NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
478183 | 2kwi | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} ( segid " " and resid 77 and name HB% ) (( segid " " and resid 414 and name HA )) 4.300 2.300 1.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.73675E-03 ppm1 1.213 ppm2 3.984 CV 1 OR { 2} ( segid " " and resid 77 and name HB% ) (( segid " " and resid 412 and name HA )) OR { 2} ( segid " " and resid 77 and name HB% ) (( segid " " and resid 418 and name HA2 )) OR { 2} ( segid " " and resid 77 and name HB% ) (( segid " " and resid 419 and name HA2 )) ASSI { 3} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 413 and name HD2 )) 4.500 2.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.76688E-03 ppm1 0.413 ppm2 6.739 CV 1 OR { 3} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 417 and name HE22)) ASSI { 4} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 413 and name HD2 )) 4.000 2.000 2.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.75961E-03 ppm1 0.415 ppm2 6.764 CV 1 OR { 4} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 417 and name HE22)) ASSI { 5} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 430 and name HA )) 4.200 2.300 1.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.66609E-03 ppm1 -0.265 ppm2 3.936 CV 1 OR { 5} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 433 and name HA )) ASSI { 17} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 65 and name HB3 )) 2.300 2.300 3.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10880E-02 ppm1 0.872 ppm2 2.258 CV 1 OR { 17} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 16 and name HE2 )) ASSI { 19} (( segid " " and resid 430 and name HZ2 )) (( segid " " and resid 18 and name HG12)) 4.200 2.200 1.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.75650E-03 ppm1 7.128 ppm2 1.390 CV 1 OR { 19} (( segid " " and resid 430 and name HZ2 )) (( segid " " and resid 67 and name HB3 )) ASSI { 1} (( segid " " and resid 446 and name HA )) (( segid " " and resid 445 and name HB2 )) 2.600 2.600 3.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.60763E-03 ppm1 4.004 ppm2 1.873 CV 1 OR { 1} (( segid " " and resid 446 and name HA )) (( segid " " and resid 442 and name HB2 )) OR { 1} (( segid " " and resid 446 and name HA )) (( segid " " and resid 444 and name HB3 )) ASSI { 4} ( segid " " and resid 446 and name HB% ) ( segid " " and resid 398 and name HG2%) 1.800 1.800 4.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.51575E-02 ppm1 1.240 ppm2 0.837 CV 1 OR { 4} ( segid " " and resid 446 and name HB% ) ( segid " " and resid 443 and name HD1%) ASSI { 5} ( segid " " and resid 446 and name HB% ) ( segid " " and resid 398 and name HD1%) 1.800 1.800 4.200 peak 5 spectrum 1 weight 0.10000E+01 volume 0.53756E-02 ppm1 1.239 ppm2 0.707 CV 1 OR { 5} ( segid " " and resid 446 and name HB% ) ( segid " " and resid 443 and name HD2%) ASSI { 7} (( segid " " and resid 416 and name HA )) (( segid " " and resid 416 and name HB2 )) 3.200 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.17386E-02 ppm1 4.192 ppm2 1.397 CV 1 OR { 7} (( segid " " and resid 416 and name HA )) (( segid " " and resid 420 and name HG13)) ASSI { 10} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 434 and name HA )) 2.000 0.500 0.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.15438E-01 ppm1 1.855 ppm2 3.994 CV 1 OR { 10} (( segid " " and resid 441 and name HB3 )) (( segid " " and resid 441 and name HA )) ASSI { 11} (( segid " " and resid 433 and name HB2 )) ( segid " " and resid 409 and name HD1%) 3.300 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.32968E-02 ppm1 1.855 ppm2 0.766 CV 1 OR { 11} (( segid " " and resid 403 and name HB3 )) ( segid " " and resid 402 and name HG2%) OR { 11} (( segid " " and resid 403 and name HB2 )) ( segid " " and resid 402 and name HG2%) OR { 11} (( segid " " and resid 434 and name HB3 )) ( segid " " and resid 435 and name HD1%) OR { 11} (( segid " " and resid 441 and name HB3 )) ( segid " " and resid 439 and name HD1%) OR { 11} (( segid " " and resid 441 and name HB3 )) ( segid " " and resid 398 and name HG2%) OR { 11} (( segid " " and resid 434 and name HB3 )) ( segid " " and resid 435 and name HG2%) OR { 11} (( segid " " and resid 433 and name HB2 )) ( segid " " and resid 435 and name HD1%) OR { 11} (( segid " " and resid 403 and name HB2 )) ( segid " " and resid 439 and name HD2%) ASSI { 12} (( segid " " and resid 393 and name HB2 )) ( segid " " and resid 394 and name HG2%) 5.400 3.600 0.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.46226E-03 ppm1 2.017 ppm2 1.168 CV 1 OR { 12} (( segid " " and resid 393 and name HB2 )) ( segid " " and resid 446 and name HB% ) ASSI { 13} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 404 and name HD3 )) 3.400 1.500 1.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.20729E-02 ppm1 2.261 ppm2 3.130 CV 1 OR { 13} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 404 and name HD2 )) OR { 13} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 404 and name HD3 )) OR { 13} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 404 and name HD2 )) OR { 13} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 403 and name HD2 )) OR { 13} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 403 and name HD3 )) OR { 13} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 403 and name HD2 )) ASSI { 14} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 402 and name H )) 4.300 2.300 1.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.10437E-02 ppm1 2.267 ppm2 8.645 CV 1 OR { 14} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 402 and name H )) OR { 14} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 402 and name H )) ASSI { 15} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 402 and name H )) 4.900 2.900 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.47679E-03 ppm1 2.231 ppm2 8.662 CV 1 OR { 15} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 402 and name H )) OR { 15} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 402 and name H )) OR { 15} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 402 and name H )) ASSI { 16} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 399 and name H )) 4.300 2.300 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.75590E-03 ppm1 2.261 ppm2 8.187 CV 1 OR { 16} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 435 and name H )) OR { 16} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 399 and name H )) OR { 16} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 50 and name H )) OR { 16} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 50 and name H )) OR { 16} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 435 and name H )) ASSI { 17} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 400 and name H )) 2.600 0.800 0.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.75154E-02 ppm1 2.261 ppm2 7.879 CV 1 OR { 17} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 400 and name H )) OR { 17} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 433 and name H )) OR { 17} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 433 and name H )) ASSI { 18} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 405 and name HE21)) 4.200 2.200 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.65124E-03 ppm1 2.261 ppm2 7.227 CV 1 OR { 18} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 405 and name HE21)) OR { 18} (( segid " " and resid 445 and name HG3 )) (( segid " " and resid 444 and name H )) ASSI { 19} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 434 and name HG2 )) 3.700 1.700 1.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.12850E-02 ppm1 2.257 ppm2 1.534 CV 1 OR { 19} (( segid " " and resid 427 and name HG2 )) (( segid " " and resid 423 and name HB3 )) OR { 19} (( segid " " and resid 427 and name HG2 )) (( segid " " and resid 423 and name HG )) OR { 19} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 434 and name HG3 )) OR { 19} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 434 and name HG2 )) OR { 19} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 434 and name HG3 )) OR { 19} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 403 and name HG3 )) OR { 19} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 404 and name HG2 )) OR { 19} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 404 and name HG2 )) OR { 19} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 403 and name HG3 )) OR { 19} (( segid " " and resid 400 and name HG2 )) (( segid " " and resid 399 and name HG2 )) OR { 19} (( segid " " and resid 400 and name HG3 )) (( segid " " and resid 399 and name HG2 )) OR { 19} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 436 and name HG )) ASSI { 20} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 82 and name HH )) 2.900 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.63641E-02 ppm1 2.266 ppm2 0.781 CV 1 OR { 20} (( segid " " and resid 401 and name HG2 )) ( segid " " and resid 439 and name HD2%) OR { 20} (( segid " " and resid 401 and name HG3 )) ( segid " " and resid 439 and name HD2%) OR { 20} (( segid " " and resid 401 and name HG2 )) ( segid " " and resid 439 and name HD1%) OR { 20} (( segid " " and resid 401 and name HG3 )) ( segid " " and resid 439 and name HD1%) OR { 20} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 82 and name HH )) ASSI { 21} (( segid " " and resid 401 and name HG2 )) ( segid " " and resid 439 and name HD2%) 3.200 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.46575E-02 ppm1 2.224 ppm2 0.770 CV 1 OR { 21} (( segid " " and resid 401 and name HG3 )) ( segid " " and resid 439 and name HD2%) OR { 21} (( segid " " and resid 401 and name HG2 )) ( segid " " and resid 439 and name HD1%) OR { 21} (( segid " " and resid 401 and name HG3 )) ( segid " " and resid 439 and name HD1%) OR { 21} (( segid " " and resid 431 and name HG2 )) ( segid " " and resid 435 and name HD1%) OR { 21} (( segid " " and resid 401 and name HG3 )) ( segid " " and resid 398 and name HG2%) ASSI { 28} ( segid " " and resid 398 and name HD1%) ( segid " " and resid 394 and name HG2%) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.55442E-02 ppm1 0.674 ppm2 1.212 CV 1 OR { 28} ( segid " " and resid 398 and name HD1%) ( segid " " and resid 446 and name HB% ) ASSI { 29} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 402 and name HG12)) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11164E-01 ppm1 0.684 ppm2 1.842 CV 1 OR { 29} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 402 and name HB )) OR { 29} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 443 and name HG )) OR { 29} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 399 and name HB3 )) ASSI { 30} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 398 and name HG13)) 2.100 0.500 0.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.11658E-01 ppm1 0.674 ppm2 1.646 CV 1 OR { 30} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 443 and name HB2 )) ASSI { 33} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 446 and name H )) 4.800 2.800 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.58145E-03 ppm1 0.666 ppm2 7.571 CV 1 OR { 33} ( segid " " and resid 398 and name HD1%) (( segid " " and resid 445 and name H )) ASSI { 35} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 399 and name HG3 )) 5.000 3.200 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.45064E-03 ppm1 0.942 ppm2 1.366 CV 1 OR { 35} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 442 and name HG2 )) ASSI { 36} (( segid " " and resid 398 and name HG12)) ( segid " " and resid 394 and name HG2%) 3.700 1.800 1.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.41865E-03 ppm1 0.932 ppm2 1.216 CV 1 OR { 36} (( segid " " and resid 398 and name HG12)) ( segid " " and resid 446 and name HB% ) ASSI { 37} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 442 and name HB3 )) 4.900 3.000 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.52041E-03 ppm1 0.923 ppm2 1.966 CV 1 OR { 37} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 395 and name HB3 )) OR { 37} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 395 and name HB2 )) ASSI { 38} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 442 and name HE3 )) 5.300 3.500 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.48842E-03 ppm1 0.944 ppm2 2.844 CV 1 OR { 38} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 442 and name HE2 )) OR { 38} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 399 and name HE3 )) ASSI { 39} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 395 and name HA )) 3.700 1.700 1.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.52041E-03 ppm1 0.939 ppm2 3.922 CV 1 OR { 39} (( segid " " and resid 398 and name HG12)) (( segid " " and resid 397 and name HA2 )) ASSI { 40} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 439 and name HB2 )) 3.800 1.800 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.23549E-02 ppm1 0.836 ppm2 1.230 CV 1 OR { 40} ( segid " " and resid 398 and name HG2%) ( segid " " and resid 446 and name HB% ) OR { 40} ( segid " " and resid 398 and name HG2%) ( segid " " and resid 394 and name HG2%) ASSI { 41} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 399 and name HG3 )) 3.900 1.900 1.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 0.833 ppm2 1.346 CV 1 OR { 41} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 442 and name HG2 )) ASSI { 42} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 446 and name H )) 4.700 2.800 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.60182E-03 ppm1 0.838 ppm2 7.585 CV 1 OR { 42} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 403 and name H )) OR { 42} ( segid " " and resid 398 and name HG2%) (( segid " " and resid 395 and name HE22)) ASSI { 46} (( segid " " and resid 399 and name HA )) ( segid " " and resid 398 and name HG2%) 3.400 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.25671E-02 ppm1 3.795 ppm2 0.799 CV 1 OR { 46} (( segid " " and resid 399 and name HA )) ( segid " " and resid 402 and name HG2%) OR { 46} (( segid " " and resid 399 and name HA )) ( segid " " and resid 443 and name HD2%) ASSI { 48} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 407 and name H )) 3.500 1.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.40994E-03 ppm1 2.730 ppm2 7.811 CV 1 OR { 48} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 415 and name H )) OR { 48} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 416 and name H )) ASSI { 50} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 398 and name HG13)) 3.800 1.800 1.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.11571E-02 ppm1 2.378 ppm2 1.602 CV 1 OR { 50} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 443 and name HB2 )) OR { 50} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 399 and name HG2 )) OR { 50} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 399 and name HD2 )) ASSI { 51} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 399 and name HD3 )) 4.900 2.900 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 2.230 ppm2 1.596 CV 1 OR { 51} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 443 and name HB2 )) OR { 51} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 399 and name HG2 )) OR { 51} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 399 and name HD2 )) ASSI { 52} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 398 and name HG13)) 5.000 3.100 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.55530E-03 ppm1 2.238 ppm2 1.733 CV 1 OR { 52} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 398 and name HB )) OR { 52} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 443 and name HB3 )) ASSI { 53} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 398 and name HB )) 4.100 2.100 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.78207E-03 ppm1 2.385 ppm2 1.754 CV 1 OR { 53} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 443 and name HB3 )) OR { 53} (( segid " " and resid 395 and name HG2 )) (( segid " " and resid 399 and name HB2 )) ASSI { 54} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 392 and name HA )) 4.100 2.100 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.46517E-03 ppm1 2.249 ppm2 4.293 CV 1 OR { 54} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 394 and name HB )) OR { 54} (( segid " " and resid 395 and name HG3 )) (( segid " " and resid 394 and name HA )) ASSI { 56} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 397 and name H )) 4.600 2.700 1.400 peak 56 spectrum 1 weight 0.10000E+01 volume 0.50297E-03 ppm1 1.173 ppm2 8.176 CV 1 OR { 56} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 396 and name H )) ASSI { 57} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 428 and name H )) 4.000 2.000 2.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.14740E-02 ppm1 0.787 ppm2 7.777 CV 1 OR { 57} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 430 and name H )) OR { 57} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name H )) OR { 57} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 415 and name H )) ASSI { 60} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 82 and name H )) 2.600 2.600 3.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.59891E-03 ppm1 0.220 ppm2 7.666 CV 1 OR { 60} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 430 and name HD1 )) ASSI { 62} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 400 and name HG3 )) 3.600 1.600 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.17560E-02 ppm1 1.352 ppm2 2.234 CV 1 OR { 62} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 400 and name HG2 )) OR { 62} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 395 and name HG3 )) ASSI { 63} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 393 and name HB3 )) 3.500 3.500 2.