627} (( segid " " and resid 392 and name HN )) (( segid " " and resid 391 and name HE1 )) ASSI { 1631} (( segid " " and resid 392 and name HN )) (( segid " " and resid 407 and name HZ )) 5.200 3.400 0.800 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.99855E-04 ppm1 8.575 ppm2 6.904 CV 1 ASSI { 1633} (( segid " " and resid 391 and name HN )) (( segid " " and resid 414 and name HB1 )) 3.700 1.700 1.700 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.38252E-03 ppm1 7.945 ppm2 2.698 CV 1 ASSI { 1636} (( segid " " and resid 391 and name HN )) (( segid " " and resid 392 and name HN )) 4.500 2.500 1.500 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.35794E-03 ppm1 7.945 ppm2 8.578 CV 1 ASSI { 1637} (( segid " " and resid 391 and name HN )) (( segid " " and resid 414 and name HB2 )) 4.200 2.200 1.800 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.35333E-03 ppm1 7.945 ppm2 3.432 CV 1 ASSI { 1640} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HD2 )) 4.900 3.000 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.21661E-03 ppm1 7.945 ppm2 1.689 CV 1 OR { 1640} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HD1 )) ASSI { 1642} (( segid " " and resid 385 and name HN )) (( segid " " and resid 385 and name HB1 )) 2.200 0.600 0.600 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.74185E-02 ppm1 7.597 ppm2 1.836 CV 1 OR { 1642} (( segid " " and resid 385 and name HN )) (( segid " " and resid 385 and name HB2 )) ASSI { 1646} (( segid " " and resid 385 and name HN )) (( segid " " and resid 384 and name HB2 )) 2.500 0.800 0.800 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.40250E-02 ppm1 7.597 ppm2 2.010 CV 1 OR { 1646} (( segid " " and resid 385 and name HN )) (( segid " " and resid 384 and name HB1 )) ASSI { 1647} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HE1 )) 5.200 3.400 0.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.14134E-03 ppm1 7.943 ppm2 2.956 CV 1 OR { 1647} (( segid " " and resid 391 and name HN )) (( segid " " and resid 391 and name HE2 )) ASSI { 1653} (( segid " " and resid 388 and name HN )) (( segid " " and resid 385 and name HB2 )) 3.400 1.400 1.400 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.33029E-03 ppm1 8.648 ppm2 1.836 CV 1 OR { 1653} (( segid " " and resid 388 and name HN )) (( segid " " and resid 385 and name HB1 )) ASSI { 1655} (( segid " " and resid 388 and name HN )) ( segid " " and resid 386 and name HG2%) 4.400 2.400 1.600 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.29035E-03 ppm1 8.649 ppm2 0.853 CV 1 ASSI { 1657} (( segid " " and resid 388 and name HN )) (( segid " " and resid 384 and name HG1 )) 4.300 2.300 1.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.22275E-03 ppm1 8.649 ppm2 2.229 CV 1 OR { 1657} (( segid " " and resid 388 and name HN )) (( segid " " and resid 384 and name HG2 )) ASSI { 1659} (( segid " " and resid 388 and name HN )) (( segid " " and resid 386 and name HA )) 4.400 2.400 1.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.20739E-03 ppm1 8.650 ppm2 3.654 CV 1 ASSI { 1660} (( segid " " and resid 388 and name HN )) (( segid " " and resid 389 and name HA )) 5.100 3.300 0.900 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.19049E-03 ppm1 8.649 ppm2 4.081 CV 1 ASSI { 1661} (( segid " " and resid 385 and name HN )) (( segid " " and resid 385 and name HD2 )) 3.400 1.400 1.400 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.21108E-02 ppm1 7.597 ppm2 1.548 CV 1 ASSI { 1665} (( segid " " and resid 388 and name HN )) (( segid " " and resid 386 and name HG11)) 3.900 3.900 2.100 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.14287E-03 ppm1 8.649 ppm2 1.589 CV 1 ASSI { 1666} (( segid " " and resid 385 and name HN )) (( segid " " and resid 382 and name HA )) 3.100 1.200 1.200 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.11706E-02 ppm1 7.597 ppm2 4.487 CV 1 ASSI { 1667} (( segid " " and resid 385 and name HN )) (( segid " " and resid 385 and name HG1 )) 4.000 2.000 2.000 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.10247E-02 ppm1 7.597 ppm2 1.371 CV 1 OR { 1667} (( segid " " and resid 385 and name HN )) (( segid " " and resid 385 and name HG2 )) ASSI { 1673} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HD1 )) 2.600 0.800 0.800 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.32015E-02 ppm1 8.195 ppm2 1.597 CV 1 OR { 1673} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HD2 )) ASSI { 1674} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HB2 )) 2.800 1.000 1.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.15562E-02 ppm1 8.310 ppm2 1.764 CV 1 ASSI { 1675} (( segid " " and resid 384 and name HN )) (( segid " " and resid 384 and name HG2 )) 3.400 1.500 1.500 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.15347E-02 ppm1 8.310 ppm2 2.229 CV 1 OR { 1675} (( segid " " and resid 384 and name HN )) (( segid " " and resid 384 and name HG1 )) ASSI { 1679} (( segid " " and resid 385 and name HN )) (( segid " " and resid 381 and name HA )) 4.000 2.000 2.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.29649E-03 ppm1 7.596 ppm2 4.036 CV 1 ASSI { 1680} (( segid " " and resid 385 and name HN )) (( segid " " and resid 383 and name HN )) 4.000 2.000 2.000 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.28267E-03 ppm1 7.597 ppm2 8.180 CV 1 ASSI { 1681} (( segid " " and resid 384 and name HN )) (( segid " " and resid 385 and name HB1 )) 3.600 1.600 1.600 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.15562E-02 ppm1 8.311 ppm2 1.824 CV 1 OR { 1681} (( segid " " and resid 384 and name HN )) (( segid " " and resid 385 and name HB2 )) ASSI { 1682} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HN )) 3.000 1.100 1.100 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 8.310 ppm2 8.163 CV 1 ASSI { 1683} (( segid " " and resid 384 and name HN )) (( segid " " and resid 381 and name HA )) 3.300 1.300 1.300 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.88639E-03 ppm1 8.311 ppm2 4.006 CV 1 ASSI { 1685} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HD1 )) 4.000 2.000 2.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.84337E-03 ppm1 8.310 ppm2 1.595 CV 1 OR { 1685} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HD2 )) ASSI { 1686} (( segid " " and resid 385 and name HN )) (( segid " " and resid 388 and name HN )) 4.400 2.500 1.600 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.18895E-03 ppm1 7.597 ppm2 8.649 CV 1 ASSI { 1687} (( segid " " and resid 383 and name HN )) (( segid " " and resid 382 and name HA )) 2.700 0.900 0.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.27591E-02 ppm1 8.196 ppm2 4.488 CV 1 ASSI { 1688} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HB2 )) 2.300 0.700 0.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.27560E-02 ppm1 8.196 ppm2 1.763 CV 1 ASSI { 1689} (( segid " " and resid 384 and name HN )) (( segid " " and resid 382 and name HA )) 3.700 1.700 1.700 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.53613E-03 ppm1 8.310 ppm2 4.489 CV 1 ASSI { 1691} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HA )) 2.800 0.900 0.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.18927E-02 ppm1 8.195 ppm2 3.945 CV 1 ASSI { 1693} (( segid " " and resid 385 and name HN )) (( segid " " and resid 382 and name HB2 )) 4.800 2.800 1.200 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.11829E-03 ppm1 7.626 ppm2 2.793 CV 1 ASSI { 1694} (( segid " " and resid 384 and name HN )) (( segid " " and resid 382 and name HB2 )) 4.000 2.000 2.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.31339E-03 ppm1 8.310 ppm2 2.784 CV 1 ASSI { 1698} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HB1 )) 3.500 1.600 1.600 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.17574E-02 ppm1 8.196 ppm2 1.879 CV 1 ASSI { 1699} (( segid " " and resid 384 and name HN )) (( segid " " and resid 416 and name HG )) 4.900 3.000 1.100 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.23965E-03 ppm1 8.310 ppm2 1.010 CV 1 ASSI { 1701} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HG1 )) 3.800 1.800 1.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.12781E-02 ppm1 8.195 ppm2 1.380 CV 1 OR { 1701} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HG2 )) ASSI { 1702} (( segid " " and resid 381 and name HN )) (( segid " " and resid 381 and name HB2 )) 2.400 0.700 0.700 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.45411E-02 ppm1 8.385 ppm2 1.910 CV 1 OR { 1702} (( segid " " and resid 381 and name HN )) (( segid " " and resid 381 and name HB1 )) ASSI { 1704} (( segid " " and resid 379 and name HN )) (( segid " " and resid 378 and name HA )) 2.600 0.900 0.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.37315E-02 ppm1 8.328 ppm2 4.303 CV 1 ASSI { 1707} (( segid " " and resid 409 and name HN )) (( segid " " and resid 408 and name HA )) 2.200 0.600 0.600 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.87149E-02 ppm1 8.409 ppm2 4.574 CV 1 ASSI { 1708} (( segid " " and resid 383 and name HN )) (( segid " " and resid 384 and name HB1 )) 4.200 2.300 1.800 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.50084E-03 ppm1 8.196 ppm2 2.008 CV 1 OR { 1708} (( segid " " and resid 383 and name HN )) (( segid " " and resid 384 and name HB2 )) ASSI { 1709} (( segid " " and resid 381 and name HN )) ( segid " " and resid 380 and name HB% ) 2.800 1.000 1.000 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.25563E-02 ppm1 8.385 ppm2 1.346 CV 1 ASSI { 1713} (( segid " " and resid 381 and name HN )) (( segid " " and resid 381 and name HG1 )) 3.600 1.700 1.700 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.11629E-02 ppm1 8.385 ppm2 2.179 CV 1 OR { 1713} (( segid " " and resid 381 and name HN )) (( segid " " and resid 381 and name HG2 )) ASSI { 1714} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HE1 )) 5.100 3.300 0.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.22736E-03 ppm1 8.195 ppm2 2.928 CV 1 OR { 1714} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HE2 )) ASSI { 1715} (( segid " " and resid 383 and name HN )) (( segid " " and resid 384 and name HG2 )) 4.800 2.900 1.200 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.21814E-03 ppm1 8.195 ppm2 2.208 CV 1 OR { 1715} (( segid " " and resid 383 and name HN )) (( segid " " and resid 384 and name HG1 )) ASSI { 1718} (( segid " " and resid 380 and name HN )) (( segid " " and resid 379 and name HA )) 2.700 0.900 0.900 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.32215E-02 ppm1 8.600 ppm2 4.355 CV 1 ASSI { 1724} (( segid " " and resid 381 and name HN )) (( segid " " and resid 379 and name HB1 )) 4.300 2.400 1.700 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.38713E-03 ppm1 8.384 ppm2 3.846 CV 1 ASSI { 1727} (( segid " " and resid 379 and name HN )) (( segid " " and resid 379 and name HB2 )) 3.200 1.300 1.300 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.90332E-03 ppm1 8.328 ppm2 3.999 CV 1 ASSI { 1729} (( segid " " and resid 379 and name HN )) (( segid " " and resid 382 and name HB2 )) 4.000 2.000 2.000 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.63909E-03 ppm1 8.328 ppm2 2.788 CV 1 OR { 1729} (( segid " " and resid 379 and name HN )) (( segid " " and resid 382 and name HB1 )) ASSI { 1730} (( segid " " and resid 381 and name HN )) (( segid " " and resid 382 and name HB2 )) 5.100 3.200 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.22736E-03 ppm1 8.385 ppm2 2.786 CV 1 OR { 1730} (( segid " " and resid 381 and name HN )) (( segid " " and resid 382 and name HB1 )) ASSI { 1731} (( segid " " and resid 379 and name HN )) (( segid " " and resid 378 and name HB1 )) 3.400 1.400 1.400 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.58068E-03 ppm1 8.328 ppm2 1.952 CV 1 ASSI { 1732} (( segid " " and resid 381 and name HN )) ( segid " " and resid 416 and name HD2%) 4.700 2.800 1.300 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.18742E-03 ppm1 8.384 ppm2 0.783 CV 1 ASSI { 1735} (( segid " " and resid 411 and name HN )) (( segid " " and resid 412 and name HN )) 2.400 0.700 0.700 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.35917E-02 ppm1 7.299 ppm2 7.898 CV 1 ASSI { 1737} (( segid " " and resid 381 and name HN )) (( segid " " and resid 383 and name HD1 )) 5.000 3.200 1.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.12905E-03 ppm1 8.383 ppm2 1.609 CV 1 OR { 1737} (( segid " " and resid 381 and name HN )) (( segid " " and resid 383 and name HD2 )) ASSI { 1738} (( segid " " and resid 409 and name HN )) (( segid " " and resid 409 and name HB )) 3.300 1.400 1.400 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 8.408 ppm2 4.322 CV 1 ASSI { 1739} (( segid " " and resid 379 and name HN )) (( segid " " and resid 378 and name HG1 )) 4.400 2.400 1.600 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.25655E-03 ppm1 8.328 ppm2 2.204 CV 1 OR { 1739} (( segid " " and resid 379 and name HN )) (( segid " " and resid 378 and name HG2 )) ASSI { 1740} (( segid " " and resid 380 and name HN )) (( segid " " and resid 379 and name HB1 )) 3.700 1.700 1.700 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.45934E-03 ppm1 8.599 ppm2 3.842 CV 1 ASSI { 1741} (( segid " " and resid 379 and name HN )) (( segid " " and resid 382 and name HD21)) 4.600 2.600 1.400 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.20739E-03 ppm1 8.328 ppm2 7.683 CV 1 ASSI { 1744} (( segid " " and resid 379 and name HN )) (( segid " " and resid 383 and name HD1 )) 5.300 3.500 0.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.11675E-03 ppm1 8.328 ppm2 1.597 CV 1 OR { 1744} (( segid " " and resid 379 and name HN )) (( segid " " and resid 383 and name HD2 )) ASSI { 1745} (( segid " " and resid 379 and name HN )) (( segid " " and resid 382 and name HD22)) 5.600 3.900 0.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.11368E-03 ppm1 8.330 ppm2 6.965 CV 1 ASSI { 1746} (( segid " " and resid 411 and name HN )) (( segid " " and resid 410 and name HB1 )) 2.700 0.900 0.900 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.28190E-02 ppm1 7.299 ppm2 2.017 CV 1 OR { 1746} (( segid " " and resid 411 and name HN )) (( segid " " and resid 410 and name HB2 )) ASSI { 1748} (( segid " " and resid 411 and name HN )) (( segid " " and resid 411 and name HB1 )) 2.700 0.900 0.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.24457E-02 ppm1 7.299 ppm2 3.556 CV 1 OR { 1748} (( segid " " and resid 411 and name HN )) (( segid " " and resid 411 and name HB2 )) ASSI { 1749} (( segid " " and resid 409 and name HN )) (( segid " " and resid 408 and name HB1 )) 4.000 2.000 2.000 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.49925E-03 ppm1 8.408 ppm2 3.054 CV 1 ASSI { 1754} (( segid " " and resid 380 and name HN )) ( segid " " and resid 416 and name HD2%) 4.700 2.800 1.300 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.22122E-03 ppm1 8.600 ppm2 0.788 CV 1 ASSI { 1756} (( segid " " and resid 380 and name HN )) (( segid " " and resid 381 and name HB2 )) 5.100 3.200 0.900 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.20893E-03 ppm1 8.600 ppm2 1.917 CV 1 OR { 1756} (( segid " " and resid 380 and name HN )) (( segid " " and resid 381 and name HB1 )) ASSI { 1757} (( segid " " and resid 409 and name HN )) (( segid " " and resid 410 and name HB2 )) 4.500 2.600 1.500 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.35641E-03 ppm1 8.409 ppm2 2.020 CV 1 OR { 1757} (( segid " " and resid 409 and name HN )) (( segid " " and resid 410 and name HB1 )) ASSI { 1762} (( segid " " and resid 380 and name HN )) (( segid " " and resid 383 and name HD1 )) 4.700 2.800 1.300 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.14440E-03 ppm1 8.600 ppm2 1.621 CV 1 OR { 1762} (( segid " " and resid 380 and name HN )) (( segid " " and resid 383 and name HD2 )) ASSI { 1764} (( segid " " and resid 409 and name HN )) (( segid " " and resid 411 and name HN )) 4.300 2.300 1.700 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.31800E-03 ppm1 8.409 ppm2 7.298 CV 1 ASSI { 1766} (( segid " " and resid 411 and name HN )) (( segid " " and resid 408 and name HB1 )) 3.500 1.500 1.500 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.47470E-03 ppm1 7.299 ppm2 3.057 CV 1 ASSI { 1769} (( segid " " and resid 413 and name HN )) (( segid " " and resid 408 and name HB1 )) 2.900 1.000 1.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.14763E-02 ppm1 6.798 ppm2 3.055 CV 1 ASSI { 1770} (( segid " " and resid 412 and name HN )) (( segid " " and resid 412 and name HB1 )) 3.300 1.400 1.400 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 7.900 ppm2 2.437 CV 1 ASSI { 1772} (( segid " " and resid 409 and name HN )) ( segid " " and resid 406 and name HG2%) 3.800 1.800 1.800 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.15823E-03 ppm1 8.409 ppm2 0.798 CV 1 OR { 1772} (( segid " " and resid 409 and name HN )) ( segid " " and resid 406 and name HG1%) ASSI { 1773} (( segid " " and resid 409 and name HN )) ( segid " " and resid 407 and name HE% ) 4.600 2.600 1.400 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.14594E-03 ppm1 8.408 ppm2 7.077 CV 1 ASSI { 1775} (( segid " " and resid 411 and name HN )) (( segid " " and resid 408 and name HB2 )) 4.500 2.600 1.500 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.41325E-03 ppm1 7.301 ppm2 2.201 CV 1 ASSI { 1776} (( segid " " and resid 411 and name HN )) (( segid " " and resid 408 and name HD21)) 3.800 1.800 1.800 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.28728E-03 ppm1 7.298 ppm2 8.068 CV 1 ASSI { 1777} (( segid " " and resid 411 and name HN )) (( segid " " and resid 408 and name HA )) 4.600 2.600 1.400 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.19971E-03 ppm1 7.300 ppm2 4.577 CV 1 ASSI { 1779} (( segid " " and resid 412 and name HN )) (( segid " " and resid 412 and name HB2 )) 3.400 1.400 1.400 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.70972E-03 ppm1 7.900 ppm2 3.185 CV 1 ASSI { 1780} (( segid " " and resid 412 and name HN )) (( segid " " and resid 411 and name HB1 )) 3.600 1.600 1.600 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.67903E-03 ppm1 7.900 ppm2 3.558 CV 1 OR { 1780} (( segid " " and resid 412 and name HN )) (( segid " " and resid 411 and name HB2 )) ASSI { 1781} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HD2 )) 3.600 1.600 1.600 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 6.799 ppm2 1.346 CV 1 OR { 1781} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HD1 )) ASSI { 1784} (( segid " " and resid 411 and name HN )) (( segid " " and resid 412 and name HB1 )) 5.400 3.700 0.600 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.15823E-03 ppm1 7.298 ppm2 2.441 CV 1 ASSI { 1785} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HG2 )) 3.200 1.300 1.300 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.10400E-02 ppm1 6.799 ppm2 1.055 CV 1 OR { 1785} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HG1 )) ASSI { 1787} (( segid " " and resid 412 and name HN )) (( segid " " and resid 410 and name HB2 )) 3.200 1.300 1.300 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.47009E-03 ppm1 7.900 ppm2 2.017 CV 1 OR { 1787} (( segid " " and resid 412 and name HN )) (( segid " " and resid 410 and name HB1 )) ASSI { 1788} (( segid " " and resid 413 and name HN )) (( segid " " and resid 408 and name HB2 )) 4.100 2.100 1.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.81882E-03 ppm1 6.799 ppm2 2.217 CV 1 ASSI { 1789} (( segid " " and resid 414 and name HN )) ( segid " " and resid 390 and name HB% ) 3.100 1.200 1.200 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.14579E-02 ppm1 8.280 ppm2 1.354 CV 1 ASSI { 1791} (( segid " " and resid 411 and name HN )) (( segid " " and resid 413 and name HG2 )) 4.900 3.000 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.11215E-03 ppm1 7.302 ppm2 1.077 CV 1 OR { 1791} (( segid " " and resid 411 and name HN )) (( segid " " and resid 413 and name HG1 )) ASSI { 1792} (( segid " " and resid 412 and name HN )) (( segid " " and resid 408 and name HB1 )) 3.800 1.800 1.800 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.35794E-03 ppm1 7.900 ppm2 3.052 CV 1 ASSI { 1793} (( segid " " and resid 412 and name HN )) (( segid " " and resid 408 and name HD21)) 3.500 1.600 1.600 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.11322E-02 ppm1 7.898 ppm2 8.067 CV 1 ASSI { 1796} (( segid " " and resid 413 and name HN )) (( segid " " and resid 411 and name HB2 )) 3.800 1.800 1.800 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.44244E-03 ppm1 6.798 ppm2 3.559 CV 1 OR { 1796} (( segid " " and resid 413 and name HN )) (( segid " " and resid 411 and name HB1 )) ASSI { 1798} (( segid " " and resid 412 and name HN )) (( segid " " and resid 410 and name HA )) 4.000 2.000 2.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.43168E-03 ppm1 7.900 ppm2 4.121 CV 1 ASSI { 1800} (( segid " " and resid 412 and name HN )) (( segid " " and resid 407 and name HZ )) 4.700 2.700 1.300 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.20278E-03 ppm1 7.899 ppm2 6.916 CV 1 ASSI { 1801} (( segid " " and resid 413 and name HN )) ( segid " " and resid 407 and name HE% ) 3.300 1.400 1.400 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.93712E-03 ppm1 6.797 ppm2 7.070 CV 1 ASSI { 1802} (( segid " " and resid 413 and name HN )) (( segid " " and resid 414 and name HN )) 4.300 2.300 1.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.31800E-03 ppm1 6.799 ppm2 8.288 CV 1 ASSI { 1803} (( segid " " and resid 412 and name HN )) (( segid " " and resid 408 and name HB2 )) 5.200 3.400 0.800 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.19664E-03 ppm1 7.898 ppm2 2.205 CV 1 ASSI { 1805} (( segid " " and resid 412 and name HN )) (( segid " " and resid 413 and name HG1 )) 4.500 2.600 1.500 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.17820E-03 ppm1 7.896 ppm2 1.056 CV 1 OR { 1805} (( segid " " and resid 412 and name HN )) (( segid " " and resid 413 and name HG2 )) ASSI { 1807} (( segid " " and resid 412 and name HN )) (( segid " " and resid 408 and name HA )) 3.800 1.800 1.800 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.16130E-03 ppm1 7.900 ppm2 4.572 CV 1 ASSI { 1808} (( segid " " and resid 413 and name HN )) (( segid " " and resid 412 and name HB2 )) 4.400 2.400 1.600 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.30264E-03 ppm1 6.799 ppm2 3.188 CV 1 ASSI { 1811} (( segid " " and resid 413 and name HN )) (( segid " " and resid 392 and name HA )) 4.600 2.600 1.400 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.17667E-03 ppm1 6.798 ppm2 4.813 CV 1 ASSI { 1812} (( segid " " and resid 413 and name HN )) (( segid " " and resid 411 and name HA )) 4.700 2.800 1.300 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.17513E-03 ppm1 6.798 ppm2 4.237 CV 1 ASSI { 1813} (( segid " " and resid 413 and name HN )) (( segid " " and resid 415 and name HB1 )) 4.500 2.500 1.500 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.16438E-03 ppm1 6.796 ppm2 1.969 CV 1 OR { 1813} (( segid " " and resid 413 and name HN )) (( segid " " and resid 415 and name HB2 )) ASSI { 1815} (( segid " " and resid 414 and name HN )) (( segid " " and resid 413 and name HG2 )) 3.900 1.900 1.900 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.54385E-03 ppm1 8.280 ppm2 1.058 CV 1 OR { 1815} (( segid " " and resid 414 and name HN )) (( segid " " and resid 413 and name HG1 )) ASSI { 1818} (( segid " " and resid 414 and name HN )) (( segid " " and resid 407 and name HA )) 4.300 2.400 1.700 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.30417E-03 ppm1 8.282 ppm2 4.575 CV 1 ASSI { 1819} (( segid " " and resid 414 and name HN )) (( segid " " and resid 397 and name HB1 )) 5.100 3.200 0.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.22122E-03 ppm1 8.281 ppm2 2.913 CV 1 ASSI { 1822} (( segid " " and resid 416 and name HN )) (( segid " " and resid 416 and name HB1 )) 2.600 0.800 0.800 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.32123E-02 ppm1 8.661 ppm2 1.679 CV 1 ASSI { 1823} (( segid " " and resid 414 and name HN )) (( segid " " and resid 397 and name HB2 )) 4.800 2.900 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.17667E-03 ppm1 8.280 ppm2 3.066 CV 1 ASSI { 1824} (( segid " " and resid 414 and name HN )) (( segid " " and resid 407 and name HZ )) 3.800 1.800 1.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.15362E-03 ppm1 8.279 ppm2 6.921 CV 1 ASSI { 1825} (( segid " " and resid 416 and name HN )) (( segid " " and resid 416 and name HG )) 3.200 1.300 1.300 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.28374E-02 ppm1 8.661 ppm2 1.006 CV 1 ASSI { 1826} (( segid " " and resid 416 and name HN )) (( segid " " and resid 415 and name HG1 )) 3.000 1.100 1.100 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.21492E-02 ppm1 8.661 ppm2 1.845 CV 1 OR { 1826} (( segid " " and resid 416 and name HN )) (( segid " " and resid 415 and name HG2 )) ASSI { 1827} (( segid " " and resid 417 and name HN )) (( segid " " and resid 416 and name HA )) 2.300 0.600 0.600 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.52969E-02 ppm1 8.518 ppm2 4.494 CV 1 ASSI { 1830} (( segid " " and resid 416 and name HN )) (( segid " " and resid 387 and name HB1 )) 3.600 1.600 1.600 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.60835E-03 ppm1 8.660 ppm2 2.470 CV 1 ASSI { 1832} (( segid " " and resid 416 and name HN )) (( segid " " and resid 387 and name HB2 )) 3.500 1.500 1.500 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.48238E-03 ppm1 8.661 ppm2 2.635 CV 1 ASSI { 1837} (( segid " " and resid 417 and name HN )) (( segid " " and resid 417 and name HA )) 2.800 1.000 1.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.18849E-02 ppm1 8.518 ppm2 4.067 CV 1 ASSI { 1840} (( segid " " and resid 416 and name HN )) (( segid " " and resid 405 and name HA )) 4.600 2.700 1.400 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.18281E-03 ppm1 8.660 ppm2 5.298 CV 1 ASSI { 1841} (( segid " " and resid 417 and name HN )) (( segid " " and resid 417 and name HG2 )) 3.300 1.400 1.400 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.10108E-02 ppm1 8.518 ppm2 1.384 CV 1 OR { 1841} (( segid " " and resid 417 and name HN )) (( segid " " and resid 417 and name HG1 )) ASSI { 1842} (( segid " " and resid 416 and name HN )) (( segid " " and resid 388 and name HD21)) 4.800 2.800 1.200 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.15977E-03 ppm1 8.661 ppm2 7.720 CV 1 ASSI { 1844} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HB2 )) 2.400 0.700 0.700 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.53984E-02 ppm1 8.541 ppm2 1.711 CV 1 OR { 1844} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HB1 )) ASSI { 1847} (( segid " " and resid 419 and name HN )) (( segid " " and resid 418 and name HA )) 2.500 0.800 0.800 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.42139E-02 ppm1 8.476 ppm2 4.098 CV 1 ASSI { 1848} (( segid " " and resid 416 and name HN )) (( segid " " and resid 417 and name HA )) 4.900 2.900 1.100 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.12136E-03 ppm1 8.659 ppm2 4.072 CV 1 ASSI { 1849} (( segid " " and resid 416 and name HN )) (( segid " " and resid 387 and name HN )) 5.100 3.300 0.900 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.12136E-03 ppm1 8.658 ppm2 7.435 CV 1 ASSI { 1850} (( segid " " and resid 416 and name HN )) (( segid " " and resid 406 and name HN )) 4.800 2.900 1.200 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.11983E-03 ppm1 8.662 ppm2 9.695 CV 1 ASSI { 1854} (( segid " " and resid 418 and name HN )) ( segid " " and resid 406 and name HG2%) 2.800 2.800 3.200 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.92633E-03 ppm1 8.541 ppm2 0.815 CV 1 OR { 1854} (( segid " " and resid 418 and name HN )) ( segid " " and resid 406 and name HG1%) ASSI { 1856} (( segid " " and resid 417 and name HN )) (( segid " " and resid 420 and name HB )) 4.100 2.100 1.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.25348E-03 ppm1 8.518 ppm2 2.037 CV 1 ASSI { 1857} (( segid " " and resid 417 and name HN )) (( segid " " and resid 406 and name HB )) 4.100 2.100 1.900 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.21814E-03 ppm1 8.517 ppm2 1.941 CV 1 ASSI { 1858} (( segid " " and resid 417 and name HN )) (( segid " " and resid 404 and name HA1 )) 3.700 1.700 1.700 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.20585E-03 ppm1 8.518 ppm2 4.227 CV 1 ASSI { 1859} (( segid " " and resid 417 and name HN )) (( segid " " and resid 404 and name HA2 )) 3.800 1.800 1.800 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.17206E-03 ppm1 8.518 ppm2 3.679 CV 1 ASSI { 1870} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HE2 )) 4.600 2.600 1.400 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.19049E-03 ppm1 8.539 ppm2 2.895 CV 1 OR { 1870} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HE1 )) ASSI { 1871} (( segid " " and resid 418 and name HN )) (( segid " " and resid 419 and name HA )) 5.200 3.300 0.800 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.15209E-03 ppm1 8.539 ppm2 4.458 CV 1 ASSI { 1872} (( segid " " and resid 421 and name HN )) (( segid " " and resid 421 and name HB2 )) 2.500 0.800 0.800 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.30602E-02 ppm1 8.166 ppm2 1.638 CV 1 ASSI { 1878} (( segid " " and resid 418 and name HN )) (( segid " " and resid 415 and name HB2 )) 4.100 2.100 1.900 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.10907E-03 ppm1 8.540 ppm2 1.967 CV 1 OR { 1878} (( segid " " and resid 418 and name HN )) (( segid " " and resid 415 and name HB1 )) ASSI { 1879} (( segid " " and resid 421 and name HN )) (( segid " " and resid 420 and name HA )) 2.700 0.900 0.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.30479E-02 ppm1 8.166 ppm2 3.868 CV 1 ASSI { 1880} (( segid " " and resid 418 and name HN )) (( segid " " and resid 420 and name HN )) 5.100 3.200 0.900 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.96781E-04 ppm1 8.541 ppm2 7.675 CV 1 ASSI { 1888} (( segid " " and resid 419 and name HN )) (( segid " " and resid 418 and name HE2 )) 3.700 1.700 1.700 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.19510E-03 ppm1 8.475 ppm2 2.892 CV 1 OR { 1888} (( segid " " and resid 419 and name HN )) (( segid " " and resid 418 and name HE1 )) ASSI { 1890} (( segid " " and resid 420 and name HN )) (( segid " " and resid 417 and name HG1 )) 3.700 1.700 1.700 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.37331E-03 ppm1 7.688 ppm2 1.369 CV 1 OR { 1890} (( segid " " and resid 420 and name HN )) (( segid " " and resid 417 and name HG2 )) ASSI { 1891} (( segid " " and resid 421 and name HN )) (( segid " " and resid 421 and name HB1 )) 2.800 1.000 1.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.22460E-02 ppm1 8.166 ppm2 1.792 CV 1 ASSI { 1892} (( segid " " and resid 420 and name HN )) (( segid " " and resid 419 and name HB2 )) 3.900 1.900 1.900 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.34412E-03 ppm1 7.687 ppm2 2.597 CV 1 ASSI { 1895} (( segid " " and resid 423 and name HN )) (( segid " " and resid 422 and name HA )) 2.700 0.900 0.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.31047E-02 ppm1 7.953 ppm2 4.085 CV 1 ASSI { 1896} (( segid " " and resid 420 and name HN )) (( segid " " and resid 417 and name HA )) 4.100 2.100 1.900 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.24887E-03 ppm1 7.685 ppm2 4.079 CV 1 ASSI { 1903} (( segid " " and resid 422 and name HN )) (( segid " " and resid 421 and name HA )) 2.600 0.800 0.800 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.38022E-02 ppm1 8.294 ppm2 4.032 CV 1 ASSI { 1904} (( segid " " and resid 421 and name HN )) (( segid " " and resid 421 and name HG2 )) 3.900 1.900 1.900 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.89411E-03 ppm1 8.166 ppm2 1.313 CV 1 OR { 1904} (( segid " " and resid 421 and name HN )) (( segid " " and resid 421 and name HG1 )) ASSI { 1905} (( segid " " and resid 423 and name HN )) (( segid " " and resid 423 and name HB1 )) 2.600 0.900 0.900 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.29434E-02 ppm1 7.952 ppm2 1.756 CV 1 OR { 1905} (( segid " " and resid 423 and name HN )) (( segid " " and resid 423 and name HB2 )) ASSI { 1908} (( segid " " and resid 422 and name HN )) (( segid " " and resid 421 and name HB2 )) 3.500 1.600 1.600 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.11506E-02 ppm1 8.294 ppm2 1.634 CV 1 ASSI { 1909} (( segid " " and resid 421 and name HN )) (( segid " " and resid 419 and name HA )) 4.100 2.100 1.900 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.29957E-03 ppm1 8.165 ppm2 4.445 CV 1 ASSI { 1910} (( segid " " and resid 422 and name HN )) (( segid " " and resid 422 and name HG1 )) 3.800 1.800 1.800 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.11414E-02 ppm1 8.294 ppm2 2.249 CV 1 ASSI { 1911} (( segid " " and resid 424 and name HN )) (( segid " " and resid 424 and name HB2 )) 2.400 0.700 0.700 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.54400E-02 ppm1 8.109 ppm2 1.632 CV 1 OR { 1911} (( segid " " and resid 424 and name HN )) (( segid " " and resid 424 and name HB1 )) ASSI { 1915} (( segid " " and resid 422 and name HN )) (( segid " " and resid 421 and name HG2 )) 3.800 1.800 1.800 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.60681E-03 ppm1 8.294 ppm2 1.314 CV 1 OR { 1915} (( segid " " and resid 422 and name HN )) (( segid " " and resid 421 and name HG1 )) ASSI { 1916} (( segid " " and resid 421 and name HN )) (( segid " " and resid 421 and name HE1 )) 5.300 3.500 0.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.12136E-03 ppm1 8.166 ppm2 2.885 CV 1 OR { 1916} (( segid " " and resid 421 and name HN )) (( segid " " and resid 421 and name HE2 )) ASSI { 1917} (( segid " " and resid 423 and name HN )) (( segid " " and resid 424 and name HN )) 2.700 0.900 0.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.20417E-02 ppm1 7.951 ppm2 8.113 CV 1 ASSI { 1919} (( segid " " and resid 421 and name HN )) (( segid " " and resid 419 and name HB2 )) 4.100 2.100 1.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.10293E-03 ppm1 8.167 ppm2 2.593 CV 1 ASSI { 1920} (( segid " " and resid 422 and name HN )) (( segid " " and resid 419 and name HA )) 3.600 1.700 1.700 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.49772E-03 ppm1 8.294 ppm2 4.447 CV 1 ASSI { 1923} (( segid " " and resid 423 and name HN )) (( segid " " and resid 423 and name HG2 )) 4.200 2.200 1.800 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.45165E-03 ppm1 7.952 ppm2 1.370 CV 1 ASSI { 1924} (( segid " " and resid 422 and name HN )) ( segid " " and resid 420 and name HG1%) 3.900 1.900 1.900 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.32261E-03 ppm1 8.295 ppm2 0.863 CV 1 ASSI { 1925} (( segid " " and resid 424 and name HN )) (( segid " " and resid 425 and name HN )) 2.700 0.900 0.900 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.23781E-02 ppm1 8.106 ppm2 8.273 CV 1 ASSI { 1928} (( segid " " and resid 422 and name HN )) (( segid " " and resid 420 and name HN )) 4.400 2.400 1.600 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.19203E-03 ppm1 8.295 ppm2 7.691 CV 1 ASSI { 1929} (( segid " " and resid 423 and name HN )) (( segid " " and resid 423 and name HD1 )) 4.500 2.500 1.500 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.27806E-03 ppm1 7.952 ppm2 1.595 CV 1 OR { 1929} (( segid " " and resid 423 and name HN )) (( segid " " and resid 423 and name HD2 )) ASSI { 1931} (( segid " " and resid 423 and name HN )) (( segid " " and resid 420 and name HA )) 4.000 2.000 2.000 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.26577E-03 ppm1 7.952 ppm2 3.876 CV 1 ASSI { 1933} (( segid " " and resid 423 and name HN )) ( segid " " and resid 420 and name HG1%) 4.200 2.200 1.800 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.21046E-03 ppm1 7.952 ppm2 0.869 CV 1 ASSI { 1935} (( segid " " and resid 423 and name HN )) (( segid " " and resid 422 and name HG1 )) 4.800 2.900 1.200 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.15209E-03 ppm1 7.952 ppm2 2.248 CV 1 ASSI { 1936} (( segid " " and resid 423 and name HN )) (( segid " " and resid 422 and name HG2 )) 4.800 2.900 1.200 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.14134E-03 ppm1 7.952 ppm2 2.179 CV 1 ASSI { 1938} (( segid " " and resid 423 and name HN )) (( segid " " and resid 419 and name HA )) 4.600 2.600 1.400 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.12444E-03 ppm1 7.955 ppm2 4.442 CV 1 ASSI { 1939} (( segid " " and resid 422 and name HN )) (( segid " " and resid 419 and name HB2 )) 4.200 2.200 1.800 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.93712E-04 ppm1 8.293 ppm2 2.599 CV 1 ASSI { 1943} (( segid " " and resid 424 and name HN )) (( segid " " and resid 421 and name HA )) 4.000 2.000 2.