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.12385E-02 ppm1 1.353 ppm2 1.855 CV 1 OR { 63} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 443 and name HG )) OR { 63} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 402 and name HB )) OR { 63} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 403 and name HB2 )) OR { 63} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 442 and name HB2 )) OR { 63} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 402 and name HG12)) OR { 63} ( segid " " and resid 396 and name HB% ) (( segid " " and resid 439 and name HG )) ASSI { 65} ( segid " " and resid 396 and name HB% ) ( segid " " and resid 398 and name HG2%) 4.700 2.800 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 1.353 ppm2 0.839 CV 1 OR { 65} ( segid " " and resid 396 and name HB% ) ( segid " " and resid 443 and name HD1%) ASSI { 66} ( segid " " and resid 396 and name HB% ) ( segid " " and resid 398 and name HD1%) 5.000 3.100 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.95649E-03 ppm1 1.350 ppm2 0.728 CV 1 OR { 66} ( segid " " and resid 396 and name HB% ) ( segid " " and resid 443 and name HD2%) OR { 66} ( segid " " and resid 396 and name HB% ) ( segid " " and resid 402 and name HD1%) ASSI { 69} (( segid " " and resid 394 and name HB )) (( segid " " and resid 395 and name HB2 )) 4.800 2.900 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.65124E-03 ppm1 4.293 ppm2 2.005 CV 1 OR { 69} (( segid " " and resid 394 and name HB )) (( segid " " and resid 393 and name HB2 )) OR { 69} (( segid " " and resid 394 and name HB )) (( segid " " and resid 395 and name HB3 )) ASSI { 70} (( segid " " and resid 394 and name HB )) (( segid " " and resid 395 and name HA )) 4.300 2.300 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.50878E-03 ppm1 4.287 ppm2 3.861 CV 1 OR { 70} (( segid " " and resid 394 and name HB )) (( segid " " and resid 392 and name HB3 )) ASSI { 71} (( segid " " and resid 394 and name HB )) (( segid " " and resid 397 and name HA3 )) 5.100 3.200 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.47679E-03 ppm1 4.287 ppm2 3.795 CV 1 OR { 71} (( segid " " and resid 394 and name HB )) (( segid " " and resid 392 and name HB3 )) OR { 71} (( segid " " and resid 394 and name HB )) (( segid " " and resid 392 and name HB2 )) OR { 71} (( segid " " and resid 394 and name HB )) (( segid " " and resid 398 and name HA )) ASSI { 73} ( segid " " and resid 394 and name HG2%) ( segid " " and resid 398 and name HG2%) 4.200 2.200 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.20438E-02 ppm1 1.174 ppm2 0.772 CV 1 OR { 73} ( segid " " and resid 394 and name HG2%) ( segid " " and resid 443 and name HD1%) ASSI { 74} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 442 and name HB2 )) 4.100 2.100 1.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.10321E-02 ppm1 1.176 ppm2 1.913 CV 1 OR { 74} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 442 and name HB3 )) OR { 74} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 445 and name HB2 )) ASSI { 75} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 395 and name HB2 )) 4.400 2.400 1.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.13955E-02 ppm1 1.175 ppm2 2.020 CV 1 OR { 75} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 393 and name HB2 )) OR { 75} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 395 and name HB3 )) ASSI { 78} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 442 and name HE3 )) 4.400 2.400 1.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.48261E-03 ppm1 1.175 ppm2 2.839 CV 1 OR { 78} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 442 and name HE2 )) OR { 78} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 399 and name HE3 )) ASSI { 79} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 446 and name HA )) 4.300 2.300 1.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.93325E-03 ppm1 1.174 ppm2 3.972 CV 1 OR { 79} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 443 and name HA )) OR { 79} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 397 and name HA2 )) ASSI { 80} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 395 and name HA )) 3.800 1.800 1.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10234E-02 ppm1 1.173 ppm2 3.861 CV 1 OR { 80} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 397 and name HA3 )) OR { 80} ( segid " " and resid 394 and name HG2%) (( segid " " and resid 397 and name HA2 )) ASSI { 82} (( segid " " and resid 396 and name HA )) ( segid " " and resid 443 and name HD2%) 4.600 2.700 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.75590E-03 ppm1 3.972 ppm2 0.803 CV 1 OR { 82} (( segid " " and resid 396 and name HA )) ( segid " " and resid 398 and name HG2%) OR { 82} (( segid " " and resid 396 and name HA )) ( segid " " and resid 443 and name HD1%) ASSI { 83} (( segid " " and resid 396 and name HA )) (( segid " " and resid 400 and name HG3 )) 4.000 2.000 2.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.75590E-03 ppm1 3.968 ppm2 2.255 CV 1 OR { 83} (( segid " " and resid 396 and name HA )) (( segid " " and resid 400 and name HG2 )) OR { 83} (( segid " " and resid 396 and name HA )) (( segid " " and resid 395 and name HG3 )) ASSI { 85} (( segid " " and resid 398 and name HG13)) ( segid " " and resid 446 and name HB% ) 2.600 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.39132E-02 ppm1 1.670 ppm2 1.286 CV 1 OR { 85} (( segid " " and resid 398 and name HG13)) (( segid " " and resid 399 and name HG3 )) ASSI { 86} (( segid " " and resid 398 and name HG13)) ( segid " " and resid 398 and name HG2%) 2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.50733E-02 ppm1 1.671 ppm2 0.804 CV 1 OR { 86} (( segid " " and resid 398 and name HG13)) ( segid " " and resid 443 and name HD1%) ASSI { 90} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 442 and name HG2 )) 2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.28201E-02 ppm1 1.880 ppm2 1.375 CV 1 OR { 90} (( segid " " and resid 440 and name HB2 )) (( segid " " and resid 440 and name HG3 )) OR { 90} (( segid " " and resid 440 and name HB3 )) (( segid " " and resid 440 and name HG3 )) OR { 90} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name HG2 )) ASSI { 93} (( segid " " and resid 399 and name HG3 )) (( segid " " and resid 400 and name H )) 4.600 2.600 1.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.49716E-03 ppm1 1.315 ppm2 7.904 CV 1 OR { 93} (( segid " " and resid 399 and name HG3 )) (( segid " " and resid 398 and name H )) ASSI { 94} (( segid " " and resid 423 and name HG )) (( segid " " and resid 427 and name HG2 )) 4.600 2.700 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.66577E-03 ppm1 1.603 ppm2 2.240 CV 1 OR { 94} (( segid " " and resid 423 and name HG )) (( segid " " and resid 426 and name HB3 )) OR { 94} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 400 and name HG2 )) OR { 94} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 400 and name HG3 )) OR { 94} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 395 and name HG3 )) ASSI { 95} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 400 and name H )) 4.000 2.000 2.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.24248E-02 ppm1 1.639 ppm2 7.851 CV 1 OR { 95} (( segid " " and resid 412 and name HG )) (( segid " " and resid 415 and name H )) OR { 95} (( segid " " and resid 412 and name HG )) (( segid " " and resid 428 and name H )) ASSI { 96} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name H )) 3.800 1.800 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 2.835 ppm2 8.193 CV 1 OR { 96} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name H )) OR { 96} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 424 and name H )) ASSI { 99} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 442 and name HA )) 3.000 1.100 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.52942E-02 ppm1 2.848 ppm2 3.942 CV 1 OR { 99} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 442 and name HA )) OR { 99} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 396 and name HA )) OR { 99} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 425 and name HA )) OR { 99} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HA )) OR { 99} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 396 and name HA )) OR { 99} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 395 and name HA )) OR { 99} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 439 and name HA )) OR { 99} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 439 and name HA )) ASSI { 100} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 442 and name HB2 )) 2.400 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.72914E-02 ppm1 2.850 ppm2 1.882 CV 1 OR { 100} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 442 and name HB2 )) OR { 100} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 442 and name HB3 )) OR { 100} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HB2 )) OR { 100} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 442 and name HB3 )) OR { 100} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HB2 )) OR { 100} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HB3 )) OR { 100} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HB3 )) ASSI { 101} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 421 and name HB3 )) 3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.66344E-02 ppm1 2.840 ppm2 1.753 CV 1 OR { 101} (( segid " " and resid 421 and name HE3 )) (( segid " " and resid 421 and name HB3 )) OR { 101} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HB2 )) OR { 101} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HB3 )) OR { 101} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HB3 )) OR { 101} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HB2 )) OR { 101} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HB2 )) ASSI { 102} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 442 and name HD2 )) 1.700 0.400 0.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.52829E-01 ppm1 2.850 ppm2 1.571 CV 1 OR { 102} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HD3 )) OR { 102} (( segid " " and resid 421 and name HE3 )) (( segid " " and resid 421 and name HD2 )) OR { 102} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 421 and name HD3 )) OR { 102} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HD2 )) OR { 102} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 442 and name HD3 )) OR { 102} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 421 and name HD2 )) OR { 102} (( segid " " and resid 421 and name HE3 )) (( segid " " and resid 421 and name HD3 )) OR { 102} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 442 and name HD2 )) OR { 102} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 442 and name HD3 )) OR { 102} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HD3 )) OR { 102} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HD2 )) OR { 102} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HG2 )) OR { 102} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HG2 )) ASSI { 103} (( segid " " and resid 425 and name HE2 )) (( segid " " and resid 425 and name HG3 )) 2.100 0.500 0.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.15795E-01 ppm1 2.848 ppm2 1.396 CV 1 OR { 103} (( segid " " and resid 440 and name HE2 )) (( segid " " and resid 440 and name HG3 )) OR { 103} (( segid " " and resid 425 and name HE3 )) (( segid " " and resid 425 and name HG3 )) OR { 103} (( segid " " and resid 440 and name HE3 )) (( segid " " and resid 440 and name HG3 )) OR { 103} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 442 and name HG2 )) ASSI { 104} (( segid " " and resid 399 and name HE3 )) (( segid " " and resid 399 and name HG3 )) 2.600 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.52273E-02 ppm1 2.803 ppm2 1.319 CV 1 OR { 104} (( segid " " and resid 399 and name HE2 )) (( segid " " and resid 399 and name HG3 )) OR { 104} (( segid " " and resid 442 and name HE3 )) (( segid " " and resid 442 and name HG2 )) OR { 104} (( segid " " and resid 442 and name HE2 )) (( segid " " and resid 442 and name HG2 )) ASSI { 105} (( segid " " and resid 440 and name HE2 )) ( segid " " and resid 402 and name HG2%) 2.200 0.600 0.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.15234E-01 ppm1 2.847 ppm2 0.805 CV 1 OR { 105} (( segid " " and resid 399 and name HE2 )) ( segid " " and resid 443 and name HD2%) OR { 105} (( segid " " and resid 399 and name HE2 )) ( segid " " and resid 443 and name HD1%) OR { 105} (( segid " " and resid 399 and name HE3 )) ( segid " " and resid 443 and name HD2%) OR { 105} (( segid " " and resid 440 and name HE3 )) ( segid " " and resid 402 and name HG2%) OR { 105} (( segid " " and resid 399 and name HE3 )) ( segid " " and resid 443 and name HD1%) OR { 105} (( segid " " and resid 442 and name HE2 )) ( segid " " and resid 398 and name HG2%) ASSI { 107} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name HB2 )) 2.600 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.12059E-01 ppm1 1.577 ppm2 1.864 CV 1 OR { 107} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name HB2 )) OR { 107} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 441 and name HB3 )) OR { 107} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 445 and name HB2 )) OR { 107} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 445 and name HB2 )) ASSI { 108} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 445 and name HG3 )) 4.300 2.300 1.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.70357E-03 ppm1 1.586 ppm2 2.282 CV 1 OR { 108} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 400 and name HG2 )) OR { 108} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 445 and name HG3 )) OR { 108} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 400 and name HG3 )) ASSI { 109} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 445 and name HG2 )) 3.800 1.800 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 1.584 ppm2 2.219 CV 1 OR { 109} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 445 and name HG3 )) OR { 109} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 445 and name HG2 )) OR { 109} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 400 and name HG2 )) OR { 109} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 445 and name HG3 )) ASSI { 110} (( segid " " and resid 399 and name HD3 )) (( segid " " and resid 399 and name HE3 )) 1.800 0.400 0.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.29476E-01 ppm1 1.578 ppm2 2.840 CV 1 OR { 110} (( segid " " and resid 421 and name HD2 )) (( segid " " and resid 421 and name HE3 )) OR { 110} (( segid " " and resid 421 and name HD3 )) (( segid " " and resid 421 and name HE2 )) OR { 110} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 399 and name HE2 )) OR { 110} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name HE3 )) OR { 110} (( segid " " and resid 421 and name HD2 )) (( segid " " and resid 421 and name HE2 )) OR { 110} (( segid " " and resid 421 and name HD3 )) (( segid " " and resid 421 and name HE3 )) OR { 110} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name HE3 )) OR { 110} (( segid " " and resid 399 and name HD3 )) (( segid " " and resid 399 and name HE2 )) OR { 110} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 399 and name HE3 )) ASSI { 111} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name HA )) 2.200 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.82276E-02 ppm1 1.578 ppm2 3.971 CV 1 OR { 111} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name HA )) OR { 111} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 439 and name HA )) ASSI { 112} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 442 and name H )) 3.500 1.500 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.21165E-02 ppm1 1.580 ppm2 7.804 CV 1 OR { 112} (( segid " " and resid 442 and name HD3 )) (( segid " " and resid 442 and name H )) OR { 112} (( segid " " and resid 442 and name HD2 )) (( segid " " and resid 443 and name H )) ASSI { 113} (( segid " " and resid 401 and name HA )) ( segid " " and resid 439 and name HD2%) 3.800 1.800 1.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.21427E-02 ppm1 4.079 ppm2 0.744 CV 1 OR { 113} (( segid " " and resid 401 and name HA )) (( segid " " and resid 402 and name HG13)) OR { 113} (( segid " " and resid 400 and name HA )) ( segid " " and resid 402 and name HD1%) OR { 113} (( segid " " and resid 401 and name HA )) ( segid " " and resid 402 and name HG2%) OR { 113} (( segid " " and resid 401 and name HA )) ( segid " " and resid 435 and name HG2%) OR { 113} (( segid " " and resid 401 and name HA )) ( segid " " and resid 402 and name HD1%) ASSI { 114} (( segid " " and resid 400 and name HA )) (( segid " " and resid 403 and name HG3 )) 3.300 1.400 1.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 4.073 ppm2 1.487 CV 1 OR { 114} (( segid " " and resid 401 and name HA )) (( segid " " and resid 404 and name HG2 )) ASSI { 115} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HG2 )) 2.400 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.10126E-01 ppm1 4.071 ppm2 2.254 CV 1 OR { 115} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HG3 )) OR { 115} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HG2 )) OR { 115} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HG3 )) ASSI { 116} (( segid " " and resid 400 and name HA )) (( segid " " and resid 400 and name HB3 )) 2.200 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.10417E-01 ppm1 4.075 ppm2 2.064 CV 1 OR { 116} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HB3 )) OR { 116} (( segid " " and resid 401 and name HA )) (( segid " " and resid 401 and name HB2 )) ASSI { 117} (( segid " " and resid 401 and name HA )) (( segid " " and resid 404 and name HB3 )) 2.200 0.600 0.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.93936E-02 ppm1 4.070 ppm2 1.864 CV 1 OR { 117} (( segid " " and resid 400 and name HA )) (( segid " " and resid 403 and name HB2 )) OR { 117} (( segid " " and resid 400 and name HA )) (( segid " " and resid 403 and name HB3 )) OR { 117} (( segid " " and resid 400 and name HA )) (( segid " " and resid 402 and name HB )) OR { 117} (( segid " " and resid 401 and name HA )) (( segid " " and resid 439 and name HG )) OR { 117} (( segid " " and resid 401 and name HA )) (( segid " " and resid 402 and name HB )) OR { 117} (( segid " " and resid 401 and name HA )) (( segid " " and resid 402 and name HG12)) ASSI { 118} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 402 and name H )) 3.200 1.300 1.300 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 2.094 ppm2 8.638 CV 1 OR { 118} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 402 and name H )) OR { 118} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 402 and name H )) ASSI { 119} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 399 and name H )) 4.300 2.300 1.