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.24119E-03 ppm1 8.109 ppm2 3.993 CV 1 ASSI { 1945} (( segid " " and resid 424 and name HN )) (( segid " " and resid 420 and name HA )) 4.300 2.300 1.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.17974E-03 ppm1 8.108 ppm2 3.859 CV 1 ASSI { 2042} (( segid " " and resid 378 and name HN )) (( segid " " and resid 377 and name HA )) 2.600 0.900 0.900 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.30571E-02 ppm1 8.380 ppm2 4.203 CV 1 ASSI { 2043} (( segid " " and resid 378 and name HN )) (( segid " " and resid 378 and name HB2 )) 3.000 1.100 1.100 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.16207E-02 ppm1 8.380 ppm2 1.875 CV 1 ASSI { 2044} (( segid " " and resid 378 and name HN )) (( segid " " and resid 378 and name HG2 )) 3.900 1.900 1.900 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.53613E-03 ppm1 8.380 ppm2 2.202 CV 1 OR { 2044} (( segid " " and resid 378 and name HN )) (( segid " " and resid 378 and name HG1 )) ASSI { 2052} (( segid " " and resid 376 and name HN )) (( segid " " and resid 375 and name HA )) 3.000 1.100 1.100 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.15516E-02 ppm1 8.439 ppm2 4.220 CV 1 ASSI { 2054} (( segid " " and resid 377 and name HN )) (( segid " " and resid 377 and name HB )) 3.400 1.500 1.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.92633E-03 ppm1 8.170 ppm2 4.157 CV 1 ASSI { 2056} (( segid " " and resid 376 and name HN )) (( segid " " and resid 376 and name HG2 )) 4.000 2.000 2.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.37484E-03 ppm1 8.439 ppm2 2.294 CV 1 OR { 2056} (( segid " " and resid 376 and name HN )) (( segid " " and resid 376 and name HG1 )) ASSI { 2057} (( segid " " and resid 435 and name HN )) (( segid " " and resid 434 and name HA )) 2.700 0.900 0.900 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.25763E-02 ppm1 8.345 ppm2 4.225 CV 1 ASSI { 2058} (( segid " " and resid 375 and name HN )) (( segid " " and resid 375 and name HB1 )) 3.600 1.600 1.600 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.91099E-03 ppm1 8.358 ppm2 1.909 CV 1 ASSI { 2059} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HN )) 4.100 2.100 1.900 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.33797E-03 ppm1 8.170 ppm2 8.419 CV 1 ASSI { 2061} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HB2 )) 4.200 2.200 1.800 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.30571E-03 ppm1 8.170 ppm2 2.033 CV 1 ASSI { 2062} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HB1 )) 4.200 2.200 1.800 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.29188E-03 ppm1 8.170 ppm2 1.936 CV 1 ASSI { 2063} (( segid " " and resid 435 and name HN )) (( segid " " and resid 434 and name HB1 )) 3.900 1.900 1.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.48238E-03 ppm1 8.346 ppm2 1.717 CV 1 ASSI { 2064} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HG1 )) 4.700 2.700 1.300 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.17667E-03 ppm1 8.169 ppm2 2.293 CV 1 OR { 2064} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HG2 )) ASSI { 2069} (( segid " " and resid 375 and name HN )) (( segid " " and resid 374 and name HB1 )) 3.700 1.700 1.700 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.48238E-03 ppm1 8.358 ppm2 1.700 CV 1 OR { 2069} (( segid " " and resid 375 and name HN )) (( segid " " and resid 374 and name HB2 )) ASSI { 2070} (( segid " " and resid 375 and name HN )) (( segid " " and resid 375 and name HG2 )) 4.000 2.000 2.000 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.33797E-03 ppm1 8.358 ppm2 2.284 CV 1 OR { 2070} (( segid " " and resid 375 and name HN )) (( segid " " and resid 375 and name HG1 )) ASSI { 2071} (( segid " " and resid 439 and name HN )) (( segid " " and resid 438 and name HA )) 3.200 1.200 1.200 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 8.323 ppm2 4.194 CV 1 ASSI { 2072} (( segid " " and resid 439 and name HN )) (( segid " " and resid 439 and name HB1 )) 3.700 1.700 1.700 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.50390E-03 ppm1 8.323 ppm2 2.719 CV 1 ASSI { 2074} (( segid " " and resid 439 and name HN )) ( segid " " and resid 438 and name HB% ) 4.500 2.500 1.500 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.21200E-03 ppm1 8.325 ppm2 1.282 CV 1 ASSI { 2076} (( segid " " and resid 375 and name HN )) (( segid " " and resid 374 and name HG2 )) 4.600 2.700 1.400 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.16591E-03 ppm1 8.355 ppm2 1.340 CV 1 OR { 2076} (( segid " " and resid 375 and name HN )) (( segid " " and resid 374 and name HG1 )) ASSI { 2080} (( segid " " and resid 435 and name HN )) (( segid " " and resid 435 and name HB1 )) 3.500 1.500 1.500 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.90945E-03 ppm1 8.343 ppm2 2.508 CV 1 ASSI { 2091} (( segid " " and resid 434 and name HN )) (( segid " " and resid 433 and name HA2 )) 2.800 1.000 1.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.23688E-02 ppm1 8.072 ppm2 3.870 CV 1 OR { 2091} (( segid " " and resid 434 and name HN )) (( segid " " and resid 433 and name HA1 )) ASSI { 2094} (( segid " " and resid 438 and name HN )) (( segid " " and resid 437 and name HB2 )) 4.100 2.100 1.900 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.29957E-03 ppm1 8.101 ppm2 1.731 CV 1 OR { 2094} (( segid " " and resid 438 and name HN )) (( segid " " and resid 437 and name HB1 )) ASSI { 2095} (( segid " " and resid 434 and name HN )) (( segid " " and resid 434 and name HB2 )) 3.000 1.100 1.100 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.14456E-02 ppm1 8.071 ppm2 1.676 CV 1 ASSI { 2097} (( segid " " and resid 438 and name HN )) (( segid " " and resid 435 and name HB2 )) 3.900 1.900 1.900 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.13826E-03 ppm1 8.100 ppm2 2.642 CV 1 ASSI { 2098} (( segid " " and resid 434 and name HN )) (( segid " " and resid 434 and name HA )) 3.100 1.200 1.200 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 8.071 ppm2 4.229 CV 1 ASSI { 2100} (( segid " " and resid 431 and name HN )) (( segid " " and resid 430 and name HN )) 3.000 1.100 1.100 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 8.053 ppm2 8.307 CV 1 ASSI { 2101} (( segid " " and resid 429 and name HN )) (( segid " " and resid 428 and name HA )) 2.900 1.100 1.100 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 8.190 ppm2 4.339 CV 1 ASSI { 2106} (( segid " " and resid 434 and name HN )) (( segid " " and resid 434 and name HG1 )) 3.700 1.700 1.700 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.59147E-03 ppm1 8.072 ppm2 1.292 CV 1 OR { 2106} (( segid " " and resid 434 and name HN )) (( segid " " and resid 434 and name HG2 )) ASSI { 2107} (( segid " " and resid 429 and name HN )) (( segid " " and resid 429 and name HB2 )) 3.100 1.200 1.200 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.13949E-02 ppm1 8.190 ppm2 1.712 CV 1 ASSI { 2109} (( segid " " and resid 429 and name HN )) (( segid " " and resid 428 and name HB1 )) 3.600 1.600 1.600 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.66978E-03 ppm1 8.190 ppm2 3.820 CV 1 OR { 2109} (( segid " " and resid 429 and name HN )) (( segid " " and resid 428 and name HB2 )) ASSI { 2113} (( segid " " and resid 429 and name HN )) (( segid " " and resid 430 and name HB1 )) 3.900 1.900 1.900 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.72051E-03 ppm1 8.188 ppm2 1.966 CV 1 ASSI { 2115} (( segid " " and resid 431 and name HN )) (( segid " " and resid 430 and name HG2 )) 4.000 2.000 2.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.40864E-03 ppm1 8.056 ppm2 2.212 CV 1 OR { 2115} (( segid " " and resid 431 and name HN )) (( segid " " and resid 430 and name HG1 )) ASSI { 2116} (( segid " " and resid 428 and name HN )) (( segid " " and resid 427 and name HA )) 2.800 1.000 1.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.28574E-02 ppm1 8.192 ppm2 4.166 CV 1 ASSI { 2119} (( segid " " and resid 428 and name HN )) (( segid " " and resid 427 and name HB2 )) 3.500 1.500 1.500 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.76041E-03 ppm1 8.192 ppm2 1.942 CV 1 OR { 2119} (( segid " " and resid 428 and name HN )) (( segid " " and resid 427 and name HB1 )) ASSI { 2126} (( segid " " and resid 428 and name HN )) (( segid " " and resid 427 and name HG1 )) 4.800 2.900 1.200 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.14901E-03 ppm1 8.192 ppm2 2.242 CV 1 OR { 2126} (( segid " " and resid 428 and name HN )) (( segid " " and resid 427 and name HG2 )) ASSI { 2127} (( segid " " and resid 428 and name HN )) (( segid " " and resid 426 and name HB1 )) 4.000 2.000 2.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.12136E-03 ppm1 8.194 ppm2 1.757 CV 1 OR { 2127} (( segid " " and resid 428 and name HN )) (( segid " " and resid 426 and name HB2 )) ASSI { 2128} (( segid " " and resid 428 and name HN )) (( segid " " and resid 429 and name HG1 )) 5.100 3.200 0.900 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.11983E-03 ppm1 8.192 ppm2 1.357 CV 1 OR { 2128} (( segid " " and resid 428 and name HN )) (( segid " " and resid 429 and name HG2 )) ASSI { 2418} (( segid " " and resid 373 and name HN )) (( segid " " and resid 373 and name HB1 )) 4.700 2.700 1.300 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.14134E-03 ppm1 8.456 ppm2 1.697 CV 1 ASSI { 2434} (( segid " " and resid 374 and name HN )) (( segid " " and resid 373 and name HA )) 3.100 1.200 1.200 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 8.320 ppm2 4.237 CV 1 ASSI { 2525} (( segid " " and resid 394 and name HE22)) (( segid " " and resid 394 and name HE21)) 1.700 0.300 0.500 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.22389E-01 ppm1 6.592 ppm2 7.396 CV 1 ASSI { 2527} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 394 and name HG1 )) 2.800 1.000 1.000 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.16515E-02 ppm1 7.399 ppm2 1.421 CV 1 ASSI { 2533} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 394 and name HG2 )) 3.000 1.100 1.100 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 7.399 ppm2 1.209 CV 1 ASSI { 2535} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 388 and name HD21)) 1.700 0.300 0.500 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.16805E-01 ppm1 7.282 ppm2 7.715 CV 1 ASSI { 2536} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 394 and name HB2 )) 4.400 2.400 1.600 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.19971E-03 ppm1 7.398 ppm2 0.795 CV 1 ASSI { 2537} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 407 and name HB2 )) 4.200 2.300 1.800 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.19357E-03 ppm1 7.399 ppm2 2.960 CV 1 ASSI { 2540} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 399 and name HD21)) 1.500 0.300 0.700 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.30041E-01 ppm1 6.791 ppm2 7.476 CV 1 ASSI { 2541} (( segid " " and resid 394 and name HE22)) (( segid " " and resid 394 and name HG1 )) 4.000 2.000 2.000 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.81268E-03 ppm1 6.592 ppm2 1.411 CV 1 ASSI { 2542} (( segid " " and resid 440 and name HN )) ( segid " " and resid 440 and name HG2%) 4.900 3.000 1.100 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.10139E-03 ppm1 8.106 ppm2 1.115 CV 1 ASSI { 2546} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 407 and name HB1 )) 4.300 2.300 1.700 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.15670E-03 ppm1 7.399 ppm2 2.620 CV 1 ASSI { 2547} (( segid " " and resid 441 and name HN )) (( segid " " and resid 440 and name HA )) 3.800 1.800 1.800 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.37638E-03 ppm1 8.137 ppm2 4.338 CV 1 ASSI { 2548} (( segid " " and resid 394 and name HE22)) (( segid " " and resid 394 and name HG2 )) 4.200 2.200 1.800 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.59147E-03 ppm1 6.592 ppm2 1.208 CV 1 ASSI { 2550} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 398 and name HG2 )) 4.400 2.500 1.600 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.14440E-03 ppm1 7.399 ppm2 2.343 CV 1 ASSI { 2559} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 388 and name HA )) 4.400 2.400 1.600 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.12366E-02 ppm1 7.282 ppm2 4.456 CV 1 ASSI { 2562} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 394 and name HA )) 5.200 3.400 0.800 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.11368E-03 ppm1 7.399 ppm2 2.759 CV 1 ASSI { 2568} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 398 and name HG1 )) 4.500 2.600 1.500 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.99855E-04 ppm1 7.399 ppm2 2.196 CV 1 ASSI { 2574} (( segid " " and resid 412 and name HD21)) (( segid " " and resid 412 and name HD22)) 1.700 0.300 0.500 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.22389E-01 ppm1 7.447 ppm2 6.891 CV 1 ASSI { 2577} (( segid " " and resid 399 and name HD21)) (( segid " " and resid 399 and name HB1 )) 3.000 1.100 1.100 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.16192E-02 ppm1 7.477 ppm2 2.803 CV 1 ASSI { 2579} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 384 and name HB2 )) 3.300 3.300 2.700 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.11829E-02 ppm1 7.282 ppm2 2.002 CV 1 OR { 2579} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 384 and name HB1 )) ASSI { 2581} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 388 and name HN )) 4.200 2.200 1.800 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.46240E-03 ppm1 7.283 ppm2 8.651 CV 1 ASSI { 2587} (( segid " " and resid 394 and name HE22)) (( segid " " and resid 394 and name HB2 )) 5.100 3.200 0.900 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.13519E-03 ppm1 6.591 ppm2 0.791 CV 1 ASSI { 2590} (( segid " " and resid 394 and name HE22)) (( segid " " and resid 407 and name HB2 )) 4.000 2.000 2.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.11522E-03 ppm1 6.592 ppm2 2.980 CV 1 ASSI { 2592} (( segid " " and resid 399 and name HD21)) ( segid " " and resid 396 and name HB% ) 4.400 2.400 1.600 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.49467E-03 ppm1 7.477 ppm2 1.341 CV 1 ASSI { 2596} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 415 and name HG1 )) 4.100 2.100 1.900 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.26116E-03 ppm1 7.283 ppm2 1.851 CV 1 OR { 2596} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 415 and name HG2 )) ASSI { 2597} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 385 and name HA )) 3.300 3.300 2.700 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.36255E-03 ppm1 7.282 ppm2 3.873 CV 1 ASSI { 2599} (( segid " " and resid 412 and name HD21)) (( segid " " and resid 412 and name HB2 )) 2.800 1.000 1.000 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.26515E-02 ppm1 7.447 ppm2 3.181 CV 1 ASSI { 2603} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 384 and name HB2 )) 4.200 2.200 1.800 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.45780E-03 ppm1 7.713 ppm2 2.001 CV 1 OR { 2603} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 384 and name HB1 )) ASSI { 2605} (( segid " " and resid 412 and name HD21)) (( segid " " and resid 412 and name HB1 )) 2.900 1.100 1.100 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.11322E-02 ppm1 7.447 ppm2 2.437 CV 1 ASSI { 2607} (( segid " " and resid 399 and name HD21)) ( segid " " and resid 400 and name HD1%) 5.000 3.100 1.000 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.14134E-03 ppm1 7.477 ppm2 0.712 CV 1 ASSI { 2608} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 415 and name HG1 )) 4.100 2.100 1.900 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.34258E-03 ppm1 7.713 ppm2 1.846 CV 1 OR { 2608} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 415 and name HG2 )) ASSI { 2609} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 399 and name HB1 )) 3.800 1.800 1.800 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 6.790 ppm2 2.806 CV 1 ASSI { 2613} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 387 and name HB1 )) 5.300 3.500 0.700 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.11061E-03 ppm1 7.280 ppm2 2.467 CV 1 ASSI { 2616} (( segid " " and resid 399 and name HD21)) (( segid " " and resid 395 and name HD1 )) 4.000 2.000 2.000 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.11215E-03 ppm1 7.478 ppm2 1.560 CV 1 OR { 2616} (( segid " " and resid 399 and name HD21)) (( segid " " and resid 395 and name HD2 )) ASSI { 2620} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 387 and name HB1 )) 4.300 2.300 1.700 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.19357E-03 ppm1 7.713 ppm2 2.467 CV 1 ASSI { 2621} (( segid " " and resid 412 and name HD21)) (( segid " " and resid 392 and name HB1 )) 3.900 1.900 1.900 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.33951E-03 ppm1 7.447 ppm2 2.713 CV 1 ASSI { 2622} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 396 and name HA )) 4.200 2.200 1.800 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.59914E-03 ppm1 6.790 ppm2 3.972 CV 1 ASSI { 2623} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 413 and name HG2 )) 4.200 2.200 1.800 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.15670E-03 ppm1 7.712 ppm2 1.045 CV 1 OR { 2623} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 413 and name HG1 )) ASSI { 2626} (( segid " " and resid 412 and name HD21)) (( segid " " and resid 412 and name HA )) 4.500 2.500 1.500 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.19510E-03 ppm1 7.448 ppm2 3.964 CV 1 ASSI { 2628} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 382 and name HD22)) 1.500 0.300 0.700 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.23851E-01 ppm1 7.688 ppm2 6.959 CV 1 ASSI { 2629} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 395 and name HB1 )) 3.900 1.900 1.900 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.21507E-03 ppm1 6.790 ppm2 1.712 CV 1 ASSI { 2630} (( segid " " and resid 439 and name HD21)) (( segid " " and resid 439 and name HD22)) 1.600 0.300 0.600 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.33461E-01 ppm1 7.540 ppm2 6.846 CV 1 ASSI { 2631} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 395 and name HD2 )) 3.800 1.800 1.800 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.15209E-03 ppm1 6.790 ppm2 1.558 CV 1 OR { 2631} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 395 and name HD1 )) ASSI { 2633} (( segid " " and resid 412 and name HD21)) (( segid " " and resid 392 and name HA )) 4.500 2.500 1.500 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.12136E-03 ppm1 7.446 ppm2 4.808 CV 1 ASSI { 2634} (( segid " " and resid 412 and name HD22)) (( segid " " and resid 412 and name HB2 )) 3.600 1.600 1.600 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.18235E-02 ppm1 6.893 ppm2 3.176 CV 1 ASSI { 2637} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 382 and name HB2 )) 2.600 0.800 0.800 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.27637E-02 ppm1 7.688 ppm2 2.789 CV 1 OR { 2637} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 382 and name HB1 )) ASSI { 2639} (( segid " " and resid 412 and name HD22)) (( segid " " and resid 412 and name HB1 )) 4.200 2.200 1.800 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.71898E-03 ppm1 6.893 ppm2 2.437 CV 1 ASSI { 2643} (( segid " " and resid 393 and name HD21)) (( segid " " and resid 393 and name HD22)) 1.800 0.400 0.400 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.12133E-01 ppm1 7.666 ppm2 6.859 CV 1 ASSI { 2645} (( segid " " and resid 412 and name HD22)) (( segid " " and resid 412 and name HA )) 5.000 3.100 1.000 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.14748E-03 ppm1 6.893 ppm2 3.955 CV 1 ASSI { 2647} (( segid " " and resid 412 and name HD22)) (( segid " " and resid 392 and name HA )) 3.900 1.900 1.900 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.13365E-03 ppm1 6.893 ppm2 4.807 CV 1 ASSI { 2648} (( segid " " and resid 439 and name HD21)) (( segid " " and resid 439 and name HB1 )) 3.900 1.900 1.900 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.25962E-03 ppm1 7.540 ppm2 2.697 CV 1 ASSI { 2649} (( segid " " and resid 393 and name HD21)) (( segid " " and resid 393 and name HB1 )) 2.600 0.900 0.900 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.18158E-02 ppm1 7.668 ppm2 2.646 CV 1 ASSI { 2651} (( segid " " and resid 408 and name HD21)) (( segid " " and resid 408 and name HD22)) 1.900 0.400 0.400 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.97227E-02 ppm1 8.081 ppm2 6.866 CV 1 ASSI { 2652} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 382 and name HA )) 4.300 2.300 1.700 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.34412E-03 ppm1 7.688 ppm2 4.485 CV 1 ASSI { 2654} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 383 and name HD1 )) 4.300 2.300 1.700 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.29649E-03 ppm1 7.689 ppm2 1.601 CV 1 OR { 2654} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 383 and name HD2 )) ASSI { 2659} (( segid " " and resid 393 and name HD21)) ( segid " " and resid 396 and name HB% ) 3.300 1.300 1.300 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.96935E-03 ppm1 7.667 ppm2 1.355 CV 1 ASSI { 2662} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 383 and name HD1 )) 3.600 1.600 1.600 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.26884E-03 ppm1 6.958 ppm2 1.601 CV 1 OR { 2662} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 383 and name HD2 )) ASSI { 2663} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 385 and name HB2 )) 4.900 3.000 1.100 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.23351E-03 ppm1 6.959 ppm2 1.853 CV 1 OR { 2663} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 385 and name HB1 )) ASSI { 2664} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 378 and name HG1 )) 3.800 1.800 1.800 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.17513E-03 ppm1 7.688 ppm2 2.208 CV 1 OR { 2664} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 378 and name HG2 )) ASSI { 2666} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 378 and name HA )) 4.300 2.300 1.700 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.15516E-03 ppm1 7.688 ppm2 4.325 CV 1 ASSI { 2670} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 383 and name HN )) 4.100 2.100 1.900 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.12444E-03 ppm1 7.689 ppm2 8.178 CV 1 ASSI { 2671} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 378 and name HB1 )) 4.000 2.000 2.000 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.11829E-03 ppm1 7.688 ppm2 1.959 CV 1 ASSI { 2672} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 379 and name HB2 )) 5.800 4.200 0.200 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.10907E-03 ppm1 7.689 ppm2 3.991 CV 1 ASSI { 2673} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 379 and name HB1 )) 5.800 4.200 0.200 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.10754E-03 ppm1 7.687 ppm2 3.836 CV 1 ASSI { 2674} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 382 and name HA )) 5.300 3.500 0.700 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.22122E-03 ppm1 6.957 ppm2 4.486 CV 1 ASSI { 2676} (( segid " " and resid 382 and name HD22)) ( segid " " and resid 386 and name HD1%) 4.500 2.500 1.500 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.19510E-03 ppm1 6.958 ppm2 0.774 CV 1 ASSI { 2678} (( segid " " and resid 408 and name HD22)) (( segid " " and resid 408 and name HB2 )) 3.600 1.700 1.700 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.16084E-02 ppm1 6.865 ppm2 2.217 CV 1 ASSI { 2680} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 382 and name HN )) 5.500 3.800 0.500 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.22583E-03 ppm1 6.957 ppm2 8.066 CV 1 ASSI { 2681} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 378 and name HG1 )) 3.800 1.800 1.800 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.16284E-03 ppm1 6.957 ppm2 2.204 CV 1 OR { 2681} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 378 and name HG2 )) ASSI { 2683} (( segid " " and resid 393 and name HD21)) (( segid " " and resid 395 and name HB2 )) 4.400 2.400 1.600 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.16745E-03 ppm1 7.667 ppm2 1.718 CV 1 OR { 2683} (( segid " " and resid 393 and name HD21)) (( segid " " and resid 395 and name HB1 )) ASSI { 2687} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 378 and name HA )) 4.100 2.100 1.900 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.98321E-04 ppm1 6.957 ppm2 4.323 CV 1 ASSI { 2688} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 383 and name HG2 )) 5.800 4.200 0.200 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.98321E-04 ppm1 6.959 ppm2 1.368 CV 1 OR { 2688} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 383 and name HG1 )) ASSI { 2689} (( segid " " and resid 408 and name HD21)) (( segid " " and resid 408 and name HA )) 4.000 2.000 2.000 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.40710E-03 ppm1 8.081 ppm2 4.574 CV 1 ASSI { 2691} (( segid " " and resid 408 and name HD21)) (( segid " " and resid 410 and name HB2 )) 4.600 2.600 1.400 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.33182E-03 ppm1 8.081 ppm2 1.999 CV 1 OR { 2691} (( segid " " and resid 408 and name HD21)) (( segid " " and resid 410 and name HB1 )) ASSI { 2692} (( segid " " and resid 408 and name HD21)) (( segid " " and resid 411 and name HB1 )) 3.900 1.900 1.900 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.27192E-03 ppm1 8.082 ppm2 3.559 CV 1 OR { 2692} (( segid " " and resid 408 and name HD21)) (( segid " " and resid 411 and name HB2 )) ASSI { 2693} (( segid " " and resid 393 and name HD22)) (( segid " " and resid 393 and name HB2 )) 4.100 2.100 1.900 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.77427E-03 ppm1 6.859 ppm2 3.308 CV 1 ASSI { 2694} (( segid " " and resid 408 and name HD21)) (( segid " " and resid 410 and name HN )) 4.400 2.500 1.600 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.18895E-03 ppm1 8.081 ppm2 8.354 CV 1 ASSI { 2699} (( segid " " and resid 408 and name HD22)) (( segid " " and resid 408 and name HB1 )) 3.900 1.900 1.900 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.10262E-02 ppm1 6.865 ppm2 3.056 CV 1 ASSI { 2706} (( segid " " and resid 408 and name HD22)) (( segid " " and resid 411 and name HB1 )) 4.100 2.100 1.900 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.41325E-03 ppm1 6.866 ppm2 3.558 CV 1 OR { 2706} (( segid " " and resid 408 and name HD22)) (( segid " " and resid 411 and name HB2 )) ASSI { 2712} (( segid " " and resid 408 and name HD22)) (( segid " " and resid 411 and name HN )) 4.100 2.100 1.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.23197E-03 ppm1 6.866 ppm2 7.301 CV 1 ASSI { 2713} (( segid " " and resid 408 and name HD22)) (( segid " " and resid 410 and name HN )) 4.200 2.200 1.800 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.22275E-03 ppm1 6.865 ppm2 8.350 CV 1 ASSI { 2908} (( segid " " and resid 430 and name HN )) (( segid " " and resid 430 and name HB2 )) 2.900 1.100 1.100 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.17882E-02 ppm1 8.311 ppm2 1.895 CV 1 ASSI { 2909} (( segid " " and resid 433 and name HN )) (( segid " " and resid 433 and name HA2 )) 2.800 1.000 1.000 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.22567E-02 ppm1 8.423 ppm2 3.863 CV 1 OR { 2909} (( segid " " and resid 433 and name HN )) (( segid " " and resid 433 and name HA1 )) ASSI { 2913} (( segid " " and resid 432 and name HN )) (( segid " " and resid 432 and name HB2 )) 2.900 1.100 1.100 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.15823E-02 ppm1 8.272 ppm2 1.905 CV 1 ASSI { 2916} (( segid " " and resid 433 and name HN )) (( segid " " and resid 432 and name HB1 )) 4.100 2.100 1.900 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.28113E-03 ppm1 8.424 ppm2 1.958 CV 1 ASSI { 2920} (( segid " " and resid 430 and name HN )) (( segid " " and resid 430 and name HG1 )) 3.700 1.800 1.800 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.69591E-03 ppm1 8.311 ppm2 2.214 CV 1 OR { 2920} (( segid " " and resid 430 and name HN )) (( segid " " and resid 430 and name HG2 )) ASSI { 2921} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HB2 )) 3.800 1.800 1.800 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.43168E-03 ppm1 8.311 ppm2 1.734 CV 1 ASSI { 2923} (( segid " " and resid 433 and name HN )) (( segid " " and resid 432 and name HG2 )) 5.000 3.100 1.000 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.13211E-03 ppm1 8.423 ppm2 2.197 CV 1 OR { 2923} (( segid " " and resid 433 and name HN )) (( segid " " and resid 432 and name HG1 )) ASSI { 2926} (( segid " " and resid 433 and name HN )) ( segid " " and resid 431 and name HG2%) 4.100 2.100 1.900 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.10754E-03 ppm1 8.425 ppm2 1.123 CV 1 ASSI { 2929} (( segid " " and resid 427 and name HN )) (( segid " " and resid 426 and name HB1 )) 3.100 1.200 1.200 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.15485E-02 ppm1 8.266 ppm2 1.760 CV 1 OR { 2929} (( segid " " and resid 427 and name HN )) (( segid " " and resid 426 and name HB2 )) ASSI { 2931} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HG2 )) 4.600 2.600 1.400 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.19510E-03 ppm1 8.310 ppm2 1.365 CV 1 OR { 2931} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HG1 )) ASSI { 2935} (( segid " " and resid 430 and name HN )) (( segid " " and resid 428 and name HB1 )) 4.300 2.300 1.700 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.12905E-03 ppm1 8.311 ppm2 3.818 CV 1 OR { 2935} (( segid " " and resid 430 and name HN )) (( segid " " and resid 428 and name HB2 )) ASSI { 2938} (( segid " " and resid 426 and name HN )) (( segid " " and resid 426 and name HB2 )) 2.700 0.900 0.900 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.34304E-02 ppm1 8.100 ppm2 1.755 CV 1 OR { 2938} (( segid " " and resid 426 and name HN )) (( segid " " and resid 426 and name HB1 )) ASSI { 2939} (( segid " " and resid 426 and name HN )) (( segid " " and resid 425 and name HN )) 2.600 0.800 0.800 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.31877E-02 ppm1 8.099 ppm2 8.268 CV 1 ASSI { 2940} (( segid " " and resid 425 and name HN )) (( segid " " and resid 424 and name HB1 )) 2.900 1.100 1.100 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.17590E-02 ppm1 8.255 ppm2 1.637 CV 1 OR { 2940} (( segid " " and resid 425 and name HN )) (( segid " " and resid 424 and name HB2 )) ASSI { 2941} (( segid " " and resid 426 and name HN )) (( segid " " and resid 425 and name HB1 )) 3.000 1.100 1.100 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 8.100 ppm2 1.925 CV 1 OR { 2941} (( segid " " and resid 426 and name HN )) (( segid " " and resid 425 and name HB2 )) ASSI { 2943} (( segid " " and resid 425 and name HN )) (( segid " " and resid 424 and name HG )) 3.400 1.400 1.400 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.86951E-03 ppm1 8.255 ppm2 1.469 CV 1 ASSI { 2945} (( segid " " and resid 437 and name HN )) (( segid " " and resid 437 and name HG2 )) 3.600 1.600 1.600 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.74967E-03 ppm1 8.252 ppm2 1.333 CV 1 OR { 2945} (( segid " " and resid 437 and name HN )) (( segid " " and resid 437 and name HG1 )) ASSI { 13} (( segid " " and resid 414 and name HA )) (( segid " " and resid 406 and name HN )) 3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.72502E-03 ppm1 4.855 ppm2 9.688 CV 1 ASSI { 20} (( segid " " and resid 386 and name HA )) (( segid " " and resid 387 and name HN )) 2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.34643E-02 ppm1 3.666 ppm2 7.425 CV 1 ASSI { 23} (( segid " " and resid 421 and name HN )) (( segid " " and resid 422 and name HN )) 2.400 0.700 0.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.46643E-02 ppm1 8.161 ppm2 8.290 CV 1 ASSI { 31} (( segid " " and resid 424 and name HN )) (( segid " " and resid 423 and name HA )) 2.400 2.400 3.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.81392E-02 ppm1 8.093 ppm2 4.134 CV 1 ASSI { 38} (( segid " " and resid 386 and name HN )) (( segid " " and resid 385 and name HN )) 2.300 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.53786E-02 ppm1 7.455 ppm2 7.599 CV 1 ASSI { 217} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HB1 )) 3.500 1.500 1.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.23393E-02 ppm1 3.974 ppm2 2.800 CV 1 ASSI { 219} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HB2 )) 2.900 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.32965E-02 ppm1 3.974 ppm2 2.853 CV 1 ASSI { 246} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 409 and name HN )) 3.700 1.800 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.18572E-02 ppm1 2.220 ppm2 8.405 CV 1 ASSI { 251} (( segid " " and resid 397 and name HB2 )) (( segid " " and resid 394 and name HA )) 2.800 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.25714E-02 ppm1 3.056 ppm2 2.766 CV 1 ASSI { 263} (( segid " " and resid 431 and name HN )) (( segid " " and resid 432 and name HN )) 2.500 0.800 0.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.47643E-02 ppm1 8.045 ppm2 8.264 CV 1 ASSI { 290} (( segid " " and resid 386 and name HG11)) (( segid " " and resid 386 and name HA )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.29607E-02 ppm1 1.586 ppm2 3.670 CV 1 ASSI { 305} (( segid " " and resid 388 and name HB2 )) (( segid " " and resid 385 and name HA )) 2.400 0.700 0.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.63429E-02 ppm1 2.749 ppm2 3.891 CV 1 OR { 305} (( segid " " and resid 388 and name HB1 )) (( segid " " and resid 385 and name HA )) ASSI { 307} (( segid " " and resid 386 and name HB )) (( segid " " and resid 386 and name HA )) 2.800 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.29500E-02 ppm1 2.008 ppm2 3.660 CV 1 ASSI { 311} (( segid " " and resid 386 and name HG12)) (( segid " " and resid 386 and name HA )) 2.600 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.26607E-02 ppm1 1.196 ppm2 3.672 CV 1 ASSI { 327} (( segid " " and resid 397 and name HB2 )) (( segid " " and resid 397 and name HA )) 2.800 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.17143E-02 ppm1 3.056 ppm2 4.058 CV 1 ASSI { 341} (( segid " " and resid 412 and name HA )) ( segid " " and resid 407 and name HE% ) 2.400 0.700 0.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.45215E-02 ppm1 3.971 ppm2 7.077 CV 1 ASSI { 345} ( segid " " and resid 409 and name HG2%) (( segid " " and resid 409 and name HA )) 2.200 0.600 0.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.13672E-01 ppm1 1.356 ppm2 3.936 CV 1 ASSI { 348} ( segid " " and resid 380 and name HB% ) (( segid " " and resid 380 and name HA )) 2.200 0.600 0.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.10375E-01 ppm1 1.353 ppm2 4.056 CV 1 ASSI { 349} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 396 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.91752E-02 ppm1 1.357 ppm2 3.979 CV 1 ASSI { 364} (( segid " " and resid 402 and name HN )) (( segid " " and resid 403 and name HN )) 3.000 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.14929E-02 ppm1 9.096 ppm2 7.588 CV 1 ASSI { 392} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 407 and name HZ )) 1.800 0.400 0.400 peak 392 spectrum 1 weight 0.10000E+01 volume 0.23093E-01 ppm1 7.078 ppm2 6.927 CV 1 ASSI { 424} ( segid " " and resid 407 and name HE% ) ( segid " " and resid 407 and name HD% ) 1.800 0.400 0.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.16482E-01 ppm1 7.078 ppm2 6.774 CV 1 ASSI { 437} (( segid " " and resid 434 and name HN )) (( segid " " and resid 433 and name HN )) 3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.20322E-02 ppm1 8.070 ppm2 8.413 CV 1 ASSI { 449} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HB2 )) 3.100 1.200 1.200 peak 449 spectrum 1 weight 0.10000E+01 volume 0.82857E-03 ppm1 4.853 ppm2 3.436 CV 1 ASSI { 452} (( segid " " and resid 412 and name HB1 )) (( segid " " and resid 412 and name HA )) 2.800 1.000 1.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.33500E-02 ppm1 2.443 ppm2 3.969 CV 1 ASSI { 453} (( segid " " and resid 413 and name HG2 )) (( segid " " and resid 413 and name HE1 )) 3.200 1.300 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.13321E-02 ppm1 1.058 ppm2 2.820 CV 1 OR { 453} (( segid " " and resid 413 and name HG2 )) (( segid " " and resid 413 and name HE2 )) OR { 453} (( segid " " and resid 413 and name HG1 )) (( segid " " and resid 413 and name HE2 )) OR { 453} (( segid " " and resid 413 and name HG1 )) (( segid " " and resid 413 and name HE1 )) ASSI { 473} (( segid " " and resid 386 and name HG12)) (( segid " " and resid 386 and name HB )) 3.400 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.11715E-02 ppm1 1.193 ppm2 2.019 CV 1 ASSI { 500} (( segid " " and resid 393 and name HB2 )) ( segid " " and resid 396 and name HB% ) 2.800 1.000 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.36857E-02 ppm1 3.308 ppm2 1.357 CV 1 ASSI { 503} (( segid " " and resid 400 and name HN )) (( segid " " and resid 401 and name HN )) 2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.58360E-02 ppm1 7.476 ppm2 7.560 CV 1 ASSI { 504} (( segid " " and resid 414 and name HB1 )) (( segid " " and resid 414 and name HB2 )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.38429E-02 ppm1 2.677 ppm2 3.438 CV 1 ASSI { 507} (( segid " " and resid 413 and name HE1 )) (( segid " " and resid 411 and name HB1 )) 2.900 2.900 3.