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.60472E-03 ppm1 2.080 ppm2 8.193 CV 1 OR { 119} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 399 and name H )) OR { 119} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 399 and name H )) OR { 119} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 440 and name H )) ASSI { 120} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 401 and name H )) 2.500 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.43581E-02 ppm1 2.075 ppm2 7.784 CV 1 OR { 120} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name H )) OR { 120} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 401 and name H )) ASSI { 121} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 398 and name HA )) 2.800 1.000 1.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.20177E-02 ppm1 2.087 ppm2 3.767 CV 1 OR { 121} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 398 and name HA )) OR { 121} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 399 and name HA )) OR { 121} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 399 and name HA )) ASSI { 122} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 404 and name HD3 )) 4.700 2.700 1.300 peak 122 spectrum 1 weight 0.10000E+01 volume 0.56692E-03 ppm1 2.063 ppm2 3.108 CV 1 OR { 122} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 404 and name HD2 )) OR { 122} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 403 and name HD2 )) OR { 122} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 430 and name HB3 )) OR { 122} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 404 and name HD3 )) OR { 122} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 404 and name HD2 )) OR { 122} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 403 and name HD3 )) OR { 122} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 430 and name HB3 )) ASSI { 123} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HG2 )) 2.100 0.500 0.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.18206E-01 ppm1 2.079 ppm2 2.251 CV 1 OR { 123} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 427 and name HG2 )) OR { 123} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HG2 )) OR { 123} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 400 and name HG3 )) OR { 123} (( segid " " and resid 401 and name HB2 )) (( segid " " and resid 401 and name HG2 )) OR { 123} (( segid " " and resid 401 and name HB3 )) (( segid " " and resid 401 and name HG3 )) OR { 123} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HG2 )) ASSI { 126} (( segid " " and resid 402 and name HA )) (( segid " " and resid 403 and name HG2 )) 4.900 2.900 1.100 peak 126 spectrum 1 weight 0.10000E+01 volume 0.51750E-03 ppm1 3.348 ppm2 1.663 CV 1 OR { 126} (( segid " " and resid 402 and name HA )) (( segid " " and resid 440 and name HG2 )) OR { 126} (( segid " " and resid 402 and name HA )) (( segid " " and resid 440 and name HD2 )) OR { 126} (( segid " " and resid 402 and name HA )) (( segid " " and resid 443 and name HB2 )) OR { 126} (( segid " " and resid 402 and name HA )) (( segid " " and resid 440 and name HD3 )) OR { 126} (( segid " " and resid 402 and name HA )) (( segid " " and resid 443 and name HB3 )) ASSI { 127} (( segid " " and resid 402 and name HB )) (( segid " " and resid 401 and name H )) 4.400 2.500 1.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.62506E-03 ppm1 1.848 ppm2 7.816 CV 1 OR { 127} (( segid " " and resid 402 and name HB )) (( segid " " and resid 404 and name H )) ASSI { 128} (( segid " " and resid 402 and name HB )) (( segid " " and resid 399 and name HG2 )) 4.300 2.300 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.82859E-03 ppm1 1.850 ppm2 1.599 CV 1 OR { 128} (( segid " " and resid 402 and name HB )) (( segid " " and resid 443 and name HB2 )) OR { 128} (( segid " " and resid 402 and name HB )) (( segid " " and resid 440 and name HG2 )) OR { 128} (( segid " " and resid 402 and name HB )) (( segid " " and resid 440 and name HD3 )) ASSI { 129} (( segid " " and resid 402 and name HB )) (( segid " " and resid 401 and name HB2 )) 4.400 2.500 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 1.842 ppm2 2.076 CV 1 OR { 129} (( segid " " and resid 402 and name HB )) (( segid " " and resid 401 and name HB3 )) OR { 129} (( segid " " and resid 402 and name HB )) (( segid " " and resid 405 and name HG2 )) OR { 129} (( segid " " and resid 402 and name HB )) (( segid " " and resid 406 and name HG2 )) ASSI { 131} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 399 and name H )) 3.900 1.900 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 0.681 ppm2 8.181 CV 1 OR { 131} ( segid " " and resid 402 and name HD1%) (( segid " " and resid 440 and name H )) ASSI { 132} ( segid " " and resid 402 and name HD1%) ( segid " " and resid 398 and name HG2%) 2.200 0.600 0.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.89545E-02 ppm1 0.683 ppm2 0.859 CV 1 OR { 132} ( segid " " and resid 402 and name HD1%) ( segid " " and resid 443 and name HD1%) ASSI { 133} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 440 and name HG2 )) 3.200 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.32184E-02 ppm1 0.739 ppm2 1.666 CV 1 OR { 133} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HG2 )) OR { 133} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 440 and name HD2 )) OR { 133} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 440 and name HD3 )) OR { 133} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 443 and name HB2 )) ASSI { 134} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 440 and name HG3 )) 3.700 1.800 1.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.13955E-02 ppm1 0.739 ppm2 1.352 CV 1 OR { 134} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 399 and name HG3 )) ASSI { 136} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HD2 )) 4.600 2.700 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.58436E-03 ppm1 0.741 ppm2 3.145 CV 1 OR { 136} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HD3 )) OR { 136} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 407 and name HB3 )) OR { 136} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 407 and name HB2 )) ASSI { 137} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 403 and name HA )) 3.100 1.200 1.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.26835E-02 ppm1 0.739 ppm2 3.990 CV 1 OR { 137} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 436 and name HA )) OR { 137} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 443 and name HA )) ASSI { 138} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 404 and name H )) 4.500 2.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 0.740 ppm2 7.800 CV 1 OR { 138} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 401 and name H )) OR { 138} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 407 and name H )) OR { 138} ( segid " " and resid 402 and name HG2%) (( segid " " and resid 443 and name H )) ASSI { 140} (( segid " " and resid 404 and name HA )) (( segid " " and resid 407 and name HB2 )) 2.800 1.000 1.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.56344E-02 ppm1 3.995 ppm2 3.162 CV 1 OR { 140} (( segid " " and resid 404 and name HA )) (( segid " " and resid 407 and name HB3 )) OR { 140} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HD3 )) OR { 140} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HD2 )) OR { 140} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HD2 )) OR { 140} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HD3 )) ASSI { 141} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HB3 )) 2.100 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.16580E-01 ppm1 3.996 ppm2 1.856 CV 1 OR { 141} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HB2 )) OR { 141} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HB3 )) OR { 141} (( segid " " and resid 403 and name HA )) (( segid " " and resid 406 and name HB3 )) ASSI { 142} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HG3 )) 2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.59628E-02 ppm1 3.994 ppm2 1.709 CV 1 OR { 142} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HG2 )) ASSI { 143} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HG2 )) 2.700 0.900 0.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.66461E-02 ppm1 3.995 ppm2 1.480 CV 1 OR { 143} (( segid " " and resid 403 and name HA )) (( segid " " and resid 403 and name HG3 )) ASSI { 144} (( segid " " and resid 404 and name HA )) ( segid " " and resid 408 and name HD1%) 4.200 2.200 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.12850E-02 ppm1 3.992 ppm2 0.893 CV 1 OR { 144} (( segid " " and resid 404 and name HA )) ( segid " " and resid 408 and name HD2%) OR { 144} (( segid " " and resid 403 and name HA )) ( segid " " and resid 436 and name HD2%) OR { 144} (( segid " " and resid 403 and name HA )) ( segid " " and resid 436 and name HD1%) ASSI { 145} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 404 and name HA )) 2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.37301E-02 ppm1 1.946 ppm2 4.009 CV 1 OR { 145} (( segid " " and resid 404 and name HB2 )) (( segid " " and resid 401 and name HA )) ASSI { 146} (( segid " " and resid 428 and name HD2 )) ( segid " " and resid 412 and name HD1%) 3.500 1.500 1.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 3.140 ppm2 0.844 CV 1 OR { 146} (( segid " " and resid 404 and name HD3 )) ( segid " " and resid 408 and name HD1%) OR { 146} (( segid " " and resid 404 and name HD2 )) ( segid " " and resid 408 and name HD1%) OR { 146} (( segid " " and resid 428 and name HD2 )) ( segid " " and resid 408 and name HD1%) OR { 146} (( segid " " and resid 404 and name HD2 )) ( segid " " and resid 408 and name HD2%) OR { 146} (( segid " " and resid 404 and name HD3 )) ( segid " " and resid 408 and name HD2%) ASSI { 147} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 428 and name HG3 )) 2.000 0.500 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.17531E-01 ppm1 3.139 ppm2 1.481 CV 1 OR { 147} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HG2 )) OR { 147} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HG3 )) OR { 147} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HG3 )) OR { 147} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HG2 )) OR { 147} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HG3 )) OR { 147} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HG2 )) OR { 147} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HG3 )) OR { 147} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 441 and name HG3 )) ASSI { 148} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 441 and name HG2 )) 1.800 0.400 0.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.24348E-01 ppm1 3.095 ppm2 1.683 CV 1 OR { 148} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 428 and name HG2 )) OR { 148} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name HG3 )) OR { 148} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HG2 )) OR { 148} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HG3 )) OR { 148} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name HG3 )) OR { 148} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HG3 )) OR { 148} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HG2 )) ASSI { 149} (( segid " " and resid 441 and name HD2 )) (( segid " " and resid 441 and name HB3 )) 2.200 0.600 0.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.12938E-01 ppm1 3.137 ppm2 1.859 CV 1 OR { 149} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HB3 )) OR { 149} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HB3 )) OR { 149} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 428 and name HB2 )) OR { 149} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HB3 )) OR { 149} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name HB3 )) OR { 149} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 441 and name HB3 )) OR { 149} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HB2 )) OR { 149} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HB2 )) OR { 149} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HB3 )) OR { 149} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name HB3 )) OR { 149} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HB3 )) OR { 149} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 428 and name HB3 )) ASSI { 150} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 431 and name HB3 )) 3.300 1.400 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.20119E-02 ppm1 3.141 ppm2 2.256 CV 1 OR { 150} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 401 and name HG2 )) OR { 150} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 401 and name HG2 )) OR { 150} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 445 and name HG3 )) OR { 150} (( segid " " and resid 441 and name HD2 )) (( segid " " and resid 445 and name HG3 )) ASSI { 151} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 431 and name HB2 )) 3.600 1.600 1.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 3.138 ppm2 2.094 CV 1 OR { 151} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 405 and name HG2 )) OR { 151} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 405 and name HG2 )) OR { 151} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 401 and name HB3 )) OR { 151} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 401 and name HB3 )) OR { 151} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 431 and name HG3 )) OR { 151} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 401 and name HB2 )) OR { 151} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 401 and name HB2 )) ASSI { 152} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 428 and name HA )) 2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.48318E-02 ppm1 3.140 ppm2 4.027 CV 1 OR { 152} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 442 and name HA )) OR { 152} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 401 and name HA )) OR { 152} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 401 and name HA )) OR { 152} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HA )) OR { 152} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HA )) OR { 152} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HA )) OR { 152} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HA )) ASSI { 153} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 405 and name HE21)) 4.100 2.100 1.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.83149E-03 ppm1 3.140 ppm2 7.230 CV 1 OR { 153} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name H )) OR { 153} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name H )) OR { 153} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 405 and name HE21)) ASSI { 155} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 428 and name H )) 3.600 1.600 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.22677E-02 ppm1 3.139 ppm2 7.817 CV 1 OR { 155} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name H )) OR { 155} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name H )) ASSI { 156} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 402 and name H )) 4.200 2.300 1.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.44773E-03 ppm1 3.133 ppm2 8.655 CV 1 OR { 156} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 402 and name H )) OR { 156} (( segid " " and resid 441 and name HD2 )) (( segid " " and resid 439 and name H )) OR { 156} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 409 and name H )) OR { 156} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 439 and name H )) OR { 156} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 409 and name H )) ASSI { 158} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 432 and name H )) 4.100 2.100 1.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.37504E-03 ppm1 3.143 ppm2 8.926 CV 1 OR { 158} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 406 and name H )) ASSI { 159} (( segid " " and resid 404 and name HG2 )) (( segid " " and resid 405 and name H )) 3.600 1.600 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.90707E-03 ppm1 1.477 ppm2 8.440 CV 1 OR { 159} (( segid " " and resid 434 and name HG3 )) (( segid " " and resid 436 and name H )) ASSI { 162} (( segid " " and resid 405 and name HA )) (( segid " " and resid 405 and name HE21)) 4.100 2.200 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.54949E-03 ppm1 4.139 ppm2 7.223 CV 1 OR { 162} (( segid " " and resid 405 and name HA )) ( segid " " and resid 407 and name HD% ) ASSI { 164} (( segid " " and resid 405 and name HA )) (( segid " " and resid 407 and name HB2 )) 4.500 2.500 1.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.59310E-03 ppm1 4.143 ppm2 3.194 CV 1 OR { 164} (( segid " " and resid 405 and name HA )) (( segid " " and resid 404 and name HD3 )) OR { 164} (( segid " " and resid 405 and name HA )) (( segid " " and resid 404 and name HD2 )) OR { 164} (( segid " " and resid 405 and name HA )) (( segid " " and resid 407 and name HB3 )) ASSI { 167} (( segid " " and resid 405 and name HB3 )) ( segid " " and resid 436 and name HD1%) 3.100 1.200 1.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.18781E-02 ppm1 2.146 ppm2 0.959 CV 1 OR { 167} (( segid " " and resid 405 and name HB3 )) ( segid " " and resid 432 and name HG1%) OR { 167} (( segid " " and resid 405 and name HB3 )) ( segid " " and resid 436 and name HD2%) ASSI { 168} (( segid " " and resid 405 and name HB3 )) ( segid " " and resid 435 and name HG2%) 4.300 2.300 1.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.85765E-03 ppm1 2.145 ppm2 0.788 CV 1 OR { 168} (( segid " " and resid 405 and name HB3 )) ( segid " " and resid 408 and name HD1%) OR { 168} (( segid " " and resid 405 and name HB3 )) ( segid " " and resid 439 and name HD2%) OR { 168} (( segid " " and resid 405 and name HB3 )) ( segid " " and resid 435 and name HD1%) ASSI { 169} (( segid " " and resid 405 and name HB3 )) (( segid " " and resid 409 and name HB2 )) 4.200 2.200 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.56402E-03 ppm1 2.132 ppm2 1.551 CV 1 OR { 169} (( segid " " and resid 405 and name HB3 )) (( segid " " and resid 436 and name HG )) ASSI { 170} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 409 and name HB2 )) 4.700 2.800 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.78788E-03 ppm1 1.945 ppm2 1.662 CV 1 OR { 170} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 408 and name HG )) OR { 170} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 408 and name HB3 )) OR { 170} (( segid " " and resid 405 and name HB2 )) (( segid " " and resid 435 and name HG12)) ASSI { 171} (( segid " " and resid 405 and name HB2 )) ( segid " " and resid 436 and name HD1%) 3.100 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.16135E-02 ppm1 1.942 ppm2 0.955 CV 1 OR { 171} (( segid " " and resid 405 and name HB2 )) ( segid " " and resid 436 and name HD2%) OR { 171} (( segid " " and resid 405 and name HB2 )) ( segid " " and resid 432 and name HG1%) ASSI { 175} (( segid " " and resid 405 and name HG3 )) ( segid " " and resid 435 and name HG2%) 2.900 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 2.667 ppm2 0.781 CV 1 OR { 175} (( segid " " and resid 405 and name HG3 )) ( segid " " and resid 439 and name HD2%) OR { 175} (( segid " " and resid 405 and name HG3 )) ( segid " " and resid 435 and name HD1%) ASSI { 176} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 436 and name HD1%) 4.500 2.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10437E-02 ppm1 2.053 ppm2 0.954 CV 1 OR { 176} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 436 and name HD2%) OR { 176} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 432 and name HG2%) OR { 176} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 435 and name HG13)) ASSI { 177} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 439 and name HD2%) 3.200 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.25729E-02 ppm1 2.050 ppm2 0.789 CV 1 OR { 177} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 435 and name HG2%) OR { 177} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 439 and name HD1%) OR { 177} (( segid " " and resid 405 and name HG2 )) ( segid " " and resid 408 and name HD1%) ASSI { 178} (( segid " " and resid 405 and name HG3 )) ( segid " " and resid 436 and name HD1%) 4.600 2.600 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.56111E-03 ppm1 2.665 ppm2 0.975 CV 1 OR { 178} (( segid " " and resid 405 and name HG3 )) ( segid " " and resid 436 and name HD2%) OR { 178} (( segid " " and resid 405 and name HG3 )) (( segid " " and resid 435 and name HG13)) ASSI { 179} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 405 and name HB2 )) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.21718E-02 ppm1 2.042 ppm2 1.943 CV 1 OR { 179} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 404 and name HB2 )) OR { 179} (( segid " " and resid 405 and name HG2 )) (( segid " " and resid 435 and name HB )) ASSI { 180} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 429 and name HB3 )) 4.500 2.600 1.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.64252E-03 ppm1 2.159 ppm2 1.558 CV 1 OR { 180} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 425 and name HB3 )) OR { 180} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 436 and name HG )) OR { 180} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 409 and name HB2 )) ASSI { 181} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 406 and name HB3 )) 1.700 0.400 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.92568E-02 ppm1 2.153 ppm2 1.847 CV 1 OR { 181} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 426 and name HB2 )) ASSI { 183} (( segid " " and resid 414 and name HB3 )) (( segid " " and resid 414 and name H )) 2.300 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.63553E-02 ppm1 1.854 ppm2 7.654 CV 1 OR { 183} (( segid " " and resid 441 and name HB3 )) (( segid " " and resid 441 and name H )) OR { 183} (( segid " " and resid 414 and name HB2 )) (( segid " " and resid 414 and name H )) ASSI { 184} (( segid " " and resid 406 and name HG3 )) (( segid " " and resid 403 and name HA )) 3.500 1.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.12589E-02 ppm1 2.494 ppm2 3.989 CV 1 OR { 184} (( segid " " and resid 406 and name HG3 )) (( segid " " and resid 436 and name HA )) ASSI { 185} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 423 and name HA )) 3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.89835E-03 ppm1 2.628 ppm2 3.963 CV 1 OR { 185} (( segid " " and resid 410 and name HB3 )) (( segid " " and resid 411 and name HA )) OR { 185} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 427 and name HA )) OR { 185} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 425 and name HA )) ASSI { 186} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 426 and name HA )) 3.700 1.700 1.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.90998E-03 ppm1 2.622 ppm2 3.785 CV 1 OR { 186} (( segid " " and resid 410 and name HB3 )) (( segid " " and resid 411 and name HB3 )) OR { 186} (( segid " " and resid 410 and name HB3 )) (( segid " " and resid 411 and name HB2 )) ASSI { 187} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 411 and name HA )) 5.000 3.100 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.61053E-03 ppm1 2.722 ppm2 3.957 CV 1 OR { 187} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 408 and name HA )) ASSI { 188} (( segid " " and resid 426 and name HG3 )) (( segid " " and resid 423 and name HA )) 3.500 1.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.14827E-02 ppm1 2.078 ppm2 3.985 CV 1 OR { 188} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 403 and name HA )) OR { 188} (( segid " " and resid 426 and name HG3 )) (( segid " " and resid 427 and name HA )) OR { 188} (( segid " " and resid 406 and name HG2 )) (( segid " " and resid 436 and name HA )) ASSI { 191} (( segid " " and resid 435 and name HB )) (( segid " " and resid 435 and name HG13)) 2.900 1.100 1.100 peak 191 spectrum 1 weight 0.10000E+01 volume 0.15787E-02 ppm1 1.976 ppm2 1.004 CV 1 OR { 191} (( segid " " and resid 435 and name HB )) ( segid " " and resid 432 and name HG2%) ASSI { 193} (( segid " " and resid 426 and name HG2 )) (( segid " " and resid 430 and name HE1 )) 3.900 1.900 1.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.84021E-03 ppm1 2.629 ppm2 0.847 CV 1 OR { 193} (( segid " " and resid 426 and name HG2 )) ( segid " " and resid 416 and name HD1%) OR { 193} (( segid " " and resid 410 and name HB3 )) ( segid " " and resid 409 and name HD2%) OR { 193} (( segid " " and resid 410 and name HB3 )) ( segid " " and resid 412 and name HD1%) ASSI { 195} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 409 and name HB3 )) 3.700 1.800 1.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.71810E-03 ppm1 2.727 ppm2 1.830 CV 1 OR { 195} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 414 and name HB3 )) OR { 195} (( segid " " and resid 410 and name HB2 )) (( segid " " and resid 414 and name HB2 )) ASSI { 196} (( segid " " and resid 435 and name HB )) (( segid " " and resid 436 and name HA )) 4.200 2.200 1.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.54367E-03 ppm1 1.982 ppm2 3.924 CV 1 OR { 196} (( segid " " and resid 435 and name HB )) (( segid " " and resid 433 and name HA )) OR { 196} (( segid " " and resid 435 and name HB )) (( segid " " and resid 434 and name HA )) ASSI { 199} (( segid " " and resid 411 and name HA )) (( segid " " and resid 413 and name H )) 4.600 2.700 1.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.48551E-03 ppm1 3.959 ppm2 8.140 CV 1 OR { 199} (( segid " " and resid 411 and name HA )) (( segid " " and resid 410 and name H )) OR { 199} (( segid " " and resid 430 and name HA )) (( segid " " and resid 429 and name H )) ASSI { 205} (( segid " " and resid 407 and name HA )) (( segid " " and resid 406 and name HB3 )) 3.600 1.700 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 4.217 ppm2 1.852 CV 1 OR { 205} (( segid " " and resid 407 and name HA )) (( segid " " and resid 409 and name HB3 )) OR { 205} (( segid " " and resid 407 and name HA )) (( segid " " and resid 408 and name HB2 )) ASSI { 206} (( segid " " and resid 407 and name HA )) (( segid " " and resid 408 and name HG )) 4.700 2.800 1.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.76752E-03 ppm1 4.219 ppm2 1.628 CV 1 OR { 206} (( segid " " and resid 407 and name HA )) (( segid " " and resid 409 and name HB2 )) OR { 206} (( segid " " and resid 407 and name HA )) (( segid " " and resid 408 and name HB3 )) ASSI { 207} (( segid " " and resid 424 and name HA )) (( segid " " and resid 423 and name HB3 )) 4.000 2.000 2.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.71519E-03 ppm1 4.193 ppm2 1.583 CV 1 OR { 207} (( segid " " and resid 424 and name HA )) (( segid " " and resid 423 and name HB2 )) OR { 207} (( segid " " and resid 424 and name HA )) (( segid " " and resid 425 and name HB3 )) ASSI { 208} (( segid " " and resid 411 and name HA )) (( segid " " and resid 414 and name HB3 )) 2.800 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.34771E-02 ppm1 3.956 ppm2 1.856 CV 1 OR { 208} (( segid " " and resid 430 and name HA )) (( segid " " and resid 433 and name HB2 )) OR { 208} (( segid " " and resid 411 and name HA )) (( segid " " and resid 414 and name HB2 )) ASSI { 211} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 408 and name HB2 )) 3.700 1.700 1.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.15234E-02 ppm1 3.197 ppm2 1.827 CV 1 OR { 211} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 406 and name HB3 )) OR { 211} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 406 and name HB3 )) OR { 211} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 408 and name HB2 )) ASSI { 213} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 406 and name HB2 )) 3.900 1.900 1.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.52331E-03 ppm1 3.218 ppm2 2.128 CV 1 OR { 213} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 405 and name HB3 )) ASSI { 214} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 404 and name HA )) 2.900 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.27707E-02 ppm1 3.191 ppm2 3.992 CV 1 OR { 214} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 404 and name HA )) OR { 214} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 408 and name HA )) ASSI { 215} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 406 and name HA )) 4.800 2.900 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.53494E-03 ppm1 3.186 ppm2 3.816 CV 1 OR { 215} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 406 and name HA )) OR { 215} (( segid " " and resid 407 and name HB2 )) (( segid " " and resid 411 and name HB2 )) OR { 215} (( segid " " and resid 407 and name HB3 )) (( segid " " and resid 411 and name HB2 )) ASSI { 217} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 408 and name HA )) 4.100 2.100 1.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.90998E-03 ppm1 7.260 ppm2 3.986 CV 1 OR { 217} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 411 and name HA )) OR { 217} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 404 and name HA )) ASSI { 218} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 408 and name HA )) 3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.20148E-02 ppm1 7.209 ppm2 3.984 CV 1 OR { 218} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 404 and name HA )) ASSI { 219} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 411 and name HB3 )) 4.400 2.400 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.42156E-03 ppm1 7.210 ppm2 3.803 CV 1 OR { 219} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 411 and name HB2 )) OR { 219} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 406 and name HA )) ASSI { 221} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 408 and name HB2 )) 4.600 2.700 1.400 peak 221 spectrum 1 weight 0.10000E+01 volume 0.54367E-03 ppm1 7.264 ppm2 1.846 CV 1 OR { 221} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 414 and name HB2 )) OR { 221} ( segid " " and resid 407 and name HE% ) (( segid " " and resid 409 and name HB3 )) ASSI { 222} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 408 and name HB2 )) 4.200 2.200 1.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.10437E-02 ppm1 7.214 ppm2 1.826 CV 1 OR { 222} ( segid " " and resid 407 and name HD% ) (( segid " " and resid 406 and name HB3 )) ASSI { 228} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name H )) 2.400 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.36254E-02 ppm1 3.995 ppm2 7.798 CV 1 OR { 228} (( segid " " and resid 442 and name HA )) (( segid " " and resid 443 and name H )) ASSI { 229} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HG3 )) 3.200 1.300 1.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.25293E-02 ppm1 3.923 ppm2 2.226 CV 1 OR { 229} (( segid " " and resid 442 and name HA )) (( segid " " and resid 445 and name HG3 )) ASSI { 230} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HD2 )) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.55355E-02 ppm1 3.933 ppm2 1.557 CV 1 OR { 230} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB2 )) OR { 230} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HB3 )) OR { 230} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name HG )) OR { 230} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HG3 )) OR { 230} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HD3 )) ASSI { 232} (( segid " " and resid 408 and name HA )) ( segid " " and resid 408 and name HD2%) 2.200 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.12804E-01 ppm1 3.985 ppm2 0.839 CV 1 OR { 232} (( segid " " and resid 439 and name HA )) ( segid " " and resid 439 and name HD1%) OR { 232} (( segid " " and resid 412 and name HA )) ( segid " " and resid 412 and name HD1%) OR { 232} (( segid " " and resid 408 and name HA )) ( segid " " and resid 408 and name HD1%) ASSI { 233} (( segid " " and resid 409 and name HB3 )) ( segid " " and resid 409 and name HD2%) 2.500 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.60966E-02 ppm1 1.825 ppm2 0.848 CV 1 OR { 233} (( segid " " and resid 408 and name HB2 )) ( segid " " and resid 408 and name HD1%) OR { 233} (( segid " " and resid 408 and name HB2 )) ( segid " " and resid 408 and name HD2%) ASSI { 234} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 408 and name HB3 )) 1.700 0.400 0.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.76549E-02 ppm1 1.825 ppm2 1.634 CV 1 OR { 234} (( segid " " and resid 409 and name HB3 )) (( segid " " and resid 409 and name HB2 )) OR { 234} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 408 and name HG )) ASSI { 236} (( segid " " and resid 409 and name HB3 )) (( segid " " and resid 406 and name HA )) 3.000 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 1.827 ppm2 3.797 CV 1 OR { 236} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 406 and name HA )) OR { 236} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 411 and name HB2 )) OR { 236} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 411 and name HB3 )) ASSI { 237} (( segid " " and resid 409 and name HB2 )) (( segid " " and resid 409 and name HA )) 2.800 1.000 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 1.646 ppm2 3.742 CV 1 OR { 237} (( segid " " and resid 443 and name HB2 )) (( segid " " and resid 440 and name HA )) OR { 237} (( segid " " and resid 443 and name HB3 )) (( segid " " and resid 440 and name HA )) OR { 237} (( segid " " and resid 408 and name HB3 )) (( segid " " and resid 409 and name HA )) OR { 237} (( segid " " and resid 443 and name HB2 )) (( segid " " and resid 399 and name HA )) ASSI { 238} (( segid " " and resid 416 and name HB3 )) (( segid " " and resid 416 and name HA )) 2.900 1.000 1.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.22387E-02 ppm1 1.656 ppm2 4.129 CV 1 OR { 238} (( segid " " and resid 443 and name HB3 )) (( segid " " and resid 444 and name HA )) OR { 238} (( segid " " and resid 408 and name HB3 )) (( segid " " and resid 405 and name HA )) OR { 238} (( segid " " and resid 416 and name HB3 )) (( segid " " and resid 413 and name HA )) ASSI { 240} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 429 and name HA )) 3.300 1.400 1.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.69485E-03 ppm1 1.988 ppm2 3.720 CV 1 OR { 240} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 426 and name HA )) ASSI { 241} (( segid " " and resid 408 and name HB2 )) (( segid " " and resid 436 and name H )) 3.700 1.700 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.47389E-03 ppm1 1.823 ppm2 8.426 CV 1 OR { 241} (( segid " " and resid 409 and name HB3 )) (( segid " " and resid 436 and name H )) ASSI { 245} (( segid " " and resid 409 and name HB2 )) (( segid " " and resid 410 and name H )) 4.300 2.300 1.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.55530E-03 ppm1 1.687 ppm2 8.116 CV 1 OR { 245} (( segid " " and resid 416 and name HB3 )) (( segid " " and resid 418 and name H )) OR { 245} (( segid " " and resid 408 and name HB3 )) (( segid " " and resid 410 and name H )) ASSI { 246} (( segid " " and resid 409 and name HB2 )) ( segid " " and resid 409 and name HD1%) 2.200 0.600 0.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.11016E-01 ppm1 1.649 ppm2 0.814 CV 1 OR { 246} (( segid " " and resid 408 and name HB3 )) ( segid " " and resid 408 and name HD2%) OR { 246} (( segid " " and resid 443 and name HB2 )) ( segid " " and resid 443 and name HD1%) OR { 246} (( segid " " and resid 408 and name HB3 )) ( segid " " and resid 408 and name HD1%) OR { 246} (( segid " " and resid 423 and name HB2 )) ( segid " " and resid 423 and name HD1%) OR { 246} (( segid " " and resid 423 and name HB2 )) ( segid " " and resid 423 and name HD2%) OR { 246} (( segid " " and resid 409 and name HB2 )) ( segid " " and resid 409 and name HD2%) OR { 246} (( segid " " and resid 443 and name HB3 )) ( segid " " and resid 443 and name HD1%) OR { 246} (( segid " " and resid 443 and name HB2 )) ( segid " " and resid 443 and name HD2%) OR { 246} (( segid " " and resid 443 and name HB3 )) ( segid " " and resid 443 and name HD2%) ASSI { 250} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 415 and name HB3 )) 3.700 1.700 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.29160E-02 ppm1 0.785 ppm2 2.827 CV 1 OR { 250} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name HE2 )) OR { 250} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name HE3 )) ASSI { 251} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 422 and name HB2 )) 3.600 1.700 1.