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.90356E-03 ppm1 2.822 ppm2 3.557 CV 1 OR { 507} (( segid " " and resid 413 and name HE2 )) (( segid " " and resid 411 and name HB2 )) OR { 507} (( segid " " and resid 413 and name HE2 )) (( segid " " and resid 411 and name HB1 )) ASSI { 509} (( segid " " and resid 400 and name HN )) (( segid " " and resid 399 and name HN )) 2.300 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.55717E-02 ppm1 7.475 ppm2 7.625 CV 1 ASSI { 511} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 384 and name HA )) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.23929E-02 ppm1 0.779 ppm2 3.811 CV 1 ASSI { 512} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 384 and name HA )) 3.400 1.500 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 0.860 ppm2 3.811 CV 1 ASSI { 514} (( segid " " and resid 395 and name HB1 )) (( segid " " and resid 395 and name HA )) 2.300 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.73071E-02 ppm1 1.723 ppm2 3.877 CV 1 OR { 514} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 395 and name HA )) ASSI { 515} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HA )) 2.300 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.86500E-02 ppm1 0.881 ppm2 3.870 CV 1 OR { 515} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 420 and name HA )) ASSI { 516} (( segid " " and resid 410 and name HB1 )) (( segid " " and resid 410 and name HA )) 2.400 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.70250E-02 ppm1 2.018 ppm2 4.107 CV 1 OR { 516} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 410 and name HA )) ASSI { 517} (( segid " " and resid 387 and name HB2 )) (( segid " " and resid 384 and name HA )) 3.000 1.100 1.100 peak 517 spectrum 1 weight 0.10000E+01 volume 0.94643E-03 ppm1 2.634 ppm2 3.809 CV 1 ASSI { 518} (( segid " " and resid 387 and name HB1 )) (( segid " " and resid 384 and name HA )) 4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.84644E-03 ppm1 2.467 ppm2 3.809 CV 1 ASSI { 526} (( segid " " and resid 409 and name HB )) (( segid " " and resid 409 and name HA )) 2.200 0.600 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.10872E-01 ppm1 4.331 ppm2 3.934 CV 1 ASSI { 529} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HN )) 2.500 0.800 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.51395E-02 ppm1 8.310 ppm2 8.185 CV 1 ASSI { 530} (( segid " " and resid 411 and name HN )) (( segid " " and resid 410 and name HN )) 2.400 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.51108E-02 ppm1 7.299 ppm2 8.325 CV 1 ASSI { 531} (( segid " " and resid 384 and name HA )) (( segid " " and resid 416 and name HG )) 3.900 1.900 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 3.809 ppm2 1.015 CV 1 ASSI { 532} (( segid " " and resid 404 and name HN )) (( segid " " and resid 405 and name HN )) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.51074E-02 ppm1 7.740 ppm2 6.837 CV 1 ASSI { 533} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 407 and name HZ )) 2.900 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.50786E-02 ppm1 6.772 ppm2 6.927 CV 1 ASSI { 534} (( segid " " and resid 412 and name HN )) (( segid " " and resid 413 and name HN )) 2.500 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.50608E-02 ppm1 7.901 ppm2 6.800 CV 1 ASSI { 536} (( segid " " and resid 388 and name HN )) (( segid " " and resid 387 and name HN )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.48358E-02 ppm1 8.647 ppm2 7.426 CV 1 ASSI { 540} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 393 and name HB2 )) 2.100 0.500 0.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.47571E-02 ppm1 2.650 ppm2 3.310 CV 1 ASSI { 543} (( segid " " and resid 388 and name HN )) (( segid " " and resid 389 and name HN )) 2.400 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.46072E-02 ppm1 8.647 ppm2 7.551 CV 1 ASSI { 545} (( segid " " and resid 390 and name HN )) (( segid " " and resid 389 and name HN )) 2.400 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.45965E-02 ppm1 7.174 ppm2 7.551 CV 1 ASSI { 546} (( segid " " and resid 391 and name HN )) (( segid " " and resid 390 and name HN )) 2.400 0.700 0.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.45000E-02 ppm1 7.944 ppm2 7.175 CV 1 ASSI { 547} (( segid " " and resid 414 and name HB2 )) ( segid " " and resid 390 and name HB% ) 2.800 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.33786E-02 ppm1 3.438 ppm2 1.357 CV 1 ASSI { 549} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 407 and name HB1 )) 2.000 0.500 0.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.52499E-02 ppm1 2.967 ppm2 2.610 CV 1 ASSI { 550} (( segid " " and resid 392 and name HB1 )) (( segid " " and resid 392 and name HB2 )) 2.000 0.500 0.500 peak 550 spectrum 1 weight 0.10000E+01 volume 0.70250E-02 ppm1 2.710 ppm2 3.108 CV 1 ASSI { 551} ( segid " " and resid 406 and name HG2%) (( segid " " and resid 417 and name HA )) 2.600 0.800 0.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.49322E-02 ppm1 0.810 ppm2 4.068 CV 1 OR { 551} ( segid " " and resid 406 and name HG1%) (( segid " " and resid 417 and name HA )) ASSI { 552} (( segid " " and resid 404 and name HN )) (( segid " " and resid 403 and name HN )) 2.500 0.800 0.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.43786E-02 ppm1 7.740 ppm2 7.586 CV 1 ASSI { 554} (( segid " " and resid 417 and name HB2 )) (( segid " " and resid 417 and name HN )) 2.400 0.700 0.700 peak 554 spectrum 1 weight 0.10000E+01 volume 0.57355E-02 ppm1 1.677 ppm2 8.520 CV 1 ASSI { 559} (( segid " " and resid 384 and name HG2 )) ( segid " " and resid 416 and name HD2%) 3.100 1.200 1.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.23072E-02 ppm1 2.237 ppm2 0.782 CV 1 OR { 559} (( segid " " and resid 384 and name HG1 )) ( segid " " and resid 416 and name HD2%) ASSI { 567} (( segid " " and resid 385 and name HN )) (( segid " " and resid 384 and name HN )) 2.400 0.700 0.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.42893E-02 ppm1 7.599 ppm2 8.313 CV 1 ASSI { 569} (( segid " " and resid 422 and name HB2 )) (( segid " " and resid 422 and name HA )) 2.400 0.700 0.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.67641E-02 ppm1 1.914 ppm2 4.069 CV 1 OR { 569} (( segid " " and resid 422 and name HB1 )) (( segid " " and resid 422 and name HA )) ASSI { 570} (( segid " " and resid 427 and name HN )) (( segid " " and resid 428 and name HN )) 2.400 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.49930E-02 ppm1 8.251 ppm2 8.186 CV 1 ASSI { 572} (( segid " " and resid 418 and name HB1 )) (( segid " " and resid 418 and name HA )) 2.400 0.700 0.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.67285E-02 ppm1 1.718 ppm2 4.096 CV 1 OR { 572} (( segid " " and resid 418 and name HB2 )) (( segid " " and resid 418 and name HA )) ASSI { 584} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HB2 )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.24107E-02 ppm1 5.303 ppm2 2.990 CV 1 ASSI { 586} (( segid " " and resid 397 and name HN )) (( segid " " and resid 398 and name HN )) 2.500 0.800 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.37286E-02 ppm1 8.015 ppm2 8.520 CV 1 ASSI { 587} (( segid " " and resid 386 and name HA )) ( segid " " and resid 389 and name HB% ) 2.700 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.31786E-02 ppm1 3.667 ppm2 1.443 CV 1 ASSI { 588} (( segid " " and resid 420 and name HN )) (( segid " " and resid 421 and name HN )) 2.600 0.800 0.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.36643E-02 ppm1 7.667 ppm2 8.158 CV 1 ASSI { 589} (( segid " " and resid 393 and name HA )) (( segid " " and resid 393 and name HB2 )) 3.200 1.300 1.300 peak 589 spectrum 1 weight 0.10000E+01 volume 0.13679E-02 ppm1 4.542 ppm2 3.312 CV 1 ASSI { 590} (( segid " " and resid 400 and name HA )) ( segid " " and resid 400 and name HD1%) 2.700 0.900 0.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.97034E-02 ppm1 4.453 ppm2 0.710 CV 1 ASSI { 592} (( segid " " and resid 400 and name HA )) ( segid " " and resid 400 and name HD2%) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.68393E-02 ppm1 4.453 ppm2 0.899 CV 1 ASSI { 593} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HB1 )) 3.000 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 5.305 ppm2 2.160 CV 1 ASSI { 594} (( segid " " and resid 424 and name HA )) ( segid " " and resid 424 and name HD1%) 2.500 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.72393E-02 ppm1 4.194 ppm2 0.778 CV 1 OR { 594} (( segid " " and resid 424 and name HA )) ( segid " " and resid 424 and name HD2%) ASSI { 595} (( segid " " and resid 392 and name HA )) (( segid " " and resid 392 and name HB2 )) 2.700 0.900 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.40572E-02 ppm1 4.798 ppm2 3.108 CV 1 ASSI { 596} (( segid " " and resid 406 and name HA )) ( segid " " and resid 406 and name HG2%) 2.500 0.800 0.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.62859E-02 ppm1 4.361 ppm2 0.811 CV 1 OR { 596} (( segid " " and resid 406 and name HA )) ( segid " " and resid 406 and name HG1%) ASSI { 597} (( segid " " and resid 416 and name HA )) ( segid " " and resid 416 and name HD2%) 3.400 1.500 1.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.22857E-02 ppm1 4.497 ppm2 0.778 CV 1 ASSI { 599} (( segid " " and resid 392 and name HA )) (( segid " " and resid 392 and name HB1 )) 2.600 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.37893E-02 ppm1 4.798 ppm2 2.693 CV 1 ASSI { 601} (( segid " " and resid 410 and name HN )) (( segid " " and resid 409 and name HN )) 2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.36107E-02 ppm1 8.321 ppm2 8.406 CV 1 ASSI { 602} (( segid " " and resid 394 and name HN )) (( segid " " and resid 395 and name HN )) 2.600 0.800 0.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.35072E-02 ppm1 8.159 ppm2 8.027 CV 1 ASSI { 603} (( segid " " and resid 411 and name HA )) (( segid " " and resid 411 and name HB2 )) 2.300 0.600 0.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.10739E-01 ppm1 4.231 ppm2 3.559 CV 1 OR { 603} (( segid " " and resid 411 and name HA )) (( segid " " and resid 411 and name HB1 )) ASSI { 604} (( segid " " and resid 397 and name HA )) ( segid " " and resid 400 and name HD2%) 2.700 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.45929E-02 ppm1 4.074 ppm2 0.898 CV 1 ASSI { 606} (( segid " " and resid 383 and name HA )) ( segid " " and resid 386 and name HD1%) 2.600 0.800 0.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.29607E-02 ppm1 3.944 ppm2 0.770 CV 1 ASSI { 607} (( segid " " and resid 383 and name HA )) ( segid " " and resid 386 and name HG2%) 3.700 1.700 1.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.17036E-02 ppm1 3.942 ppm2 0.849 CV 1 ASSI { 608} (( segid " " and resid 421 and name HA )) ( segid " " and resid 424 and name HD2%) 2.800 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.32572E-02 ppm1 4.014 ppm2 0.789 CV 1 OR { 608} (( segid " " and resid 421 and name HA )) ( segid " " and resid 424 and name HD1%) ASSI { 609} (( segid " " and resid 408 and name HN )) ( segid " " and resid 407 and name HD% ) 2.600 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.34429E-02 ppm1 8.003 ppm2 6.776 CV 1 ASSI { 611} (( segid " " and resid 378 and name HN )) (( segid " " and resid 379 and name HN )) 1.700 1.700 4.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.40907E-01 ppm1 8.392 ppm2 8.320 CV 1 ASSI { 613} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HB1 )) 3.300 1.400 1.400 peak 613 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 4.856 ppm2 2.665 CV 1 ASSI { 614} (( segid " " and resid 392 and name HN )) (( segid " " and resid 393 and name HN )) 2.600 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.33215E-02 ppm1 8.581 ppm2 8.077 CV 1 ASSI { 616} (( segid " " and resid 416 and name HA )) ( segid " " and resid 416 and name HD1%) 2.200 0.600 0.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.75249E-02 ppm1 4.498 ppm2 0.861 CV 1 ASSI { 617} (( segid " " and resid 423 and name HN )) (( segid " " and resid 422 and name HN )) 2.600 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.31536E-02 ppm1 7.935 ppm2 8.292 CV 1 ASSI { 618} (( segid " " and resid 428 and name HA )) (( segid " " and resid 428 and name HB2 )) 2.300 0.700 0.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.98855E-02 ppm1 4.348 ppm2 3.821 CV 1 OR { 618} (( segid " " and resid 428 and name HA )) (( segid " " and resid 428 and name HB1 )) ASSI { 619} ( segid " " and resid 440 and name HG2%) (( segid " " and resid 440 and name HB )) 2.300 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.80323E-02 ppm1 1.112 ppm2 4.231 CV 1 ASSI { 620} (( segid " " and resid 404 and name HA1 )) (( segid " " and resid 404 and name HA2 )) 2.000 0.500 0.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.66928E-02 ppm1 4.199 ppm2 3.656 CV 1 ASSI { 621} (( segid " " and resid 379 and name HA )) (( segid " " and resid 379 and name HB1 )) 2.200 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.78788E-02 ppm1 4.355 ppm2 3.849 CV 1 ASSI { 623} (( segid " " and resid 379 and name HA )) (( segid " " and resid 379 and name HB2 )) 2.500 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.48857E-02 ppm1 4.357 ppm2 3.991 CV 1 ASSI { 626} (( segid " " and resid 407 and name HN )) ( segid " " and resid 407 and name HD% ) 3.200 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.30286E-02 ppm1 9.051 ppm2 6.770 CV 1 ASSI { 627} (( segid " " and resid 379 and name HB2 )) (( segid " " and resid 379 and name HB1 )) 1.600 0.300 0.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.25743E-01 ppm1 4.001 ppm2 3.851 CV 1 ASSI { 631} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 412 and name HB1 )) 1.900 0.500 0.500 peak 631 spectrum 1 weight 0.10000E+01 volume 0.92109E-02 ppm1 3.183 ppm2 2.424 CV 1 ASSI { 641} (( segid " " and resid 383 and name HN )) (( segid " " and resid 382 and name HN )) 2.500 0.800 0.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.30071E-02 ppm1 8.178 ppm2 8.077 CV 1 ASSI { 651} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HB1 )) 2.100 0.600 0.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.49787E-02 ppm1 3.004 ppm2 2.161 CV 1 ASSI { 661} (( segid " " and resid 420 and name HN )) (( segid " " and resid 419 and name HN )) 2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.26214E-02 ppm1 7.667 ppm2 8.479 CV 1 ASSI { 666} (( segid " " and resid 381 and name HN )) (( segid " " and resid 382 and name HN )) 2.700 0.900 0.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.23536E-02 ppm1 8.386 ppm2 8.078 CV 1 ASSI { 674} (( segid " " and resid 380 and name HN )) (( segid " " and resid 381 and name HN )) 2.800 1.000 1.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 8.600 ppm2 8.383 CV 1 ASSI { 680} (( segid " " and resid 405 and name HN )) (( segid " " and resid 403 and name HN )) 3.500 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.20036E-02 ppm1 6.842 ppm2 7.590 CV 1 ASSI { 681} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 414 and name HN )) 2.900 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.17929E-02 ppm1 7.078 ppm2 8.281 CV 1 ASSI { 684} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 414 and name HN )) 3.000 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.17143E-02 ppm1 6.774 ppm2 8.280 CV 1 ASSI { 688} (( segid " " and resid 402 and name HN )) (( segid " " and resid 401 and name HN )) 2.900 1.100 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.16679E-02 ppm1 9.096 ppm2 7.564 CV 1 ASSI { 694} (( segid " " and resid 408 and name HB1 )) (( segid " " and resid 408 and name HB2 )) 2.100 0.600 0.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.45500E-02 ppm1 3.050 ppm2 2.202 CV 1 ASSI { 695} (( segid " " and resid 434 and name HN )) (( segid " " and resid 435 and name HN )) 3.300 1.400 1.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.15822E-02 ppm1 8.072 ppm2 8.333 CV 1 ASSI { 709} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 393 and name HN )) 3.000 1.100 1.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.14286E-02 ppm1 7.080 ppm2 8.077 CV 1 ASSI { 719} (( segid " " and resid 412 and name HN )) (( segid " " and resid 410 and name HN )) 3.300 1.400 1.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.17714E-02 ppm1 7.903 ppm2 8.326 CV 1 ASSI { 722} (( segid " " and resid 411 and name HN )) (( segid " " and resid 413 and name HN )) 3.500 1.500 1.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12571E-02 ppm1 7.296 ppm2 6.798 CV 1 ASSI { 723} (( segid " " and resid 416 and name HN )) (( segid " " and resid 417 and name HN )) 3.800 1.800 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.12464E-02 ppm1 8.653 ppm2 8.519 CV 1 ASSI { 724} (( segid " " and resid 388 and name HN )) (( segid " " and resid 388 and name HD21)) 3.000 1.100 1.100 peak 724 spectrum 1 weight 0.10000E+01 volume 0.12393E-02 ppm1 8.647 ppm2 7.713 CV 1 ASSI { 730} (( segid " " and resid 377 and name HN )) (( segid " " and resid 378 and name HN )) 3.300 1.300 1.300 peak 730 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 8.169 ppm2 8.373 CV 1 ASSI { 739} (( segid " " and resid 417 and name HN )) (( segid " " and resid 406 and name HN )) 3.300 1.300 1.300 peak 739 spectrum 1 weight 0.10000E+01 volume 0.10857E-02 ppm1 8.519 ppm2 9.687 CV 1 ASSI { 743} (( segid " " and resid 412 and name HN )) ( segid " " and resid 407 and name HE% ) 3.400 1.500 1.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 7.899 ppm2 7.072 CV 1 ASSI { 745} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 408 and name HN )) 3.400 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 7.076 ppm2 8.009 CV 1 ASSI { 747} (( segid " " and resid 398 and name HN )) (( segid " " and resid 396 and name HN )) 3.500 1.500 1.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.10286E-02 ppm1 8.518 ppm2 7.776 CV 1 ASSI { 750} (( segid " " and resid 397 and name HN )) (( segid " " and resid 399 and name HN )) 3.500 1.500 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.98573E-03 ppm1 8.018 ppm2 7.624 CV 1 ASSI { 755} (( segid " " and resid 393 and name HN )) (( segid " " and resid 393 and name HD21)) 4.200 2.200 1.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.94287E-03 ppm1 8.072 ppm2 7.671 CV 1 ASSI { 758} (( segid " " and resid 408 and name HN )) (( segid " " and resid 409 and name HN )) 3.700 1.700 1.700 peak 758 spectrum 1 weight 0.10000E+01 volume 0.91787E-03 ppm1 8.004 ppm2 8.408 CV 1 ASSI { 760} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 394 and name HN )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.91431E-03 ppm1 6.771 ppm2 8.157 CV 1 ASSI { 761} (( segid " " and resid 386 and name HN )) (( segid " " and resid 384 and name HN )) 3.600 1.600 1.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.91074E-03 ppm1 7.445 ppm2 8.314 CV 1 ASSI { 767} (( segid " " and resid 416 and name HN )) (( segid " " and resid 388 and name HD22)) 3.400 1.500 1.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.87500E-03 ppm1 8.653 ppm2 7.273 CV 1 ASSI { 769} (( segid " " and resid 379 and name HN )) (( segid " " and resid 380 and name HN )) 3.300 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.87144E-03 ppm1 8.318 ppm2 8.607 CV 1 ASSI { 772} (( segid " " and resid 415 and name HN )) (( segid " " and resid 414 and name HN )) 4.000 2.000 2.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.85001E-03 ppm1 9.058 ppm2 8.283 CV 1 ASSI { 773} (( segid " " and resid 386 and name HA )) ( segid " " and resid 386 and name HG2%) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.66319E-02 ppm1 3.666 ppm2 0.846 CV 1 ASSI { 783} (( segid " " and resid 412 and name HA )) (( segid " " and resid 412 and name HB2 )) 3.000 1.100 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 3.969 ppm2 3.159 CV 1 ASSI { 784} (( segid " " and resid 400 and name HN )) (( segid " " and resid 398 and name HN )) 3.700 1.700 1.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 7.476 ppm2 8.520 CV 1 ASSI { 786} (( segid " " and resid 394 and name HN )) (( segid " " and resid 396 and name HN )) 3.800 1.800 1.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 8.160 ppm2 7.778 CV 1 ASSI { 788} (( segid " " and resid 405 and name HN )) (( segid " " and resid 406 and name HN )) 3.800 1.800 1.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.77145E-03 ppm1 6.832 ppm2 9.680 CV 1 ASSI { 792} (( segid " " and resid 416 and name HN )) (( segid " " and resid 415 and name HN )) 3.900 1.900 1.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.74645E-03 ppm1 8.650 ppm2 9.051 CV 1 ASSI { 805} (( segid " " and resid 394 and name HN )) ( segid " " and resid 407 and name HE% ) 3.400 1.400 1.400 peak 805 spectrum 1 weight 0.10000E+01 volume 0.71071E-03 ppm1 8.162 ppm2 7.082 CV 1 ASSI { 816} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 409 and name HN )) 3.400 1.400 1.400 peak 816 spectrum 1 weight 0.10000E+01 volume 0.68928E-03 ppm1 6.773 ppm2 8.406 CV 1 ASSI { 821} (( segid " " and resid 416 and name HG )) (( segid " " and resid 416 and name HB1 )) 2.400 0.700 0.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.39893E-02 ppm1 1.010 ppm2 1.685 CV 1 ASSI { 826} (( segid " " and resid 394 and name HG2 )) (( segid " " and resid 394 and name HB1 )) 2.400 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.39572E-02 ppm1 1.213 ppm2 1.370 CV 1 ASSI { 828} ( segid " " and resid 389 and name HB% ) (( segid " " and resid 389 and name HN )) 2.000 0.500 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.15393E-01 ppm1 1.444 ppm2 7.551 CV 1 ASSI { 831} (( segid " " and resid 384 and name HB1 )) (( segid " " and resid 384 and name HN )) 2.100 0.500 0.500 peak 831 spectrum 1 weight 0.10000E+01 volume 0.12121E-01 ppm1 2.015 ppm2 8.316 CV 1 OR { 831} (( segid " " and resid 384 and name HB2 )) (( segid " " and resid 384 and name HN )) ASSI { 832} (( segid " " and resid 393 and name HA )) (( segid " " and resid 394 and name HN )) 2.100 0.500 0.500 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11965E-01 ppm1 4.542 ppm2 8.159 CV 1 ASSI { 833} (( segid " " and resid 406 and name HA )) (( segid " " and resid 407 and name HN )) 2.100 0.500 0.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11775E-01 ppm1 4.361 ppm2 9.045 CV 1 ASSI { 840} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 397 and name HN )) 2.200 0.600 0.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.92500E-02 ppm1 1.357 ppm2 8.018 CV 1 ASSI { 843} (( segid " " and resid 424 and name HA )) (( segid " " and resid 424 and name HN )) 2.300 0.600 0.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.89609E-02 ppm1 4.191 ppm2 8.099 CV 1 ASSI { 844} (( segid " " and resid 414 and name HA )) (( segid " " and resid 415 and name HN )) 2.200 0.600 0.600 peak 844 spectrum 1 weight 0.10000E+01 volume 0.88466E-02 ppm1 4.854 ppm2 9.056 CV 1 ASSI { 846} (( segid " " and resid 413 and name HA )) (( segid " " and resid 414 and name HN )) 2.200 0.600 0.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.85070E-02 ppm1 4.418 ppm2 8.282 CV 1 ASSI { 849} (( segid " " and resid 412 and name HA )) (( segid " " and resid 412 and name HN )) 2.200 0.600 0.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.81248E-02 ppm1 3.967 ppm2 7.902 CV 1 ASSI { 851} (( segid " " and resid 415 and name HA )) (( segid " " and resid 416 and name HN )) 2.200 0.600 0.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.80145E-02 ppm1 4.576 ppm2 8.654 CV 1 ASSI { 854} (( segid " " and resid 388 and name HB2 )) (( segid " " and resid 388 and name HN )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.78679E-02 ppm1 2.749 ppm2 8.648 CV 1 OR { 854} (( segid " " and resid 388 and name HB1 )) (( segid " " and resid 388 and name HN )) ASSI { 857} (( segid " " and resid 405 and name HA )) (( segid " " and resid 406 and name HN )) 2.300 0.600 0.600 peak 857 spectrum 1 weight 0.10000E+01 volume 0.76289E-02 ppm1 5.302 ppm2 9.686 CV 1 ASSI { 859} (( segid " " and resid 422 and name HB2 )) (( segid " " and resid 422 and name HN )) 2.300 0.700 0.700 peak 859 spectrum 1 weight 0.10000E+01 volume 0.75680E-02 ppm1 1.907 ppm2 8.295 CV 1 OR { 859} (( segid " " and resid 422 and name HB1 )) (( segid " " and resid 422 and name HN )) ASSI { 861} (( segid " " and resid 392 and name HA )) ( segid " " and resid 407 and name HE% ) 2.200 0.600 0.600 peak 861 spectrum 1 weight 0.10000E+01 volume 0.71284E-02 ppm1 4.797 ppm2 7.077 CV 1 ASSI { 862} (( segid " " and resid 432 and name HA )) (( segid " " and resid 432 and name HN )) 2.300 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.70962E-02 ppm1 4.223 ppm2 8.266 CV 1 ASSI { 863} (( segid " " and resid 428 and name HA )) (( segid " " and resid 428 and name HN )) 2.400 0.700 0.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.70428E-02 ppm1 4.348 ppm2 8.181 CV 1 ASSI { 866} (( segid " " and resid 432 and name HA )) (( segid " " and resid 433 and name HN )) 2.400 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.65394E-02 ppm1 4.216 ppm2 8.426 CV 1 ASSI { 868} (( segid " " and resid 412 and name HA )) (( segid " " and resid 413 and name HN )) 2.400 0.700 0.700 peak 868 spectrum 1 weight 0.10000E+01 volume 0.64394E-02 ppm1 3.967 ppm2 6.798 CV 1 ASSI { 870} (( segid " " and resid 394 and name HG2 )) (( segid " " and resid 394 and name HG1 )) 2.200 0.600 0.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.36965E-02 ppm1 1.216 ppm2 1.437 CV 1 ASSI { 871} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HN )) 2.400 0.700 0.700 peak 871 spectrum 1 weight 0.10000E+01 volume 0.63859E-02 ppm1 4.257 ppm2 7.561 CV 1 ASSI { 873} (( segid " " and resid 407 and name HB1 )) ( segid " " and resid 407 and name HD% ) 2.200 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.62681E-02 ppm1 2.624 ppm2 6.770 CV 1 ASSI { 874} (( segid " " and resid 389 and name HA )) (( segid " " and resid 389 and name HN )) 2.500 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.62181E-02 ppm1 4.090 ppm2 7.551 CV 1 ASSI { 877} ( segid " " and resid 380 and name HB% ) (( segid " " and resid 380 and name HN )) 2.400 0.700 0.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.61107E-02 ppm1 1.349 ppm2 8.602 CV 1 ASSI { 879} (( segid " " and resid 382 and name HB2 )) (( segid " " and resid 382 and name HN )) 2.400 0.700 0.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.60073E-02 ppm1 2.790 ppm2 8.078 CV 1 OR { 879} (( segid " " and resid 382 and name HB1 )) (( segid " " and resid 382 and name HN )) ASSI { 880} (( segid " " and resid 407 and name HB2 )) ( segid " " and resid 407 and name HD% ) 2.300 0.600 0.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.59929E-02 ppm1 2.967 ppm2 6.770 CV 1 ASSI { 883} (( segid " " and resid 407 and name HA )) ( segid " " and resid 407 and name HD% ) 2.400 0.700 0.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.57608E-02 ppm1 4.557 ppm2 6.770 CV 1 ASSI { 887} (( segid " " and resid 399 and name HB1 )) (( segid " " and resid 399 and name HN )) 2.700 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.54534E-02 ppm1 2.789 ppm2 7.625 CV 1 ASSI { 889} (( segid " " and resid 388 and name HA )) (( segid " " and resid 388 and name HD21)) 2.100 0.500 0.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.54034E-02 ppm1 4.460 ppm2 7.711 CV 1 ASSI { 894} (( segid " " and resid 419 and name HA )) (( segid " " and resid 419 and name HN )) 2.500 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.49608E-02 ppm1 4.446 ppm2 8.479 CV 1 ASSI { 895} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HN )) 2.500 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.49500E-02 ppm1 4.618 ppm2 7.626 CV 1 ASSI { 898} (( segid " " and resid 428 and name HB1 )) (( segid " " and resid 428 and name HN )) 2.600 0.800 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.48750E-02 ppm1 3.822 ppm2 8.183 CV 1 OR { 898} (( segid " " and resid 428 and name HB2 )) (( segid " " and resid 428 and name HN )) ASSI { 899} (( segid " " and resid 401 and name HB1 )) (( segid " " and resid 401 and name HN )) 2.400 0.700 0.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.48464E-02 ppm1 2.150 ppm2 7.560 CV 1 ASSI { 900} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 417 and name HN )) 2.600 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.48358E-02 ppm1 0.859 ppm2 8.520 CV 1 ASSI { 901} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HN )) 2.500 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.47036E-02 ppm1 3.877 ppm2 8.028 CV 1 ASSI { 902} ( segid " " and resid 406 and name HG1%) (( segid " " and resid 407 and name HN )) 2.900 1.000 1.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.46679E-02 ppm1 0.812 ppm2 9.047 CV 1 OR { 902} ( segid " " and resid 406 and name HG2%) (( segid " " and resid 407 and name HN )) ASSI { 903} (( segid " " and resid 385 and name HA )) (( segid " " and resid 385 and name HN )) 2.500 0.800 0.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.46679E-02 ppm1 3.891 ppm2 7.600 CV 1 ASSI { 904} (( segid " " and resid 396 and name HA )) (( segid " " and resid 396 and name HN )) 2.400 0.700 0.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.46643E-02 ppm1 3.973 ppm2 7.777 CV 1 ASSI { 907} ( segid " " and resid 406 and name HG1%) (( segid " " and resid 406 and name HN )) 2.600 0.900 0.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.45357E-02 ppm1 0.812 ppm2 9.685 CV 1 OR { 907} ( segid " " and resid 406 and name HG2%) (( segid " " and resid 406 and name HN )) ASSI { 909} (( segid " " and resid 422 and name HA )) (( segid " " and resid 422 and name HN )) 2.600 0.800 0.800 peak 909 spectrum 1 weight 0.10000E+01 volume 0.44893E-02 ppm1 4.070 ppm2 8.293 CV 1 ASSI { 911} (( segid " " and resid 386 and name HA )) (( segid " " and resid 386 and name HN )) 2.500 0.800 0.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.44357E-02 ppm1 3.666 ppm2 7.453 CV 1 ASSI { 912} (( segid " " and resid 419 and name HA )) (( segid " " and resid 420 and name HN )) 2.600 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.44322E-02 ppm1 4.446 ppm2 7.669 CV 1 ASSI { 913} (( segid " " and resid 407 and name HB1 )) (( segid " " and resid 407 and name HN )) 2.600 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.43572E-02 ppm1 2.626 ppm2 9.047 CV 1 ASSI { 914} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 394 and name HN )) 2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.43572E-02 ppm1 0.792 ppm2 8.159 CV 1 ASSI { 915} (( segid " " and resid 384 and name HA )) (( segid " " and resid 384 and name HN )) 2.500 0.800 0.800 peak 915 spectrum 1 weight 0.10000E+01 volume 0.43036E-02 ppm1 3.816 ppm2 8.315 CV 1 ASSI { 916} (( segid " " and resid 392 and name HA )) (( segid " " and resid 407 and name HZ )) 2.600 0.900 0.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.42893E-02 ppm1 4.797 ppm2 6.925 CV 1 ASSI { 917} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HN )) 2.500 0.800 0.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.42858E-02 ppm1 3.936 ppm2 8.521 CV 1 ASSI { 918} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 420 and name HN )) 2.600 0.800 0.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.42679E-02 ppm1 0.886 ppm2 7.668 CV 1 ASSI { 920} (( segid " " and resid 387 and name HA )) (( segid " " and resid 387 and name HN )) 2.600 0.800 0.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.42143E-02 ppm1 4.456 ppm2 7.426 CV 1 ASSI { 923} (( segid " " and resid 394 and name HA )) ( segid " " and resid 407 and name HD% ) 2.400 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.40750E-02 ppm1 2.770 ppm2 6.774 CV 1 ASSI { 925} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HN )) 2.400 0.700 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 3.307 ppm2 8.076 CV 1 ASSI { 932} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 407 and name HN )) 2.500 0.800 0.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.38929E-02 ppm1 2.971 ppm2 9.046 CV 1 ASSI { 933} (( segid " " and resid 376 and name HA )) (( segid " " and resid 377 and name HN )) 2.500 0.800 0.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.52321E-02 ppm1 4.312 ppm2 8.165 CV 1 ASSI { 935} (( segid " " and resid 410 and name HA )) (( segid " " and resid 410 and name HN )) 2.600 0.900 0.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.38465E-02 ppm1 4.109 ppm2 8.328 CV 1 ASSI { 937} (( segid " " and resid 414 and name HA )) ( segid " " and resid 407 and name HD% ) 2.600 0.800 0.800 peak 937 spectrum 1 weight 0.10000E+01 volume 0.38107E-02 ppm1 4.855 ppm2 6.770 CV 1 ASSI { 938} (( segid " " and resid 394 and name HA )) (( segid " " and resid 394 and name HN )) 2.600 0.800 0.800 peak 938 spectrum 1 weight 0.10000E+01 volume 0.38072E-02 ppm1 2.770 ppm2 8.160 CV 1 ASSI { 942} (( segid " " and resid 397 and name HA )) (( segid " " and resid 397 and name HN )) 2.600 0.800 0.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.37143E-02 ppm1 4.071 ppm2 8.014 CV 1 ASSI { 944} (( segid " " and resid 388 and name HB2 )) (( segid " " and resid 389 and name HN )) 2.700 0.900 0.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.36822E-02 ppm1 2.749 ppm2 7.550 CV 1 OR { 944} (( segid " " and resid 388 and name HB1 )) (( segid " " and resid 389 and name HN )) ASSI { 945} (( segid " " and resid 393 and name HA )) (( segid " " and resid 393 and name HN )) 2.600 0.900 0.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.36322E-02 ppm1 4.544 ppm2 8.077 CV 1 ASSI { 948} (( segid " " and resid 398 and name HB1 )) (( segid " " and resid 398 and name HN )) 3.200 1.300 1.300 peak 948 spectrum 1 weight 0.10000E+01 volume 0.35857E-02 ppm1 2.015 ppm2 8.520 CV 1 ASSI { 949} (( segid " " and resid 414 and name HB1 )) (( segid " " and resid 414 and name HN )) 2.600 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.35108E-02 ppm1 2.679 ppm2 8.283 CV 1 ASSI { 951} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 408 and name HD21)) 2.900 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.34215E-02 ppm1 2.221 ppm2 8.078 CV 1 ASSI { 954} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HN )) 2.700 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.33465E-02 ppm1 4.122 ppm2 7.936 CV 1 ASSI { 956} (( segid " " and resid 379 and name HA )) (( segid " " and resid 379 and name HN )) 2.600 0.800 0.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.33072E-02 ppm1 4.355 ppm2 8.324 CV 1 ASSI { 960} (( segid " " and resid 387 and name HB1 )) (( segid " " and resid 387 and name HN )) 3.200 1.200 1.200 peak 960 spectrum 1 weight 0.10000E+01 volume 0.32429E-02 ppm1 2.470 ppm2 7.427 CV 1 ASSI { 961} (( segid " " and resid 418 and name HB2 )) (( segid " " and resid 419 and name HN )) 2.900 1.000 1.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.32107E-02 ppm1 1.718 ppm2 8.480 CV 1 OR { 961} (( segid " " and resid 418 and name HB1 )) (( segid " " and resid 419 and name HN )) ASSI { 964} (( segid " " and resid 420 and name HB )) (( segid " " and resid 420 and name HN )) 2.700 0.900 0.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.31536E-02 ppm1 2.037 ppm2 7.668 CV 1 ASSI { 966} (( segid " " and resid 382 and name HA )) (( segid " " and resid 382 and name HN )) 2.600 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.31179E-02 ppm1 4.492 ppm2 8.077 CV 1 ASSI { 968} (( segid " " and resid 387 and name HB1 )) (( segid " " and resid 388 and name HN )) 3.100 1.200 1.200 peak 968 spectrum 1 weight 0.10000E+01 volume 0.31000E-02 ppm1 2.474 ppm2 8.650 CV 1 ASSI { 970} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name HN )) 2.700 0.900 0.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.30929E-02 ppm1 3.436 ppm2 8.282 CV 1 ASSI { 971} ( segid " " and resid 389 and name HB% ) (( segid " " and resid 390 and name HN )) 2.900 1.000 1.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.30893E-02 ppm1 1.442 ppm2 7.176 CV 1 ASSI { 975} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 408 and name HN )) 2.800 1.000 1.