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.18665E-02 ppm1 0.880 ppm2 2.650 CV 1 OR { 251} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name HG2 )) ASSI { 254} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 416 and name HG )) 2.300 0.700 0.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.67508E-02 ppm1 0.880 ppm2 1.628 CV 1 OR { 254} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 425 and name HB3 )) OR { 254} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 416 and name HB3 )) ASSI { 255} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 416 and name HB2 )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.29887E-02 ppm1 0.880 ppm2 1.422 CV 1 OR { 255} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 425 and name HD3 )) OR { 255} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 425 and name HD2 )) ASSI { 256} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 408 and name HB3 )) 2.200 0.600 0.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.57186E-02 ppm1 0.972 ppm2 1.676 CV 1 OR { 256} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 409 and name HB2 )) ASSI { 257} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 432 and name HB )) 2.200 0.600 0.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.84109E-02 ppm1 0.997 ppm2 1.875 CV 1 OR { 257} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 408 and name HB2 )) ASSI { 258} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 409 and name HB2 )) 2.500 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.65211E-02 ppm1 0.996 ppm2 1.630 CV 1 OR { 258} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 408 and name HB3 )) ASSI { 259} ( segid " " and resid 432 and name HG1%) ( segid " " and resid 412 and name HD2%) 2.400 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.45558E-02 ppm1 0.973 ppm2 0.669 CV 1 OR { 259} ( segid " " and resid 432 and name HG1%) ( segid " " and resid 402 and name HG2%) OR { 259} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 402 and name HG13)) ASSI { 261} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 412 and name HA )) 2.700 0.900 0.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.87045E-02 ppm1 0.785 ppm2 3.960 CV 1 OR { 261} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 425 and name HA )) ASSI { 262} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 406 and name HA )) 3.700 1.800 1.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 0.846 ppm2 3.786 CV 1 OR { 262} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 411 and name HB2 )) OR { 262} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 411 and name HB3 )) ASSI { 264} ( segid " " and resid 408 and name HD1%) (( segid " " and resid 405 and name HE21)) 3.700 1.800 1.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.16717E-02 ppm1 0.845 ppm2 7.214 CV 1 OR { 264} ( segid " " and resid 408 and name HD1%) ( segid " " and resid 407 and name HD% ) ASSI { 271} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 405 and name HB3 )) 2.500 2.500 3.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.78207E-03 ppm1 0.868 ppm2 2.170 CV 1 OR { 271} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 406 and name HB2 )) ASSI { 274} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 407 and name H )) 2.500 2.500 3.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.77626E-03 ppm1 0.875 ppm2 7.849 CV 1 OR { 274} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 404 and name H )) ASSI { 276} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 411 and name H )) 4.400 2.400 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.95940E-03 ppm1 0.761 ppm2 7.639 CV 1 OR { 276} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 408 and name H )) OR { 276} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 414 and name H )) ASSI { 277} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 395 and name HE22)) 4.100 2.100 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.10670E-02 ppm1 0.815 ppm2 7.569 CV 1 OR { 277} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 445 and name H )) ASSI { 281} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 399 and name H )) 2.100 2.100 3.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.21281E-02 ppm1 0.819 ppm2 8.194 CV 1 OR { 281} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 396 and name H )) ASSI { 283} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 406 and name H )) 2.800 2.800 3.200 peak 283 spectrum 1 weight 0.10000E+01 volume 0.46226E-03 ppm1 0.873 ppm2 8.884 CV 1 OR { 283} ( segid " " and resid 408 and name HD2%) (( segid " " and resid 432 and name H )) ASSI { 285} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 402 and name H )) 2.500 2.500 3.500 peak 285 spectrum 1 weight 0.10000E+01 volume 0.74718E-03 ppm1 0.826 ppm2 8.654 CV 1 OR { 285} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 439 and name H )) ASSI { 288} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 399 and name HA )) 3.200 1.200 1.200 peak 288 spectrum 1 weight 0.10000E+01 volume 0.44162E-02 ppm1 0.817 ppm2 3.756 CV 1 OR { 288} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 440 and name HA )) ASSI { 289} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HA )) 2.300 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.78904E-02 ppm1 0.763 ppm2 3.732 CV 1 OR { 289} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 429 and name HA )) OR { 289} ( segid " " and resid 443 and name HD2%) (( segid " " and resid 399 and name HA )) ASSI { 294} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HG2 )) 3.300 1.400 1.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.24944E-02 ppm1 0.762 ppm2 2.219 CV 1 OR { 294} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 433 and name HG3 )) OR { 294} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 431 and name HB3 )) ASSI { 295} ( segid " " and resid 409 and name HD1%) (( segid " " and resid 409 and name HB2 )) 1.800 0.400 0.400 peak 295 spectrum 1 weight 0.10000E+01 volume 0.27549E-01 ppm1 0.760 ppm2 1.625 CV 1 OR { 295} ( segid " " and resid 443 and name HD2%) (( segid " " and resid 443 and name HB2 )) ASSI { 296} (( segid " " and resid 409 and name HA )) ( segid " " and resid 432 and name HG2%) 2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.33376E-02 ppm1 3.712 ppm2 0.981 CV 1 OR { 296} (( segid " " and resid 409 and name HA )) ( segid " " and resid 432 and name HG1%) OR { 296} (( segid " " and resid 429 and name HA )) ( segid " " and resid 432 and name HG1%) OR { 296} (( segid " " and resid 409 and name HA )) (( segid " " and resid 412 and name HB2 )) OR { 296} (( segid " " and resid 429 and name HA )) (( segid " " and resid 412 and name HB2 )) ASSI { 298} (( segid " " and resid 409 and name HA )) ( segid " " and resid 412 and name HD2%) 3.300 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.44801E-02 ppm1 3.719 ppm2 0.634 CV 1 OR { 298} (( segid " " and resid 429 and name HA )) ( segid " " and resid 412 and name HD2%) ASSI { 299} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HB3 )) 2.800 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.34801E-02 ppm1 3.712 ppm2 1.836 CV 1 OR { 299} (( segid " " and resid 429 and name HA )) (( segid " " and resid 432 and name HB )) OR { 299} (( segid " " and resid 409 and name HA )) (( segid " " and resid 408 and name HB2 )) OR { 299} (( segid " " and resid 409 and name HA )) (( segid " " and resid 432 and name HB )) OR { 299} (( segid " " and resid 429 and name HA )) (( segid " " and resid 428 and name HB3 )) ASSI { 300} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HB2 )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.31109E-02 ppm1 3.712 ppm2 1.570 CV 1 OR { 300} (( segid " " and resid 409 and name HA )) (( segid " " and resid 409 and name HG )) OR { 300} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name HB3 )) ASSI { 301} (( segid " " and resid 429 and name HA )) (( segid " " and resid 430 and name HA )) 3.900 1.900 1.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 3.716 ppm2 3.967 CV 1 OR { 301} (( segid " " and resid 409 and name HA )) (( segid " " and resid 408 and name HA )) OR { 301} (( segid " " and resid 409 and name HA )) (( segid " " and resid 412 and name HA )) OR { 301} (( segid " " and resid 429 and name HA )) (( segid " " and resid 425 and name HA )) OR { 301} (( segid " " and resid 429 and name HA )) (( segid " " and resid 433 and name HA )) OR { 301} (( segid " " and resid 409 and name HA )) (( segid " " and resid 411 and name HA )) ASSI { 302} (( segid " " and resid 429 and name HA )) (( segid " " and resid 429 and name H )) 3.000 1.100 1.100 peak 302 spectrum 1 weight 0.10000E+01 volume 0.14159E-02 ppm1 3.715 ppm2 8.116 CV 1 OR { 302} (( segid " " and resid 409 and name HA )) (( segid " " and resid 410 and name H )) ASSI { 303} (( segid " " and resid 409 and name HA )) (( segid " " and resid 411 and name H )) 4.100 2.100 1.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.69194E-03 ppm1 3.715 ppm2 7.666 CV 1 OR { 303} (( segid " " and resid 409 and name HA )) (( segid " " and resid 408 and name H )) ASSI { 305} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 406 and name HG2 )) 2.600 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.36865E-02 ppm1 0.906 ppm2 2.092 CV 1 OR { 305} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 405 and name HB3 )) ASSI { 313} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 428 and name HD3 )) 4.700 2.700 1.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.71810E-03 ppm1 0.649 ppm2 3.034 CV 1 OR { 313} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 413 and name HB2 )) ASSI { 314} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 437 and name HB )) 2.500 2.500 3.500 peak 314 spectrum 1 weight 0.10000E+01 volume 0.78498E-03 ppm1 0.906 ppm2 4.105 CV 1 OR { 314} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 405 and name HA )) ASSI { 315} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 433 and name HE22)) 2.600 2.600 3.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.62216E-03 ppm1 0.905 ppm2 7.798 CV 1 OR { 315} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 438 and name H )) OR { 315} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 407 and name H )) ASSI { 316} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 440 and name H )) 2.600 2.600 3.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.68030E-03 ppm1 0.910 ppm2 8.136 CV 1 OR { 316} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 50 and name H )) OR { 316} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 435 and name H )) ASSI { 317} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 428 and name H )) 4.300 2.300 1.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.10205E-02 ppm1 0.646 ppm2 7.760 CV 1 OR { 317} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 416 and name H )) OR { 317} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 425 and name H )) ASSI { 318} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 439 and name H )) 2.500 2.500 3.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.88092E-03 ppm1 0.907 ppm2 8.667 CV 1 OR { 318} ( segid " " and resid 436 and name HD2%) (( segid " " and resid 409 and name H )) ASSI { 321} (( segid " " and resid 410 and name HA )) (( segid " " and resid 409 and name HG )) 3.500 1.600 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.79079E-03 ppm1 4.340 ppm2 1.483 CV 1 OR { 321} (( segid " " and resid 410 and name HA )) (( segid " " and resid 414 and name HG3 )) ASSI { 322} (( segid " " and resid 410 and name HA )) (( segid " " and resid 414 and name HG2 )) 4.000 2.000 2.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.79370E-03 ppm1 4.344 ppm2 1.679 CV 1 OR { 322} (( segid " " and resid 410 and name HA )) (( segid " " and resid 412 and name HG )) OR { 322} (( segid " " and resid 410 and name HA )) (( segid " " and resid 408 and name HB3 )) ASSI { 323} (( segid " " and resid 410 and name HA )) (( segid " " and resid 409 and name HB3 )) 3.700 1.700 1.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.95649E-03 ppm1 4.344 ppm2 1.838 CV 1 OR { 323} (( segid " " and resid 410 and name HA )) (( segid " " and resid 414 and name HB3 )) OR { 323} (( segid " " and resid 410 and name HA )) (( segid " " and resid 414 and name HB2 )) ASSI { 329} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 428 and name HB2 )) 4.300 2.300 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.82568E-03 ppm1 0.964 ppm2 1.829 CV 1 OR { 329} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 428 and name HB3 )) OR { 329} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 432 and name HB )) OR { 329} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 409 and name HB3 )) OR { 329} (( segid " " and resid 412 and name HB2 )) (( segid " " and resid 414 and name HB2 )) ASSI { 331} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 409 and name HB3 )) 4.100 2.100 1.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 1.117 ppm2 1.853 CV 1 OR { 331} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 428 and name HB2 )) OR { 331} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 432 and name HB )) OR { 331} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 428 and name HB3 )) OR { 331} (( segid " " and resid 412 and name HB3 )) (( segid " " and resid 414 and name HB2 )) ASSI { 336} (( segid " " and resid 439 and name HB2 )) (( segid " " and resid 439 and name HA )) 3.000 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 1.215 ppm2 3.897 CV 1 OR { 336} (( segid " " and resid 439 and name HB2 )) (( segid " " and resid 436 and name HA )) ASSI { 337} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 409 and name HA )) 3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.22299E-02 ppm1 0.789 ppm2 3.736 CV 1 OR { 337} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HA )) ASSI { 340} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 428 and name HB2 )) 2.500 0.800 0.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.69367E-02 ppm1 0.792 ppm2 1.871 CV 1 OR { 340} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 428 and name HB3 )) OR { 340} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 432 and name HB )) ASSI { 342} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 429 and name HG )) 2.600 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.39103E-02 ppm1 0.786 ppm2 1.427 CV 1 OR { 342} ( segid " " and resid 412 and name HD1%) (( segid " " and resid 428 and name HG3 )) ASSI { 344} (( segid " " and resid 413 and name HA )) (( segid " " and resid 416 and name HB3 )) 4.100 2.100 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 4.089 ppm2 1.658 CV 1 OR { 344} (( segid " " and resid 413 and name HA )) (( segid " " and resid 416 and name HG )) OR { 344} (( segid " " and resid 413 and name HA )) (( segid " " and resid 414 and name HG2 )) ASSI { 349} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 416 and name HB2 )) 4.600 2.700 1.400 peak 349 spectrum 1 weight 0.10000E+01 volume 0.54949E-03 ppm1 2.509 ppm2 1.447 CV 1 OR { 349} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 425 and name HD2 )) OR { 349} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 414 and name HG3 )) ASSI { 350} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 425 and name HB3 )) 4.000 2.000 2.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.81113E-03 ppm1 2.492 ppm2 1.588 CV 1 OR { 350} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 421 and name HB2 )) OR { 350} (( segid " " and resid 415 and name HB2 )) (( segid " " and resid 429 and name HB3 )) ASSI { 351} (( segid " " and resid 415 and name HB2 )) ( segid " " and resid 420 and name HD1%) 4.600 2.600 1.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.65996E-03 ppm1 2.486 ppm2 0.780 CV 1 OR { 351} (( segid " " and resid 415 and name HB2 )) ( segid " " and resid 420 and name HG2%) OR { 351} (( segid " " and resid 415 and name HB2 )) ( segid " " and resid 412 and name HD1%) ASSI { 352} (( segid " " and resid 415 and name HB3 )) (( segid " " and resid 416 and name HB2 )) 4.600 2.700 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.55530E-03 ppm1 2.787 ppm2 1.446 CV 1 OR { 352} (( segid " " and resid 415 and name HB3 )) (( segid " " and resid 425 and name HD2 )) OR { 352} (( segid " " and resid 415 and name HB3 )) (( segid " " and resid 414 and name HG3 )) ASSI { 353} (( segid " " and resid 416 and name HA )) (( segid " " and resid 415 and name HB3 )) 4.000 2.000 2.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.62506E-03 ppm1 4.204 ppm2 2.803 CV 1 OR { 353} (( segid " " and resid 416 and name HA )) (( segid " " and resid 425 and name HE3 )) ASSI { 358} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 409 and name HA )) 2.900 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.30526E-02 ppm1 0.996 ppm2 3.712 CV 1 OR { 358} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 429 and name HA )) ASSI { 360} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 409 and name HA )) 3.100 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.17386E-02 ppm1 0.973 ppm2 3.713 CV 1 OR { 360} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 429 and name HA )) ASSI { 361} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 433 and name HA )) 3.400 1.500 1.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 0.996 ppm2 3.959 CV 1 OR { 361} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 436 and name HA )) OR { 361} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 430 and name HA )) ASSI { 363} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 431 and name H )) 4.000 2.000 2.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.12182E-02 ppm1 0.969 ppm2 7.750 CV 1 OR { 363} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 430 and name H )) OR { 363} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 433 and name HE22)) ASSI { 368} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 426 and name H )) 4.600 2.600 1.400 peak 368 spectrum 1 weight 0.10000E+01 volume 0.58436E-03 ppm1 0.608 ppm2 8.107 CV 1 OR { 368} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 418 and name H )) OR { 368} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 429 and name H )) ASSI { 370} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 426 and name HG2 )) 4.300 2.300 1.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.78207E-03 ppm1 0.602 ppm2 2.642 CV 1 OR { 370} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 422 and name HB2 )) ASSI { 374} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 437 and name HB )) 4.100 2.100 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.81113E-03 ppm1 0.947 ppm2 4.129 CV 1 OR { 374} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 438 and name HA )) ASSI { 375} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 439 and name HA )) 2.900 1.100 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.40237E-02 ppm1 0.743 ppm2 3.906 CV 1 OR { 375} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 436 and name HA )) ASSI { 376} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 398 and name HA )) 2.500 2.500 3.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.82276E-03 ppm1 0.746 ppm2 3.759 CV 1 OR { 376} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 440 and name HA )) OR { 376} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 399 and name HA )) ASSI { 379} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 416 and name HG )) 2.300 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.59483E-02 ppm1 0.604 ppm2 1.637 CV 1 OR { 379} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 416 and name HB3 )) OR { 379} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HB3 )) ASSI { 380} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 416 and name HB2 )) 3.100 1.200 1.200 peak 380 spectrum 1 weight 0.10000E+01 volume 0.19595E-02 ppm1 0.603 ppm2 1.411 CV 1 OR { 380} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HD3 )) OR { 380} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HG3 )) OR { 380} ( segid " " and resid 416 and name HD2%) (( segid " " and resid 425 and name HD2 )) ASSI { 383} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 428 and name HB2 )) 2.700 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.61432E-02 ppm1 0.648 ppm2 1.865 CV 1 OR { 383} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 428 and name HB3 )) OR { 383} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 408 and name HB2 )) ASSI { 384} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 406 and name HG2 )) 2.700 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.41895E-02 ppm1 0.953 ppm2 2.092 CV 1 OR { 384} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 405 and name HB3 )) ASSI { 388} ( segid " " and resid 436 and name HD1%) ( segid " " and resid 402 and name HG2%) 2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.91929E-02 ppm1 0.949 ppm2 0.758 CV 1 OR { 388} ( segid " " and resid 436 and name HD1%) ( segid " " and resid 439 and name HD2%) ASSI { 389} (( segid " " and resid 425 and name HG2 )) ( segid " " and resid 420 and name HG2%) 3.000 3.000 3.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.17909E-02 ppm1 1.194 ppm2 0.786 CV 1 OR { 389} (( segid " " and resid 425 and name HG2 )) ( segid " " and resid 412 and name HD1%) ASSI { 390} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 425 and name HB2 )) 2.900 1.000 1.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 1.193 ppm2 1.753 CV 1 OR { 390} (( segid " " and resid 425 and name HG2 )) (( segid " " and resid 421 and name HB3 )) ASSI { 392} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 428 and name HG2 )) 1.300 0.200 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.36487E-01 ppm1 1.486 ppm2 1.684 CV 1 OR { 392} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 441 and name HG2 )) OR { 392} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HG2 )) ASSI { 394} (( segid " " and resid 408 and name HG )) ( segid " " and resid 408 and name HD1%) 2.000 0.500 0.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.15964E-01 ppm1 1.625 ppm2 0.846 CV 1 OR { 394} (( segid " " and resid 423 and name HG )) ( segid " " and resid 423 and name HD2%) OR { 394} (( segid " " and resid 416 and name HG )) ( segid " " and resid 416 and name HD1%) OR { 394} (( segid " " and resid 423 and name HG )) ( segid " " and resid 423 and name HD1%) OR { 394} (( segid " " and resid 408 and name HG )) ( segid " " and resid 408 and name HD2%) ASSI { 395} (( segid " " and resid 416 and name HG )) (( segid " " and resid 412 and name HB2 )) 3.400 1.400 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.44017E-02 ppm1 1.697 ppm2 0.967 CV 1 OR { 395} (( segid " " and resid 408 and name HG )) ( segid " " and resid 432 and name HG1%) OR { 395} (( segid " " and resid 408 and name HG )) ( segid " " and resid 432 and name HG2%) OR { 395} (( segid " " and resid 428 and name HG2 )) ( segid " " and resid 432 and name HG1%) OR { 395} (( segid " " and resid 428 and name HG2 )) ( segid " " and resid 432 and name HG2%) OR { 395} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 412 and name HB2 )) ASSI { 396} (( segid " " and resid 416 and name HG )) ( segid " " and resid 416 and name HD2%) 2.400 0.700 0.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.56517E-02 ppm1 1.698 ppm2 0.644 CV 1 OR { 396} (( segid " " and resid 412 and name HG )) ( segid " " and resid 412 and name HD2%) ASSI { 397} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 428 and name HB3 )) 1.800 0.400 0.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.38182E-01 ppm1 1.688 ppm2 1.865 CV 1 OR { 397} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HB3 )) OR { 397} (( segid " " and resid 408 and name HG )) (( segid " " and resid 408 and name HB2 )) OR { 397} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HB3 )) OR { 397} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 428 and name HB2 )) OR { 397} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HB2 )) OR { 397} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 441 and name HB3 )) ASSI { 399} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 406 and name HB2 )) 4.300 2.300 1.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.10466E-02 ppm1 1.687 ppm2 2.211 CV 1 OR { 399} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 431 and name HB3 )) OR { 399} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 431 and name HG2 )) OR { 399} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 445 and name HG2 )) OR { 399} (( segid " " and resid 416 and name HG )) (( segid " " and resid 417 and name HB2 )) OR { 399} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 445 and name HG3 )) ASSI { 400} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 406 and name HB2 )) 4.100 2.100 1.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 1.694 ppm2 2.089 CV 1 OR { 400} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 431 and name HB2 )) OR { 400} (( segid " " and resid 408 and name HG )) (( segid " " and resid 405 and name HB3 )) OR { 400} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 445 and name HB3 )) OR { 400} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 445 and name HG2 )) OR { 400} (( segid " " and resid 416 and name HG )) (( segid " " and resid 417 and name HB2 )) OR { 400} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 406 and name HG2 )) OR { 400} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 431 and name HG3 )) OR { 400} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 445 and name HB3 )) ASSI { 401} (( segid " " and resid 408 and name HG )) ( segid " " and resid 408 and name HD1%) 2.300 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.68613E-02 ppm1 1.688 ppm2 0.795 CV 1 OR { 401} (( segid " " and resid 412 and name HG )) ( segid " " and resid 412 and name HD1%) ASSI { 402} (( segid " " and resid 416 and name HG )) ( segid " " and resid 416 and name HD2%) 2.500 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.45791E-02 ppm1 1.636 ppm2 0.634 CV 1 OR { 402} (( segid " " and resid 399 and name HG2 )) ( segid " " and resid 402 and name HD1%) ASSI { 403} (( segid " " and resid 412 and name HG )) (( segid " " and resid 412 and name HB2 )) 2.600 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.28667E-02 ppm1 1.644 ppm2 0.978 CV 1 OR { 403} (( segid " " and resid 408 and name HG )) ( segid " " and resid 432 and name HG1%) OR { 403} (( segid " " and resid 412 and name HG )) ( segid " " and resid 432 and name HG2%) OR { 403} (( segid " " and resid 408 and name HG )) ( segid " " and resid 432 and name HG2%) OR { 403} (( segid " " and resid 399 and name HG2 )) (( segid " " and resid 398 and name HG12)) ASSI { 404} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 441 and name HD3 )) 1.900 0.400 0.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.20293E-01 ppm1 1.687 ppm2 3.102 CV 1 OR { 404} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HD3 )) OR { 404} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HD3 )) OR { 404} (( segid " " and resid 444 and name HG3 )) (( segid " " and resid 444 and name HD2 )) OR { 404} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 403 and name HD2 )) ASSI { 405} (( segid " " and resid 412 and name HG )) (( segid " " and resid 411 and name HB3 )) 3.500 1.500 1.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 1.695 ppm2 3.787 CV 1 OR { 405} (( segid " " and resid 408 and name HG )) (( segid " " and resid 406 and name HA )) OR { 405} (( segid " " and resid 408 and name HG )) (( segid " " and resid 411 and name HB2 )) OR { 405} (( segid " " and resid 416 and name HG )) (( segid " " and resid 426 and name HA )) OR { 405} (( segid " " and resid 408 and name HG )) (( segid " " and resid 411 and name HB3 )) OR { 405} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 440 and name HA )) ASSI { 409} (( segid " " and resid 416 and name HG )) (( segid " " and resid 416 and name H )) 3.100 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.39744E-02 ppm1 1.689 ppm2 7.788 CV 1 OR { 409} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 428 and name H )) OR { 409} (( segid " " and resid 403 and name HG2 )) (( segid " " and resid 404 and name H )) OR { 409} (( segid " " and resid 408 and name HG )) (( segid " " and resid 407 and name H )) OR { 409} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 442 and name H )) ASSI { 410} (( segid " " and resid 408 and name HG )) (( segid " " and resid 408 and name H )) 2.500 0.800 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.42186E-02 ppm1 1.687 ppm2 7.682 CV 1 OR { 410} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 441 and name H )) ASSI { 411} (( segid " " and resid 428 and name HG2 )) (( segid " " and resid 429 and name H )) 4.400 2.400 1.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.88382E-03 ppm1 1.695 ppm2 8.111 CV 1 OR { 411} (( segid " " and resid 412 and name HG )) (( segid " " and resid 429 and name H )) OR { 411} (( segid " " and resid 416 and name HG )) (( segid " " and resid 418 and name H )) OR { 411} (( segid " " and resid 412 and name HG )) (( segid " " and resid 410 and name H )) OR { 411} (( segid " " and resid 408 and name HG )) (( segid " " and resid 410 and name H )) OR { 411} (( segid " " and resid 441 and name HG2 )) (( segid " " and resid 440 and name H )) ASSI { 414} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 439 and name H )) 4.200 2.300 1.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.75299E-03 ppm1 0.949 ppm2 8.658 CV 1 OR { 414} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 402 and name H )) ASSI { 415} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 433 and name HE22)) 4.100 2.100 1.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.81404E-03 ppm1 0.951 ppm2 7.799 CV 1 OR { 415} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 438 and name H )) ASSI { 416} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 401 and name H )) 2.500 2.500 3.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.85184E-03 ppm1 0.744 ppm2 7.777 CV 1 OR { 416} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 404 and name H )) OR { 416} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 438 and name H )) ASSI { 421} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 403 and name H )) 3.000 3.000 3.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.37504E-03 ppm1 0.956 ppm2 7.585 CV 1 OR { 421} ( segid " " and resid 436 and name HD1%) (( segid " " and resid 446 and name H )) ASSI { 422} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 427 and name HA )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.44220E-02 ppm1 2.012 ppm2 3.920 CV 1 OR { 422} (( segid " " and resid 400 and name HB2 )) (( segid " " and resid 397 and name HA2 )) OR { 422} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 427 and name HA )) OR { 422} (( segid " " and resid 417 and name HB3 )) (( segid " " and resid 414 and name HA )) OR { 422} (( segid " " and resid 400 and name HB3 )) (( segid " " and resid 397 and name HA2 )) ASSI { 426} (( segid " " and resid 417 and name HG3 )) (( segid " " and resid 414 and name HA )) 3.700 1.700 1.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 2.462 ppm2 3.939 CV 1 OR { 426} (( segid " " and resid 417 and name HG3 )) (( segid " " and resid 77 and name HA )) ASSI { 434} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 416 and name HA )) 2.500 2.500 3.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.75880E-03 ppm1 0.745 ppm2 4.218 CV 1 OR { 434} ( segid " " and resid 420 and name HD1%) (( segid " " and resid 421 and name HA )) ASSI { 442} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 435 and name HB )) 2.100 0.500 0.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.11199E-01 ppm1 0.809 ppm2 1.963 CV 1 OR { 442} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 405 and name HB2 )) ASSI { 443} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 401 and name HG2 )) 3.900 1.900 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.19712E-02 ppm1 0.808 ppm2 2.219 CV 1 OR { 443} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 431 and name HB3 )) OR { 443} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 401 and name HG3 )) ASSI { 451} (( segid " " and resid 421 and name HB2 )) (( segid " " and resid 420 and name HA )) 4.100 2.100 1.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.11106E-02 ppm1 1.649 ppm2 3.947 CV 1 OR { 451} (( segid " " and resid 421 and name HB2 )) (( segid " " and resid 425 and name HA )) ASSI { 454} (( segid " " and resid 421 and name HD2 )) (( segid " " and resid 422 and name H )) 3.300 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.50588E-03 ppm1 1.571 ppm2 8.663 CV 1 OR { 454} (( segid " " and resid 399 and name HD2 )) (( segid " " and resid 402 and name H )) ASSI { 455} (( segid " " and resid 421 and name HE2 )) ( segid " " and resid 420 and name HG2%) 1.900 1.900 4.100 peak 455 spectrum 1 weight 0.10000E+01 volume 0.38318E-02 ppm1 2.894 ppm2 0.800 CV 1 OR { 455} (( segid " " and resid 421 and name HE3 )) ( segid " " and resid 420 and name HG2%) OR { 455} (( segid " " and resid 421 and name HE3 )) ( segid " " and resid 423 and name HD2%) OR { 455} (( segid " " and resid 421 and name HE2 )) ( segid " " and resid 420 and name HD1%) OR { 455} (( segid " " and resid 421 and name HE3 )) ( segid " " and resid 420 and name HD1%) OR { 455} (( segid " " and resid 421 and name HE3 )) ( segid " " and resid 423 and name HD1%) OR { 455} (( segid " " and resid 421 and name HE2 )) ( segid " " and resid 423 and name HD1%) ASSI { 468} (( segid " " and resid 422 and name HA )) ( segid " " and resid 423 and name HD2%) 4.000 2.000 2.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 4.555 ppm2 0.812 CV 1 OR { 468} (( segid " " and resid 422 and name HA )) ( segid " " and resid 423 and name HD1%) OR { 468} (( segid " " and resid 422 and name HA )) ( segid " " and resid 416 and name HD1%) ASSI { 469} (( segid " " and resid 422 and name HA )) (( segid " " and resid 423 and name HB2 )) 3.800 1.800 1.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.22677E-02 ppm1 4.554 ppm2 1.578 CV 1 OR { 469} (( segid " " and resid 422 and name HA )) (( segid " " and resid 423 and name HB3 )) OR { 469} (( segid " " and resid 422 and name HA )) (( segid " " and resid 423 and name HG )) OR { 469} (( segid " " and resid 422 and name HA )) (( segid " " and resid 425 and name HB3 )) ASSI { 470} (( segid " " and resid 422 and name HA )) (( segid " " and resid 423 and name H )) 2.900 1.100 1.100 peak 470 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 4.559 ppm2 8.666 CV 1 OR { 470} (( segid " " and resid 422 and name HA )) (( segid " " and resid 422 and name H )) ASSI { 471} (( segid " " and resid 422 and name HB2 )) ( segid " " and resid 420 and name HG2%) 3.800 1.800 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.84602E-03 ppm1 2.681 ppm2 0.825 CV 1 OR { 471} (( segid " " and resid 422 and name HB2 )) ( segid " " and resid 416 and name HD1%) OR { 471} (( segid " " and resid 422 and name HB2 )) ( segid " " and resid 423 and name HD2%) OR { 471} (( segid " " and resid 422 and name HB2 )) ( segid " " and resid 423 and name HD1%) ASSI { 472} (( segid " " and resid 422 and name HB3 )) ( segid " " and resid 416 and name HD1%) 4.300 2.300 1.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.75880E-03 ppm1 2.313 ppm2 0.820 CV 1 OR { 472} (( segid " " and resid 422 and name HB3 )) ( segid " " and resid 423 and name HD2%) OR { 472} (( segid " " and resid 422 and name HB3 )) ( segid " " and resid 423 and name HD1%) ASSI { 475} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HB3 )) 2.100 0.500 0.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.11990E-01 ppm1 3.935 ppm2 1.863 CV 1 OR { 475} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HB2 )) OR { 475} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HB3 )) ASSI { 476} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HD3 )) 4.000 2.000 2.