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.30608E-02 ppm1 2.221 ppm2 8.001 CV 1 ASSI { 976} ( segid " " and resid 386 and name HG2%) (( segid " " and resid 387 and name HN )) 3.000 1.100 1.100 peak 976 spectrum 1 weight 0.10000E+01 volume 0.30536E-02 ppm1 0.844 ppm2 7.426 CV 1 ASSI { 977} (( segid " " and resid 421 and name HB1 )) (( segid " " and resid 422 and name HN )) 2.600 0.800 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.30214E-02 ppm1 1.792 ppm2 8.296 CV 1 ASSI { 978} (( segid " " and resid 412 and name HA )) (( segid " " and resid 407 and name HZ )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 3.965 ppm2 6.924 CV 1 ASSI { 979} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HN )) 2.700 0.900 0.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.29750E-02 ppm1 4.416 ppm2 6.800 CV 1 ASSI { 980} (( segid " " and resid 397 and name HB2 )) ( segid " " and resid 407 and name HD% ) 2.600 0.800 0.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.29679E-02 ppm1 3.059 ppm2 6.774 CV 1 ASSI { 981} ( segid " " and resid 386 and name HG2%) (( segid " " and resid 386 and name HN )) 3.500 1.500 1.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.29643E-02 ppm1 0.844 ppm2 7.451 CV 1 ASSI { 982} (( segid " " and resid 417 and name HB1 )) (( segid " " and resid 417 and name HN )) 2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.29393E-02 ppm1 1.783 ppm2 8.521 CV 1 ASSI { 983} (( segid " " and resid 394 and name HA )) (( segid " " and resid 395 and name HN )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.29357E-02 ppm1 2.769 ppm2 8.020 CV 1 ASSI { 984} (( segid " " and resid 423 and name HB1 )) (( segid " " and resid 423 and name HN )) 2.900 1.000 1.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.28965E-02 ppm1 1.744 ppm2 7.935 CV 1 ASSI { 985} (( segid " " and resid 391 and name HA )) (( segid " " and resid 392 and name HN )) 2.900 1.000 1.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.28572E-02 ppm1 3.853 ppm2 8.586 CV 1 ASSI { 987} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HN )) 2.700 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.28250E-02 ppm1 3.999 ppm2 8.160 CV 1 ASSI { 988} (( segid " " and resid 382 and name HB2 )) (( segid " " and resid 383 and name HN )) 2.900 1.000 1.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.36000E-02 ppm1 2.788 ppm2 8.188 CV 1 OR { 988} (( segid " " and resid 382 and name HB1 )) (( segid " " and resid 383 and name HN )) ASSI { 989} (( segid " " and resid 420 and name HB )) (( segid " " and resid 421 and name HN )) 2.700 0.900 0.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 2.037 ppm2 8.159 CV 1 ASSI { 990} (( segid " " and resid 406 and name HA )) (( segid " " and resid 406 and name HN )) 2.700 0.900 0.900 peak 990 spectrum 1 weight 0.10000E+01 volume 0.28072E-02 ppm1 4.361 ppm2 9.682 CV 1 ASSI { 994} (( segid " " and resid 420 and name HA )) (( segid " " and resid 420 and name HN )) 2.800 0.900 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.27393E-02 ppm1 3.869 ppm2 7.670 CV 1 ASSI { 996} (( segid " " and resid 378 and name HA )) (( segid " " and resid 378 and name HN )) 2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.27107E-02 ppm1 4.297 ppm2 8.377 CV 1 ASSI { 999} (( segid " " and resid 442 and name HA1 )) (( segid " " and resid 442 and name HN )) 2.900 1.000 1.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.26893E-02 ppm1 3.933 ppm2 8.319 CV 1 OR { 999} (( segid " " and resid 442 and name HA2 )) (( segid " " and resid 442 and name HN )) ASSI { 1000} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HN )) 2.800 1.000 1.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.26786E-02 ppm1 4.261 ppm2 8.179 CV 1 ASSI { 1002} (( segid " " and resid 395 and name HA )) (( segid " " and resid 398 and name HN )) 2.800 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.26679E-02 ppm1 3.876 ppm2 8.520 CV 1 ASSI { 1003} (( segid " " and resid 427 and name HG1 )) (( segid " " and resid 427 and name HN )) 3.100 1.200 1.200 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.26357E-02 ppm1 2.255 ppm2 8.254 CV 1 OR { 1003} (( segid " " and resid 427 and name HG2 )) (( segid " " and resid 427 and name HN )) ASSI { 1004} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HN )) 2.700 0.900 0.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.26071E-02 ppm1 4.452 ppm2 7.471 CV 1 ASSI { 1005} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 421 and name HN )) 3.300 1.300 1.300 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.26036E-02 ppm1 0.878 ppm2 8.159 CV 1 OR { 1005} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 421 and name HN )) ASSI { 1006} ( segid " " and resid 390 and name HB% ) (( segid " " and resid 391 and name HN )) 2.900 1.100 1.100 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.26036E-02 ppm1 1.358 ppm2 7.944 CV 1 ASSI { 1007} (( segid " " and resid 388 and name HB1 )) (( segid " " and resid 388 and name HD21)) 3.000 1.100 1.100 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 2.749 ppm2 7.713 CV 1 OR { 1007} (( segid " " and resid 388 and name HB2 )) (( segid " " and resid 388 and name HD21)) ASSI { 1008} (( segid " " and resid 387 and name HB2 )) (( segid " " and resid 388 and name HN )) 2.600 0.900 0.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.25536E-02 ppm1 2.635 ppm2 8.649 CV 1 ASSI { 1010} (( segid " " and resid 423 and name HB2 )) (( segid " " and resid 423 and name HN )) 2.600 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.26179E-02 ppm1 1.783 ppm2 7.936 CV 1 ASSI { 1011} (( segid " " and resid 387 and name HB2 )) (( segid " " and resid 387 and name HN )) 2.600 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.25357E-02 ppm1 2.637 ppm2 7.426 CV 1 ASSI { 1012} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 438 and name HN )) 3.000 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.25179E-02 ppm1 1.302 ppm2 8.097 CV 1 ASSI { 1013} (( segid " " and resid 413 and name HA )) ( segid " " and resid 407 and name HE% ) 2.700 0.900 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.24893E-02 ppm1 4.416 ppm2 7.077 CV 1 ASSI { 1014} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 406 and name HN )) 3.500 1.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.24715E-02 ppm1 3.004 ppm2 9.686 CV 1 ASSI { 1015} (( segid " " and resid 417 and name HD2 )) (( segid " " and resid 417 and name HN )) 3.000 1.100 1.100 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.24643E-02 ppm1 1.593 ppm2 8.521 CV 1 OR { 1015} (( segid " " and resid 417 and name HD1 )) (( segid " " and resid 417 and name HN )) ASSI { 1017} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 405 and name HN )) 2.700 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.24179E-02 ppm1 3.005 ppm2 6.837 CV 1 ASSI { 1018} (( segid " " and resid 402 and name HA )) (( segid " " and resid 402 and name HN )) 2.900 1.000 1.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.24107E-02 ppm1 4.182 ppm2 9.097 CV 1 ASSI { 1020} (( segid " " and resid 419 and name HB1 )) (( segid " " and resid 419 and name HN )) 3.100 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.24036E-02 ppm1 2.494 ppm2 8.478 CV 1 ASSI { 1022} (( segid " " and resid 382 and name HB2 )) (( segid " " and resid 382 and name HD22)) 3.300 1.400 1.400 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.23893E-02 ppm1 2.790 ppm2 6.956 CV 1 OR { 1022} (( segid " " and resid 382 and name HB1 )) (( segid " " and resid 382 and name HD22)) ASSI { 1025} (( segid " " and resid 414 and name HA )) (( segid " " and resid 408 and name HN )) 2.800 1.000 1.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.23786E-02 ppm1 4.855 ppm2 8.001 CV 1 ASSI { 1027} (( segid " " and resid 386 and name HA )) ( segid " " and resid 386 and name HD1%) 3.500 1.500 1.500 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.38715E-02 ppm1 3.667 ppm2 0.768 CV 1 ASSI { 1028} (( segid " " and resid 385 and name HA )) (( segid " " and resid 388 and name HN )) 2.800 1.000 1.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.23000E-02 ppm1 3.889 ppm2 8.647 CV 1 ASSI { 1030} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HN )) 2.900 1.000 1.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.22607E-02 ppm1 4.353 ppm2 7.584 CV 1 ASSI { 1031} (( segid " " and resid 411 and name HA )) (( segid " " and resid 411 and name HN )) 2.900 1.000 1.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.22536E-02 ppm1 4.233 ppm2 7.301 CV 1 ASSI { 1034} (( segid " " and resid 419 and name HB2 )) (( segid " " and resid 419 and name HN )) 2.900 1.000 1.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.22322E-02 ppm1 2.594 ppm2 8.479 CV 1 ASSI { 1035} (( segid " " and resid 405 and name HA )) (( segid " " and resid 417 and name HN )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.22000E-02 ppm1 5.304 ppm2 8.520 CV 1 ASSI { 1036} (( segid " " and resid 429 and name HG1 )) (( segid " " and resid 429 and name HN )) 2.600 0.800 0.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.42286E-02 ppm1 1.375 ppm2 8.181 CV 1 OR { 1036} (( segid " " and resid 429 and name HG2 )) (( segid " " and resid 429 and name HN )) ASSI { 1037} (( segid " " and resid 392 and name HA )) (( segid " " and resid 392 and name HN )) 2.700 0.900 0.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.21750E-02 ppm1 4.796 ppm2 8.582 CV 1 ASSI { 1039} (( segid " " and resid 408 and name HB1 )) (( segid " " and resid 408 and name HD21)) 2.600 0.800 0.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.21643E-02 ppm1 3.052 ppm2 8.078 CV 1 ASSI { 1044} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 393 and name HD22)) 3.500 1.500 1.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.21429E-02 ppm1 1.358 ppm2 6.858 CV 1 ASSI { 1046} (( segid " " and resid 383 and name HA )) (( segid " " and resid 386 and name HN )) 2.800 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 3.945 ppm2 7.459 CV 1 ASSI { 1053} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 384 and name HN )) 3.000 1.100 1.100 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.20500E-02 ppm1 0.778 ppm2 8.313 CV 1 ASSI { 1054} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 386 and name HN )) 3.600 1.600 1.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 0.770 ppm2 7.452 CV 1 ASSI { 1055} ( segid " " and resid 400 and name HD1%) (( segid " " and resid 400 and name HN )) 3.500 1.500 1.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.20393E-02 ppm1 0.709 ppm2 7.477 CV 1 ASSI { 1058} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HD21)) 2.600 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 3.957 ppm2 7.470 CV 1 ASSI { 1059} (( segid " " and resid 392 and name HA )) (( segid " " and resid 393 and name HN )) 3.000 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 4.797 ppm2 8.077 CV 1 ASSI { 1062} (( segid " " and resid 386 and name HG12)) (( segid " " and resid 386 and name HG11)) 2.100 0.500 0.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.34608E-02 ppm1 1.197 ppm2 1.594 CV 1 ASSI { 1064} (( segid " " and resid 422 and name HB1 )) (( segid " " and resid 423 and name HN )) 3.000 1.100 1.100 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.19250E-02 ppm1 1.906 ppm2 7.937 CV 1 OR { 1064} (( segid " " and resid 422 and name HB2 )) (( segid " " and resid 423 and name HN )) ASSI { 1066} (( segid " " and resid 439 and name HB2 )) (( segid " " and resid 439 and name HN )) 3.100 1.200 1.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.18929E-02 ppm1 2.788 ppm2 8.324 CV 1 ASSI { 1067} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HN )) 2.900 1.000 1.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.18893E-02 ppm1 5.302 ppm2 6.835 CV 1 ASSI { 1068} ( segid " " and resid 424 and name HD2%) (( segid " " and resid 424 and name HN )) 3.500 1.600 1.600 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.18893E-02 ppm1 0.787 ppm2 8.100 CV 1 OR { 1068} ( segid " " and resid 424 and name HD1%) (( segid " " and resid 424 and name HN )) ASSI { 1069} (( segid " " and resid 384 and name HA )) (( segid " " and resid 416 and name HN )) 3.000 1.100 1.100 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 3.812 ppm2 8.653 CV 1 ASSI { 1072} (( segid " " and resid 398 and name HA )) (( segid " " and resid 401 and name HN )) 3.200 1.200 1.200 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.18464E-02 ppm1 3.934 ppm2 7.561 CV 1 ASSI { 1074} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HD21)) 3.100 1.200 1.200 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.18322E-02 ppm1 3.307 ppm2 7.666 CV 1 ASSI { 1077} (( segid " " and resid 397 and name HB1 )) (( segid " " and resid 398 and name HN )) 2.700 0.900 0.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.18250E-02 ppm1 2.901 ppm2 8.522 CV 1 ASSI { 1081} (( segid " " and resid 395 and name HA )) (( segid " " and resid 396 and name HN )) 3.100 1.200 1.200 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 3.877 ppm2 7.775 CV 1 ASSI { 1082} (( segid " " and resid 396 and name HA )) (( segid " " and resid 397 and name HN )) 3.100 1.200 1.200 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.17357E-02 ppm1 3.970 ppm2 8.017 CV 1 ASSI { 1083} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 416 and name HN )) 3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 0.779 ppm2 8.655 CV 1 ASSI { 1084} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 393 and name HD22)) 3.800 1.800 1.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 2.651 ppm2 6.857 CV 1 ASSI { 1085} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 385 and name HN )) 3.400 1.500 1.500 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 2.236 ppm2 7.599 CV 1 OR { 1085} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 385 and name HN )) ASSI { 1087} (( segid " " and resid 389 and name HA )) (( segid " " and resid 390 and name HN )) 3.100 1.200 1.200 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.17179E-02 ppm1 4.087 ppm2 7.174 CV 1 ASSI { 1088} (( segid " " and resid 424 and name HG )) (( segid " " and resid 424 and name HN )) 3.300 1.300 1.300 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.17071E-02 ppm1 1.482 ppm2 8.103 CV 1 ASSI { 1089} (( segid " " and resid 404 and name HA2 )) (( segid " " and resid 405 and name HN )) 2.900 1.000 1.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.16750E-02 ppm1 3.670 ppm2 6.837 CV 1 ASSI { 1090} (( segid " " and resid 377 and name HB )) (( segid " " and resid 378 and name HN )) 3.200 1.200 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.16750E-02 ppm1 4.137 ppm2 8.377 CV 1 ASSI { 1091} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 416 and name HN )) 3.700 1.700 1.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.16643E-02 ppm1 0.856 ppm2 8.654 CV 1 ASSI { 1092} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HN )) 2.900 1.100 1.100 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.16465E-02 ppm1 4.853 ppm2 8.280 CV 1 ASSI { 1099} (( segid " " and resid 390 and name HA )) (( segid " " and resid 391 and name HN )) 3.200 1.300 1.300 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.15893E-02 ppm1 4.193 ppm2 7.943 CV 1 ASSI { 1101} (( segid " " and resid 392 and name HA )) (( segid " " and resid 414 and name HN )) 3.200 1.300 1.300 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.15643E-02 ppm1 4.799 ppm2 8.283 CV 1 ASSI { 1102} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 388 and name HD22)) 3.000 1.100 1.100 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.15572E-02 ppm1 2.237 ppm2 7.275 CV 1 OR { 1102} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 388 and name HD22)) ASSI { 1103} (( segid " " and resid 394 and name HA )) ( segid " " and resid 407 and name HE% ) 3.000 1.100 1.100 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.15536E-02 ppm1 2.763 ppm2 7.080 CV 1 ASSI { 1106} (( segid " " and resid 399 and name HA )) (( segid " " and resid 400 and name HN )) 3.200 1.300 1.300 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.15214E-02 ppm1 4.618 ppm2 7.476 CV 1 ASSI { 1107} (( segid " " and resid 391 and name HG1 )) (( segid " " and resid 391 and name HN )) 3.000 1.100 1.100 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 1.495 ppm2 7.945 CV 1 ASSI { 1108} (( segid " " and resid 388 and name HB1 )) (( segid " " and resid 388 and name HD22)) 3.700 1.700 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 2.749 ppm2 7.275 CV 1 OR { 1108} (( segid " " and resid 388 and name HB2 )) (( segid " " and resid 388 and name HD22)) ASSI { 1109} (( segid " " and resid 392 and name HA )) ( segid " " and resid 407 and name HD% ) 3.500 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.21286E-02 ppm1 4.801 ppm2 6.778 CV 1 ASSI { 1110} (( segid " " and resid 416 and name HA )) (( segid " " and resid 406 and name HN )) 3.200 1.300 1.300 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.15072E-02 ppm1 4.499 ppm2 9.687 CV 1 ASSI { 1112} (( segid " " and resid 380 and name HA )) (( segid " " and resid 383 and name HN )) 3.000 1.100 1.100 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.27536E-02 ppm1 4.027 ppm2 8.191 CV 1 ASSI { 1115} (( segid " " and resid 402 and name HB2 )) (( segid " " and resid 402 and name HN )) 3.000 1.100 1.100 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.14643E-02 ppm1 2.063 ppm2 9.097 CV 1 ASSI { 1116} (( segid " " and resid 384 and name HA )) (( segid " " and resid 385 and name HN )) 3.100 1.200 1.200 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.14536E-02 ppm1 3.810 ppm2 7.600 CV 1 ASSI { 1120} (( segid " " and resid 398 and name HG1 )) (( segid " " and resid 398 and name HN )) 3.200 1.200 1.200 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.14322E-02 ppm1 2.218 ppm2 8.523 CV 1 ASSI { 1122} (( segid " " and resid 376 and name HA )) (( segid " " and resid 376 and name HN )) 3.100 1.200 1.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.14179E-02 ppm1 4.308 ppm2 8.441 CV 1 ASSI { 1123} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 395 and name HN )) 3.700 1.700 1.700 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.14179E-02 ppm1 0.794 ppm2 8.025 CV 1 ASSI { 1124} (( segid " " and resid 394 and name HB1 )) (( segid " " and resid 407 and name HZ )) 3.800 1.800 1.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.14000E-02 ppm1 1.355 ppm2 6.926 CV 1 ASSI { 1125} (( segid " " and resid 432 and name HG2 )) (( segid " " and resid 432 and name HN )) 3.400 1.400 1.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 2.188 ppm2 8.263 CV 1 OR { 1125} (( segid " " and resid 432 and name HG1 )) (( segid " " and resid 432 and name HN )) ASSI { 1126} (( segid " " and resid 399 and name HA )) (( segid " " and resid 401 and name HN )) 3.200 1.300 1.300 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 4.618 ppm2 7.560 CV 1 ASSI { 1128} (( segid " " and resid 404 and name HA1 )) (( segid " " and resid 405 and name HN )) 3.800 1.800 1.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 4.194 ppm2 6.836 CV 1 ASSI { 1130} (( segid " " and resid 388 and name HA )) (( segid " " and resid 391 and name HN )) 3.000 1.200 1.200 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 4.457 ppm2 7.941 CV 1 ASSI { 1131} ( segid " " and resid 389 and name HB% ) (( segid " " and resid 388 and name HN )) 4.000 2.000 2.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 1.445 ppm2 8.648 CV 1 ASSI { 1132} (( segid " " and resid 412 and name HA )) (( segid " " and resid 411 and name HN )) 4.200 2.200 1.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 3.962 ppm2 7.301 CV 1 ASSI { 1133} (( segid " " and resid 405 and name HB1 )) (( segid " " and resid 406 and name HN )) 3.200 1.300 1.300 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 2.163 ppm2 9.683 CV 1 ASSI { 1136} (( segid " " and resid 415 and name HA )) (( segid " " and resid 388 and name HD21)) 3.100 1.200 1.200 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 4.575 ppm2 7.711 CV 1 ASSI { 1138} (( segid " " and resid 416 and name HB2 )) (( segid " " and resid 416 and name HN )) 2.900 1.100 1.100 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.13429E-02 ppm1 1.600 ppm2 8.656 CV 1 ASSI { 1140} (( segid " " and resid 384 and name HA )) (( segid " " and resid 387 and name HN )) 3.100 1.200 1.200 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 3.810 ppm2 7.427 CV 1 ASSI { 1142} (( segid " " and resid 391 and name HA )) (( segid " " and resid 414 and name HN )) 2.900 1.000 1.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.22000E-02 ppm1 3.855 ppm2 8.285 CV 1 ASSI { 1143} (( segid " " and resid 402 and name HG2 )) (( segid " " and resid 402 and name HN )) 3.300 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.13107E-02 ppm1 2.241 ppm2 9.097 CV 1 OR { 1143} (( segid " " and resid 402 and name HG1 )) (( segid " " and resid 402 and name HN )) ASSI { 1144} (( segid " " and resid 391 and name HB2 )) (( segid " " and resid 391 and name HN )) 3.200 1.300 1.300 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.14036E-02 ppm1 1.855 ppm2 7.947 CV 1 ASSI { 1145} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 394 and name HN )) 3.600 1.600 1.600 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 2.653 ppm2 8.158 CV 1 ASSI { 1147} (( segid " " and resid 418 and name HG2 )) (( segid " " and resid 419 and name HN )) 3.200 1.300 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.12857E-02 ppm1 1.356 ppm2 8.480 CV 1 OR { 1147} (( segid " " and resid 418 and name HG1 )) (( segid " " and resid 419 and name HN )) ASSI { 1148} (( segid " " and resid 386 and name HA )) (( segid " " and resid 389 and name HN )) 3.200 1.200 1.200 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 3.664 ppm2 7.551 CV 1 ASSI { 1149} (( segid " " and resid 385 and name HD1 )) (( segid " " and resid 385 and name HN )) 3.900 1.900 1.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 1.605 ppm2 7.601 CV 1 ASSI { 1151} (( segid " " and resid 394 and name HA )) (( segid " " and resid 398 and name HN )) 3.200 1.300 1.300 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.12536E-02 ppm1 2.775 ppm2 8.520 CV 1 ASSI { 1154} (( segid " " and resid 403 and name HA )) (( segid " " and resid 404 and name HN )) 3.300 1.400 1.400 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.12500E-02 ppm1 4.350 ppm2 7.742 CV 1 ASSI { 1155} (( segid " " and resid 376 and name HB1 )) (( segid " " and resid 376 and name HN )) 3.500 1.500 1.500 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 1.927 ppm2 8.437 CV 1 ASSI { 1158} (( segid " " and resid 415 and name HA )) (( segid " " and resid 388 and name HD22)) 3.100 1.200 1.200 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 4.577 ppm2 7.276 CV 1 ASSI { 1159} ( segid " " and resid 431 and name HG2%) (( segid " " and resid 431 and name HN )) 3.200 1.300 1.300 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.12286E-02 ppm1 1.117 ppm2 8.048 CV 1 ASSI { 1161} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HN )) 3.200 1.300 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.12250E-02 ppm1 4.352 ppm2 8.100 CV 1 ASSI { 1164} (( segid " " and resid 406 and name HB )) (( segid " " and resid 406 and name HN )) 3.200 1.300 1.300 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 1.938 ppm2 9.690 CV 1 ASSI { 1166} ( segid " " and resid 377 and name HG2%) (( segid " " and resid 377 and name HN )) 3.300 1.400 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.11821E-02 ppm1 1.129 ppm2 8.168 CV 1 ASSI { 1171} (( segid " " and resid 394 and name HB2 )) ( segid " " and resid 407 and name HD% ) 3.200 1.300 1.300 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.11715E-02 ppm1 0.806 ppm2 6.773 CV 1 ASSI { 1172} (( segid " " and resid 388 and name HA )) (( segid " " and resid 388 and name HB1 )) 2.200 0.600 0.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.85253E-02 ppm1 4.461 ppm2 2.749 CV 1 OR { 1172} (( segid " " and resid 388 and name HA )) (( segid " " and resid 388 and name HB2 )) ASSI { 1174} (( segid " " and resid 397 and name HA )) (( segid " " and resid 400 and name HN )) 3.400 1.400 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.11536E-02 ppm1 4.076 ppm2 7.479 CV 1 ASSI { 1175} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 416 and name HN )) 3.300 1.400 1.400 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.11428E-02 ppm1 2.239 ppm2 8.654 CV 1 OR { 1175} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 416 and name HN )) ASSI { 1177} (( segid " " and resid 414 and name HB2 )) ( segid " " and resid 407 and name HD% ) 2.800 1.000 1.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.11250E-02 ppm1 3.437 ppm2 6.765 CV 1 ASSI { 1178} (( segid " " and resid 413 and name HA )) (( segid " " and resid 407 and name HZ )) 3.300 1.300 1.300 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 4.414 ppm2 6.928 CV 1 ASSI { 1183} (( segid " " and resid 407 and name HB1 )) ( segid " " and resid 407 and name HE% ) 3.900 1.900 1.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.10786E-02 ppm1 2.634 ppm2 7.079 CV 1 ASSI { 1186} (( segid " " and resid 392 and name HB2 )) ( segid " " and resid 407 and name HE% ) 3.800 1.800 1.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 3.136 ppm2 7.073 CV 1 ASSI { 1188} (( segid " " and resid 376 and name HB2 )) (( segid " " and resid 376 and name HN )) 3.300 1.300 1.300 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 2.026 ppm2 8.438 CV 1 ASSI { 1191} (( segid " " and resid 379 and name HA )) (( segid " " and resid 381 and name HN )) 3.200 1.300 1.300 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.18143E-02 ppm1 4.352 ppm2 8.383 CV 1 ASSI { 1192} (( segid " " and resid 386 and name HA )) (( segid " " and resid 385 and name HN )) 4.100 2.100 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.99286E-03 ppm1 3.669 ppm2 7.599 CV 1 ASSI { 1194} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 388 and name HD21)) 3.900 1.900 1.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.98217E-03 ppm1 2.236 ppm2 7.713 CV 1 OR { 1194} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 388 and name HD21)) ASSI { 1197} (( segid " " and resid 417 and name HG1 )) (( segid " " and resid 419 and name HN )) 3.500 1.500 1.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.96430E-03 ppm1 1.413 ppm2 8.480 CV 1 OR { 1197} (( segid " " and resid 417 and name HG2 )) (( segid " " and resid 419 and name HN )) ASSI { 1198} (( segid " " and resid 385 and name HA )) (( segid " " and resid 389 and name HN )) 3.500 1.500 1.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 3.891 ppm2 7.553 CV 1 ASSI { 1201} (( segid " " and resid 426 and name HG1 )) (( segid " " and resid 426 and name HN )) 3.200 1.300 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 1.407 ppm2 8.088 CV 1 OR { 1201} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 426 and name HN )) ASSI { 1205} (( segid " " and resid 405 and name HA )) (( segid " " and resid 415 and name HN )) 3.600 1.600 1.600 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.93930E-03 ppm1 5.304 ppm2 9.062 CV 1 ASSI { 1208} (( segid " " and resid 416 and name HG )) (( segid " " and resid 417 and name HN )) 3.300 1.400 1.400 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.93213E-03 ppm1 1.005 ppm2 8.521 CV 1 ASSI { 1213} (( segid " " and resid 401 and name HB1 )) (( segid " " and resid 400 and name HN )) 4.000 2.000 2.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.93574E-03 ppm1 2.143 ppm2 7.478 CV 1 ASSI { 1218} (( segid " " and resid 392 and name HB1 )) (( segid " " and resid 407 and name HZ )) 3.700 1.700 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.90356E-03 ppm1 2.697 ppm2 6.925 CV 1 ASSI { 1219} ( segid " " and resid 400 and name HD2%) (( segid " " and resid 387 and name HN )) 2.900 2.900 3.100 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.90356E-03 ppm1 0.900 ppm2 7.428 CV 1 ASSI { 1220} (( segid " " and resid 391 and name HG1 )) (( segid " " and resid 392 and name HN )) 4.700 2.800 1.300 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.90356E-03 ppm1 1.497 ppm2 8.585 CV 1 ASSI { 1221} (( segid " " and resid 417 and name HD1 )) (( segid " " and resid 419 and name HN )) 3.500 1.500 1.500 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.90000E-03 ppm1 1.590 ppm2 8.479 CV 1 OR { 1221} (( segid " " and resid 417 and name HD2 )) (( segid " " and resid 419 and name HN )) ASSI { 1224} ( segid " " and resid 400 and name HD1%) (( segid " " and resid 401 and name HN )) 3.500 1.500 1.500 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.89287E-03 ppm1 0.710 ppm2 7.562 CV 1 ASSI { 1226} (( segid " " and resid 422 and name HA )) (( segid " " and resid 425 and name HN )) 3.200 1.300 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 4.068 ppm2 8.253 CV 1 ASSI { 1232} ( segid " " and resid 377 and name HG2%) (( segid " " and resid 378 and name HN )) 3.800 1.800 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.92500E-03 ppm1 1.127 ppm2 8.377 CV 1 ASSI { 1235} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 408 and name HD22)) 3.200 1.300 1.300 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.87144E-03 ppm1 2.021 ppm2 6.867 CV 1 OR { 1235} (( segid " " and resid 410 and name HB1 )) (( segid " " and resid 408 and name HD22)) ASSI { 1236} (( segid " " and resid 403 and name HB2 )) (( segid " " and resid 405 and name HN )) 3.900 1.900 1.900 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.87144E-03 ppm1 1.923 ppm2 6.836 CV 1 ASSI { 1240} (( segid " " and resid 397 and name HA )) ( segid " " and resid 407 and name HD% ) 4.100 2.100 1.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.86787E-03 ppm1 4.069 ppm2 6.771 CV 1 ASSI { 1248} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 384 and name HN )) 3.900 1.900 1.900 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.85713E-03 ppm1 0.856 ppm2 8.313 CV 1 ASSI { 1252} (( segid " " and resid 392 and name HB2 )) (( segid " " and resid 407 and name HZ )) 3.700 1.700 1.700 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.87857E-03 ppm1 3.129 ppm2 6.926 CV 1 ASSI { 1254} (( segid " " and resid 407 and name HB2 )) ( segid " " and resid 407 and name HE% ) 4.100 2.100 1.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.83931E-03 ppm1 2.960 ppm2 7.076 CV 1 ASSI { 1255} (( segid " " and resid 394 and name HG2 )) ( segid " " and resid 407 and name HD% ) 4.000 2.000 2.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.83570E-03 ppm1 1.214 ppm2 6.768 CV 1 ASSI { 1257} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 419 and name HN )) 3.900 1.900 1.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 0.879 ppm2 8.480 CV 1 ASSI { 1262} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 402 and name HN )) 3.800 1.800 1.800 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.82501E-03 ppm1 1.460 ppm2 9.096 CV 1 OR { 1262} (( segid " " and resid 401 and name HG1 )) (( segid " " and resid 402 and name HN )) ASSI { 1266} (( segid " " and resid 394 and name HG1 )) ( segid " " and resid 407 and name HE% ) 3.600 1.600 1.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.80714E-03 ppm1 1.425 ppm2 7.077 CV 1 ASSI { 1268} (( segid " " and resid 397 and name HB2 )) (( segid " " and resid 407 and name HN )) 3.800 1.800 1.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.80357E-03 ppm1 3.052 ppm2 9.048 CV 1 ASSI { 1269} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 422 and name HN )) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.85713E-03 ppm1 0.873 ppm2 8.292 CV 1 OR { 1269} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 422 and name HN )) ASSI { 1273} (( segid " " and resid 394 and name HA )) (( segid " " and resid 396 and name HN )) 3.600 1.600 1.600 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.78927E-03 ppm1 2.775 ppm2 7.774 CV 1 ASSI { 1285} (( segid " " and resid 393 and name HA )) (( segid " " and resid 393 and name HD21)) 3.700 1.700 1.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.76071E-03 ppm1 4.541 ppm2 7.667 CV 1 ASSI { 1288} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 423 and name HN )) 4.200 2.200 1.800 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.75714E-03 ppm1 1.636 ppm2 7.938 CV 1 OR { 1288} (( segid " " and resid 424 and name HB1 )) (( segid " " and resid 423 and name HN )) ASSI { 1292} (( segid " " and resid 416 and name HG )) (( segid " " and resid 416 and name HB2 )) 3.100 1.200 1.200 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 1.011 ppm2 1.623 CV 1 ASSI { 1295} (( segid " " and resid 419 and name HB1 )) (( segid " " and resid 420 and name HN )) 3.500 1.600 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 2.491 ppm2 7.666 CV 1 ASSI { 1299} (( segid " " and resid 392 and name HB1 )) (( segid " " and resid 412 and name HD22)) 3.500 1.500 1.500 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.73571E-03 ppm1 2.705 ppm2 6.890 CV 1 ASSI { 1302} (( segid " " and resid 394 and name HB2 )) ( segid " " and resid 407 and name HE% ) 3.300 1.400 1.400 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.72858E-03 ppm1 0.796 ppm2 7.080 CV 1 ASSI { 1305} (( segid " " and resid 412 and name HB1 )) (( segid " " and resid 413 and name HN )) 3.700 1.800 1.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.72146E-03 ppm1 2.444 ppm2 6.798 CV 1 ASSI { 1313} (( segid " " and resid 394 and name HG2 )) (( segid " " and resid 395 and name HN )) 3.600 1.600 1.600 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.71071E-03 ppm1 1.212 ppm2 8.028 CV 1 ASSI { 1318} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 393 and name HD22)) 3.900 1.900 1.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.70715E-03 ppm1 1.722 ppm2 6.854 CV 1 OR { 1318} (( segid " " and resid 395 and name HB1 )) (( segid " " and resid 393 and name HD22)) ASSI { 1333} (( segid " " and resid 393 and name HA )) (( segid " " and resid 393 and name HD22)) 4.000 2.000 2.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.68928E-03 ppm1 4.546 ppm2 6.856 CV 1 ASSI { 1339} (( segid " " and resid 416 and name HA )) (( segid " " and resid 405 and name HA )) 2.600 0.800 0.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.30143E-02 ppm1 4.495 ppm2 5.306 CV 1 ASSI { 2131} (( segid " " and resid 405 and name HA )) ( segid " " and resid 416 and name HD1%) 3.200 1.300 1.300 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.17214E-02 ppm1 5.301 ppm2 0.861 CV 1 ASSI { 2132} (( segid " " and resid 405 and name HA )) ( segid " " and resid 406 and name HG1%) 3.500 1.600 1.600 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.14893E-02 ppm1 5.303 ppm2 0.814 CV 1 OR { 2132} (( segid " " and resid 405 and name HA )) ( segid " " and resid 406 and name HG2%) ASSI { 2192} (( segid " " and resid 382 and name HA )) (( segid " " and resid 382 and name HB1 )) 2.300 0.700 0.700 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.83357E-02 ppm1 4.488 ppm2 2.791 CV 1 OR { 2192} (( segid " " and resid 382 and name HA )) (( segid " " and resid 382 and name HB2 )) ASSI { 2195} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 394 and name HA )) 2.500 0.800 0.800 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.33786E-02 ppm1 0.792 ppm2 2.770 CV 1 ASSI { 2228} (( segid " " and resid 389 and name HA )) ( segid " " and resid 389 and name HB% ) 2.200 0.600 0.600 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.11011E-01 ppm1 4.087 ppm2 1.436 CV 1 ASSI { 2230} (( segid " " and resid 409 and name HB )) ( segid " " and resid 409 and name HG2%) 2.200 0.600 0.600 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.98895E-02 ppm1 4.333 ppm2 1.356 CV 1 ASSI { 2235} (( segid " " and resid 402 and name HA )) (( segid " " and resid 402 and name HB1 )) 2.400 0.700 0.700 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.63142E-02 ppm1 4.178 ppm2 1.973 CV 1 ASSI { 2240} (( segid " " and resid 385 and name HA )) (( segid " " and resid 385 and name HB1 )) 2.400 0.700 0.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.51930E-02 ppm1 3.888 ppm2 1.835 CV 1 OR { 2240} (( segid " " and resid 385 and name HA )) (( segid " " and resid 385 and name HB2 )) ASSI { 2246} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HB1 )) 2.400 0.700 0.700 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.43143E-02 ppm1 3.938 ppm2 2.018 CV 1 ASSI { 2248} (( segid " " and resid 402 and name HA )) (( segid " " and resid 402 and name HB2 )) 2.700 0.900 0.900 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.41715E-02 ppm1 4.182 ppm2 2.053 CV 1 ASSI { 2250} (( segid " " and resid 424 and name HA )) (( segid " " and resid 424 and name HB2 )) 2.600 0.900 0.900 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.37536E-02 ppm1 4.189 ppm2 1.649 CV 1 OR { 2250} (( segid " " and resid 424 and name HA )) (( segid " " and resid 424 and name HB1 )) ASSI { 2251} (( segid " " and resid 384 and name HA )) (( segid " " and resid 384 and name HG2 )) 2.600 0.900 0.900 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.36679E-02 ppm1 3.811 ppm2 2.233 CV 1 OR { 2251} (( segid " " and resid 384 and name HA )) (( segid " " and resid 384 and name HG1 )) ASSI { 2254} (( segid " " and resid 375 and name HA )) (( segid " " and resid 375 and name HB2 )) 2.800 0.900 0.900 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.38250E-02 ppm1 4.223 ppm2 1.995 CV 1 ASSI { 2257} (( segid " " and resid 398 and name HA )) (( segid " " and resid 398 and name HG2 )) 2.800 1.000 1.