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.19799E-02 ppm1 3.936 ppm2 3.090 CV 1 OR { 476} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HD2 )) OR { 476} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HD3 )) OR { 476} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name HD2 )) OR { 476} (( segid " " and resid 427 and name HA )) (( segid " " and resid 430 and name HB3 )) ASSI { 477} (( segid " " and resid 414 and name HA )) (( segid " " and resid 414 and name H )) 2.600 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.39714E-02 ppm1 3.935 ppm2 7.696 CV 1 OR { 477} (( segid " " and resid 427 and name HA )) (( segid " " and resid 430 and name HD1 )) OR { 477} (( segid " " and resid 414 and name HA )) (( segid " " and resid 417 and name H )) OR { 477} (( segid " " and resid 427 and name HA )) (( segid " " and resid 430 and name H )) ASSI { 478} (( segid " " and resid 423 and name HA )) (( segid " " and resid 424 and name H )) 3.400 1.400 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 3.925 ppm2 8.156 CV 1 OR { 478} (( segid " " and resid 423 and name HA )) (( segid " " and resid 426 and name H )) OR { 478} (( segid " " and resid 433 and name HA )) (( segid " " and resid 435 and name H )) ASSI { 482} (( segid " " and resid 429 and name HB3 )) (( segid " " and resid 426 and name HA )) 3.100 1.200 1.200 peak 482 spectrum 1 weight 0.10000E+01 volume 0.11019E-02 ppm1 1.532 ppm2 3.737 CV 1 OR { 482} (( segid " " and resid 429 and name HB3 )) (( segid " " and resid 429 and name HA )) ASSI { 485} ( segid " " and resid 423 and name HD2%) (( segid " " and resid 427 and name HG2 )) 2.300 2.300 3.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.12472E-02 ppm1 0.795 ppm2 2.218 CV 1 OR { 485} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 427 and name HG2 )) OR { 485} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 426 and name HB3 )) ASSI { 486} ( segid " " and resid 423 and name HD2%) (( segid " " and resid 427 and name HG3 )) 2.300 2.300 3.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.13315E-02 ppm1 0.797 ppm2 2.102 CV 1 OR { 486} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 427 and name HG3 )) OR { 486} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 426 and name HG3 )) ASSI { 487} ( segid " " and resid 423 and name HD2%) (( segid " " and resid 427 and name HB3 )) 2.600 2.600 3.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.67158E-03 ppm1 0.792 ppm2 1.991 CV 1 OR { 487} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 427 and name HB3 )) OR { 487} ( segid " " and resid 423 and name HD2%) (( segid " " and resid 427 and name HB2 )) OR { 487} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 427 and name HB2 )) OR { 487} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 84 and name HB2 )) OR { 487} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 84 and name HB3 )) ASSI { 488} ( segid " " and resid 423 and name HD2%) (( segid " " and resid 426 and name HB2 )) 2.400 2.400 3.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 0.795 ppm2 1.866 CV 1 OR { 488} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 426 and name HB2 )) OR { 488} ( segid " " and resid 423 and name HD1%) (( segid " " and resid 84 and name HG2 )) ASSI { 489} (( segid " " and resid 424 and name HA )) (( segid " " and resid 425 and name H )) 3.700 1.700 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.74718E-03 ppm1 4.173 ppm2 7.739 CV 1 OR { 489} (( segid " " and resid 424 and name HA )) (( segid " " and resid 428 and name H )) ASSI { 490} (( segid " " and resid 424 and name HB3 )) ( segid " " and resid 412 and name HD1%) 3.400 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 3.862 ppm2 0.819 CV 1 OR { 490} (( segid " " and resid 424 and name HB2 )) ( segid " " and resid 412 and name HD1%) OR { 490} (( segid " " and resid 424 and name HB3 )) ( segid " " and resid 416 and name HD1%) OR { 490} (( segid " " and resid 424 and name HB2 )) ( segid " " and resid 416 and name HD1%) ASSI { 492} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 425 and name HB2 )) 4.300 2.300 1.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.83731E-03 ppm1 3.860 ppm2 1.715 CV 1 OR { 492} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 428 and name HG2 )) OR { 492} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 425 and name HB2 )) OR { 492} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 428 and name HG2 )) ASSI { 493} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 423 and name HB3 )) 3.600 1.600 1.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 3.860 ppm2 1.569 CV 1 OR { 493} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 423 and name HB3 )) OR { 493} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 425 and name HB3 )) OR { 493} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 425 and name HB3 )) ASSI { 496} (( segid " " and resid 411 and name HB2 )) (( segid " " and resid 412 and name HG )) 3.700 1.700 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13839E-02 ppm1 3.801 ppm2 1.698 CV 1 OR { 496} (( segid " " and resid 411 and name HB2 )) (( segid " " and resid 408 and name HB3 )) OR { 496} (( segid " " and resid 411 and name HB3 )) (( segid " " and resid 412 and name HG )) OR { 496} (( segid " " and resid 411 and name HB3 )) (( segid " " and resid 408 and name HB3 )) OR { 496} (( segid " " and resid 411 and name HB2 )) (( segid " " and resid 414 and name HG2 )) ASSI { 497} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 428 and name HB3 )) 3.900 1.900 1.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.87511E-03 ppm1 3.861 ppm2 1.922 CV 1 OR { 497} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 428 and name HB3 )) OR { 497} (( segid " " and resid 424 and name HB3 )) (( segid " " and resid 428 and name HB2 )) OR { 497} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 428 and name HB2 )) OR { 497} (( segid " " and resid 424 and name HB2 )) (( segid " " and resid 426 and name HB2 )) ASSI { 498} (( segid " " and resid 394 and name HA )) (( segid " " and resid 393 and name HB2 )) 4.800 2.800 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.59891E-03 ppm1 4.261 ppm2 1.987 CV 1 OR { 498} (( segid " " and resid 394 and name HA )) (( segid " " and resid 395 and name HB2 )) OR { 498} (( segid " " and resid 394 and name HA )) (( segid " " and resid 395 and name HB3 )) ASSI { 502} (( segid " " and resid 411 and name HB2 )) (( segid " " and resid 415 and name H )) 3.800 1.800 1.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.13519E-02 ppm1 3.801 ppm2 7.807 CV 1 OR { 502} (( segid " " and resid 411 and name HB3 )) (( segid " " and resid 415 and name H )) OR { 502} (( segid " " and resid 411 and name HB3 )) (( segid " " and resid 416 and name H )) ASSI { 505} (( segid " " and resid 434 and name HA )) (( segid " " and resid 435 and name H )) 3.500 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.11106E-02 ppm1 3.926 ppm2 8.118 CV 1 OR { 505} (( segid " " and resid 425 and name HA )) (( segid " " and resid 426 and name H )) OR { 505} (( segid " " and resid 425 and name HA )) (( segid " " and resid 424 and name H )) OR { 505} (( segid " " and resid 441 and name HA )) (( segid " " and resid 440 and name H )) ASSI { 508} (( segid " " and resid 440 and name HA )) ( segid " " and resid 402 and name HD1%) 2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.45818E-02 ppm1 3.748 ppm2 0.704 CV 1 OR { 508} (( segid " " and resid 440 and name HA )) ( segid " " and resid 402 and name HG2%) OR { 508} (( segid " " and resid 440 and name HA )) (( segid " " and resid 402 and name HG13)) OR { 508} (( segid " " and resid 440 and name HA )) ( segid " " and resid 443 and name HD2%) ASSI { 509} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HG3 )) 3.100 1.200 1.200 peak 509 spectrum 1 weight 0.10000E+01 volume 0.29714E-02 ppm1 3.748 ppm2 1.352 CV 1 OR { 509} (( segid " " and resid 426 and name HA )) (( segid " " and resid 429 and name HG )) ASSI { 510} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB2 )) 2.400 0.700 0.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.64077E-02 ppm1 3.746 ppm2 1.636 CV 1 OR { 510} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name HB3 )) OR { 510} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HG2 )) OR { 510} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HD2 )) OR { 510} (( segid " " and resid 440 and name HA )) (( segid " " and resid 440 and name HD3 )) ASSI { 511} (( segid " " and resid 440 and name HA )) (( segid " " and resid 402 and name HG12)) 2.700 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.51023E-02 ppm1 3.751 ppm2 1.791 CV 1 OR { 511} (( segid " " and resid 440 and name HA )) (( segid " " and resid 441 and name HB2 )) OR { 511} (( segid " " and resid 440 and name HA )) (( segid " " and resid 441 and name HB3 )) OR { 511} (( segid " " and resid 440 and name HA )) (( segid " " and resid 444 and name HB2 )) ASSI { 518} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 439 and name HA )) 2.200 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.50179E-02 ppm1 1.950 ppm2 3.984 CV 1 OR { 518} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 442 and name HA )) ASSI { 519} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name HA )) 2.500 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.47419E-02 ppm1 1.882 ppm2 3.982 CV 1 OR { 519} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 439 and name HA )) OR { 519} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 443 and name HA )) ASSI { 522} (( segid " " and resid 440 and name HA )) (( segid " " and resid 443 and name H )) 3.400 1.400 1.400 peak 522 spectrum 1 weight 0.10000E+01 volume 0.90126E-03 ppm1 3.745 ppm2 7.840 CV 1 OR { 522} (( segid " " and resid 440 and name HA )) (( segid " " and resid 442 and name H )) ASSI { 523} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 393 and name HA )) 2.800 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.60588E-02 ppm1 2.015 ppm2 4.286 CV 1 OR { 523} (( segid " " and resid 393 and name HB2 )) (( segid " " and resid 392 and name HA )) ASSI { 524} (( segid " " and resid 393 and name HB3 )) (( segid " " and resid 393 and name HA )) 2.600 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.60152E-02 ppm1 1.906 ppm2 4.289 CV 1 OR { 524} (( segid " " and resid 393 and name HB3 )) (( segid " " and resid 394 and name HA )) ASSI { 528} (( segid " " and resid 431 and name HG3 )) (( segid " " and resid 435 and name HG13)) 4.400 2.400 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.86927E-03 ppm1 2.068 ppm2 0.973 CV 1 OR { 528} (( segid " " and resid 431 and name HG3 )) ( segid " " and resid 432 and name HG1%) OR { 528} (( segid " " and resid 431 and name HG3 )) ( segid " " and resid 432 and name HG2%) ASSI { 530} (( segid " " and resid 412 and name HA )) (( segid " " and resid 415 and name HB3 )) 4.300 2.300 1.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.84893E-03 ppm1 3.927 ppm2 2.841 CV 1 OR { 530} (( segid " " and resid 439 and name HA )) (( segid " " and resid 442 and name HE3 )) OR { 530} (( segid " " and resid 439 and name HA )) (( segid " " and resid 442 and name HE2 )) ASSI { 531} (( segid " " and resid 428 and name HB2 )) ( segid " " and resid 412 and name HD2%) 3.200 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.22474E-02 ppm1 1.901 ppm2 0.663 CV 1 OR { 531} (( segid " " and resid 428 and name HB3 )) ( segid " " and resid 412 and name HD2%) OR { 531} (( segid " " and resid 426 and name HB2 )) ( segid " " and resid 416 and name HD2%) OR { 531} (( segid " " and resid 441 and name HB3 )) ( segid " " and resid 398 and name HD1%) OR { 531} (( segid " " and resid 406 and name HB3 )) ( segid " " and resid 402 and name HD1%) ASSI { 532} (( segid " " and resid 393 and name HB3 )) ( segid " " and resid 394 and name HG2%) 4.800 2.900 1.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.87511E-03 ppm1 1.903 ppm2 1.171 CV 1 OR { 532} (( segid " " and resid 393 and name HB3 )) ( segid " " and resid 446 and name HB% ) ASSI { 535} (( segid " " and resid 434 and name HB3 )) (( segid " " and resid 435 and name H )) 3.700 1.700 1.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.14740E-02 ppm1 1.857 ppm2 8.118 CV 1 OR { 535} (( segid " " and resid 441 and name HB3 )) (( segid " " and resid 440 and name H )) OR { 535} (( segid " " and resid 433 and name HB2 )) (( segid " " and resid 435 and name H )) OR { 535} (( segid " " and resid 393 and name HB3 )) (( segid " " and resid 396 and name H )) ASSI { 536} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HG2 )) 1.900 0.500 0.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.19764E-01 ppm1 3.098 ppm2 1.478 CV 1 OR { 536} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HG3 )) OR { 536} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HG3 )) OR { 536} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HG2 )) OR { 536} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HG3 )) OR { 536} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HG2 )) OR { 536} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HG2 )) OR { 536} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HG3 )) OR { 536} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 441 and name HG3 )) ASSI { 537} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 431 and name HB2 )) 3.900 1.900 1.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.54367E-03 ppm1 3.014 ppm2 2.060 CV 1 OR { 537} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 431 and name HG3 )) OR { 537} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 427 and name HB2 )) ASSI { 539} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 425 and name HA )) 4.100 2.100 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.10379E-02 ppm1 3.034 ppm2 3.921 CV 1 OR { 539} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 427 and name HA )) ASSI { 540} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 425 and name HA )) 4.400 2.400 1.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.78207E-03 ppm1 3.201 ppm2 3.930 CV 1 OR { 540} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 427 and name HA )) ASSI { 541} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 442 and name HA )) 2.900 1.000 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.63816E-02 ppm1 3.095 ppm2 3.943 CV 1 OR { 541} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 441 and name HA )) OR { 541} (( segid " " and resid 441 and name HD2 )) (( segid " " and resid 441 and name HA )) OR { 541} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HA )) OR { 541} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HA )) OR { 541} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HA )) OR { 541} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HA )) OR { 541} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HA )) OR { 541} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HA )) ASSI { 542} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 428 and name H )) 4.300 2.300 1.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 3.032 ppm2 7.769 CV 1 OR { 542} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 431 and name H )) ASSI { 543} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 405 and name HE21)) 3.900 1.900 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.12298E-02 ppm1 3.095 ppm2 7.277 CV 1 OR { 543} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name H )) OR { 543} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name H )) ASSI { 545} (( segid " " and resid 428 and name HG3 )) ( segid " " and resid 412 and name HD1%) 3.100 1.200 1.200 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19217E-02 ppm1 1.501 ppm2 0.732 CV 1 OR { 545} (( segid " " and resid 403 and name HG3 )) ( segid " " and resid 402 and name HG2%) OR { 545} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 402 and name HG13)) ASSI { 546} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 403 and name HA )) 3.100 1.200 1.200 peak 546 spectrum 1 weight 0.10000E+01 volume 0.52885E-02 ppm1 1.486 ppm2 3.962 CV 1 OR { 546} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 441 and name HA )) ASSI { 548} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 430 and name H )) 2.600 2.600 3.400 peak 548 spectrum 1 weight 0.10000E+01 volume 0.61925E-03 ppm1 0.080 ppm2 7.757 CV 1 OR { 548} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 431 and name H )) OR { 548} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 428 and name H )) OR { 548} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 416 and name H )) ASSI { 549} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 425 and name HA )) 2.800 1.000 1.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.40122E-03 ppm1 0.227 ppm2 3.955 CV 1 OR { 549} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 549} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 412 and name HA )) OR { 549} ( segid " " and resid 429 and name HD1%) (( segid " " and resid 430 and name HA )) ASSI { 550} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 412 and name HA )) 2.600 2.600 3.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.62797E-03 ppm1 0.076 ppm2 3.956 CV 1 OR { 550} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 425 and name HA )) OR { 550} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 430 and name HA )) OR { 550} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 433 and name HA )) ASSI { 552} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 433 and name HG2 )) 2.800 2.800 3.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.44481E-03 ppm1 0.074 ppm2 2.243 CV 1 OR { 552} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 431 and name HB3 )) OR { 552} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 433 and name HG3 )) OR { 552} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 431 and name HG2 )) OR { 552} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 422 and name HB3 )) ASSI { 555} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 432 and name HB )) 2.300 2.300 3.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.15351E-02 ppm1 0.073 ppm2 1.857 CV 1 OR { 555} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 409 and name HB3 )) OR { 555} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 433 and name HB2 )) OR { 555} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 428 and name HB3 )) ASSI { 558} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 409 and name HD1%) 2.500 0.800 0.