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.20393E-02 ppm1 3.936 ppm2 2.320 CV 1 ASSI { 2259} (( segid " " and resid 410 and name HA )) (( segid " " and resid 410 and name HG1 )) 2.800 1.000 1.000 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.31179E-02 ppm1 4.108 ppm2 2.126 CV 1 OR { 2259} (( segid " " and resid 410 and name HA )) (( segid " " and resid 410 and name HG2 )) ASSI { 2260} (( segid " " and resid 383 and name HA )) (( segid " " and resid 383 and name HD2 )) 2.600 0.800 0.800 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.29965E-02 ppm1 3.942 ppm2 1.605 CV 1 OR { 2260} (( segid " " and resid 383 and name HA )) (( segid " " and resid 383 and name HD1 )) ASSI { 2262} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HG2 )) 2.700 0.900 0.900 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.42858E-02 ppm1 4.082 ppm2 1.402 CV 1 OR { 2262} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HG1 )) ASSI { 2264} (( segid " " and resid 438 and name HA )) ( segid " " and resid 438 and name HB% ) 2.600 0.900 0.900 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.37893E-02 ppm1 4.195 ppm2 1.282 CV 1 ASSI { 2269} (( segid " " and resid 424 and name HA )) (( segid " " and resid 424 and name HG )) 2.900 1.000 1.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.26464E-02 ppm1 4.188 ppm2 1.478 CV 1 ASSI { 2276} (( segid " " and resid 381 and name HA )) (( segid " " and resid 381 and name HG2 )) 3.000 1.100 1.100 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 4.029 ppm2 2.166 CV 1 OR { 2276} (( segid " " and resid 381 and name HA )) (( segid " " and resid 381 and name HG1 )) ASSI { 2278} (( segid " " and resid 376 and name HA )) (( segid " " and resid 376 and name HB2 )) 3.000 1.100 1.100 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.22214E-02 ppm1 4.309 ppm2 2.041 CV 1 ASSI { 2282} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HG2 )) 3.000 1.200 1.200 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.22822E-02 ppm1 4.179 ppm2 2.173 CV 1 OR { 2282} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HG1 )) ASSI { 2284} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HB1 )) 2.800 1.000 1.000 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 4.347 ppm2 2.092 CV 1 ASSI { 2285} (( segid " " and resid 391 and name HA )) (( segid " " and resid 391 and name HG2 )) 2.800 0.900 0.900 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.20679E-02 ppm1 3.868 ppm2 1.410 CV 1 ASSI { 2287} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HB1 )) 2.800 1.000 1.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 4.258 ppm2 1.791 CV 1 ASSI { 2295} (( segid " " and resid 378 and name HA )) (( segid " " and resid 378 and name HB2 )) 2.900 1.100 1.100 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.18464E-02 ppm1 4.302 ppm2 1.883 CV 1 ASSI { 2296} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG2 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.21179E-02 ppm1 4.153 ppm2 2.151 CV 1 OR { 2296} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG1 )) ASSI { 2297} (( segid " " and resid 422 and name HA )) (( segid " " and resid 422 and name HG2 )) 3.100 1.200 1.200 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.28000E-02 ppm1 4.073 ppm2 2.164 CV 1 ASSI { 2300} (( segid " " and resid 391 and name HA )) (( segid " " and resid 391 and name HG1 )) 3.300 1.400 1.400 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.17429E-02 ppm1 3.857 ppm2 1.494 CV 1 ASSI { 2301} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HG1 )) 2.800 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.30393E-02 ppm1 4.239 ppm2 1.303 CV 1 OR { 2301} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HG2 )) ASSI { 2302} (( segid " " and resid 422 and name HA )) (( segid " " and resid 422 and name HG1 )) 3.100 1.200 1.200 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.15357E-02 ppm1 4.065 ppm2 2.239 CV 1 ASSI { 2309} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HD2 )) 3.700 1.700 1.700 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 4.351 ppm2 1.506 CV 1 ASSI { 2311} (( segid " " and resid 395 and name HA )) (( segid " " and resid 398 and name HG1 )) 3.200 1.300 1.300 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 3.878 ppm2 2.183 CV 1 ASSI { 2312} (( segid " " and resid 378 and name HA )) (( segid " " and resid 378 and name HG2 )) 3.300 1.400 1.400 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.13214E-02 ppm1 4.289 ppm2 2.215 CV 1 OR { 2312} (( segid " " and resid 378 and name HA )) (( segid " " and resid 378 and name HG1 )) ASSI { 2334} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 421 and name HA )) 3.500 1.500 1.500 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.11036E-02 ppm1 0.875 ppm2 3.999 CV 1 OR { 2334} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 421 and name HA )) ASSI { 2366} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB1 )) 2.400 0.700 0.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.67894E-02 ppm1 4.616 ppm2 2.851 CV 1 OR { 2366} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB2 )) ASSI { 2367} (( segid " " and resid 419 and name HA )) (( segid " " and resid 419 and name HB2 )) 2.500 0.800 0.800 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.59929E-02 ppm1 4.448 ppm2 2.587 CV 1 ASSI { 2368} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB1 )) 2.500 0.800 0.800 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.50034E-02 ppm1 4.617 ppm2 2.800 CV 1 ASSI { 2376} (( segid " " and resid 435 and name HA )) (( segid " " and resid 435 and name HB1 )) 2.700 0.900 0.900 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.30608E-02 ppm1 4.512 ppm2 2.518 CV 1 ASSI { 2377} (( segid " " and resid 387 and name HA )) (( segid " " and resid 387 and name HB2 )) 2.800 1.000 1.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.40536E-02 ppm1 4.478 ppm2 2.646 CV 1 ASSI { 2378} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB2 )) 2.800 1.000 1.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.34929E-02 ppm1 4.615 ppm2 2.883 CV 1 ASSI { 2385} (( segid " " and resid 435 and name HA )) (( segid " " and resid 439 and name HB1 )) 2.900 1.000 1.000 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.32250E-02 ppm1 4.523 ppm2 2.677 CV 1 ASSI { 2402} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HG )) 3.000 1.100 1.100 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 4.452 ppm2 1.697 CV 1 ASSI { 2404} (( segid " " and resid 439 and name HA )) (( segid " " and resid 439 and name HB2 )) 3.000 1.100 1.100 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.17964E-02 ppm1 4.683 ppm2 2.792 CV 1 ASSI { 2412} (( segid " " and resid 408 and name HA )) (( segid " " and resid 408 and name HB1 )) 3.200 1.300 1.300 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.17321E-02 ppm1 4.566 ppm2 3.058 CV 1 ASSI { 2413} (( segid " " and resid 407 and name HA )) (( segid " " and resid 407 and name HB2 )) 2.800 1.000 1.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.17179E-02 ppm1 4.559 ppm2 2.971 CV 1 ASSI { 2433} (( segid " " and resid 415 and name HA )) (( segid " " and resid 415 and name HB2 )) 2.700 0.900 0.900 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.27464E-02 ppm1 4.573 ppm2 1.946 CV 1 OR { 2433} (( segid " " and resid 415 and name HA )) (( segid " " and resid 415 and name HB1 )) ASSI { 2435} (( segid " " and resid 415 and name HA )) (( segid " " and resid 387 and name HB1 )) 3.000 1.100 1.100 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 4.566 ppm2 2.483 CV 1 ASSI { 2461} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HB2 )) 2.700 0.900 0.900 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.28250E-02 ppm1 4.454 ppm2 1.728 CV 1 OR { 2461} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HB1 )) ASSI { 2462} (( segid " " and resid 393 and name HA )) (( segid " " and resid 394 and name HA )) 3.900 1.900 1.900 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 4.549 ppm2 2.771 CV 1 ASSI { 2471} (( segid " " and resid 389 and name HA )) (( segid " " and resid 388 and name HB2 )) 3.500 1.500 1.500 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.10286E-02 ppm1 4.082 ppm2 2.752 CV 1 OR { 2471} (( segid " " and resid 389 and name HA )) (( segid " " and resid 388 and name HB1 )) ASSI { 2473} (( segid " " and resid 381 and name HA )) (( segid " " and resid 382 and name HB2 )) 4.100 2.100 1.900 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.96430E-03 ppm1 4.025 ppm2 2.788 CV 1 OR { 2473} (( segid " " and resid 381 and name HA )) (( segid " " and resid 382 and name HB1 )) ASSI { 2475} (( segid " " and resid 379 and name HA )) (( segid " " and resid 382 and name HB2 )) 4.200 2.300 1.800 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.90000E-03 ppm1 4.356 ppm2 2.786 CV 1 OR { 2475} (( segid " " and resid 379 and name HA )) (( segid " " and resid 382 and name HB1 )) ASSI { 2483} (( segid " " and resid 406 and name HA )) (( segid " " and resid 401 and name HE2 )) 3.300 1.400 1.400 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.83570E-03 ppm1 4.361 ppm2 2.977 CV 1 OR { 2483} (( segid " " and resid 406 and name HA )) (( segid " " and resid 401 and name HE1 )) ASSI { 2492} (( segid " " and resid 400 and name HA )) (( segid " " and resid 399 and name HB2 )) 3.800 1.800 1.800 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 4.456 ppm2 2.852 CV 1 ASSI { 2530} (( segid " " and resid 408 and name HA )) (( segid " " and resid 408 and name HB2 )) 2.700 0.900 0.900 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.23322E-02 ppm1 4.575 ppm2 2.202 CV 1 ASSI { 2538} (( segid " " and resid 415 and name HA )) (( segid " " and resid 415 and name HG2 )) 2.900 1.100 1.100 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.21964E-02 ppm1 4.574 ppm2 1.835 CV 1 OR { 2538} (( segid " " and resid 415 and name HA )) (( segid " " and resid 415 and name HG1 )) ASSI { 2554} (( segid " " and resid 419 and name HA )) (( segid " " and resid 422 and name HB1 )) 3.000 1.100 1.100 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.20500E-02 ppm1 4.448 ppm2 1.913 CV 1 OR { 2554} (( segid " " and resid 419 and name HA )) (( segid " " and resid 422 and name HB2 )) ASSI { 2555} (( segid " " and resid 382 and name HA )) (( segid " " and resid 385 and name HB2 )) 2.800 1.000 1.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.20286E-02 ppm1 4.489 ppm2 1.836 CV 1 OR { 2555} (( segid " " and resid 382 and name HA )) (( segid " " and resid 385 and name HB1 )) ASSI { 2557} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HB1 )) 2.800 1.000 1.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.19965E-02 ppm1 4.420 ppm2 1.426 CV 1 OR { 2557} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HB2 )) ASSI { 2567} (( segid " " and resid 407 and name HA )) (( segid " " and resid 394 and name HG1 )) 3.900 1.900 1.900 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.75358E-03 ppm1 4.560 ppm2 1.437 CV 1 ASSI { 2591} (( segid " " and resid 431 and name HB )) ( segid " " and resid 431 and name HG2%) 2.200 0.600 0.600 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.96034E-02 ppm1 4.171 ppm2 1.121 CV 1 ASSI { 2610} (( segid " " and resid 377 and name HB )) ( segid " " and resid 377 and name HG2%) 2.400 0.700 0.700 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.57429E-02 ppm1 4.134 ppm2 1.143 CV 1 ASSI { 2614} (( segid " " and resid 441 and name HB )) ( segid " " and resid 441 and name HG2%) 2.200 0.600 0.600 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.96034E-02 ppm1 4.195 ppm2 1.143 CV 1 ASSI { 2618} (( segid " " and resid 416 and name HA )) (( segid " " and resid 416 and name HG )) 3.300 1.300 1.300 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.10107E-02 ppm1 4.496 ppm2 1.009 CV 1 ASSI { 2732} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HG1 )) 3.500 1.500 1.500 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.80357E-03 ppm1 4.417 ppm2 1.066 CV 1 OR { 2732} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HG2 )) ASSI { 2950} (( segid " " and resid 384 and name HB1 )) (( segid " " and resid 384 and name HA )) 2.400 0.700 0.700 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.56395E-02 ppm1 2.015 ppm2 3.811 CV 1 OR { 2950} (( segid " " and resid 384 and name HB2 )) (( segid " " and resid 384 and name HA )) ASSI { 2951} (( segid " " and resid 381 and name HB2 )) (( segid " " and resid 381 and name HA )) 2.500 0.800 0.800 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.59177E-02 ppm1 1.905 ppm2 4.035 CV 1 OR { 2951} (( segid " " and resid 381 and name HB1 )) (( segid " " and resid 381 and name HA )) ASSI { 2954} (( segid " " and resid 425 and name HB2 )) (( segid " " and resid 425 and name HA )) 2.600 0.800 0.800 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.51108E-02 ppm1 1.931 ppm2 4.143 CV 1 OR { 2954} (( segid " " and resid 425 and name HB1 )) (( segid " " and resid 425 and name HA )) ASSI { 2956} (( segid " " and resid 420 and name HB )) (( segid " " and resid 420 and name HA )) 2.600 0.800 0.800 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.47286E-02 ppm1 2.021 ppm2 3.869 CV 1 ASSI { 2960} (( segid " " and resid 398 and name HB2 )) (( segid " " and resid 398 and name HA )) 2.700 0.900 0.900 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.40929E-02 ppm1 2.110 ppm2 3.937 CV 1 ASSI { 2961} (( segid " " and resid 421 and name HB2 )) (( segid " " and resid 421 and name HA )) 2.500 0.800 0.800 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.38821E-02 ppm1 1.642 ppm2 4.003 CV 1 ASSI { 2962} (( segid " " and resid 401 and name HB1 )) (( segid " " and resid 401 and name HA )) 2.800 1.000 1.000 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.38357E-02 ppm1 2.149 ppm2 4.257 CV 1 ASSI { 2965} (( segid " " and resid 417 and name HB1 )) (( segid " " and resid 417 and name HA )) 2.700 0.900 0.900 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.35714E-02 ppm1 1.777 ppm2 4.073 CV 1 ASSI { 2970} (( segid " " and resid 383 and name HB1 )) (( segid " " and resid 383 and name HA )) 2.500 0.800 0.800 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.30000E-02 ppm1 1.885 ppm2 3.939 CV 1 ASSI { 2971} (( segid " " and resid 384 and name HB2 )) (( segid " " and resid 381 and name HA )) 2.700 0.900 0.900 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.29893E-02 ppm1 2.014 ppm2 4.029 CV 1 OR { 2971} (( segid " " and resid 384 and name HB1 )) (( segid " " and resid 381 and name HA )) ASSI { 2973} (( segid " " and resid 398 and name HG1 )) (( segid " " and resid 398 and name HA )) 3.100 1.200 1.200 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.29571E-02 ppm1 2.218 ppm2 3.937 CV 1 ASSI { 2981} (( segid " " and resid 421 and name HB1 )) (( segid " " and resid 421 and name HA )) 3.000 1.100 1.100 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.24357E-02 ppm1 1.788 ppm2 4.006 CV 1 ASSI { 2984} (( segid " " and resid 401 and name HG1 )) (( segid " " and resid 401 and name HA )) 2.900 1.000 1.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.21143E-02 ppm1 1.462 ppm2 4.256 CV 1 OR { 2984} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 401 and name HA )) ASSI { 2985} (( segid " " and resid 395 and name HD2 )) (( segid " " and resid 395 and name HA )) 3.200 1.300 1.300 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.21036E-02 ppm1 1.575 ppm2 3.884 CV 1 OR { 2985} (( segid " " and resid 395 and name HD1 )) (( segid " " and resid 395 and name HA )) ASSI { 2989} (( segid " " and resid 398 and name HB2 )) (( segid " " and resid 395 and name HA )) 2.700 0.900 0.900 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.19786E-02 ppm1 2.106 ppm2 3.881 CV 1 ASSI { 3000} (( segid " " and resid 383 and name HB2 )) (( segid " " and resid 383 and name HA )) 2.900 1.000 1.000 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.19143E-02 ppm1 1.759 ppm2 3.935 CV 1 ASSI { 3004} (( segid " " and resid 385 and name HD1 )) (( segid " " and resid 385 and name HA )) 2.900 1.000 1.000 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.19500E-02 ppm1 1.607 ppm2 3.885 CV 1 ASSI { 3009} (( segid " " and resid 383 and name HG1 )) (( segid " " and resid 383 and name HA )) 2.300 0.700 0.700 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.59038E-02 ppm1 1.408 ppm2 3.941 CV 1 OR { 3009} (( segid " " and resid 383 and name HG2 )) (( segid " " and resid 383 and name HA )) ASSI { 3012} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 395 and name HA )) 3.100 1.200 1.200 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.15286E-02 ppm1 1.301 ppm2 3.878 CV 1 OR { 3012} (( segid " " and resid 395 and name HG1 )) (( segid " " and resid 395 and name HA )) ASSI { 3014} (( segid " " and resid 416 and name HB1 )) (( segid " " and resid 384 and name HA )) 3.500 1.500 1.500 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.14714E-02 ppm1 1.687 ppm2 3.815 CV 1 ASSI { 3018} (( segid " " and resid 423 and name HG1 )) (( segid " " and resid 423 and name HA )) 2.700 0.900 0.900 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.27964E-02 ppm1 1.314 ppm2 4.131 CV 1 ASSI { 3019} (( segid " " and resid 416 and name HB2 )) (( segid " " and resid 384 and name HA )) 2.800 1.000 1.000 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 1.601 ppm2 3.812 CV 1 ASSI { 3022} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 398 and name HA )) 3.500 1.600 1.600 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.15464E-02 ppm1 1.444 ppm2 3.947 CV 1 OR { 3022} (( segid " " and resid 401 and name HG1 )) (( segid " " and resid 398 and name HA )) ASSI { 3030} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 409 and name HA )) 2.300 0.700 0.700 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.68606E-02 ppm1 7.080 ppm2 3.935 CV 1 ASSI { 3043} (( segid " " and resid 409 and name HN )) (( segid " " and resid 409 and name HA )) 2.600 0.800 0.800 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.41036E-02 ppm1 8.404 ppm2 3.933 CV 1 ASSI { 3085} (( segid " " and resid 399 and name HN )) (( segid " " and resid 396 and name HA )) 3.000 1.100 1.100 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.19357E-02 ppm1 7.621 ppm2 3.963 CV 1 ASSI { 3090} (( segid " " and resid 379 and name HN )) (( segid " " and resid 379 and name HB1 )) 2.900 1.000 1.000 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.25000E-02 ppm1 8.321 ppm2 3.854 CV 1 ASSI { 3096} (( segid " " and resid 403 and name HN )) (( segid " " and resid 402 and name HA )) 3.100 1.200 1.200 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.15750E-02 ppm1 7.588 ppm2 4.188 CV 1 ASSI { 3100} (( segid " " and resid 436 and name HN )) (( segid " " and resid 436 and name HA )) 3.100 1.200 1.200 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.17750E-02 ppm1 8.322 ppm2 4.154 CV 1 ASSI { 3105} (( segid " " and resid 380 and name HN )) (( segid " " and resid 379 and name HB2 )) 3.000 1.100 1.100 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 8.600 ppm2 3.996 CV 1 ASSI { 3107} (( segid " " and resid 412 and name HN )) (( segid " " and resid 411 and name HA )) 3.300 1.300 1.300 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.13071E-02 ppm1 7.901 ppm2 4.230 CV 1 ASSI { 3110} (( segid " " and resid 411 and name HN )) (( segid " " and resid 410 and name HA )) 3.300 1.300 1.300 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.12250E-02 ppm1 7.300 ppm2 4.111 CV 1 ASSI { 3117} (( segid " " and resid 431 and name HN )) (( segid " " and resid 431 and name HB )) 2.900 1.000 1.000 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.27893E-02 ppm1 8.046 ppm2 4.179 CV 1 ASSI { 3137} (( segid " " and resid 409 and name HN )) ( segid " " and resid 409 and name HG2%) 2.300 0.700 0.700 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.66359E-02 ppm1 8.398 ppm2 1.355 CV 1 ASSI { 3138} (( segid " " and resid 399 and name HN )) (( segid " " and resid 399 and name HB2 )) 2.300 0.700 0.700 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.65819E-02 ppm1 7.624 ppm2 2.853 CV 1 ASSI { 3171} (( segid " " and resid 417 and name HN )) ( segid " " and resid 406 and name HG1%) 2.700 0.900 0.900 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.30286E-02 ppm1 8.528 ppm2 0.814 CV 1 OR { 3171} (( segid " " and resid 417 and name HN )) ( segid " " and resid 406 and name HG2%) ASSI { 3190} (( segid " " and resid 400 and name HN )) (( segid " " and resid 400 and name HB2 )) 2.900 1.100 1.100 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.24965E-02 ppm1 7.474 ppm2 1.733 CV 1 OR { 3190} (( segid " " and resid 400 and name HN )) (( segid " " and resid 400 and name HB1 )) ASSI { 3193} (( segid " " and resid 394 and name HN )) (( segid " " and resid 394 and name HG1 )) 3.100 1.200 1.200 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.24572E-02 ppm1 8.160 ppm2 1.406 CV 1 ASSI { 3215} (( segid " " and resid 410 and name HN )) (( segid " " and resid 410 and name HG2 )) 3.200 1.300 1.300 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.21071E-02 ppm1 8.322 ppm2 2.119 CV 1 OR { 3215} (( segid " " and resid 410 and name HN )) (( segid " " and resid 410 and name HG1 )) ASSI { 3239} (( segid " " and resid 416 and name HN )) (( segid " " and resid 383 and name HB1 )) 3.500 3.500 2.500 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.17893E-02 ppm1 8.655 ppm2 1.909 CV 1 ASSI { 3241} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 399 and name HB2 )) 3.700 1.700 1.700 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.17679E-02 ppm1 6.784 ppm2 2.853 CV 1 OR { 3241} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 399 and name HB1 )) ASSI { 3302} (( segid " " and resid 416 and name HN )) (( segid " " and resid 415 and name HB2 )) 3.200 1.300 1.300 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 8.651 ppm2 1.972 CV 1 OR { 3302} (( segid " " and resid 416 and name HN )) (( segid " " and resid 415 and name HB1 )) ASSI { 3307} (( segid " " and resid 408 and name HN )) (( segid " " and resid 407 and name HB2 )) 3.700 1.800 1.800 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.13036E-02 ppm1 8.008 ppm2 2.971 CV 1 ASSI { 3316} (( segid " " and resid 394 and name HE21)) (( segid " " and resid 394 and name HB1 )) 3.400 1.400 1.400 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.12286E-02 ppm1 7.389 ppm2 1.357 CV 1 ASSI { 3318} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 394 and name HG1 )) 2.900 1.100 1.100 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 6.776 ppm2 1.405 CV 1 ASSI { 3321} (( segid " " and resid 435 and name HN )) (( segid " " and resid 435 and name HB2 )) 3.300 1.300 1.300 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 8.339 ppm2 2.622 CV 1 ASSI { 3343} (( segid " " and resid 394 and name HE22)) (( segid " " and resid 394 and name HB1 )) 3.800 1.800 1.800 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 6.587 ppm2 1.360 CV 1 ASSI { 3354} (( segid " " and resid 390 and name HN )) ( segid " " and resid 400 and name HD2%) 3.400 1.500 1.500 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.10107E-02 ppm1 7.173 ppm2 0.901 CV 1 ASSI { 3367} (( segid " " and resid 402 and name HN )) (( segid " " and resid 402 and name HB1 )) 3.100 1.200 1.200 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.21571E-02 ppm1 9.092 ppm2 1.938 CV 1 ASSI { 3386} (( segid " " and resid 425 and name HN )) ( segid " " and resid 424 and name HD2%) 2.900 1.100 1.100 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.83570E-03 ppm1 8.252 ppm2 0.781 CV 1 OR { 3386} (( segid " " and resid 425 and name HN )) ( segid " " and resid 424 and name HD1%) ASSI { 3422} (( segid " " and resid 408 and name HN )) (( segid " " and resid 407 and name HB1 )) 3.800 1.800 1.800 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.72858E-03 ppm1 8.007 ppm2 2.609 CV 1 ASSI { 3608} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 386 and name HG12)) 2.300 0.600 0.600 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.71962E-02 ppm1 0.772 ppm2 1.206 CV 1 ASSI { 3612} ( segid " " and resid 400 and name HD2%) (( segid " " and resid 400 and name HG )) 2.200 0.600 0.600 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.62285E-02 ppm1 0.897 ppm2 1.693 CV 1 ASSI { 3614} ( segid " " and resid 400 and name HD2%) (( segid " " and resid 400 and name HB2 )) 2.400 0.700 0.700 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.54534E-02 ppm1 0.898 ppm2 1.731 CV 1 OR { 3614} ( segid " " and resid 400 and name HD2%) (( segid " " and resid 400 and name HB1 )) ASSI { 3619} ( segid " " and resid 400 and name HD1%) (( segid " " and resid 400 and name HB1 )) 2.500 0.800 0.800 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.44714E-02 ppm1 0.711 ppm2 1.729 CV 1 OR { 3619} ( segid " " and resid 400 and name HD1%) (( segid " " and resid 400 and name HB2 )) ASSI { 3622} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 394 and name HG1 )) 2.400 0.700 0.700 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.41857E-02 ppm1 0.796 ppm2 1.444 CV 1 ASSI { 3623} ( segid " " and resid 424 and name HD1%) (( segid " " and resid 424 and name HG )) 2.500 0.800 0.800 peak 3623 spectrum 1 weight 0.10000E+01 volume 0.42072E-02 ppm1 0.789 ppm2 1.481 CV 1 OR { 3623} ( segid " " and resid 424 and name HD2%) (( segid " " and resid 424 and name HG )) ASSI { 3624} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 386 and name HB )) 2.600 0.800 0.800 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.37965E-02 ppm1 0.776 ppm2 2.019 CV 1 ASSI { 3625} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 383 and name HB2 )) 2.900 1.100 1.100 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.32250E-02 ppm1 0.786 ppm2 1.780 CV 1 ASSI { 3626} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 384 and name HG1 )) 2.700 2.700 3.300 peak 3626 spectrum 1 weight 0.10000E+01 volume 0.29357E-02 ppm1 0.781 ppm2 2.236 CV 1 ASSI { 3632} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 383 and name HG2 )) 2.800 1.000 1.000 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.27250E-02 ppm1 0.886 ppm2 1.395 CV 1 OR { 3632} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 383 and name HG1 )) ASSI { 3633} ( segid " " and resid 400 and name HD1%) ( segid " " and resid 400 and name HD2%) 2.200 0.600 0.600 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.12125E-01 ppm1 0.711 ppm2 0.902 CV 1 ASSI { 3635} ( segid " " and resid 400 and name HD1%) (( segid " " and resid 403 and name HD2 )) 3.300 1.300 1.300 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.12250E-02 ppm1 0.710 ppm2 1.496 CV 1 ASSI { 3639} (( segid " " and resid 406 and name HB )) ( segid " " and resid 406 and name HG1%) 2.200 0.600 0.600 peak 3639 spectrum 1 weight 0.10000E+01 volume 0.90500E-02 ppm1 1.939 ppm2 0.804 CV 1 OR { 3639} (( segid " " and resid 406 and name HB )) ( segid " " and resid 406 and name HG2%) ASSI { 3641} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 384 and name HG1 )) 3.500 3.500 2.500 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.10857E-02 ppm1 0.865 ppm2 2.236 CV 1 ASSI { 3642} ( segid " " and resid 400 and name HD2%) (( segid " " and resid 405 and name HB1 )) 2.800 2.800 3.200 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.98930E-03 ppm1 0.896 ppm2 2.159 CV 1 ASSI { 3645} (( segid " " and resid 420 and name HB )) ( segid " " and resid 420 and name HG2%) 2.200 0.600 0.600 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.90144E-02 ppm1 2.036 ppm2 0.875 CV 1 OR { 3645} (( segid " " and resid 420 and name HB )) ( segid " " and resid 420 and name HG1%) ASSI { 3652} ( segid " " and resid 386 and name HG2%) ( segid " " and resid 400 and name HD1%) 2.300 0.600 0.600 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.78605E-02 ppm1 0.843 ppm2 0.713 CV 1 ASSI { 3654} (( segid " " and resid 416 and name HG )) ( segid " " and resid 416 and name HD1%) 2.500 0.800 0.800 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.34608E-02 ppm1 1.011 ppm2 0.859 CV 1 ASSI { 3655} (( segid " " and resid 386 and name HG12)) ( segid " " and resid 386 and name HG2%) 2.600 0.800 0.800 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.33572E-02 ppm1 1.197 ppm2 0.844 CV 1 ASSI { 3656} (( segid " " and resid 416 and name HG )) ( segid " " and resid 416 and name HD2%) 2.600 0.800 0.800 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.32500E-02 ppm1 1.004 ppm2 0.778 CV 1 ASSI { 3659} (( segid " " and resid 400 and name HG )) ( segid " " and resid 400 and name HD1%) 2.100 0.600 0.600 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.77680E-02 ppm1 1.664 ppm2 0.713 CV 1 ASSI { 3660} (( segid " " and resid 394 and name HB1 )) (( segid " " and resid 394 and name HB2 )) 1.900 0.500 0.500 peak 3660 spectrum 1 weight 0.10000E+01 volume 0.68715E-02 ppm1 1.352 ppm2 0.788 CV 1 ASSI { 3663} (( segid " " and resid 413 and name HB1 )) (( segid " " and resid 413 and name HG1 )) 2.600 0.800 0.800 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.35679E-02 ppm1 1.447 ppm2 1.054 CV 1 OR { 3663} (( segid " " and resid 413 and name HB2 )) (( segid " " and resid 413 and name HG2 )) OR { 3663} (( segid " " and resid 413 and name HB2 )) (( segid " " and resid 413 and name HG1 )) OR { 3663} (( segid " " and resid 413 and name HB1 )) (( segid " " and resid 413 and name HG2 )) ASSI { 3664} (( segid " " and resid 413 and name HD1 )) (( segid " " and resid 413 and name HG1 )) 2.800 1.000 1.000 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.24715E-02 ppm1 1.329 ppm2 1.084 CV 1 OR { 3664} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 413 and name HG2 )) OR { 3664} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 413 and name HG1 )) OR { 3664} (( segid " " and resid 413 and name HD1 )) (( segid " " and resid 413 and name HG2 )) ASSI { 3669} ( segid " " and resid 389 and name HB% ) ( segid " " and resid 400 and name HD2%) 3.200 1.300 1.300 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 1.445 ppm2 0.897 CV 1 ASSI { 3670} (( segid " " and resid 416 and name HB1 )) ( segid " " and resid 416 and name HD1%) 2.900 1.000 1.000 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.49214E-02 ppm1 1.675 ppm2 0.862 CV 1 ASSI { 3673} (( segid " " and resid 383 and name HB1 )) ( segid " " and resid 416 and name HD1%) 2.400 0.700 0.700 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.31179E-02 ppm1 1.884 ppm2 0.858 CV 1 ASSI { 3678} (( segid " " and resid 383 and name HB1 )) ( segid " " and resid 416 and name HD2%) 2.200 0.600 0.600 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.51212E-02 ppm1 1.890 ppm2 0.781 CV 1 ASSI { 3679} (( segid " " and resid 417 and name HB1 )) ( segid " " and resid 406 and name HG2%) 2.700 0.900 0.900 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.29107E-02 ppm1 1.784 ppm2 0.810 CV 1 OR { 3679} (( segid " " and resid 417 and name HB1 )) ( segid " " and resid 406 and name HG1%) ASSI { 3685} (( segid " " and resid 399 and name HB2 )) ( segid " " and resid 400 and name HD1%) 3.900 1.900 1.900 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.13107E-02 ppm1 2.858 ppm2 0.712 CV 1 ASSI { 3687} (( segid " " and resid 403 and name HB1 )) ( segid " " and resid 386 and name HG2%) 2.700 2.700 3.300 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.36036E-02 ppm1 2.094 ppm2 0.844 CV 1 ASSI { 3688} (( segid " " and resid 397 and name HB1 )) (( segid " " and resid 397 and name HA )) 2.800 1.000 1.000 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.33036E-02 ppm1 2.899 ppm2 4.058 CV 1 ASSI { 3689} (( segid " " and resid 401 and name HE1 )) ( segid " " and resid 406 and name HG1%) 3.400 1.500 1.500 peak 3689 spectrum 1 weight 0.10000E+01 volume 0.98930E-03 ppm1 2.980 ppm2 0.809 CV 1 OR { 3689} (( segid " " and resid 401 and name HE2 )) ( segid " " and resid 406 and name HG1%) OR { 3689} (( segid " " and resid 401 and name HE2 )) ( segid " " and resid 406 and name HG2%) OR { 3689} (( segid " " and resid 401 and name HE1 )) ( segid " " and resid 406 and name HG2%) ASSI { 3690} (( segid " " and resid 403 and name HB2 )) ( segid " " and resid 400 and name HD1%) 2.900 1.100 1.100 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.13429E-02 ppm1 1.922 ppm2 0.714 CV 1 ASSI { 3691} (( segid " " and resid 403 and name HB1 )) ( segid " " and resid 400 and name HD1%) 3.700 1.700 1.700 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.98217E-03 ppm1 2.121 ppm2 0.713 CV 1 ASSI { 3695} (( segid " " and resid 405 and name HB2 )) ( segid " " and resid 400 and name HD2%) 2.900 2.900 3.100 peak 3695 spectrum 1 weight 0.10000E+01 volume 0.82501E-03 ppm1 2.999 ppm2 0.901 CV 1 ASSI { 3698} (( segid " " and resid 401 and name HE2 )) (( segid " " and resid 401 and name HD2 )) 2.700 0.900 0.900 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.28036E-02 ppm1 2.974 ppm2 1.734 CV 1 OR { 3698} (( segid " " and resid 401 and name HE1 )) (( segid " " and resid 401 and name HD2 )) OR { 3698} (( segid " " and resid 401 and name HE2 )) (( segid " " and resid 401 and name HD1 )) OR { 3698} (( segid " " and resid 401 and name HE1 )) (( segid " " and resid 401 and name HD1 )) ASSI { 3699} (( segid " " and resid 394 and name HA )) (( segid " " and resid 394 and name HG1 )) 2.700 0.900 0.900 peak 3699 spectrum 1 weight 0.10000E+01 volume 0.27643E-02 ppm1 2.768 ppm2 1.407 CV 1 ASSI { 3702} (( segid " " and resid 391 and name HE2 )) (( segid " " and resid 391 and name HD2 )) 2.900 1.100 1.100 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.17143E-02 ppm1 2.971 ppm2 1.675 CV 1 OR { 3702} (( segid " " and resid 391 and name HE1 )) (( segid " " and resid 391 and name HD1 )) OR { 3702} (( segid " " and resid 391 and name HE2 )) (( segid " " and resid 391 and name HD1 )) OR { 3702} (( segid " " and resid 391 and name HE1 )) (( segid " " and resid 391 and name HD2 )) ASSI { 3721} (( segid " " and resid 394 and name HB1 )) (( segid " " and resid 394 and name HA )) 2.800 1.000 1.000 peak 3721 spectrum 1 weight 0.10000E+01 volume 0.37000E-02 ppm1 1.357 ppm2 2.766 CV 1 ASSI { 3723} (( segid " " and resid 413 and name HB2 )) (( segid " " and resid 413 and name HE2 )) 3.000 1.100 1.100 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.30893E-02 ppm1 1.454 ppm2 2.802 CV 1 OR { 3723} (( segid " " and resid 413 and name HB2 )) (( segid " " and resid 413 and name HE1 )) OR { 3723} (( segid " " and resid 413 and name HB1 )) (( segid " " and resid 413 and name HE2 )) OR { 3723} (( segid " " and resid 413 and name HB1 )) (( segid " " and resid 413 and name HE1 )) ASSI { 3725} (( segid " " and resid 401 and name HG1 )) (( segid " " and resid 401 and name HE1 )) 2.800 1.000 1.000 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.26179E-02 ppm1 1.460 ppm2 2.980 CV 1 OR { 3725} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 401 and name HE1 )) OR { 3725} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 401 and name HE2 )) OR { 3725} (( segid " " and resid 401 and name HG1 )) (( segid " " and resid 401 and name HE2 )) ASSI { 3731} (( segid " " and resid 394 and name HG2 )) (( segid " " and resid 394 and name HA )) 3.400 1.500 1.500 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.11929E-02 ppm1 1.213 ppm2 2.770 CV 1 ASSI { 1237} (( segid " " and resid 406 and name HN )) (( segid " " and resid 417 and name HB2 )) 4.300 2.400 1.700 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.28267E-03 ppm1 9.687 ppm2 1.673 CV 1 OR { 1237} (( segid " " and resid 406 and name HN )) (( segid " " and resid 416 and name HB1 )) ASSI { 1274} (( segid " " and resid 405 and name HN )) (( segid " " and resid 403 and name HB2 )) 3.700 1.700 1.700 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.66824E-03 ppm1 6.833 ppm2 1.919 CV 1 OR { 1274} (( segid " " and resid 405 and name HN )) (( segid " " and resid 401 and name HB2 )) ASSI { 1282} (( segid " " and resid 405 and name HN )) (( segid " " and resid 416 and name HA )) 4.300 2.300 1.700 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.30725E-03 ppm1 6.833 ppm2 4.481 CV 1 OR { 1282} (( segid " " and resid 405 and name HN )) (( segid " " and resid 387 and name HA )) ASSI { 1296} (( segid " " and resid 405 and name HN )) (( segid " " and resid 403 and name HG2 )) 4.000 2.000 2.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.17667E-03 ppm1 6.834 ppm2 1.351 CV 1 OR { 1296} (( segid " " and resid 405 and name HN )) (( segid " " and resid 403 and name HG1 )) OR { 1296} (( segid " " and resid 405 and name HN )) ( segid " " and resid 390 and name HB% ) OR { 1296} (( segid " " and resid 405 and name HN )) (( segid " " and resid 418 and name HG2 )) ASSI { 1362} (( segid " " and resid 386 and name HN )) (( segid " " and resid 383 and name HA )) 3.000 1.100 1.100 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.13411E-02 ppm1 7.455 ppm2 3.921 CV 1 OR { 1362} (( segid " " and resid 386 and name HN )) (( segid " " and resid 385 and name HA )) ASSI { 1396} (( segid " " and resid 389 and name HN )) ( segid " " and resid 386 and name HG2%) 4.000 2.000 2.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.37023E-03 ppm1 7.548 ppm2 0.870 CV 1 OR { 1396} (( segid " " and resid 389 and name HN )) ( segid " " and resid 400 and name HD2%) ASSI { 1414} (( segid " " and resid 404 and name HN )) (( segid " " and resid 416 and name HB2 )) 4.400 2.400 1.600 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.17359E-03 ppm1 7.742 ppm2 1.584 CV 1 OR { 1414} (( segid " " and resid 404 and name HN )) (( segid " " and resid 383 and name HD2 )) OR { 1414} (( segid " " and resid 404 and name HN )) (( segid " " and resid 417 and name HD1 )) OR { 1414} (( segid " " and resid 404 and name HN )) (( segid " " and resid 417 and name HD2 )) ASSI { 1419} (( segid " " and resid 407 and name HN )) (( segid " " and resid 407 and name HA )) 2.700 0.900 0.900 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.27498E-02 ppm1 9.051 ppm2 4.560 CV 1 OR { 1419} (( segid " " and resid 415 and name HN )) (( segid " " and resid 415 and name HA )) ASSI { 1429} (( segid " " and resid 408 and name HN )) (( segid " " and resid 409 and name HA )) 4.500 2.500 1.500 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.18281E-03 ppm1 7.995 ppm2 3.950 CV 1 OR { 1429} (( segid " " and resid 408 and name HN )) (( segid " " and resid 412 and name HA )) ASSI { 1449} (( segid " " and resid 415 and name HN )) ( segid " " and resid 390 and name HB% ) 3.900 1.900 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.32568E-03 ppm1 9.050 ppm2 1.374 CV 1 OR { 1449} (( segid " " and resid 407 and name HN )) ( segid " " and resid 409 and name HG2%) OR { 1449} (( segid " " and resid 407 and name HN )) ( segid " " and resid 390 and name HB% ) OR { 1449} (( segid " " and resid 415 and name HN )) (( segid " " and resid 417 and name HG2 )) OR { 1449} (( segid " " and resid 407 and name HN )) (( segid " " and resid 417 and name HG2 )) OR { 1449} (( segid " " and resid 415 and name HN )) (( segid " " and resid 417 and name HG1 )) OR { 1449} (( segid " " and resid 407 and name HN )) (( segid " " and resid 417 and name HG1 )) ASSI { 1455} (( segid " " and resid 415 and name HN )) (( segid " " and resid 408 and name HB2 )) 3.900 1.900 1.900 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.23197E-03 ppm1 9.051 ppm2 2.191 CV 1 OR { 1455} (( segid " " and resid 407 and name HN )) (( segid " " and resid 408 and name HB2 )) ASSI { 1462} (( segid " " and resid 399 and name HN )) (( segid " " and resid 400 and name HN )) 2.400 0.700 0.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.42584E-02 ppm1 7.626 ppm2 7.466 CV 1 OR { 1462} (( segid " " and resid 399 and name HN )) (( segid " " and resid 399 and name HD21)) ASSI { 1466} (( segid " " and resid 401 and name HN )) (( segid " " and resid 405 and name HB2 )) 4.700 2.800 1.300 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.23812E-03 ppm1 7.557 ppm2 2.981 CV 1 OR { 1466} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HE1 )) OR { 1466} (( segid " " and resid 401 and name HN )) (( segid " " and resid 401 and name HE2 )) ASSI { 1482} (( segid " " and resid 403 and name HN )) ( segid " " and resid 386 and name HG2%) 4.400 2.400 1.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.21046E-03 ppm1 7.588 ppm2 0.860 CV 1 OR { 1482} (( segid " " and resid 403 and name HN )) ( segid " " and resid 416 and name HD1%) ASSI { 1501} (( segid " " and resid 398 and name HN )) ( segid " " and resid 396 and name HB% ) 3.800 1.800 1.800 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.71126E-03 ppm1 8.521 ppm2 1.354 CV 1 OR { 1501} (( segid " " and resid 398 and name HN )) ( segid " " and resid 390 and name HB% ) ASSI { 1508} (( segid " " and resid 398 and name HN )) (( segid " " and resid 400 and name HN )) 4.000 2.000 2.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.41786E-03 ppm1 8.522 ppm2 7.466 CV 1 OR { 1508} (( segid " " and resid 398 and name HN )) (( segid " " and resid 399 and name HD21)) ASSI { 1534} (( segid " " and resid 395 and name HN )) (( segid " " and resid 394 and name HB1 )) 2.600 0.800 0.800 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.29434E-02 ppm1 8.031 ppm2 1.347 CV 1 OR { 1534} (( segid " " and resid 395 and name HN )) ( segid " " and resid 396 and name HB% ) ASSI { 1573} (( segid " " and resid 395 and name HN )) (( segid " " and resid 397 and name HB1 )) 5.200 3.400 0.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.12444E-03 ppm1 8.031 ppm2 2.894 CV 1 OR { 1573} (( segid " " and resid 395 and name HN )) (( segid " " and resid 395 and name HE2 )) OR { 1573} (( segid " " and resid 395 and name HN )) (( segid " " and resid 395 and name HE1 )) ASSI { 1579} (( segid " " and resid 382 and name HN )) (( segid " " and resid 382 and name HA )) 2.800 1.000 1.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.21139E-02 ppm1 8.076 ppm2 4.518 CV 1 OR { 1579} (( segid " " and resid 393 and name HN )) (( segid " " and resid 393 and name HA )) ASSI { 1586} (( segid " " and resid 393 and name HN )) ( segid " " and resid 390 and name HB% ) 3.600 1.600 1.600 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 8.075 ppm2 1.358 CV 1 OR { 1586} (( segid " " and resid 393 and name HN )) ( segid " " and resid 396 and name HB% ) OR { 1586} (( segid " " and resid 382 and name HN )) ( segid " " and resid 380 and name HB% ) OR { 1586} (( segid " " and resid 382 and name HN )) (( segid " " and resid 383 and name HG2 )) OR { 1586} (( segid " " and resid 382 and name HN )) (( segid " " and resid 383 and name HG1 )) ASSI { 1612} (( segid " " and resid 381 and name HN )) (( segid " " and resid 381 and name HA )) 2.400 0.700 0.700 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.54722E-02 ppm1 8.385 ppm2 4.024 CV 1 OR { 1612} (( segid " " and resid 381 and name HN )) (( segid " " and resid 380 and name HA )) ASSI { 1616} (( segid " " and resid 393 and name HN )) (( segid " " and resid 394 and name HB2 )) 5.100 3.300 0.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.15209E-03 ppm1 8.080 ppm2 0.779 CV 1 OR { 1616} (( segid " " and resid 382 and name HN )) ( segid " " and resid 386 and name HD1%) OR { 1616} (( segid " " and resid 382 and name HN )) ( segid " " and resid 416 and name HD2%) ASSI { 1649} (( segid " " and resid 388 and name HN )) (( segid " " and resid 386 and name HB )) 3.700 1.700 1.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.45165E-03 ppm1 8.649 ppm2 2.006 CV 1 OR { 1649} (( segid " " and resid 388 and name HN )) (( segid " " and resid 384 and name HB2 )) OR { 1649} (( segid " " and resid 388 and name HN )) (( segid " " and resid 384 and name HB1 )) ASSI { 1668} (( segid " " and resid 385 and name HN )) (( segid " " and resid 388 and name HB2 )) 3.700 1.700 1.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.75427E-03 ppm1 7.597 ppm2 2.771 CV 1 OR { 1668} (( segid " " and resid 385 and name HN )) (( segid " " and resid 382 and name HB2 )) OR { 1668} (( segid " " and resid 385 and name HN )) (( segid " " and resid 388 and name HB1 )) ASSI { 1676} (( segid " " and resid 385 and name HN )) ( segid " " and resid 386 and name HD1%) 4.500 2.500 1.500 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.37331E-03 ppm1 7.596 ppm2 0.798 CV 1 OR { 1676} (( segid " " and resid 385 and name HN )) ( segid " " and resid 416 and name HD2%) ASSI { 1690} (( segid " " and resid 384 and name HN )) ( segid " " and resid 380 and name HB% ) 4.300 2.300 1.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.48699E-03 ppm1 8.310 ppm2 1.368 CV 1 OR { 1690} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HG1 )) OR { 1690} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HG2 )) ASSI { 1706} (( segid " " and resid 383 and name HN )) ( segid " " and resid 416 and name HD2%) 4.200 2.200 1.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.66824E-03 ppm1 8.196 ppm2 0.792 CV 1 OR { 1706} (( segid " " and resid 383 and name HN )) ( segid " " and resid 386 and name HD1%) ASSI { 1722} (( segid " " and resid 383 and name HN )) (( segid " " and resid 386 and name HN )) 4.800 2.800 1.200 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.12136E-03 ppm1 8.199 ppm2 7.439 CV 1 OR { 1722} (( segid " " and resid 383 and name HN )) (( segid " " and resid 387 and name HN )) ASSI { 1761} (( segid " " and resid 411 and name HN )) (( segid " " and resid 409 and name HA )) 3.900 1.900 1.900 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.95861E-03 ppm1 7.299 ppm2 3.952 CV 1 OR { 1761} (( segid " " and resid 411 and name HN )) (( segid " " and resid 412 and name HA )) ASSI { 1783} (( segid " " and resid 411 and name HN )) ( segid " " and resid 409 and name HG2%) 4.300 2.300 1.700 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.16899E-03 ppm1 7.298 ppm2 1.349 CV 1 OR { 1783} (( segid " " and resid 411 and name HN )) (( segid " " and resid 413 and name HD2 )) OR { 1783} (( segid " " and resid 411 and name HN )) (( segid " " and resid 413 and name HD1 )) ASSI { 1794} (( segid " " and resid 412 and name HN )) ( segid " " and resid 409 and name HG2%) 3.900 1.900 1.900 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.30264E-03 ppm1 7.900 ppm2 1.354 CV 1 OR { 1794} (( segid " " and resid 412 and name HN )) (( segid " " and resid 413 and name HD2 )) OR { 1794} (( segid " " and resid 412 and name HN )) (( segid " " and resid 413 and name HD1 )) ASSI { 1797} (( segid " " and resid 413 and name HN )) (( segid " " and resid 408 and name HA )) 3.800 1.800 1.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.41325E-03 ppm1 6.798 ppm2 4.573 CV 1 OR { 1797} (( segid " " and resid 413 and name HN )) (( segid " " and resid 407 and name HA )) ASSI { 1839} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HA )) 2.100 0.600 0.600 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.10686E-01 ppm1 8.541 ppm2 4.072 CV 1 OR { 1839} (( segid " " and resid 418 and name HN )) (( segid " " and resid 417 and name HA )) ASSI { 1853} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HG1 )) 3.000 1.100 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.19986E-02 ppm1 8.541 ppm2 1.373 CV 1 OR { 1853} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HG2 )) OR { 1853} (( segid " " and resid 418 and name HN )) (( segid " " and resid 417 and name HG1 )) ASSI { 1861} (( segid " " and resid 417 and name HN )) (( segid " " and resid 418 and name HE2 )) 4.600 2.600 1.400 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.14901E-03 ppm1 8.519 ppm2 2.901 CV 1 OR { 1861} (( segid " " and resid 417 and name HN )) (( segid " " and resid 418 and name HE1 )) OR { 1861} (( segid " " and resid 417 and name HN )) (( segid " " and resid 421 and name HE2 )) OR { 1861} (( segid " " and resid 417 and name HN )) (( segid " " and resid 421 and name HE1 )) ASSI { 1864} (( segid " " and resid 417 and name HN )) (( segid " " and resid 405 and name HB2 )) 3.900 1.900 1.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.13211E-03 ppm1 8.518 ppm2 2.997 CV 1 OR { 1864} (( segid " " and resid 417 and name HN )) (( segid " " and resid 401 and name HE2 )) ASSI { 1883} (( segid " " and resid 419 and name HN )) (( segid " " and resid 418 and name HD2 )) 3.100 1.200 1.200 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.13888E-02 ppm1 8.476 ppm2 1.605 CV 1 OR { 1883} (( segid " " and resid 419 and name HN )) (( segid " " and resid 418 and name HD1 )) OR { 1883} (( segid " " and resid 419 and name HN )) (( segid " " and resid 417 and name HD2 )) ASSI { 1885} (( segid " " and resid 420 and name HN )) (( segid " " and resid 417 and name HB1 )) 3.900 1.900 1.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.46087E-03 ppm1 7.686 ppm2 1.762 CV 1 OR { 1885} (( segid " " and resid 420 and name HN )) (( segid " " and resid 421 and name HB1 )) ASSI { 1889} (( segid " " and resid 420 and name HN )) (( segid " " and resid 417 and name HB2 )) 4.100 2.100 1.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.37638E-03 ppm1 7.686 ppm2 1.663 CV 1 OR { 1889} (( segid " " and resid 420 and name HN )) (( segid " " and resid 421 and name HB2 )) ASSI { 1912} (( segid " " and resid 424 and name HN )) (( segid " " and resid 423 and name HA )) 2.500 0.800 0.800 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.52247E-02 ppm1 8.106 ppm2 4.143 CV 1 OR { 1912} (( segid " " and resid 424 and name HN )) (( segid " " and resid 425 and name HA )) ASSI { 2089} (( segid " " and resid 431 and name HN )) (( segid " " and resid 430 and name HA )) 2.500 0.800 0.800 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.41571E-02 ppm1 8.053 ppm2 4.225 CV 1 OR { 2089} (( segid " " and resid 431 and name HN )) (( segid " " and resid 431 and name HA )) ASSI { 2090} (( segid " " and resid 430 and name HN )) (( segid " " and resid 430 and name HA )) 2.600 0.800 0.800 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.37131E-02 ppm1 8.311 ppm2 4.247 CV 1 OR { 2090} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HA )) ASSI { 2092} (( segid " " and resid 438 and name HN )) (( segid " " and resid 438 and name HA )) 2.800 1.000 1.000 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.23627E-02 ppm1 8.101 ppm2 4.188 CV 1 OR { 2092} (( segid " " and resid 438 and name HN )) (( segid " " and resid 437 and name HA )) ASSI { 2108} (( segid " " and resid 431 and name HN )) (( segid " " and resid 430 and name HB1 )) 3.800 1.800 1.800 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.44551E-03 ppm1 8.052 ppm2 1.987 CV 1 OR { 2108} (( segid " " and resid 431 and name HN )) (( segid " " and resid 432 and name HB1 )) ASSI { 2111} (( segid " " and resid 429 and name HN )) (( segid " " and resid 426 and name HA )) 3.300 3.300 2.700 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.35180E-03 ppm1 8.189 ppm2 4.129 CV 1 OR { 2111} (( segid " " and resid 429 and name HN )) (( segid " " and resid 425 and name HA )) ASSI { 2440} (( segid " " and resid 374 and name HN )) (( segid " " and resid 374 and name HB2 )) 3.300 1.300 1.300 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.93866E-03 ppm1 8.320 ppm2 1.681 CV 1 OR { 2440} (( segid " " and resid 374 and name HN )) (( segid " " and resid 374 and name HB1 )) OR { 2440} (( segid " " and resid 374 and name HN )) (( segid " " and resid 373 and name HB1 )) ASSI { 2598} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 413 and name HB2 )) 3.600 3.600 2.400 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.21200E-03 ppm1 7.283 ppm2 1.443 CV 1 OR { 2598} (( segid " " and resid 388 and name HD22)) (( segid " " and resid 413 and name HB1 )) OR { 2598} (( segid " " and resid 388 and name HD22)) ( segid " " and resid 389 and name HB% ) ASSI { 2602} (( segid " " and resid 399 and name HD21)) (( segid " " and resid 400 and name HG )) 4.200 2.200 1.800 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.22122E-03 ppm1 7.477 ppm2 1.703 CV 1 OR { 2602} (( segid " " and resid 399 and name HD21)) (( segid " " and resid 395 and name HB1 )) ASSI { 2606} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 385 and name HA )) 4.100 2.200 1.900 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.36255E-03 ppm1 7.713 ppm2 3.879 CV 1 OR { 2606} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 391 and name HA )) ASSI { 2612} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 413 and name HB2 )) 4.300 2.300 1.700 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.23044E-03 ppm1 7.714 ppm2 1.421 CV 1 OR { 2612} (( segid " " and resid 388 and name HD21)) (( segid " " and resid 413 and name HB1 )) OR { 2612} (( segid " " and resid 388 and name HD21)) ( segid " " and resid 389 and name HB% ) ASSI { 2624} (( segid " " and resid 399 and name HD22)) ( segid " " and resid 396 and name HB% ) 3.100 1.200 1.200 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.52692E-03 ppm1 6.791 ppm2 1.338 CV 1 OR { 2624} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 395 and name HG2 )) OR { 2624} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 395 and name HG1 )) ASSI { 2656} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 379 and name HN )) 4.500 2.500 1.500 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.26884E-03 ppm1 7.688 ppm2 8.342 CV 1 OR { 2656} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 384 and name HN )) ASSI { 2657} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 383 and name HB1 )) 4.800 2.900 1.200 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.25962E-03 ppm1 7.689 ppm2 1.854 CV 1 OR { 2657} (( segid " " and resid 382 and name HD21)) (( segid " " and resid 385 and name HB1 )) ASSI { 2665} (( segid " " and resid 382 and name HD21)) ( segid " " and resid 386 and name HD1%) 4.900 3.000 1.100 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.16745E-03 ppm1 7.689 ppm2 0.777 CV 1 OR { 2665} (( segid " " and resid 382 and name HD21)) ( segid " " and resid 416 and name HD2%) ASSI { 2682} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 384 and name HB1 )) 5.200 3.400 0.800 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.16130E-03 ppm1 6.958 ppm2 1.997 CV 1 OR { 2682} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 384 and name HB2 )) OR { 2682} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 386 and name HB )) ASSI { 2684} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 379 and name HN )) 5.400 3.700 0.600 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.14134E-03 ppm1 6.956 ppm2 8.327 CV 1 OR { 2684} (( segid " " and resid 382 and name HD22)) (( segid " " and resid 384 and name HN )) ASSI { 2709} (( segid " " and resid 393 and name HD22)) (( segid " " and resid 393 and name HA )) 4.200 2.300 1.800 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.37177E-03 ppm1 6.864 ppm2 4.568 CV 1 OR { 2709} (( segid " " and resid 408 and name HD22)) (( segid " " and resid 408 and name HA )) ASSI { 2922} (( segid " " and resid 427 and name HN )) (( segid " " and resid 427 and name HA )) 2.300 0.700 0.700 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.73126E-02 ppm1 8.262 ppm2 4.158 CV 1 OR { 2922} (( segid " " and resid 427 and name HN )) (( segid " " and resid 426 and name HA )) OR { 2922} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HA )) ASSI { 2924} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HB2 )) 2.400 0.700 0.700 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.55672E-02 ppm1 8.259 ppm2 1.922 CV 1 OR { 2924} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HB1 )) OR { 2924} (( segid " " and resid 427 and name HN )) (( segid " " and resid 427 and name HB1 )) OR { 2924} (( segid " " and resid 427 and name HN )) (( segid " " and resid 427 and name HB2 )) ASSI { 2925} (( segid " " and resid 425 and name HN )) (( segid " " and resid 424 and name HN )) 2.200 0.600 0.600 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.82466E-02 ppm1 8.257 ppm2 8.094 CV 1 OR { 2925} (( segid " " and resid 425 and name HN )) (( segid " " and resid 426 and name HN )) OR { 2925} (( segid " " and resid 437 and name HN )) (( segid " " and resid 438 and name HN )) ASSI { 2936} (( segid " " and resid 426 and name HN )) (( segid " " and resid 426 and name HA )) 2.400 0.700 0.700 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.52247E-02 ppm1 8.100 ppm2 4.140 CV 1 OR { 2936} (( segid " " and resid 426 and name HN )) (( segid " " and resid 425 and name HA )) ASSI { 2942} (( segid " " and resid 425 and name HN )) (( segid " " and resid 421 and name HB2 )) 2.600 2.600 3.400 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.17590E-02 ppm1 8.253 ppm2 1.667 CV 1 OR { 2942} (( segid " " and resid 437 and name HN )) (( segid " " and resid 434 and name HB2 )) ASSI { 2952} (( segid " " and resid 426 and name HN )) (( segid " " and resid 422 and name HG1 )) 4.000 2.000 2.000 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.21968E-03 ppm1 8.099 ppm2 2.247 CV 1 OR { 2952} (( segid " " and resid 426 and name HN )) (( segid " " and resid 427 and name HG1 )) OR { 2952} (( segid " " and resid 426 and name HN )) (( segid " " and resid 427 and name HG2 )) ASSI { 12} (( segid " " and resid 437 and name HN )) (( segid " " and resid 437 and name HA )) 2.300 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.84501E-02 ppm1 8.252 ppm2 4.160 CV 1 OR { 12} (( segid " " and resid 427 and name HN )) (( segid " " and resid 427 and name HA )) OR { 12} (( segid " " and resid 427 and name HN )) (( segid " " and resid 426 and name HA )) OR { 12} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HA )) ASSI { 49} (( segid " " and resid 375 and name HE22)) (( segid " " and resid 375 and name HE21)) 1.400 0.200 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.69339E-01 ppm1 6.792 ppm2 7.476 CV 1 OR { 49} (( segid " " and resid 376 and name HE22)) (( segid " " and resid 376 and name HE21)) OR { 49} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 399 and name HD21)) ASSI { 258} ( segid " " and resid 409 and name HG2%) (( segid " " and resid 409 and name HN )) 2.400 0.700 0.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.63394E-02 ppm1 1.352 ppm2 8.394 CV 1 OR { 258} ( segid " " and resid 380 and name HB% ) (( segid " " and resid 381 and name HN )) ASSI { 429} (( segid " " and resid 397 and name HN )) (( segid " " and resid 396 and name HN )) 2.200 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.92821E-02 ppm1 8.021 ppm2 7.776 CV 1 OR { 429} (( segid " " and resid 395 and name HN )) (( segid " " and resid 396 and name HN )) ASSI { 441} (( segid " " and resid 428 and name HB2 )) (( segid " " and resid 428 and name HA )) 2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.67037E-02 ppm1 3.827 ppm2 4.356 CV 1 OR { 441} (( segid " " and resid 428 and name HB1 )) (( segid " " and resid 428 and name HA )) OR { 441} (( segid " " and resid 379 and name HB1 )) (( segid " " and resid 379 and name HA )) ASSI { 479} (( segid " " and resid 386 and name HG11)) ( segid " " and resid 386 and name HD1%) 2.100 0.500 0.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.15822E-01 ppm1 1.609 ppm2 0.777 CV 1 OR { 479} (( segid " " and resid 424 and name HB1 )) ( segid " " and resid 424 and name HD2%) OR { 479} (( segid " " and resid 424 and name HB2 )) ( segid " " and resid 424 and name HD1%) OR { 479} (( segid " " and resid 416 and name HB2 )) ( segid " " and resid 416 and name HD2%) OR { 479} (( segid " " and resid 424 and name HB2 )) ( segid " " and resid 424 and name HD2%) ASSI { 481} (( segid " " and resid 424 and name HB1 )) ( segid " " and resid 424 and name HD2%) 2.100 0.600 0.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.15822E-01 ppm1 1.630 ppm2 0.785 CV 1 OR { 481} (( segid " " and resid 424 and name HB2 )) ( segid " " and resid 424 and name HD1%) OR { 481} (( segid " " and resid 416 and name HB2 )) ( segid " " and resid 416 and name HD2%) OR { 481} (( segid " " and resid 424 and name HB2 )) ( segid " " and resid 424 and name HD2%) OR { 481} (( segid " " and resid 424 and name HB1 )) ( segid " " and resid 424 and name HD1%) ASSI { 558} (( segid " " and resid 388 and name HA )) (( segid " " and resid 388 and name HN )) 2.400 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.64320E-02 ppm1 4.462 ppm2 8.648 CV 1 OR { 558} (( segid " " and resid 387 and name HA )) (( segid " " and resid 388 and name HN )) ASSI { 562} (( segid " " and resid 384 and name HG2 )) ( segid " " and resid 380 and name HB% ) 3.500 1.600 1.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 2.241 ppm2 1.351 CV 1 OR { 562} (( segid " " and resid 402 and name HG2 )) (( segid " " and resid 403 and name HG2 )) OR { 562} (( segid " " and resid 402 and name HG1 )) (( segid " " and resid 403 and name HG2 )) OR { 562} (( segid " " and resid 408 and name HB2 )) ( segid " " and resid 409 and name HG2%) OR { 562} (( segid " " and resid 384 and name HG1 )) ( segid " " and resid 380 and name HB% ) OR { 562} (( segid " " and resid 402 and name HG1 )) (( segid " " and resid 403 and name HG1 )) OR { 562} (( segid " " and resid 402 and name HG2 )) (( segid " " and resid 403 and name HG1 )) OR { 562} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 413 and name HD2 )) OR { 562} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 385 and name HG2 )) OR { 562} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 413 and name HD1 )) OR { 562} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 385 and name HG1 )) OR { 562} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 385 and name HG2 )) ASSI { 564} (( segid " " and resid 379 and name HB2 )) (( segid " " and resid 379 and name HN )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.33679E-02 ppm1 4.013 ppm2 8.318 CV 1 OR { 564} (( segid " " and resid 421 and name HA )) (( segid " " and resid 422 and name HN )) OR { 564} (( segid " " and resid 380 and name HA )) (( segid " " and resid 384 and name HN )) ASSI { 565} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HN )) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.38465E-02 ppm1 4.140 ppm2 8.352 CV 1 OR { 565} (( segid " " and resid 377 and name HB )) (( segid " " and resid 378 and name HN )) ASSI { 598} (( segid " " and resid 393 and name HA )) (( segid " " and resid 394 and name HB2 )) 3.600 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.16964E-02 ppm1 4.561 ppm2 0.808 CV 1 OR { 598} (( segid " " and resid 407 and name HA )) ( segid " " and resid 406 and name HG2%) OR { 598} (( segid " " and resid 407 and name HA )) ( segid " " and resid 406 and name HG1%) OR { 598} (( segid " " and resid 415 and name HA )) ( segid " " and resid 416 and name HD2%) ASSI { 654} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 407 and name HN )) 3.300 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.29215E-02 ppm1 6.770 ppm2 9.050 CV 1 OR { 654} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 415 and name HN )) ASSI { 656} (( segid " " and resid 406 and name HN )) (( segid " " and resid 415 and name HN )) 2.900 1.100 1.100 peak 656 spectrum 1 weight 0.10000E+01 volume 0.28286E-02 ppm1 9.686 ppm2 9.051 CV 1 OR { 656} (( segid " " and resid 406 and name HN )) (( segid " " and resid 407 and name HN )) ASSI { 672} (( segid " " and resid 403 and name HN )) (( segid " " and resid 402 and name HN )) 2.800 1.000 1.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.21393E-02 ppm1 7.575 ppm2 9.098 CV 1 OR { 672} (( segid " " and resid 401 and name HN )) (( segid " " and resid 402 and name HN )) ASSI { 687} (( segid " " and resid 408 and name HN )) (( segid " " and resid 415 and name HN )) 3.400 1.400 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.16679E-02 ppm1 8.001 ppm2 9.053 CV 1 OR { 687} (( segid " " and resid 408 and name HN )) (( segid " " and resid 407 and name HN )) ASSI { 711} (( segid " " and resid 430 and name HN )) (( segid " " and resid 431 and name HN )) 3.200 1.300 1.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 8.318 ppm2 8.063 CV 1 OR { 711} (( segid " " and resid 410 and name HN )) (( segid " " and resid 408 and name HD21)) OR { 711} (( segid " " and resid 435 and name HN )) (( segid " " and resid 434 and name HN )) ASSI { 713} (( segid " " and resid 439 and name HN )) (( segid " " and resid 438 and name HN )) 3.200 1.300 1.300 peak 713 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 8.318 ppm2 8.085 CV 1 OR { 713} (( segid " " and resid 410 and name HN )) (( segid " " and resid 408 and name HD21)) OR { 713} (( segid " " and resid 439 and name HN )) (( segid " " and resid 440 and name HN )) OR { 713} (( segid " " and resid 435 and name HN )) (( segid " " and resid 434 and name HN )) OR { 713} (( segid " " and resid 422 and name HN )) (( segid " " and resid 424 and name HN )) ASSI { 716} ( segid " " and resid 400 and name HD2%) (( segid " " and resid 390 and name HA )) 3.000 1.100 1.100 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13321E-02 ppm1 0.871 ppm2 4.182 CV 1 OR { 716} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 404 and name HA1 )) OR { 716} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 424 and name HA )) OR { 716} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 424 and name HA )) ASSI { 810} (( segid " " and resid 407 and name HB1 )) (( segid " " and resid 397 and name HB2 )) 3.600 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.17357E-02 ppm1 2.636 ppm2 3.056 CV 1 OR { 810} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 397 and name HB2 )) OR { 810} (( segid " " and resid 407 and name HB1 )) (( segid " " and resid 408 and name HB1 )) ASSI { 818} (( segid " " and resid 386 and name HG12)) (( segid " " and resid 385 and name HG2 )) 2.700 2.700 3.300 peak 818 spectrum 1 weight 0.10000E+01 volume 0.57073E-02 ppm1 1.214 ppm2 1.402 CV 1 OR { 818} (( segid " " and resid 386 and name HG12)) (( segid " " and resid 383 and name HG1 )) ASSI { 829} (( segid " " and resid 418 and name HA )) (( segid " " and resid 418 and name HN )) 2.100 0.500 0.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.14561E-01 ppm1 4.071 ppm2 8.540 CV 1 OR { 829} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HN )) OR { 829} (( segid " " and resid 417 and name HA )) (( segid " " and resid 418 and name HN )) ASSI { 830} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HN )) 2.200 0.600 0.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.12411E-01 ppm1 4.158 ppm2 8.253 CV 1 OR { 830} (( segid " " and resid 426 and name HA )) (( segid " " and resid 427 and name HN )) OR { 830} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HN )) OR { 830} (( segid " " and resid 436 and name HA )) (( segid " " and resid 437 and name HN )) ASSI { 835} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HN )) 2.200 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.10893E-01 ppm1 4.136 ppm2 8.092 CV 1 OR { 835} (( segid " " and resid 423 and name HA )) (( segid " " and resid 424 and name HN )) OR { 835} (( segid " " and resid 425 and name HA )) (( segid " " and resid 426 and name HN )) ASSI { 845} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HN )) 2.300 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.85609E-02 ppm1 4.233 ppm2 8.052 CV 1 OR { 845} (( segid " " and resid 430 and name HA )) (( segid " " and resid 431 and name HN )) OR { 845} (( segid " " and resid 431 and name HA )) (( segid " " and resid 431 and name HN )) ASSI { 847} ( segid " " and resid 409 and name HG2%) ( segid " " and resid 407 and name HD% ) 2.700 0.900 0.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.82110E-02 ppm1 1.355 ppm2 6.772 CV 1 OR { 847} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 399 and name HD22)) OR { 847} ( segid " " and resid 390 and name HB% ) ( segid " " and resid 407 and name HD% ) OR { 847} (( segid " " and resid 394 and name HB1 )) ( segid " " and resid 407 and name HD% ) OR { 847} (( segid " " and resid 413 and name HD2 )) (( segid " " and resid 413 and name HN )) ASSI { 848} (( segid " " and resid 407 and name HA )) (( segid " " and resid 408 and name HN )) 2.300 0.600 0.600 peak 848 spectrum 1 weight 0.10000E+01 volume 0.81570E-02 ppm1 4.561 ppm2 8.000 CV 1 OR { 848} (( segid " " and resid 408 and name HA )) (( segid " " and resid 408 and name HN )) ASSI { 850} (( segid " " and resid 425 and name HB2 )) (( segid " " and resid 425 and name HN )) 2.300 0.700 0.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.81179E-02 ppm1 1.922 ppm2 8.255 CV 1 OR { 850} (( segid " " and resid 432 and name HB2 )) (( segid " " and resid 432 and name HN )) OR { 850} (( segid " " and resid 425 and name HB1 )) (( segid " " and resid 425 and name HN )) OR { 850} (( segid " " and resid 427 and name HB1 )) (( segid " " and resid 427 and name HN )) OR { 850} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HN )) ASSI { 852} (( segid " " and resid 377 and name HA )) (( segid " " and resid 378 and name HN )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.80110E-02 ppm1 4.207 ppm2 8.371 CV 1 OR { 852} (( segid " " and resid 375 and name HA )) (( segid " " and resid 375 and name HN )) OR { 852} (( segid " " and resid 374 and name HA )) (( segid " " and resid 375 and name HN )) ASSI { 860} (( segid " " and resid 430 and name HA )) (( segid " " and resid 430 and name HN )) 2.400 0.700 0.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.72284E-02 ppm1 4.252 ppm2 8.308 CV 1 OR { 860} (( segid " " and resid 373 and name HA )) (( segid " " and resid 374 and name HN )) OR { 860} (( segid " " and resid 429 and name HA )) (( segid " " and resid 430 and name HN )) ASSI { 882} (( segid " " and resid 397 and name HB2 )) (( segid " " and resid 397 and name HN )) 2.300 0.700 0.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.57895E-02 ppm1 3.058 ppm2 8.009 CV 1 OR { 882} (( segid " " and resid 408 and name HB1 )) (( segid " " and resid 408 and name HN )) ASSI { 884} (( segid " " and resid 427 and name HA )) (( segid " " and resid 428 and name HN )) 2.600 0.900 0.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.56999E-02 ppm1 4.170 ppm2 8.183 CV 1 OR { 884} (( segid " " and resid 426 and name HA )) (( segid " " and resid 428 and name HN )) ASSI { 886} (( segid " " and resid 407 and name HA )) (( segid " " and resid 407 and name HN )) 2.500 0.800 0.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.54821E-02 ppm1 4.565 ppm2 9.053 CV 1 OR { 886} (( segid " " and resid 415 and name HA )) (( segid " " and resid 415 and name HN )) OR { 886} (( segid " " and resid 407 and name HA )) (( segid " " and resid 415 and name HN )) ASSI { 890} (( segid " " and resid 381 and name HB2 )) (( segid " " and resid 381 and name HN )) 2.500 0.800 0.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.53143E-02 ppm1 1.894 ppm2 8.381 CV 1 OR { 890} (( segid " " and resid 381 and name HB1 )) (( segid " " and resid 381 and name HN )) OR { 890} (( segid " " and resid 378 and name HB2 )) (( segid " " and resid 378 and name HN )) ASSI { 891} (( segid " " and resid 435 and name HA )) (( segid " " and resid 435 and name HN )) 2.500 0.800 0.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.53034E-02 ppm1 4.511 ppm2 8.331 CV 1 OR { 891} (( segid " " and resid 435 and name HA )) (( segid " " and resid 436 and name HN )) ASSI { 892} (( segid " " and resid 434 and name HA )) (( segid " " and resid 435 and name HN )) 2.400 0.700 0.700 peak 892 spectrum 1 weight 0.10000E+01 volume 0.65320E-02 ppm1 4.230 ppm2 8.340 CV 1 OR { 892} (( segid " " and resid 375 and name HA )) (( segid " " and resid 375 and name HN )) OR { 892} (( segid " " and resid 373 and name HA )) (( segid " " and resid 374 and name HN )) ASSI { 897} (( segid " " and resid 412 and name HA )) ( segid " " and resid 407 and name HE% ) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.48857E-02 ppm1 3.938 ppm2 7.078 CV 1 OR { 897} (( segid " " and resid 409 and name HA )) ( segid " " and resid 407 and name HE% ) ASSI { 919} (( segid " " and resid 394 and name HB1 )) (( segid " " and resid 394 and name HN )) 2.500 0.800 0.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.42286E-02 ppm1 1.356 ppm2 8.160 CV 1 OR { 919} (( segid " " and resid 429 and name HG1 )) (( segid " " and resid 429 and name HN )) OR { 919} (( segid " " and resid 429 and name HG2 )) (( segid " " and resid 429 and name HN )) ASSI { 921} (( segid " " and resid 415 and name HB1 )) (( segid " " and resid 415 and name HN )) 2.700 0.900 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.42036E-02 ppm1 1.941 ppm2 9.047 CV 1 OR { 921} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 415 and name HN )) OR { 921} (( segid " " and resid 406 and name HB )) (( segid " " and resid 407 and name HN )) ASSI { 924} (( segid " " and resid 434 and name HB1 )) (( segid " " and resid 434 and name HN )) 2.700 0.900 0.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.40679E-02 ppm1 1.759 ppm2 8.091 CV 1 OR { 924} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HN )) OR { 924} (( segid " " and resid 426 and name HB1 )) (( segid " " and resid 426 and name HN )) OR { 924} (( segid " " and resid 423 and name HB2 )) (( segid " " and resid 424 and name HN )) OR { 924} (( segid " " and resid 423 and name HB1 )) (( segid " " and resid 424 and name HN )) ASSI { 926} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 384 and name HN )) 3.100 1.200 1.200 peak 926 spectrum 1 weight 0.10000E+01 volume 0.40286E-02 ppm1 2.234 ppm2 8.311 CV 1 OR { 926} (( segid " " and resid 430 and name HG1 )) (( segid " " and resid 430 and name HN )) OR { 926} (( segid " " and resid 430 and name HG2 )) (( segid " " and resid 430 and name HN )) OR { 926} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 384 and name HN )) OR { 926} (( segid " " and resid 422 and name HG1 )) (( segid " " and resid 422 and name HN )) ASSI { 928} (( segid " " and resid 400 and name HA )) (( segid " " and resid 401 and name HN )) 2.600 0.900 0.900 peak 928 spectrum 1 weight 0.10000E+01 volume 0.40143E-02 ppm1 4.458 ppm2 7.555 CV 1 OR { 928} (( segid " " and resid 388 and name HA )) (( segid " " and resid 389 and name HN )) ASSI { 930} ( segid " " and resid 409 and name HG2%) ( segid " " and resid 407 and name HE% ) 2.800 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.39286E-02 ppm1 1.354 ppm2 7.079 CV 1 OR { 930} (( segid " " and resid 394 and name HB1 )) ( segid " " and resid 407 and name HE% ) ASSI { 934} (( segid " " and resid 381 and name HA )) (( segid " " and resid 382 and name HN )) 2.800 1.000 1.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.38465E-02 ppm1 4.027 ppm2 8.079 CV 1 OR { 934} (( segid " " and resid 380 and name HA )) (( segid " " and resid 382 and name HN )) ASSI { 943} (( segid " " and resid 437 and name HG1 )) (( segid " " and resid 438 and name HN )) 3.000 1.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.36965E-02 ppm1 1.355 ppm2 8.079 CV 1 OR { 943} (( segid " " and resid 437 and name HG2 )) (( segid " " and resid 438 and name HN )) OR { 943} ( segid " " and resid 390 and name HB% ) (( segid " " and resid 393 and name HN )) OR { 943} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 393 and name HN )) OR { 943} ( segid " " and resid 380 and name HB% ) (( segid " " and resid 382 and name HN )) OR { 943} (( segid " " and resid 383 and name HG2 )) (( segid " " and resid 382 and name HN )) OR { 943} (( segid " " and resid 383 and name HG1 )) (( segid " " and resid 382 and name HN )) ASSI { 955} (( segid " " and resid 381 and name HB1 )) (( segid " " and resid 382 and name HN )) 2.600 0.900 0.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.33357E-02 ppm1 1.925 ppm2 8.086 CV 1 OR { 955} (( segid " " and resid 425 and name HB1 )) (( segid " " and resid 426 and name HN )) OR { 955} (( segid " " and resid 381 and name HB2 )) (( segid " " and resid 382 and name HN )) OR { 955} (( segid " " and resid 425 and name HB2 )) (( segid " " and resid 426 and name HN )) ASSI { 958} (( segid " " and resid 383 and name HB2 )) (( segid " " and resid 383 and name HN )) 2.400 0.700 0.700 peak 958 spectrum 1 weight 0.10000E+01 volume 0.32822E-02 ppm1 1.778 ppm2 8.186 CV 1 OR { 958} (( segid " " and resid 421 and name HB1 )) (( segid " " and resid 421 and name HN )) OR { 958} (( segid " " and resid 429 and name HB1 )) (( segid " " and resid 429 and name HN )) ASSI { 963} (( segid " " and resid 383 and name HB2 )) (( segid " " and resid 383 and name HN )) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.32822E-02 ppm1 1.791 ppm2 8.167 CV 1 OR { 963} (( segid " " and resid 421 and name HB1 )) (( segid " " and resid 421 and name HN )) ASSI { 967} (( segid " " and resid 377 and name HA )) (( segid " " and resid 377 and name HN )) 2.600 0.800 0.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.50712E-02 ppm1 4.203 ppm2 8.166 CV 1 OR { 967} (( segid " " and resid 427 and name HA )) (( segid " " and resid 428 and name HN )) ASSI { 974} (( segid " " and resid 380 and name HA )) (( segid " " and resid 380 and name HN )) 2.800 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.30643E-02 ppm1 4.027 ppm2 8.602 CV 1 OR { 974} (( segid " " and resid 379 and name HB2 )) (( segid " " and resid 380 and name HN )) ASSI { 997} (( segid " " and resid 399 and name HB1 )) (( segid " " and resid 399 and name HD21)) 2.800 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.27036E-02 ppm1 2.790 ppm2 7.475 CV 1 OR { 997} (( segid " " and resid 399 and name HB1 )) (( segid " " and resid 400 and name HN )) ASSI { 998} ( segid " " and resid 390 and name HB% ) (( segid " " and resid 414 and name HN )) 3.000 1.100 1.100 peak 998 spectrum 1 weight 0.10000E+01 volume 0.27000E-02 ppm1 1.348 ppm2 8.283 CV 1 OR { 998} (( segid " " and resid 429 and name HG2 )) (( segid " " and resid 430 and name HN )) OR { 998} (( segid " " and resid 429 and name HG1 )) (( segid " " and resid 430 and name HN )) OR { 998} ( segid " " and resid 380 and name HB% ) (( segid " " and resid 384 and name HN )) OR { 998} (( segid " " and resid 418 and name HG1 )) (( segid " " and resid 422 and name HN )) ASSI { 1001} (( segid " " and resid 418 and name HG1 )) (( segid " " and resid 418 and name HN )) 3.100 1.200 1.200 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.26750E-02 ppm1 1.357 ppm2 8.526 CV 1 OR { 1001} (( segid " " and resid 418 and name HG2 )) (( segid " " and resid 418 and name HN )) OR { 1001} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 398 and name HN )) ASSI { 1016} ( segid " " and resid 406 and name HG1%) (( segid " " and resid 417 and name HN )) 3.100 1.200 1.200 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.24286E-02 ppm1 0.808 ppm2 8.527 CV 1 OR { 1016} ( segid " " and resid 406 and name HG2%) (( segid " " and resid 417 and name HN )) OR { 1016} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 417 and name HN )) OR { 1016} ( segid " " and resid 406 and name HG1%) (( segid " " and resid 418 and name HN )) OR { 1016} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 418 and name HN )) ASSI { 1024} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 429 and name HN )) 3.000 1.100 1.100 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.26643E-02 ppm1 1.721 ppm2 8.179 CV 1 OR { 1024} (( segid " " and resid 395 and name HB1 )) (( segid " " and resid 394 and name HN )) OR { 1024} (( segid " " and resid 395 and name HB2 )) (( segid " " and resid 394 and name HN )) ASSI { 1029} (( segid " " and resid 383 and name HB1 )) (( segid " " and resid 383 and name HN )) 3.400 1.400 1.400 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 1.891 ppm2 8.187 CV 1 OR { 1029} (( segid " " and resid 422 and name HB2 )) (( segid " " and resid 421 and name HN )) OR { 1029} (( segid " " and resid 422 and name HB1 )) (( segid " " and resid 421 and name HN )) ASSI { 1032} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 393 and name HD21)) 3.100 1.200 1.200 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.22500E-02 ppm1 1.359 ppm2 7.666 CV 1 OR { 1032} (( segid " " and resid 417 and name HG1 )) (( segid " " and resid 420 and name HN )) OR { 1032} (( segid " " and resid 417 and name HG2 )) (( segid " " and resid 420 and name HN )) OR { 1032} (( segid " " and resid 383 and name HG2 )) (( segid " " and resid 382 and name HD21)) OR { 1032} (( segid " " and resid 383 and name HG1 )) (( segid " " and resid 382 and name HD21)) ASSI { 1040} (( segid " " and resid 398 and name HA )) (( segid " " and resid 399 and name HN )) 2.900 1.100 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.21571E-02 ppm1 3.954 ppm2 7.624 CV 1 OR { 1040} (( segid " " and resid 396 and name HA )) (( segid " " and resid 399 and name HN )) ASSI { 1041} (( segid " " and resid 374 and name HG1 )) (( segid " " and resid 374 and name HN )) 3.100 1.200 1.200 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 1.352 ppm2 8.317 CV 1 OR { 1041} (( segid " " and resid 374 and name HG2 )) (( segid " " and resid 374 and name HN )) OR { 1041} (( segid " " and resid 373 and name HG1 )) (( segid " " and resid 374 and name HN )) OR { 1041} (( segid " " and resid 373 and name HG2 )) (( segid " " and resid 374 and name HN )) OR { 1041} ( segid " " and resid 409 and name HG2%) (( segid " " and resid 410 and name HN )) OR { 1041} (( segid " " and resid 429 and name HG2 )) (( segid " " and resid 430 and name HN )) OR { 1041} ( segid " " and resid 380 and name HB% ) (( segid " " and resid 379 and name HN )) ASSI { 1042} (( segid " " and resid 391 and name HG2 )) (( segid " " and resid 391 and name HN )) 3.100 1.200 1.200 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.21500E-02 ppm1 1.429 ppm2 7.942 CV 1 OR { 1042} ( segid " " and resid 389 and name HB% ) (( segid " " and resid 391 and name HN )) ASSI { 1047} (( segid " " and resid 437 and name HB1 )) (( segid " " and resid 437 and name HN )) 3.000 1.200 1.200 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.21036E-02 ppm1 1.754 ppm2 8.254 CV 1 OR { 1047} (( segid " " and resid 426 and name HB1 )) (( segid " " and resid 427 and name HN )) OR { 1047} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 427 and name HN )) ASSI { 1061} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HN )) 3.300 1.400 1.400 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.19643E-02 ppm1 1.369 ppm2 7.602 CV 1 OR { 1061} (( segid " " and resid 403 and name HG1 )) (( segid " " and resid 403 and name HN )) OR { 1061} (( segid " " and resid 385 and name HG1 )) (( segid " " and resid 385 and name HN )) OR { 1061} (( segid " " and resid 385 and name HG2 )) (( segid " " and resid 385 and name HN )) ASSI { 1070} (( segid " " and resid 378 and name HG2 )) (( segid " " and resid 378 and name HN )) 3.500 1.500 1.500 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.18572E-02 ppm1 2.187 ppm2 8.384 CV 1 OR { 1070} (( segid " " and resid 378 and name HG1 )) (( segid " " and resid 378 and name HN )) OR { 1070} (( segid " " and resid 381 and name HG1 )) (( segid " " and resid 381 and name HN )) OR { 1070} (( segid " " and resid 381 and name HG2 )) (( segid " " and resid 381 and name HN )) ASSI { 1076} (( segid " " and resid 391 and name HB1 )) (( segid " " and resid 393 and name HN )) 3.400 1.500 1.500 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.18286E-02 ppm1 2.012 ppm2 8.078 CV 1 OR { 1076} (( segid " " and resid 430 and name HB1 )) (( segid " " and resid 431 and name HN )) OR { 1076} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 408 and name HD21)) OR { 1076} (( segid " " and resid 410 and name HB1 )) (( segid " " and resid 408 and name HD21)) ASSI { 1093} (( segid " " and resid 376 and name HA )) (( segid " " and resid 377 and name HN )) 2.700 0.900 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.32893E-02 ppm1 4.297 ppm2 8.141 CV 1 OR { 1093} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HN )) ASSI { 1094} (( segid " " and resid 384 and name HB1 )) (( segid " " and resid 416 and name HN )) 3.500 1.600 1.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.16286E-02 ppm1 2.008 ppm2 8.652 CV 1 OR { 1094} (( segid " " and resid 386 and name HB )) (( segid " " and resid 388 and name HN )) OR { 1094} (( segid " " and resid 384 and name HB2 )) (( segid " " and resid 416 and name HN )) OR { 1094} (( segid " " and resid 384 and name HB1 )) (( segid " " and resid 388 and name HN )) ASSI { 1098} (( segid " " and resid 413 and name HB2 )) (( segid " " and resid 413 and name HN )) 3.100 1.200 1.200 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.16036E-02 ppm1 1.435 ppm2 6.793 CV 1 OR { 1098} (( segid " " and resid 394 and name HG1 )) ( segid " " and resid 407 and name HD% ) OR { 1098} (( segid " " and resid 413 and name HB1 )) (( segid " " and resid 413 and name HN )) ASSI { 1100} (( segid " " and resid 374 and name HB2 )) (( segid " " and resid 374 and name HN )) 3.200 1.300 1.300 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 1.654 ppm2 8.297 CV 1 OR { 1100} (( segid " " and resid 374 and name HB1 )) (( segid " " and resid 374 and name HN )) OR { 1100} (( segid " " and resid 373 and name HB1 )) (( segid " " and resid 374 and name HN )) OR { 1100} (( segid " " and resid 421 and name HB2 )) (( segid " " and resid 422 and name HN )) ASSI { 1117} (( segid " " and resid 414 and name HB1 )) ( segid " " and resid 407 and name HE% ) 3.600 1.600 1.600 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 2.695 ppm2 7.076 CV 1 OR { 1117} (( segid " " and resid 392 and name HB1 )) ( segid " " and resid 407 and name HE% ) ASSI { 1119} (( segid " " and resid 416 and name HB2 )) (( segid " " and resid 384 and name HN )) 3.300 1.300 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.14393E-02 ppm1 1.600 ppm2 8.313 CV 1 OR { 1119} (( segid " " and resid 374 and name HD2 )) (( segid " " and resid 374 and name HN )) OR { 1119} (( segid " " and resid 374 and name HD1 )) (( segid " " and resid 374 and name HN )) OR { 1119} (( segid " " and resid 383 and name HD1 )) (( segid " " and resid 384 and name HN )) OR { 1119} (( segid " " and resid 383 and name HD2 )) (( segid " " and resid 384 and name HN )) OR { 1119} (( segid " " and resid 386 and name HG11)) (( segid " " and resid 384 and name HN )) ASSI { 1121} (( segid " " and resid 384 and name HB1 )) (( segid " " and resid 383 and name HN )) 3.200 1.300 1.300 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 2.000 ppm2 8.186 CV 1 OR { 1121} (( segid " " and resid 384 and name HB2 )) (( segid " " and resid 383 and name HN )) OR { 1121} (( segid " " and resid 375 and name HB2 )) (( segid " " and resid 377 and name HN )) ASSI { 1135} ( segid " " and resid 390 and name HB% ) (( segid " " and resid 389 and name HN )) 3.500 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 1.358 ppm2 7.553 CV 1 OR { 1135} (( segid " " and resid 385 and name HG2 )) (( segid " " and resid 389 and name HN )) OR { 1135} (( segid " " and resid 385 and name HG1 )) (( segid " " and resid 389 and name HN )) ASSI { 1146} (( segid " " and resid 407 and name HB1 )) (( segid " " and resid 408 and name HN )) 3.300 1.400 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 2.633 ppm2 8.009 CV 1 OR { 1146} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 395 and name HN )) OR { 1146} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 397 and name HN )) ASSI { 1153} (( segid " " and resid 393 and name HA )) ( segid " " and resid 407 and name HE% ) 3.500 1.500 1.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.12500E-02 ppm1 4.549 ppm2 7.076 CV 1 OR { 1153} (( segid " " and resid 407 and name HA )) ( segid " " and resid 407 and name HE% ) ASSI { 1160} (( segid " " and resid 419 and name HA )) (( segid " " and resid 419 and name HB1 )) 2.300 0.600 0.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.86288E-02 ppm1 4.448 ppm2 2.501 CV 1 OR { 1160} (( segid " " and resid 387 and name HA )) (( segid " " and resid 387 and name HB1 )) ASSI { 1168} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 395 and name HN )) 3.400 1.400 1.400 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 2.663 ppm2 8.020 CV 1 OR { 1168} (( segid " " and resid 393 and name HB1 )) (( segid " " and resid 397 and name HN )) OR { 1168} (( segid " " and resid 414 and name HB1 )) (( segid " " and resid 397 and name HN )) OR { 1168} (( segid " " and resid 414 and name HB1 )) (( segid " " and resid 408 and name HN )) ASSI { 1169} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 399 and name HD21)) 3.900 1.900 1.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 1.359 ppm2 7.476 CV 1 OR { 1169} (( segid " " and resid 385 and name HG2 )) (( segid " " and resid 386 and name HN )) OR { 1169} (( segid " " and resid 385 and name HG1 )) (( segid " " and resid 386 and name HN )) ASSI { 1182} (( segid " " and resid 414 and name HB1 )) (( segid " " and resid 397 and name HN )) 3.900 1.900 1.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 2.680 ppm2 8.014 CV 1 OR { 1182} (( segid " " and resid 414 and name HB1 )) (( segid " " and resid 408 and name HN )) ASSI { 1195} (( segid " " and resid 417 and name HB1 )) (( segid " " and resid 419 and name HN )) 3.500 1.500 1.500 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.97856E-03 ppm1 1.792 ppm2 8.481 CV 1 OR { 1195} (( segid " " and resid 421 and name HB1 )) (( segid " " and resid 419 and name HN )) ASSI { 1200} (( segid " " and resid 422 and name HG2 )) (( segid " " and resid 422 and name HN )) 3.700 1.700 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.15536E-02 ppm1 2.168 ppm2 8.297 CV 1 OR { 1200} (( segid " " and resid 381 and name HG2 )) (( segid " " and resid 384 and name HN )) ASSI { 1210} (( segid " " and resid 385 and name HA )) (( segid " " and resid 384 and name HN )) 3.400 1.500 1.500 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.17821E-02 ppm1 3.874 ppm2 8.328 CV 1 OR { 1210} (( segid " " and resid 433 and name HA2 )) (( segid " " and resid 435 and name HN )) OR { 1210} (( segid " " and resid 433 and name HA1 )) (( segid " " and resid 435 and name HN )) ASSI { 1277} ( segid " " and resid 390 and name HB% ) (( segid " " and resid 415 and name HN )) 3.800 1.800 1.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 1.354 ppm2 9.051 CV 1 OR { 1277} ( segid " " and resid 390 and name HB% ) (( segid " " and resid 407 and name HN )) OR { 1277} (( segid " " and resid 394 and name HB1 )) (( segid " " and resid 407 and name HN )) OR { 1277} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 407 and name HN )) ASSI { 2197} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 383 and name HE2 )) 2.700 0.900 0.900 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.26393E-02 ppm1 0.787 ppm2 2.904 CV 1 OR { 2197} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 383 and name HE1 )) OR { 2197} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 397 and name HB1 )) OR { 2197} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 403 and name HE2 )) OR { 2197} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 403 and name HE1 )) OR { 2197} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 383 and name HE2 )) OR { 2197} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 383 and name HE1 )) OR { 2197} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 418 and name HE1 )) OR { 2197} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 418 and name HE2 )) OR { 2197} ( segid " " and resid 406 and name HG1%) (( segid " " and resid 397 and name HB1 )) OR { 2197} ( segid " " and resid 406 and name HG2%) (( segid " " and resid 397 and name HB1 )) OR { 2197} ( segid " " and resid 406 and name HG1%) (( segid " " and resid 418 and name HE2 )) ASSI { 2198} ( segid " " and resid 386 and name HG2%) (( segid " " and resid 403 and name HE2 )) 2.800 1.000 1.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.24286E-02 ppm1 0.874 ppm2 2.901 CV 1 OR { 2198} ( segid " " and resid 386 and name HG2%) (( segid " " and resid 403 and name HE1 )) OR { 2198} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 383 and name HE2 )) OR { 2198} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 383 and name HE1 )) OR { 2198} ( segid " " and resid 400 and name HD2%) (( segid " " and resid 397 and name HB1 )) OR { 2198} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 418 and name HE1 )) OR { 2198} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 418 and name HE2 )) OR { 2198} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 423 and name HE2 )) OR { 2198} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 423 and name HE1 )) OR { 2198} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 423 and name HE2 )) OR { 2198} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 423 and name HE1 )) OR { 2198} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 421 and name HE1 )) OR { 2198} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 421 and name HE2 )) ASSI { 2227} (( segid " " and resid 390 and name HA )) ( segid " " and resid 390 and name HB% ) 2.200 0.600 0.600 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.12161E-01 ppm1 4.194 ppm2 1.354 CV 1 OR { 2227} (( segid " " and resid 437 and name HA )) (( segid " " and resid 437 and name HG1 )) OR { 2227} (( segid " " and resid 437 and name HA )) (( segid " " and resid 437 and name HG2 )) OR { 2227} (( segid " " and resid 374 and name HA )) (( segid " " and resid 374 and name HG2 )) ASSI { 2232} (( segid " " and resid 380 and name HA )) ( segid " " and resid 380 and name HB% ) 2.300 0.600 0.600 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.88857E-02 ppm1 4.033 ppm2 1.344 CV 1 OR { 2232} (( segid " " and resid 421 and name HA )) (( segid " " and resid 421 and name HG1 )) ASSI { 2238} (( segid " " and resid 406 and name HA )) (( segid " " and resid 406 and name HB )) 2.500 0.800 0.800 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.55142E-02 ppm1 4.355 ppm2 1.939 CV 1 OR { 2238} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HB2 )) ASSI { 2241} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HB2 )) 2.500 0.800 0.800 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.49787E-02 ppm1 4.130 ppm2 1.776 CV 1 OR { 2241} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HB1 )) OR { 2241} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB2 )) ASSI { 2242} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB1 )) 2.500 0.800 0.800 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.49787E-02 ppm1 4.132 ppm2 1.764 CV 1 OR { 2242} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HB2 )) OR { 2242} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HB1 )) OR { 2242} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB2 )) ASSI { 2243} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HG1 )) 2.700 0.900 0.900 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.46357E-02 ppm1 4.179 ppm2 2.240 CV 1 OR { 2243} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HG2 )) OR { 2243} (( segid " " and resid 402 and name HA )) (( segid " " and resid 402 and name HG2 )) OR { 2243} (( segid " " and resid 402 and name HA )) (( segid " " and resid 402 and name HG1 )) ASSI { 2249} (( segid " " and resid 397 and name HB2 )) ( segid " " and resid 390 and name HB% ) 2.900 1.100 1.100 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.19107E-02 ppm1 3.055 ppm2 1.356 CV 1 OR { 2249} (( segid " " and resid 397 and name HB2 )) ( segid " " and resid 396 and name HB% ) ASSI { 2258} (( segid " " and resid 423 and name HA )) (( segid " " and resid 422 and name HG2 )) 3.000 1.100 1.100 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.31607E-02 ppm1 4.108 ppm2 2.179 CV 1 OR { 2258} (( segid " " and resid 377 and name HB )) (( segid " " and resid 381 and name HG2 )) OR { 2258} (( segid " " and resid 377 and name HB )) (( segid " " and resid 381 and name HG1 )) OR { 2258} (( segid " " and resid 377 and name HB )) (( segid " " and resid 378 and name HG2 )) OR { 2258} (( segid " " and resid 418 and name HA )) (( segid " " and resid 422 and name HG2 )) OR { 2258} (( segid " " and resid 377 and name HB )) (( segid " " and resid 378 and name HG1 )) ASSI { 2261} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HB1 )) 2.800 1.000 1.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.29679E-02 ppm1 4.241 ppm2 1.734 CV 1 OR { 2261} (( segid " " and resid 373 and name HA )) (( segid " " and resid 373 and name HB2 )) OR { 2261} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HB2 )) ASSI { 2263} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HB1 )) 2.700 0.900 0.900 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.36500E-02 ppm1 4.197 ppm2 1.918 CV 1 OR { 2263} (( segid " " and resid 432 and name HA )) (( segid " " and resid 432 and name HB2 )) OR { 2263} (( segid " " and resid 427 and name HA )) (( segid " " and resid 427 and name HB2 )) OR { 2263} (( segid " " and resid 375 and name HA )) (( segid " " and resid 375 and name HB1 )) ASSI { 2265} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HB2 )) 2.700 0.900 0.900 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.27893E-02 ppm1 4.236 ppm2 1.914 CV 1 OR { 2265} (( segid " " and resid 430 and name HA )) (( segid " " and resid 430 and name HB2 )) OR { 2265} (( segid " " and resid 432 and name HA )) (( segid " " and resid 432 and name HB2 )) OR { 2265} (( segid " " and resid 375 and name HA )) (( segid " " and resid 375 and name HB1 )) ASSI { 2272} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HB2 )) 2.700 0.900 0.900 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.25893E-02 ppm1 4.278 ppm2 1.936 CV 1 OR { 2272} (( segid " " and resid 378 and name HA )) (( segid " " and resid 378 and name HB1 )) OR { 2272} (( segid " " and resid 378 and name HA )) (( segid " " and resid 381 and name HB1 )) ASSI { 2273} (( segid " " and resid 374 and name HA )) (( segid " " and resid 374 and name HB1 )) 2.800 1.000 1.000 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.25429E-02 ppm1 4.188 ppm2 1.684 CV 1 OR { 2273} (( segid " " and resid 437 and name HA )) (( segid " " and resid 437 and name HB2 )) OR { 2273} (( segid " " and resid 374 and name HA )) (( segid " " and resid 374 and name HB2 )) ASSI { 2274} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HD2 )) 3.100 1.200 1.200 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.22964E-02 ppm1 4.084 ppm2 1.578 CV 1 OR { 2274} (( segid " " and resid 417 and name HA )) (( segid " " and resid 417 and name HD1 )) OR { 2274} (( segid " " and resid 418 and name HA )) (( segid " " and resid 418 and name HD2 )) OR { 2274} (( segid " " and resid 418 and name HA )) (( segid " " and resid 418 and name HD1 )) ASSI { 2275} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HG2 )) 3.000 1.200 1.200 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.22822E-02 ppm1 4.168 ppm2 2.180 CV 1 OR { 2275} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG2 )) OR { 2275} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG1 )) OR { 2275} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HG1 )) ASSI { 2281} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HG2 )) 3.000 1.200 1.200 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.22822E-02 ppm1 4.191 ppm2 2.199 CV 1 OR { 2281} (( segid " " and resid 432 and name HA )) (( segid " " and resid 432 and name HG2 )) OR { 2281} (( segid " " and resid 432 and name HA )) (( segid " " and resid 432 and name HG1 )) OR { 2281} (( segid " " and resid 436 and name HA )) (( segid " " and resid 436 and name HG1 )) ASSI { 2288} (( segid " " and resid 436 and name HA )) (( segid " " and resid 434 and name HG1 )) 2.700 0.900 0.900 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.22536E-02 ppm1 4.158 ppm2 1.303 CV 1 OR { 2288} (( segid " " and resid 425 and name HA )) (( segid " " and resid 421 and name HG1 )) OR { 2288} (( segid " " and resid 436 and name HA )) (( segid " " and resid 434 and name HG2 )) OR { 2288} (( segid " " and resid 425 and name HA )) (( segid " " and resid 421 and name HG2 )) OR { 2288} (( segid " " and resid 436 and name HA )) ( segid " " and resid 438 and name HB% ) OR { 2288} (( segid " " and resid 431 and name HB )) (( segid " " and resid 434 and name HG2 )) ASSI { 2289} (( segid " " and resid 385 and name HA )) (( segid " " and resid 385 and name HD2 )) 3.100 1.200 1.200 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.19929E-02 ppm1 3.881 ppm2 1.554 CV 1 OR { 2289} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HD2 )) OR { 2289} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HD1 )) ASSI { 2298} (( segid " " and resid 373 and name HA )) (( segid " " and resid 373 and name HB1 )) 3.000 1.100 1.100 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.18464E-02 ppm1 4.256 ppm2 1.676 CV 1 OR { 2298} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HB2 )) ASSI { 2299} (( segid " " and resid 438 and name HA )) ( segid " " and resid 438 and name HB% ) 2.600 0.800 0.800 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.44393E-02 ppm1 4.222 ppm2 1.311 CV 1 OR { 2299} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HG1 )) ASSI { 2304} (( segid " " and resid 395 and name HA )) (( segid " " and resid 398 and name HG1 )) 3.200 1.200 1.200 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 3.881 ppm2 2.228 CV 1 OR { 2304} (( segid " " and resid 385 and name HA )) (( segid " " and resid 384 and name HG2 )) ASSI { 2307} (( segid " " and resid 411 and name HA )) (( segid " " and resid 410 and name HB1 )) 2.900 1.100 1.100 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.28107E-02 ppm1 4.245 ppm2 2.038 CV 1 OR { 2307} (( segid " " and resid 375 and name HA )) (( segid " " and resid 376 and name HB2 )) OR { 2307} (( segid " " and resid 401 and name HA )) (( segid " " and resid 402 and name HB2 )) ASSI { 2314} (( segid " " and resid 393 and name HB1 )) ( segid " " and resid 396 and name HB% ) 2.400 0.700 0.700 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.51677E-02 ppm1 2.663 ppm2 1.356 CV 1 OR { 2314} (( segid " " and resid 414 and name HB1 )) ( segid " " and resid 390 and name HB% ) ASSI { 2317} (( segid " " and resid 396 and name HA )) (( segid " " and resid 395 and name HB1 )) 3.100 1.200 1.200 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 3.983 ppm2 1.715 CV 1 OR { 2317} (( segid " " and resid 421 and name HA )) (( segid " " and resid 423 and name HB1 )) ASSI { 2322} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HD1 )) 3.500 1.500 1.500 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 4.128 ppm2 1.620 CV 1 OR { 2322} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HD2 )) OR { 2322} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HD1 )) OR { 2322} (( segid " " and resid 426 and name HA )) (( segid " " and resid 426 and name HD2 )) ASSI { 2369} (( segid " " and resid 393 and name HA )) (( segid " " and resid 393 and name HB1 )) 2.500 0.800 0.800 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.49357E-02 ppm1 4.545 ppm2 2.634 CV 1 OR { 2369} (( segid " " and resid 415 and name HA )) (( segid " " and resid 387 and name HB2 )) OR { 2369} (( segid " " and resid 407 and name HA )) (( segid " " and resid 407 and name HB1 )) ASSI { 2374} (( segid " " and resid 387 and name HA )) (( segid " " and resid 387 and name HB2 )) 2.700 0.900 0.900 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.45572E-02 ppm1 4.461 ppm2 2.622 CV 1 OR { 2374} (( segid " " and resid 419 and name HA )) (( segid " " and resid 419 and name HB2 )) ASSI { 2375} (( segid " " and resid 393 and name HA )) (( segid " " and resid 393 and name HB1 )) 2.700 0.900 0.900 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.32679E-02 ppm1 4.546 ppm2 2.664 CV 1 OR { 2375} (( segid " " and resid 415 and name HA )) (( segid " " and resid 387 and name HB2 )) ASSI { 2422} (( segid " " and resid 408 and name HA )) ( segid " " and resid 409 and name HG2%) 3.400 1.400 1.400 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.28965E-02 ppm1 4.563 ppm2 1.356 CV 1 OR { 2422} (( segid " " and resid 393 and name HA )) (( segid " " and resid 394 and name HB1 )) OR { 2422} (( segid " " and resid 393 and name HA )) ( segid " " and resid 396 and name HB% ) ASSI { 2470} (( segid " " and resid 387 and name HA )) ( segid " " and resid 390 and name HB% ) 3.100 1.200 1.200 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.26071E-02 ppm1 4.428 ppm2 1.352 CV 1 OR { 2470} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HD2 )) OR { 2470} (( segid " " and resid 413 and name HA )) (( segid " " and resid 413 and name HD1 )) OR { 2470} (( segid " " and resid 419 and name HA )) (( segid " " and resid 418 and name HG1 )) ASSI { 2484} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HE1 )) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.83214E-03 ppm1 4.355 ppm2 2.917 CV 1 OR { 2484} (( segid " " and resid 379 and name HA )) (( segid " " and resid 383 and name HE1 )) OR { 2484} (( segid " " and resid 379 and name HA )) (( segid " " and resid 383 and name HE2 )) OR { 2484} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HE2 )) ASSI { 2534} (( segid " " and resid 416 and name HA )) (( segid " " and resid 416 and name HB2 )) 2.600 0.900 0.900 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.22322E-02 ppm1 4.490 ppm2 1.612 CV 1 OR { 2534} (( segid " " and resid 382 and name HA )) (( segid " " and resid 386 and name HG11)) ASSI { 2565} (( segid " " and resid 407 and name HA )) (( segid " " and resid 394 and name HG1 )) 4.000 2.000 2.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.95356E-03 ppm1 4.541 ppm2 1.407 CV 1 OR { 2565} (( segid " " and resid 393 and name HA )) (( segid " " and resid 394 and name HG1 )) ASSI { 2569} (( segid " " and resid 387 and name HA )) (( segid " " and resid 386 and name HB )) 3.900 1.900 1.900 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 4.472 ppm2 2.004 CV 1 OR { 2569} (( segid " " and resid 382 and name HA )) (( segid " " and resid 384 and name HB2 )) OR { 2569} (( segid " " and resid 382 and name HA )) (( segid " " and resid 386 and name HB )) OR { 2569} (( segid " " and resid 382 and name HA )) (( segid " " and resid 384 and name HB1 )) OR { 2569} (( segid " " and resid 416 and name HA )) (( segid " " and resid 384 and name HB1 )) OR { 2569} (( segid " " and resid 416 and name HA )) (( segid " " and resid 384 and name HB2 )) OR { 2569} (( segid " " and resid 388 and name HA )) (( segid " " and resid 384 and name HB1 )) ASSI { 2615} (( segid " " and resid 404 and name HA1 )) ( segid " " and resid 416 and name HD1%) 2.700 0.900 0.900 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.28107E-02 ppm1 4.201 ppm2 0.863 CV 1 OR { 2615} (( segid " " and resid 424 and name HA )) ( segid " " and resid 420 and name HG1%) ASSI { 2958} (( segid " " and resid 430 and name HB2 )) (( segid " " and resid 430 and name HA )) 2.600 0.800 0.800 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.41572E-02 ppm1 1.915 ppm2 4.223 CV 1 OR { 2958} (( segid " " and resid 432 and name HB2 )) (( segid " " and resid 432 and name HA )) OR { 2958} (( segid " " and resid 375 and name HB1 )) (( segid " " and resid 375 and name HA )) ASSI { 2959} (( segid " " and resid 374 and name HB1 )) (( segid " " and resid 374 and name HA )) 2.600 0.800 0.800 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 1.653 ppm2 4.186 CV 1 OR { 2959} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 424 and name HA )) OR { 2959} (( segid " " and resid 374 and name HB2 )) (( segid " " and resid 374 and name HA )) OR { 2959} (( segid " " and resid 424 and name HB1 )) (( segid " " and resid 424 and name HA )) ASSI { 2966} (( segid " " and resid 385 and name HG1 )) (( segid " " and resid 385 and name HA )) 2.800 1.000 1.000 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 1.357 ppm2 3.883 CV 1 OR { 2966} (( segid " " and resid 385 and name HG2 )) (( segid " " and resid 385 and name HA )) OR { 2966} ( segid " " and resid 390 and name HB% ) (( segid " " and resid 391 and name HA )) ASSI { 2972} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 401 and name HA )) 2.600 0.800 0.800 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.36393E-02 ppm1 1.911 ppm2 4.251 CV 1 OR { 2972} (( segid " " and resid 430 and name HB2 )) (( segid " " and resid 430 and name HA )) OR { 2972} (( segid " " and resid 375 and name HB1 )) (( segid " " and resid 375 and name HA )) ASSI { 2975} (( segid " " and resid 375 and name HB2 )) (( segid " " and resid 375 and name HA )) 2.900 1.000 1.000 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.28072E-02 ppm1 1.999 ppm2 4.236 CV 1 OR { 2975} (( segid " " and resid 432 and name HB1 )) (( segid " " and resid 432 and name HA )) OR { 2975} (( segid " " and resid 430 and name HB1 )) (( segid " " and resid 430 and name HA )) ASSI { 2978} (( segid " " and resid 424 and name HB1 )) (( segid " " and resid 421 and name HA )) 2.800 1.000 1.000 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.38821E-02 ppm1 1.616 ppm2 4.026 CV 1 OR { 2978} (( segid " " and resid 421 and name HD1 )) (( segid " " and resid 421 and name HA )) OR { 2978} (( segid " " and resid 421 and name HD2 )) (( segid " " and resid 421 and name HA )) OR { 2978} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 421 and name HA )) OR { 2978} (( segid " " and resid 383 and name HD1 )) (( segid " " and resid 380 and name HA )) ASSI { 2980} (( segid " " and resid 434 and name HB1 )) (( segid " " and resid 434 and name HA )) 2.800 1.000 1.000 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.25714E-02 ppm1 1.738 ppm2 4.236 CV 1 OR { 2980} (( segid " " and resid 373 and name HB2 )) (( segid " " and resid 373 and name HA )) OR { 2980} (( segid " " and resid 401 and name HD2 )) (( segid " " and resid 401 and name HA )) ASSI { 2990} (( segid " " and resid 437 and name HB1 )) (( segid " " and resid 437 and name HA )) 3.000 1.100 1.100 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.19750E-02 ppm1 1.759 ppm2 4.188 CV 1 OR { 2990} (( segid " " and resid 426 and name HB1 )) (( segid " " and resid 427 and name HA )) OR { 2990} (( segid " " and resid 423 and name HB1 )) (( segid " " and resid 424 and name HA )) ASSI { 2991} (( segid " " and resid 422 and name HG2 )) (( segid " " and resid 423 and name HA )) 3.100 1.200 1.200 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.19715E-02 ppm1 2.184 ppm2 4.107 CV 1 OR { 2991} (( segid " " and resid 378 and name HG2 )) (( segid " " and resid 377 and name HB )) OR { 2991} (( segid " " and resid 378 and name HG1 )) (( segid " " and resid 377 and name HB )) OR { 2991} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 423 and name HA )) ASSI { 2995} (( segid " " and resid 434 and name HB1 )) (( segid " " and resid 434 and name HA )) 2.900 1.100 1.100 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.25714E-02 ppm1 1.710 ppm2 4.257 CV 1 OR { 2995} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 429 and name HA )) OR { 2995} (( segid " " and resid 401 and name HD2 )) (( segid " " and resid 401 and name HA )) ASSI { 2998} (( segid " " and resid 378 and name HB1 )) (( segid " " and resid 378 and name HA )) 3.000 1.100 1.100 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.18357E-02 ppm1 1.965 ppm2 4.312 CV 1 OR { 2998} (( segid " " and resid 376 and name HB1 )) (( segid " " and resid 376 and name HA )) ASSI { 2999} (( segid " " and resid 423 and name HD1 )) (( segid " " and resid 423 and name HA )) 3.200 1.300 1.300 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 1.590 ppm2 4.121 CV 1 OR { 2999} (( segid " " and resid 423 and name HD2 )) (( segid " " and resid 423 and name HA )) OR { 2999} (( segid " " and resid 418 and name HD2 )) (( segid " " and resid 418 and name HA )) OR { 2999} (( segid " " and resid 418 and name HD1 )) (( segid " " and resid 418 and name HA )) ASSI { 3002} (( segid " " and resid 410 and name HG1 )) (( segid " " and resid 410 and name HA )) 3.000 1.100 1.100 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.22286E-02 ppm1 2.147 ppm2 4.133 CV 1 OR { 3002} (( segid " " and resid 410 and name HG2 )) (( segid " " and resid 410 and name HA )) OR { 3002} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 425 and name HA )) OR { 3002} (( segid " " and resid 425 and name HG1 )) (( segid " " and resid 425 and name HA )) ASSI { 3003} (( segid " " and resid 432 and name HG2 )) (( segid " " and resid 432 and name HA )) 3.200 1.300 1.300 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.16643E-02 ppm1 2.193 ppm2 4.214 CV 1 OR { 3003} (( segid " " and resid 430 and name HG2 )) (( segid " " and resid 430 and name HA )) OR { 3003} (( segid " " and resid 432 and name HG1 )) (( segid " " and resid 432 and name HA )) OR { 3003} (( segid " " and resid 430 and name HG1 )) (( segid " " and resid 430 and name HA )) ASSI { 3010} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 381 and name HA )) 3.600 1.600 1.600 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.15357E-02 ppm1 2.235 ppm2 4.027 CV 1 OR { 3010} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 381 and name HA )) OR { 3010} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 380 and name HA )) OR { 3010} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 380 and name HA )) ASSI { 3016} (( segid " " and resid 426 and name HG1 )) (( segid " " and resid 426 and name HA )) 2.800 1.000 1.000 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.28643E-02 ppm1 1.398 ppm2 4.143 CV 1 OR { 3016} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 426 and name HA )) OR { 3016} (( segid " " and resid 423 and name HG2 )) (( segid " " and resid 423 and name HA )) ASSI { 3017} ( segid " " and resid 438 and name HB% ) (( segid " " and resid 437 and name HA )) 3.000 1.100 1.100 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 1.299 ppm2 4.161 CV 1 OR { 3017} (( segid " " and resid 434 and name HG1 )) (( segid " " and resid 436 and name HA )) OR { 3017} (( segid " " and resid 421 and name HG1 )) (( segid " " and resid 425 and name HA )) OR { 3017} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 436 and name HA )) OR { 3017} (( segid " " and resid 421 and name HG2 )) (( segid " " and resid 425 and name HA )) OR { 3017} (( segid " " and resid 423 and name HG1 )) (( segid " " and resid 426 and name HA )) ASSI { 3023} (( segid " " and resid 398 and name HG1 )) (( segid " " and resid 395 and name HA )) 3.400 1.500 1.500 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.10036E-02 ppm1 2.229 ppm2 3.870 CV 1 OR { 3023} (( segid " " and resid 384 and name HG1 )) (( segid " " and resid 385 and name HA )) OR { 3023} (( segid " " and resid 384 and name HG2 )) (( segid " " and resid 385 and name HA )) ASSI { 3050} (( segid " " and resid 435 and name HN )) (( segid " " and resid 434 and name HA )) 2.700 0.900 0.900 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.35108E-02 ppm1 8.312 ppm2 4.252 CV 1 OR { 3050} (( segid " " and resid 430 and name HN )) (( segid " " and resid 430 and name HA )) OR { 3050} (( segid " " and resid 374 and name HN )) (( segid " " and resid 373 and name HA )) OR { 3050} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HA )) ASSI { 3052} (( segid " " and resid 386 and name HN )) (( segid " " and resid 386 and name HA )) 2.600 0.900 0.900 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.33965E-02 ppm1 7.447 ppm2 3.661 CV 1 OR { 3052} (( segid " " and resid 387 and name HN )) (( segid " " and resid 386 and name HA )) ASSI { 3081} ( segid " " and resid 407 and name HD% ) ( segid " " and resid 409 and name HG2%) 2.300 0.700 0.700 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.89322E-02 ppm1 6.771 ppm2 1.357 CV 1 OR { 3081} ( segid " " and resid 407 and name HD% ) ( segid " " and resid 390 and name HB% ) OR { 3081} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HD2 )) OR { 3081} (( segid " " and resid 413 and name HN )) (( segid " " and resid 413 and name HD1 )) ASSI { 3099} (( segid " " and resid 383 and name HN )) (( segid " " and resid 380 and name HA )) 3.100 1.200 1.200 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.22607E-02 ppm1 8.178 ppm2 4.023 CV 1 OR { 3099} (( segid " " and resid 383 and name HN )) (( segid " " and resid 381 and name HA )) ASSI { 3111} (( segid " " and resid 386 and name HN )) (( segid " " and resid 385 and name HA )) 3.300 1.300 1.300 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 7.453 ppm2 3.888 CV 1 OR { 3111} (( segid " " and resid 387 and name HN )) (( segid " " and resid 385 and name HA )) ASSI { 3116} (( segid " " and resid 442 and name HN )) (( segid " " and resid 441 and name HA )) 3.300 1.300 1.300 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.10964E-02 ppm1 8.375 ppm2 4.291 CV 1 OR { 3116} (( segid " " and resid 378 and name HN )) (( segid " " and resid 378 and name HA )) ASSI { 3142} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HB2 )) 2.500 0.800 0.800 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.47393E-02 ppm1 8.254 ppm2 1.935 CV 1 OR { 3142} (( segid " " and resid 432 and name HN )) (( segid " " and resid 432 and name HB2 )) OR { 3142} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HB1 )) OR { 3142} (( segid " " and resid 427 and name HN )) (( segid " " and resid 427 and name HB2 )) ASSI { 3151} ( segid " " and resid 407 and name HE% ) ( segid " " and resid 409 and name HG2%) 2.500 0.800 0.800 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.41750E-02 ppm1 7.079 ppm2 1.356 CV 1 OR { 3151} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 394 and name HB1 )) OR { 3151} ( segid " " and resid 407 and name HE% ) ( segid " " and resid 390 and name HB% ) ASSI { 3156} (( segid " " and resid 386 and name HN )) (( segid " " and resid 386 and name HB )) 2.500 0.800 0.800 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.36607E-02 ppm1 7.446 ppm2 2.009 CV 1 OR { 3156} (( segid " " and resid 387 and name HN )) (( segid " " and resid 386 and name HB )) ASSI { 3161} (( segid " " and resid 384 and name HN )) (( segid " " and resid 384 and name HG2 )) 3.100 1.200 1.200 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.34143E-02 ppm1 8.308 ppm2 2.230 CV 1 OR { 3161} (( segid " " and resid 430 and name HN )) (( segid " " and resid 430 and name HG1 )) OR { 3161} (( segid " " and resid 430 and name HN )) (( segid " " and resid 430 and name HG2 )) OR { 3161} (( segid " " and resid 384 and name HN )) (( segid " " and resid 384 and name HG1 )) OR { 3161} (( segid " " and resid 422 and name HN )) (( segid " " and resid 422 and name HG1 )) OR { 3161} (( segid " " and resid 379 and name HN )) (( segid " " and resid 378 and name HG2 )) ASSI { 3165} (( segid " " and resid 399 and name HD21)) (( segid " " and resid 399 and name HB2 )) 2.400 0.700 0.700 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.31643E-02 ppm1 7.476 ppm2 2.852 CV 1 OR { 3165} (( segid " " and resid 400 and name HN )) (( segid " " and resid 399 and name HB2 )) ASSI { 3187} (( segid " " and resid 394 and name HN )) (( segid " " and resid 394 and name HB1 )) 2.800 1.000 1.000 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.25286E-02 ppm1 8.164 ppm2 1.368 CV 1 OR { 3187} (( segid " " and resid 429 and name HN )) (( segid " " and resid 429 and name HG1 )) OR { 3187} (( segid " " and resid 429 and name HN )) (( segid " " and resid 429 and name HG2 )) OR { 3187} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HG1 )) OR { 3187} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HG2 )) ASSI { 3191} (( segid " " and resid 436 and name HN )) (( segid " " and resid 436 and name HG2 )) 3.200 1.200 1.200 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.24893E-02 ppm1 8.319 ppm2 2.183 CV 1 OR { 3191} (( segid " " and resid 436 and name HN )) (( segid " " and resid 436 and name HG1 )) OR { 3191} (( segid " " and resid 422 and name HN )) (( segid " " and resid 422 and name HG2 )) OR { 3191} (( segid " " and resid 379 and name HN )) (( segid " " and resid 378 and name HG2 )) ASSI { 3204} (( segid " " and resid 414 and name HN )) ( segid " " and resid 390 and name HB% ) 3.100 1.200 1.200 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.22714E-02 ppm1 8.285 ppm2 1.352 CV 1 OR { 3204} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HG2 )) OR { 3204} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HG1 )) OR { 3204} (( segid " " and resid 384 and name HN )) ( segid " " and resid 380 and name HB% ) ASSI { 3213} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HG1 )) 3.100 1.200 1.200 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.21179E-02 ppm1 8.525 ppm2 1.364 CV 1 OR { 3213} (( segid " " and resid 417 and name HN )) (( segid " " and resid 417 and name HG2 )) OR { 3213} (( segid " " and resid 417 and name HN )) (( segid " " and resid 417 and name HG1 )) OR { 3213} (( segid " " and resid 418 and name HN )) (( segid " " and resid 418 and name HG2 )) OR { 3213} (( segid " " and resid 398 and name HN )) ( segid " " and resid 396 and name HB% ) ASSI { 3221} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HB2 )) 2.800 1.000 1.000 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.20250E-02 ppm1 8.298 ppm2 1.784 CV 1 OR { 3221} (( segid " " and resid 422 and name HN )) (( segid " " and resid 421 and name HB1 )) OR { 3221} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HB1 )) ASSI { 3244} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HB2 )) 2.800 1.000 1.000 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 7.581 ppm2 1.952 CV 1 OR { 3244} (( segid " " and resid 403 and name HN )) (( segid " " and resid 402 and name HB1 )) ASSI { 3250} (( segid " " and resid 432 and name HN )) (( segid " " and resid 432 and name HG2 )) 3.300 1.400 1.400 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.16964E-02 ppm1 8.261 ppm2 2.170 CV 1 OR { 3250} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HG1 )) OR { 3250} (( segid " " and resid 432 and name HN )) (( segid " " and resid 432 and name HG1 )) OR { 3250} (( segid " " and resid 425 and name HN )) (( segid " " and resid 425 and name HG2 )) OR { 3250} (( segid " " and resid 437 and name HN )) (( segid " " and resid 436 and name HG2 )) ASSI { 3258} (( segid " " and resid 403 and name HN )) (( segid " " and resid 403 and name HB1 )) 3.400 1.400 1.400 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.16679E-02 ppm1 7.590 ppm2 2.082 CV 1 OR { 3258} (( segid " " and resid 403 and name HN )) (( segid " " and resid 402 and name HB2 )) ASSI { 3262} (( segid " " and resid 385 and name HN )) (( segid " " and resid 385 and name HG1 )) 3.800 1.800 1.800 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 7.597 ppm2 1.376 CV 1 OR { 3262} (( segid " " and resid 385 and name HN )) (( segid " " and resid 385 and name HG2 )) OR { 3262} (( segid " " and resid 399 and name HN )) ( segid " " and resid 396 and name HB% ) ASSI { 3267} (( segid " " and resid 395 and name HN )) (( segid " " and resid 394 and name HG1 )) 3.500 1.600 1.600 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.16000E-02 ppm1 8.026 ppm2 1.406 CV 1 OR { 3267} (( segid " " and resid 397 and name HN )) (( segid " " and resid 394 and name HG1 )) ASSI { 3275} (( segid " " and resid 417 and name HN )) (( segid " " and resid 417 and name HG2 )) 3.200 1.200 1.200 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.18072E-02 ppm1 8.535 ppm2 1.397 CV 1 OR { 3275} (( segid " " and resid 417 and name HN )) (( segid " " and resid 417 and name HG1 )) OR { 3275} (( segid " " and resid 418 and name HN )) (( segid " " and resid 417 and name HG1 )) ASSI { 3279} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 397 and name HB1 )) 3.400 1.400 1.400 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.15214E-02 ppm1 6.774 ppm2 2.885 CV 1 OR { 3279} (( segid " " and resid 399 and name HD22)) (( segid " " and resid 399 and name HB2 )) ASSI { 3301} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HB2 )) 3.000 1.100 1.100 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.15857E-02 ppm1 8.303 ppm2 1.753 CV 1 OR { 3301} (( segid " " and resid 374 and name HN )) (( segid " " and resid 373 and name HB2 )) ASSI { 3304} (( segid " " and resid 430 and name HN )) (( segid " " and resid 429 and name HB2 )) 3.200 1.300 1.300 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 8.307 ppm2 1.719 CV 1 OR { 3304} (( segid " " and resid 422 and name HN )) (( segid " " and resid 423 and name HB1 )) OR { 3304} (( segid " " and resid 436 and name HN )) (( segid " " and resid 437 and name HB2 )) ASSI { 3309} (( segid " " and resid 389 and name HN )) ( segid " " and resid 390 and name HB% ) 3.500 1.500 1.500 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.12857E-02 ppm1 7.554 ppm2 1.359 CV 1 OR { 3309} (( segid " " and resid 401 and name HN )) (( segid " " and resid 403 and name HG1 )) ASSI { 3329} (( segid " " and resid 384 and name HN )) (( segid " " and resid 416 and name HB2 )) 3.500 1.500 1.500 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 8.309 ppm2 1.608 CV 1 OR { 3329} (( segid " " and resid 374 and name HN )) (( segid " " and resid 374 and name HD2 )) OR { 3329} (( segid " " and resid 374 and name HN )) (( segid " " and resid 374 and name HD1 )) OR { 3329} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HD1 )) OR { 3329} (( segid " " and resid 384 and name HN )) (( segid " " and resid 383 and name HD2 )) OR { 3329} (( segid " " and resid 422 and name HN )) (( segid " " and resid 424 and name HB1 )) OR { 3329} (( segid " " and resid 384 and name HN )) (( segid " " and resid 386 and name HG11)) OR { 3329} (( segid " " and resid 379 and name HN )) (( segid " " and resid 383 and name HD1 )) ASSI { 3348} (( segid " " and resid 383 and name HN )) (( segid " " and resid 383 and name HB1 )) 3.600 1.600 1.600 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.12179E-02 ppm1 8.184 ppm2 1.913 CV 1 OR { 3348} (( segid " " and resid 428 and name HN )) (( segid " " and resid 427 and name HB2 )) OR { 3348} (( segid " " and resid 377 and name HN )) (( segid " " and resid 376 and name HB1 )) OR { 3348} (( segid " " and resid 428 and name HN )) (( segid " " and resid 427 and name HB1 )) OR { 3348} (( segid " " and resid 421 and name HN )) (( segid " " and resid 422 and name HB2 )) ASSI { 3349} (( segid " " and resid 416 and name HN )) (( segid " " and resid 384 and name HB1 )) 3.600 1.600 1.600 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 8.653 ppm2 2.001 CV 1 OR { 3349} (( segid " " and resid 388 and name HN )) (( segid " " and resid 384 and name HB2 )) OR { 3349} (( segid " " and resid 416 and name HN )) (( segid " " and resid 384 and name HB2 )) OR { 3349} (( segid " " and resid 388 and name HN )) (( segid " " and resid 384 and name HB1 )) ASSI { 3350} (( segid " " and resid 383 and name HN )) (( segid " " and resid 384 and name HB1 )) 3.900 1.900 1.900 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 8.182 ppm2 1.988 CV 1 OR { 3350} (( segid " " and resid 383 and name HN )) (( segid " " and resid 384 and name HB2 )) OR { 3350} (( segid " " and resid 429 and name HN )) (( segid " " and resid 430 and name HB1 )) OR { 3350} (( segid " " and resid 383 and name HN )) (( segid " " and resid 386 and name HB )) ASSI { 3381} (( segid " " and resid 395 and name HN )) (( segid " " and resid 394 and name HG1 )) 3.600 1.600 1.600 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 8.025 ppm2 1.436 CV 1 OR { 3381} (( segid " " and resid 408 and name HN )) (( segid " " and resid 413 and name HB2 )) OR { 3381} (( segid " " and resid 397 and name HN )) (( segid " " and resid 394 and name HG1 )) ASSI { 3388} (( segid " " and resid 403 and name HN )) ( segid " " and resid 400 and name HD1%) 3.800 1.800 1.800 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.83214E-03 ppm1 7.605 ppm2 0.713 CV 1 OR { 3388} (( segid " " and resid 399 and name HN )) ( segid " " and resid 400 and name HD1%) ASSI { 3398} (( segid " " and resid 407 and name HZ )) (( segid " " and resid 394 and name HB1 )) 3.600 1.600 1.600 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.81427E-03 ppm1 6.922 ppm2 1.359 CV 1 OR { 3398} (( segid " " and resid 407 and name HZ )) ( segid " " and resid 409 and name HG2%) OR { 3398} (( segid " " and resid 407 and name HZ )) ( segid " " and resid 390 and name HB% ) OR { 3398} (( segid " " and resid 407 and name HZ )) (( segid " " and resid 413 and name HD2 )) ASSI { 3400} (( segid " " and resid 415 and name HN )) ( segid " " and resid 390 and name HB% ) 3.400 1.400 1.400 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.78927E-03 ppm1 9.049 ppm2 1.358 CV 1 OR { 3400} (( segid " " and resid 407 and name HN )) ( segid " " and resid 409 and name HG2%) OR { 3400} (( segid " " and resid 407 and name HN )) ( segid " " and resid 390 and name HB% ) OR { 3400} (( segid " " and resid 415 and name HN )) (( segid " " and resid 413 and name HD2 )) OR { 3400} (( segid " " and resid 415 and name HN )) (( segid " " and resid 413 and name HD1 )) OR { 3400} (( segid " " and resid 415 and name HN )) (( segid " " and resid 418 and name HG1 )) OR { 3400} (( segid " " and resid 415 and name HN )) (( segid " " and resid 418 and name HG2 )) ASSI { 3421} (( segid " " and resid 399 and name HN )) (( segid " " and resid 400 and name HB2 )) 3.700 1.700 1.700 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.82144E-03 ppm1 7.613 ppm2 1.726 CV 1 OR { 3421} (( segid " " and resid 403 and name HN )) (( segid " " and resid 400 and name HB2 )) OR { 3421} (( segid " " and resid 399 and name HN )) (( segid " " and resid 400 and name HB1 )) OR { 3421} (( segid " " and resid 399 and name HN )) (( segid " " and resid 395 and name HB1 )) OR { 3421} (( segid " " and resid 399 and name HN )) (( segid " " and resid 401 and name HD2 )) ASSI { 3606} ( segid " " and resid 424 and name HD2%) (( segid " " and resid 424 and name HB1 )) 2.200 0.600 0.600 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.13229E-01 ppm1 0.786 ppm2 1.636 CV 1 OR { 3606} ( segid " " and resid 424 and name HD1%) (( segid " " and resid 424 and name HB2 )) OR { 3606} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 416 and name HB2 )) OR { 3606} ( segid " " and resid 424 and name HD2%) (( segid " " and resid 424 and name HB2 )) ASSI { 3607} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 394 and name HG1 )) 2.300 0.700 0.700 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.73571E-02 ppm1 0.797 ppm2 1.408 CV 1 OR { 3607} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 383 and name HG2 )) OR { 3607} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 383 and name HG1 )) ASSI { 3609} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 394 and name HB1 )) 2.000 0.500 0.500 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.71858E-02 ppm1 0.792 ppm2 1.358 CV 1 OR { 3609} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 383 and name HG2 )) ASSI { 3610} ( segid " " and resid 400 and name HD2%) ( segid " " and resid 390 and name HB% ) 2.300 0.700 0.700 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.71071E-02 ppm1 0.899 ppm2 1.357 CV 1 OR { 3610} ( segid " " and resid 400 and name HD2%) ( segid " " and resid 396 and name HB% ) ASSI { 3611} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 416 and name HB2 )) 2.400 0.700 0.700 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.68106E-02 ppm1 0.861 ppm2 1.607 CV 1 OR { 3611} ( segid " " and resid 386 and name HG2%) (( segid " " and resid 386 and name HG11)) ASSI { 3634} ( segid " " and resid 386 and name HG2%) (( segid " " and resid 403 and name HD2 )) 3.300 1.400 1.400 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.13786E-02 ppm1 0.862 ppm2 1.500 CV 1 OR { 3634} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 424 and name HG )) ASSI { 3643} ( segid " " and resid 386 and name HD1%) (( segid " " and resid 403 and name HB1 )) 3.100 1.200 1.200 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.10714E-02 ppm1 0.776 ppm2 2.101 CV 1 OR { 3643} (( segid " " and resid 394 and name HB2 )) (( segid " " and resid 398 and name HB2 )) ASSI { 3644} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 421 and name HG1 )) 3.800 1.800 1.800 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.99999E-03 ppm1 0.876 ppm2 1.301 CV 1 OR { 3644} ( segid " " and resid 420 and name HG2%) (( segid " " and resid 421 and name HG2 )) OR { 3644} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 423 and name HG1 )) OR { 3644} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 421 and name HG2 )) OR { 3644} ( segid " " and resid 420 and name HG1%) (( segid " " and resid 421 and name HG1 )) ASSI { 3661} (( segid " " and resid 386 and name HB )) ( segid " " and resid 386 and name HG2%) 2.200 0.600 0.600 peak 3661 spectrum 1 weight 0.10000E+01 volume 0.90144E-02 ppm1 2.017 ppm2 0.856 CV 1 OR { 3661} (( segid " " and resid 420 and name HB )) ( segid " " and resid 420 and name HG2%) OR { 3661} (( segid " " and resid 420 and name HB )) ( segid " " and resid 420 and name HG1%) ASSI { 3665} ( segid " " and resid 390 and name HB% ) ( segid " " and resid 400 and name HD1%) 3.000 1.100 1.100 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.24179E-02 ppm1 1.363 ppm2 0.714 CV 1 OR { 3665} ( segid " " and resid 396 and name HB% ) ( segid " " and resid 400 and name HD1%) ASSI { 3674} (( segid " " and resid 403 and name HD2 )) ( segid " " and resid 386 and name HG2%) 3.000 1.100 1.100 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.10286E-02 ppm1 1.505 ppm2 0.843 CV 1 OR { 3674} (( segid " " and resid 385 and name HD2 )) ( segid " " and resid 386 and name HG2%) ASSI { 3677} (( segid " " and resid 383 and name HB2 )) ( segid " " and resid 416 and name HD1%) 3.100 1.200 1.200 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.30179E-02 ppm1 1.774 ppm2 0.865 CV 1 OR { 3677} (( segid " " and resid 400 and name HB1 )) ( segid " " and resid 386 and name HG2%) OR { 3677} (( segid " " and resid 400 and name HB2 )) ( segid " " and resid 386 and name HG2%) OR { 3677} (( segid " " and resid 417 and name HB1 )) ( segid " " and resid 420 and name HG2%) ASSI { 3680} (( segid " " and resid 383 and name HE2 )) ( segid " " and resid 416 and name HD1%) 2.800 1.000 1.000 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 2.898 ppm2 0.881 CV 1 OR { 3680} (( segid " " and resid 383 and name HE1 )) ( segid " " and resid 416 and name HD1%) OR { 3680} (( segid " " and resid 397 and name HB1 )) ( segid " " and resid 400 and name HD2%) OR { 3680} (( segid " " and resid 403 and name HE2 )) ( segid " " and resid 400 and name HD2%) OR { 3680} (( segid " " and resid 403 and name HE1 )) ( segid " " and resid 400 and name HD2%) OR { 3680} (( segid " " and resid 418 and name HE1 )) ( segid " " and resid 416 and name HD1%) ASSI { 3684} (( segid " " and resid 383 and name HE2 )) ( segid " " and resid 386 and name HD1%) 2.700 0.900 0.900 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 2.900 ppm2 0.796 CV 1 OR { 3684} (( segid " " and resid 383 and name HE1 )) ( segid " " and resid 386 and name HD1%) OR { 3684} (( segid " " and resid 397 and name HB1 )) (( segid " " and resid 394 and name HB2 )) OR { 3684} (( segid " " and resid 403 and name HE2 )) ( segid " " and resid 386 and name HD1%) OR { 3684} (( segid " " and resid 403 and name HE1 )) ( segid " " and resid 386 and name HD1%) OR { 3684} (( segid " " and resid 383 and name HE2 )) ( segid " " and resid 416 and name HD2%) OR { 3684} (( segid " " and resid 383 and name HE1 )) ( segid " " and resid 416 and name HD2%) OR { 3684} (( segid " " and resid 397 and name HB1 )) ( segid " " and resid 406 and name HG1%) OR { 3684} (( segid " " and resid 397 and name HB1 )) ( segid " " and resid 406 and name HG2%) ASSI { 3694} (( segid " " and resid 385 and name HE2 )) (( segid " " and resid 385 and name HG2 )) 2.600 2.600 3.400 peak 3694 spectrum 1 weight 0.10000E+01 volume 0.45572E-02 ppm1 2.890 ppm2 1.359 CV 1 OR { 3694} (( segid " " and resid 403 and name HE1 )) (( segid " " and resid 403 and name HG1 )) OR { 3694} (( segid " " and resid 385 and name HE1 )) (( segid " " and resid 385 and name HG1 )) OR { 3694} (( segid " " and resid 383 and name HE2 )) (( segid " " and resid 383 and name HG2 )) OR { 3694} (( segid " " and resid 374 and name HE1 )) (( segid " " and resid 374 and name HG1 )) OR { 3694} (( segid " " and resid 385 and name HE1 )) (( segid " " and resid 385 and name HG2 )) OR { 3694} (( segid " " and resid 383 and name HE2 )) (( segid " " and resid 383 and name HG1 )) OR { 3694} (( segid " " and resid 403 and name HE1 )) (( segid " " and resid 403 and name HG2 )) OR { 3694} (( segid " " and resid 429 and name HE2 )) (( segid " " and resid 429 and name HG1 )) OR { 3694} (( segid " " and resid 373 and name HE2 )) (( segid " " and resid 373 and name HG2 )) OR { 3694} (( segid " " and resid 374 and name HE1 )) (( segid " " and resid 374 and name HG2 )) OR { 3694} (( segid " " and resid 418 and name HE1 )) (( segid " " and resid 418 and name HG1 )) OR { 3694} (( segid " " and resid 418 and name HE1 )) (( segid " " and resid 418 and name HG2 )) OR { 3694} (( segid " " and resid 385 and name HE2 )) (( segid " " and resid 385 and name HG1 )) OR { 3694} (( segid " " and resid 429 and name HE2 )) (( segid " " and resid 429 and name HG2 )) OR { 3694} (( segid " " and resid 418 and name HE2 )) (( segid " " and resid 418 and name HG2 )) OR { 3694} (( segid " " and resid 383 and name HE1 )) (( segid " " and resid 383 and name HG2 )) OR { 3694} (( segid " " and resid 373 and name HE1 )) (( segid " " and resid 373 and name HG1 )) OR { 3694} (( segid " " and resid 403 and name HE2 )) (( segid " " and resid 403 and name HG1 )) OR { 3694} (( segid " " and resid 374 and name HE2 )) (( segid " " and resid 374 and name HG1 )) OR { 3694} (( segid " " and resid 373 and name HE1 )) (( segid " " and resid 373 and name HG2 )) OR { 3694} (( segid " " and resid 373 and name HE2 )) (( segid " " and resid 373 and name HG1 )) OR { 3694} (( segid " " and resid 403 and name HE2 )) (( segid " " and resid 403 and name HG2 )) OR { 3694} (( segid " " and resid 418 and name HE2 )) (( segid " " and resid 418 and name HG1 )) OR { 3694} (( segid " " and resid 437 and name HE2 )) (( segid " " and resid 437 and name HG1 )) OR { 3694} (( segid " " and resid 374 and name HE2 )) (( segid " " and resid 374 and name HG2 )) ASSI { 3700} (( segid " " and resid 385 and name HE2 )) (( segid " " and resid 385 and name HG2 )) 2.900 2.900 3.100 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.26143E-02 ppm1 2.891 ppm2 1.396 CV 1 OR { 3700} (( segid " " and resid 385 and name HE1 )) (( segid " " and resid 385 and name HG1 )) OR { 3700} (( segid " " and resid 383 and name HE2 )) (( segid " " and resid 383 and name HG2 )) OR { 3700} (( segid " " and resid 385 and name HE1 )) (( segid " " and resid 385 and name HG2 )) OR { 3700} (( segid " " and resid 383 and name HE2 )) (( segid " " and resid 383 and name HG1 )) OR { 3700} (( segid " " and resid 429 and name HE2 )) (( segid " " and resid 429 and name HG1 )) OR { 3700} (( segid " " and resid 423 and name HE1 )) (( segid " " and resid 423 and name HG2 )) OR { 3700} (( segid " " and resid 385 and name HE2 )) (( segid " " and resid 385 and name HG1 )) OR { 3700} (( segid " " and resid 429 and name HE2 )) (( segid " " and resid 429 and name HG2 )) OR { 3700} (( segid " " and resid 383 and name HE1 )) (( segid " " and resid 383 and name HG2 )) OR { 3700} (( segid " " and resid 423 and name HE2 )) (( segid " " and resid 423 and name HG2 )) OR { 3700} (( segid " " and resid 383 and name HE1 )) (( segid " " and resid 383 and name HG1 )) OR { 3700} (( segid " " and resid 426 and name HE2 )) (( segid " " and resid 426 and name HG2 )) OR { 3700} (( segid " " and resid 429 and name HE1 )) (( segid " " and resid 429 and name HG1 )) OR { 3700} (( segid " " and resid 429 and name HE1 )) (( segid " " and resid 429 and name HG2 )) ASSI { 3701} (( segid " " and resid 394 and name HA )) (( segid " " and resid 394 and name HG1 )) 2.800 1.000 1.000 peak 3701 spectrum 1 weight 0.10000E+01 volume 0.22607E-02 ppm1 2.760 ppm2 1.439 CV 1 OR { 3701} (( segid " " and resid 388 and name HB2 )) ( segid " " and resid 389 and name HB% ) ASSI { 3706} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 394 and name HB1 )) 3.200 1.300 1.300 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 2.960 ppm2 1.358 CV 1 OR { 3706} (( segid " " and resid 407 and name HB2 )) ( segid " " and resid 390 and name HB% ) OR { 3706} (( segid " " and resid 407 and name HB2 )) ( segid " " and resid 409 and name HG2%) OR { 3706} (( segid " " and resid 391 and name HE2 )) ( segid " " and resid 390 and name HB% ) OR { 3706} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 413 and name HD2 )) ASSI { 3708} (( segid " " and resid 437 and name HE1 )) (( segid " " and resid 437 and name HB1 )) 3.500 1.600 1.600 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 2.902 ppm2 1.750 CV 1 OR { 3708} (( segid " " and resid 373 and name HE2 )) (( segid " " and resid 373 and name HB2 )) OR { 3708} (( segid " " and resid 437 and name HE2 )) (( segid " " and resid 437 and name HB1 )) OR { 3708} (( segid " " and resid 373 and name HE1 )) (( segid " " and resid 373 and name HB2 )) OR { 3708} (( segid " " and resid 426 and name HE2 )) (( segid " " and resid 426 and name HB1 )) OR { 3708} (( segid " " and resid 395 and name HE1 )) (( segid " " and resid 395 and name HB1 )) OR { 3708} (( segid " " and resid 395 and name HE2 )) (( segid " " and resid 395 and name HB2 )) OR { 3708} (( segid " " and resid 426 and name HE1 )) (( segid " " and resid 426 and name HB1 )) OR { 3708} (( segid " " and resid 434 and name HE1 )) (( segid " " and resid 434 and name HB1 )) OR { 3708} (( segid " " and resid 395 and name HE2 )) (( segid " " and resid 395 and name HB1 )) OR { 3708} (( segid " " and resid 395 and name HE1 )) (( segid " " and resid 395 and name HB2 )) OR { 3708} (( segid " " and resid 426 and name HE2 )) (( segid " " and resid 426 and name HB2 )) OR { 3708} (( segid " " and resid 434 and name HE2 )) (( segid " " and resid 434 and name HB1 )) OR { 3708} (( segid " " and resid 426 and name HE1 )) (( segid " " and resid 426 and name HB2 )) OR { 3708} (( segid " " and resid 423 and name HE1 )) (( segid " " and resid 423 and name HB1 )) ASSI { 3709} (( segid " " and resid 437 and name HE1 )) (( segid " " and resid 437 and name HB1 )) 3.600 1.600 1.600 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.13107E-02 ppm1 2.898 ppm2 1.782 CV 1 OR { 3709} (( segid " " and resid 373 and name HE2 )) (( segid " " and resid 373 and name HB2 )) OR { 3709} (( segid " " and resid 421 and name HE1 )) (( segid " " and resid 421 and name HB1 )) OR { 3709} (( segid " " and resid 437 and name HE2 )) (( segid " " and resid 437 and name HB1 )) OR { 3709} (( segid " " and resid 429 and name HE1 )) (( segid " " and resid 429 and name HB1 )) OR { 3709} (( segid " " and resid 429 and name HE2 )) (( segid " " and resid 429 and name HB1 )) OR { 3709} (( segid " " and resid 373 and name HE1 )) (( segid " " and resid 373 and name HB2 )) OR { 3709} (( segid " " and resid 426 and name HE2 )) (( segid " " and resid 426 and name HB1 )) OR { 3709} (( segid " " and resid 426 and name HE1 )) (( segid " " and resid 426 and name HB1 )) OR { 3709} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 421 and name HB1 )) OR { 3709} (( segid " " and resid 426 and name HE2 )) (( segid " " and resid 426 and name HB2 )) OR { 3709} (( segid " " and resid 426 and name HE1 )) (( segid " " and resid 426 and name HB2 )) OR { 3709} (( segid " " and resid 423 and name HE1 )) (( segid " " and resid 423 and name HB2 )) ASSI { 3720} (( segid " " and resid 385 and name HG2 )) (( segid " " and resid 385 and name HE2 )) 2.600 2.600 3.400 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.44893E-02 ppm1 1.369 ppm2 2.896 CV 1 OR { 3720} (( segid " " and resid 403 and name HG1 )) (( segid " " and resid 403 and name HE1 )) OR { 3720} (( segid " " and resid 385 and name HG1 )) (( segid " " and resid 385 and name HE1 )) OR { 3720} (( segid " " and resid 383 and name HG2 )) (( segid " " and resid 383 and name HE2 )) OR { 3720} (( segid " " and resid 374 and name HG1 )) (( segid " " and resid 374 and name HE1 )) OR { 3720} (( segid " " and resid 385 and name HG2 )) (( segid " " and resid 385 and name HE1 )) OR { 3720} (( segid " " and resid 383 and name HG1 )) (( segid " " and resid 383 and name HE2 )) OR { 3720} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HE1 )) OR { 3720} (( segid " " and resid 429 and name HG1 )) (( segid " " and resid 429 and name HE2 )) OR { 3720} (( segid " " and resid 373 and name HG2 )) (( segid " " and resid 373 and name HE2 )) OR { 3720} (( segid " " and resid 423 and name HG2 )) (( segid " " and resid 423 and name HE1 )) OR { 3720} (( segid " " and resid 374 and name HG2 )) (( segid " " and resid 374 and name HE1 )) OR { 3720} (( segid " " and resid 418 and name HG1 )) (( segid " " and resid 418 and name HE1 )) OR { 3720} (( segid " " and resid 418 and name HG2 )) (( segid " " and resid 418 and name HE1 )) OR { 3720} (( segid " " and resid 385 and name HG1 )) (( segid " " and resid 385 and name HE2 )) OR { 3720} (( segid " " and resid 429 and name HG2 )) (( segid " " and resid 429 and name HE2 )) OR { 3720} (( segid " " and resid 418 and name HG2 )) (( segid " " and resid 418 and name HE2 )) OR { 3720} (( segid " " and resid 383 and name HG2 )) (( segid " " and resid 383 and name HE1 )) OR { 3720} (( segid " " and resid 373 and name HG1 )) (( segid " " and resid 373 and name HE1 )) OR { 3720} (( segid " " and resid 423 and name HG2 )) (( segid " " and resid 423 and name HE2 )) OR { 3720} (( segid " " and resid 403 and name HG1 )) (( segid " " and resid 403 and name HE2 )) OR { 3720} (( segid " " and resid 383 and name HG1 )) (( segid " " and resid 383 and name HE1 )) OR { 3720} (( segid " " and resid 374 and name HG1 )) (( segid " " and resid 374 and name HE2 )) OR { 3720} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 426 and name HE2 )) OR { 3720} (( segid " " and resid 373 and name HG2 )) (( segid " " and resid 373 and name HE1 )) OR { 3720} (( segid " " and resid 373 and name HG1 )) (( segid " " and resid 373 and name HE2 )) OR { 3720} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HE2 )) OR { 3720} (( segid " " and resid 418 and name HG1 )) (( segid " " and resid 418 and name HE2 )) OR { 3720} (( segid " " and resid 429 and name HG2 )) (( segid " " and resid 429 and name HE1 )) OR { 3720} (( segid " " and resid 437 and name HG1 )) (( segid " " and resid 437 and name HE2 )) OR { 3720} (( segid " " and resid 374 and name HG2 )) (( segid " " and resid 374 and name HE2 )) ASSI { 3727} (( segid " " and resid 403 and name HG1 )) (( segid " " and resid 403 and name HE1 )) 2.900 1.100 1.100 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.25500E-02 ppm1 1.312 ppm2 2.876 CV 1 OR { 3727} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HE1 )) OR { 3727} (( segid " " and resid 434 and name HG1 )) (( segid " " and resid 434 and name HE2 )) OR { 3727} (( segid " " and resid 395 and name HG1 )) (( segid " " and resid 395 and name HE2 )) OR { 3727} (( segid " " and resid 395 and name HG1 )) (( segid " " and resid 395 and name HE1 )) OR { 3727} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 395 and name HE2 )) OR { 3727} (( segid " " and resid 421 and name HG2 )) (( segid " " and resid 421 and name HE2 )) OR { 3727} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HE2 )) OR { 3727} (( segid " " and resid 434 and name HG1 )) (( segid " " and resid 434 and name HE1 )) OR { 3727} (( segid " " and resid 403 and name HG1 )) (( segid " " and resid 403 and name HE2 )) OR { 3727} (( segid " " and resid 423 and name HG1 )) (( segid " " and resid 423 and name HE1 )) OR { 3727} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HE2 )) OR { 3727} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 395 and name HE1 )) OR { 3727} (( segid " " and resid 434 and name HG2 )) (( segid " " and resid 434 and name HE1 )) OR { 3727} (( segid " " and resid 423 and name HG1 )) (( segid " " and resid 423 and name HE2 ))
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