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.42737E-02 ppm1 0.074 ppm2 0.779 CV 1 OR { 558} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 412 and name HD1%) ASSI { 559} ( segid " " and resid 429 and name HD2%) ( segid " " and resid 416 and name HD2%) 1.700 1.700 4.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.98761E-02 ppm1 0.074 ppm2 0.575 CV 1 OR { 559} ( segid " " and resid 429 and name HD2%) (( segid " " and resid 78 and name HG12)) ASSI { 562} (( segid " " and resid 429 and name HG )) (( segid " " and resid 429 and name HA )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.16833E-02 ppm1 1.379 ppm2 3.729 CV 1 OR { 562} (( segid " " and resid 429 and name HG )) (( segid " " and resid 426 and name HA )) ASSI { 563} (( segid " " and resid 429 and name HG )) ( segid " " and resid 412 and name HD2%) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.97976E-03 ppm1 1.398 ppm2 0.612 CV 1 OR { 563} (( segid " " and resid 429 and name HG )) ( segid " " and resid 416 and name HD2%) ASSI { 564} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 427 and name HA )) 3.800 1.800 1.800 peak 564 spectrum 1 weight 0.10000E+01 volume 0.49716E-03 ppm1 7.658 ppm2 3.934 CV 1 OR { 564} (( segid " " and resid 430 and name HD1 )) (( segid " " and resid 430 and name HA )) ASSI { 568} (( segid " " and resid 430 and name HZ2 )) (( segid " " and resid 89 and name HZ )) 2.700 2.700 3.300 peak 568 spectrum 1 weight 0.10000E+01 volume 0.55530E-03 ppm1 7.104 ppm2 7.343 CV 1 OR { 568} (( segid " " and resid 430 and name HZ2 )) ( segid " " and resid 83 and name HE% ) ASSI { 572} (( segid " " and resid 395 and name HA )) (( segid " " and resid 395 and name HG2 )) 2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.18607E-02 ppm1 3.924 ppm2 2.360 CV 1 OR { 572} (( segid " " and resid 414 and name HA )) (( segid " " and resid 417 and name HG2 )) ASSI { 573} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HG2 )) 2.900 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.43291E-02 ppm1 3.928 ppm2 1.452 CV 1 OR { 573} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name HG2 )) OR { 573} (( segid " " and resid 434 and name HA )) (( segid " " and resid 434 and name HG3 )) OR { 573} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HD3 )) OR { 573} (( segid " " and resid 441 and name HA )) (( segid " " and resid 441 and name HG3 )) OR { 573} (( segid " " and resid 425 and name HA )) (( segid " " and resid 425 and name HG3 )) ASSI { 578} (( segid " " and resid 432 and name HB )) ( segid " " and resid 409 and name HD1%) 3.600 1.700 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 1.897 ppm2 0.783 CV 1 OR { 578} (( segid " " and resid 432 and name HB )) ( segid " " and resid 435 and name HD1%) OR { 578} (( segid " " and resid 432 and name HB )) ( segid " " and resid 409 and name HD2%) ASSI { 579} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 432 and name HB )) 2.400 0.700 0.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.63350E-02 ppm1 0.972 ppm2 1.886 CV 1 OR { 579} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 409 and name HB3 )) ASSI { 580} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 435 and name HB )) 3.400 1.400 1.400 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29160E-02 ppm1 0.978 ppm2 2.026 CV 1 OR { 580} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 431 and name HB2 )) OR { 580} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 433 and name HB3 )) OR { 580} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 405 and name HG2 )) ASSI { 581} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 405 and name HB3 )) 3.200 1.300 1.300 peak 581 spectrum 1 weight 0.10000E+01 volume 0.13635E-02 ppm1 0.975 ppm2 2.180 CV 1 OR { 581} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 431 and name HB3 )) ASSI { 583} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 433 and name HA )) 3.500 1.500 1.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.95940E-03 ppm1 0.972 ppm2 3.975 CV 1 OR { 583} ( segid " " and resid 432 and name HG1%) (( segid " " and resid 436 and name HA )) ASSI { 584} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 431 and name H )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.94196E-03 ppm1 0.997 ppm2 7.702 CV 1 OR { 584} ( segid " " and resid 432 and name HG2%) (( segid " " and resid 430 and name H )) ASSI { 585} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name H )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.19392E-02 ppm1 3.933 ppm2 7.774 CV 1 OR { 585} (( segid " " and resid 439 and name HA )) (( segid " " and resid 442 and name H )) OR { 585} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HE22)) OR { 585} (( segid " " and resid 412 and name HA )) (( segid " " and resid 415 and name H )) OR { 585} (( segid " " and resid 423 and name HA )) (( segid " " and resid 425 and name H )) ASSI { 586} (( segid " " and resid 439 and name HA )) (( segid " " and resid 439 and name H )) 3.000 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.15293E-02 ppm1 3.920 ppm2 8.664 CV 1 OR { 586} (( segid " " and resid 423 and name HA )) (( segid " " and resid 423 and name H )) ASSI { 590} (( segid " " and resid 426 and name HB3 )) (( segid " " and resid 426 and name HA )) 2.700 0.900 0.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.23985E-02 ppm1 2.156 ppm2 3.814 CV 1 OR { 590} (( segid " " and resid 406 and name HB2 )) (( segid " " and resid 406 and name HA )) ASSI { 591} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 406 and name HB2 )) 1.700 0.400 0.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.11272E-01 ppm1 1.841 ppm2 2.137 CV 1 OR { 591} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HB3 )) OR { 591} (( segid " " and resid 406 and name HB3 )) (( segid " " and resid 406 and name HG2 )) OR { 591} (( segid " " and resid 393 and name HB3 )) (( segid " " and resid 393 and name HG2 )) OR { 591} (( segid " " and resid 426 and name HB2 )) (( segid " " and resid 426 and name HG3 )) ASSI { 592} (( segid " " and resid 441 and name HD2 )) (( segid " " and resid 442 and name H )) 3.600 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16165E-02 ppm1 3.099 ppm2 7.819 CV 1 OR { 592} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 442 and name H )) OR { 592} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 428 and name H )) OR { 592} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name H )) OR { 592} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name H )) ASSI { 594} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 400 and name HA )) 3.300 1.400 1.400 peak 594 spectrum 1 weight 0.10000E+01 volume 0.25265E-02 ppm1 3.095 ppm2 4.099 CV 1 OR { 594} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 401 and name HA )) OR { 594} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 401 and name HA )) OR { 594} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name HA )) OR { 594} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name HA )) ASSI { 595} (( segid " " and resid 441 and name HD2 )) (( segid " " and resid 441 and name HB3 )) 2.100 0.600 0.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16188E-01 ppm1 3.097 ppm2 1.857 CV 1 OR { 595} (( segid " " and resid 404 and name HD3 )) (( segid " " and resid 404 and name HB3 )) OR { 595} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HB3 )) OR { 595} (( segid " " and resid 404 and name HD2 )) (( segid " " and resid 404 and name HB3 )) OR { 595} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HB3 )) OR { 595} (( segid " " and resid 444 and name HD3 )) (( segid " " and resid 444 and name HB3 )) OR { 595} (( segid " " and resid 441 and name HD3 )) (( segid " " and resid 441 and name HB3 )) OR { 595} (( segid " " and resid 403 and name HD2 )) (( segid " " and resid 403 and name HB2 )) OR { 595} (( segid " " and resid 403 and name HD3 )) (( segid " " and resid 403 and name HB2 )) OR { 595} (( segid " " and resid 434 and name HD3 )) (( segid " " and resid 434 and name HB3 )) OR { 595} (( segid " " and resid 444 and name HD2 )) (( segid " " and resid 444 and name HB3 )) OR { 595} (( segid " " and resid 434 and name HD2 )) (( segid " " and resid 434 and name HB3 )) OR { 595} (( segid " " and resid 428 and name HD3 )) (( segid " " and resid 428 and name HB2 )) ASSI { 597} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 439 and name H )) 2.800 2.800 3.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.41865E-03 ppm1 0.750 ppm2 8.645 CV 1 OR { 597} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 409 and name H )) ASSI { 600} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 431 and name H )) 2.700 2.700 3.300 peak 600 spectrum 1 weight 0.10000E+01 volume 0.52912E-03 ppm1 0.749 ppm2 7.774 CV 1 OR { 600} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 438 and name H )) OR { 600} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 430 and name H )) ASSI { 605} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 434 and name HG3 )) 2.300 2.300 3.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 0.749 ppm2 1.486 CV 1 OR { 605} ( segid " " and resid 435 and name HD1%) ( segid " " and resid 438 and name HB% ) OR { 605} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 434 and name HG2 )) OR { 605} ( segid " " and resid 435 and name HD1%) (( segid " " and resid 428 and name HG3 )) ASSI { 609} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 436 and name HA )) 3.100 1.200 1.200 peak 609 spectrum 1 weight 0.10000E+01 volume 0.28607E-02 ppm1 0.806 ppm2 3.917 CV 1 OR { 609} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 439 and name HA )) ASSI { 610} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 438 and name HA )) 3.900 1.900 1.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 0.807 ppm2 4.127 CV 1 OR { 610} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 401 and name HA )) ASSI { 613} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 438 and name H )) 4.100 2.100 1.900 peak 613 spectrum 1 weight 0.10000E+01 volume 0.77917E-03 ppm1 0.809 ppm2 7.796 CV 1 OR { 613} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 433 and name HE22)) ASSI { 614} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 436 and name H )) 3.500 1.500 1.500 peak 614 spectrum 1 weight 0.10000E+01 volume 0.27357E-02 ppm1 0.809 ppm2 8.462 CV 1 OR { 614} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 405 and name H )) ASSI { 615} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 437 and name H )) 5.300 3.500 0.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.49716E-03 ppm1 0.816 ppm2 8.873 CV 1 OR { 615} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 432 and name H )) OR { 615} ( segid " " and resid 435 and name HG2%) (( segid " " and resid 406 and name H )) ASSI { 616} (( segid " " and resid 436 and name HB3 )) ( segid " " and resid 437 and name HG2%) 3.700 1.700 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.23985E-02 ppm1 1.747 ppm2 0.796 CV 1 OR { 616} (( segid " " and resid 436 and name HB2 )) ( segid " " and resid 435 and name HG2%) OR { 616} (( segid " " and resid 436 and name HB2 )) ( segid " " and resid 437 and name HG2%) OR { 616} (( segid " " and resid 436 and name HB3 )) ( segid " " and resid 435 and name HG2%) ASSI { 618} (( segid " " and resid 439 and name HB2 )) (( segid " " and resid 439 and name HB3 )) 2.300 0.700 0.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.16572E-02 ppm1 1.218 ppm2 1.876 CV 1 OR { 618} (( segid " " and resid 439 and name HB2 )) (( segid " " and resid 402 and name HG12)) OR { 618} (( segid " " and resid 439 and name HB2 )) (( segid " " and resid 439 and name HG )) ASSI { 619} (( segid " " and resid 436 and name HB2 )) (( segid " " and resid 436 and name HA )) 2.600 0.900 0.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.30032E-02 ppm1 1.749 ppm2 3.914 CV 1 OR { 619} (( segid " " and resid 436 and name HB3 )) (( segid " " and resid 436 and name HA )) OR { 619} (( segid " " and resid 436 and name HB2 )) (( segid " " and resid 433 and name HA )) ASSI { 620} (( segid " " and resid 436 and name HB2 )) (( segid " " and resid 435 and name H )) 4.300 2.400 1.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.67449E-03 ppm1 1.750 ppm2 8.142 CV 1 OR { 620} (( segid " " and resid 436 and name HB3 )) (( segid " " and resid 50 and name H )) OR { 620} (( segid " " and resid 436 and name HB3 )) (( segid " " and resid 435 and name H )) ASSI { 622} ( segid " " and resid 436 and name HD2%) ( segid " " and resid 402 and name HG2%) 1.600 1.600 4.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.11344E-01 ppm1 0.905 ppm2 0.735 CV 1 OR { 622} ( segid " " and resid 436 and name HD2%) ( segid " " and resid 439 and name HD2%) OR { 622} ( segid " " and resid 436 and name HD2%) ( segid " " and resid 409 and name HD1%) ASSI { 623} (( segid " " and resid 436 and name HG )) (( segid " " and resid 406 and name HG2 )) 3.900 1.900 1.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 1.521 ppm2 2.105 CV 1 OR { 623} (( segid " " and resid 436 and name HG )) (( segid " " and resid 405 and name HB3 )) ASSI { 625} (( segid " " and resid 437 and name HA )) (( segid " " and resid 438 and name H )) 4.200 2.200 1.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.38667E-03 ppm1 3.678 ppm2 7.785 CV 1 OR { 625} (( segid " " and resid 437 and name HA )) (( segid " " and resid 433 and name HE22)) ASSI { 627} (( segid " " and resid 437 and name HA )) (( segid " " and resid 436 and name HB3 )) 3.600 1.600 1.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.88092E-03 ppm1 3.689 ppm2 1.767 CV 1 OR { 627} (( segid " " and resid 437 and name HA )) (( segid " " and resid 441 and name HB2 )) ASSI { 629} (( segid " " and resid 437 and name HB )) (( segid " " and resid 436 and name HG )) 4.700 2.700 1.300 peak 629 spectrum 1 weight 0.10000E+01 volume 0.65705E-03 ppm1 4.074 ppm2 1.460 CV 1 OR { 629} (( segid " " and resid 437 and name HB )) ( segid " " and resid 438 and name HB% ) OR { 629} (( segid " " and resid 437 and name HB )) (( segid " " and resid 440 and name HG3 )) ASSI { 630} (( segid " " and resid 437 and name HB )) (( segid " " and resid 50 and name H )) 4.000 2.000 2.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.42737E-03 ppm1 4.105 ppm2 8.160 CV 1 OR { 630} (( segid " " and resid 437 and name HB )) (( segid " " and resid 440 and name H )) ASSI { 632} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 435 and name H )) 3.800 1.800 1.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 0.865 ppm2 8.184 CV 1 OR { 632} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 440 and name H )) ASSI { 642} (( segid " " and resid 438 and name HA )) (( segid " " and resid 441 and name HB3 )) 3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 4.078 ppm2 1.849 CV 1 OR { 642} (( segid " " and resid 438 and name HA )) (( segid " " and resid 440 and name HB3 )) OR { 642} (( segid " " and resid 438 and name HA )) (( segid " " and resid 439 and name HB3 )) OR { 642} (( segid " " and resid 438 and name HA )) (( segid " " and resid 440 and name HB2 )) ASSI { 645} (( segid " " and resid 439 and name HB3 )) (( segid " " and resid 439 and name HA )) 3.400 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.66577E-03 ppm1 1.899 ppm2 3.914 CV 1 OR { 645} (( segid " " and resid 439 and name HB3 )) (( segid " " and resid 436 and name HA )) ASSI { 646} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 430 and name HA )) 4.000 2.000 2.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.79370E-03 ppm1 1.979 ppm2 3.913 CV 1 OR { 646} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 427 and name HA )) OR { 646} (( segid " " and resid 429 and name HB2 )) (( segid " " and resid 425 and name HA )) ASSI { 647} ( segid " " and resid 439 and name HD2%) ( segid " " and resid 438 and name HB% ) 2.200 2.200 3.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.18694E-02 ppm1 0.739 ppm2 1.516 CV 1 OR { 647} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 442 and name HG3 )) OR { 647} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 436 and name HG )) OR { 647} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 404 and name HG2 )) OR { 647} ( segid " " and resid 439 and name HD2%) (( segid " " and resid 442 and name HD3 )) ASSI { 649} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 442 and name H )) 3.700 1.700 1.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.15293E-02 ppm1 0.824 ppm2 7.786 CV 1 OR { 649} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 438 and name H )) ASSI { 651} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 398 and name HA )) 3.300 1.400 1.400 peak 651 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 0.824 ppm2 3.741 CV 1 OR { 651} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 440 and name HA )) OR { 651} ( segid " " and resid 439 and name HD1%) (( segid " " and resid 399 and name HA )) ASSI { 652} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 402 and name HG13)) 2.100 0.500 0.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.41400E-02 ppm1 1.867 ppm2 0.690 CV 1 OR { 652} (( segid " " and resid 402 and name HG12)) ( segid " " and resid 402 and name HD1%) OR { 652} (( segid " " and resid 442 and name HB2 )) ( segid " " and resid 398 and name HD1%) OR { 652} (( segid " " and resid 402 and name HG12)) ( segid " " and resid 402 and name HG2%) ASSI { 654} (( segid " " and resid 442 and name HB3 )) ( segid " " and resid 398 and name HG2%) 3.200 1.300 1.300 peak 654 spectrum 1 weight 0.10000E+01 volume 0.32707E-02 ppm1 1.954 ppm2 0.825 CV 1 OR { 654} (( segid " " and resid 442 and name HB3 )) ( segid " " and resid 439 and name HD1%) ASSI { 656} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name HE3 )) 3.200 1.300 1.300 peak 656 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 1.884 ppm2 2.845 CV 1 OR { 656} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name HE2 )) OR { 656} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 442 and name HE3 )) OR { 656} (( segid " " and resid 440 and name HB2 )) (( segid " " and resid 440 and name HE2 )) OR { 656} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 442 and name HE2 )) OR { 656} (( segid " " and resid 440 and name HB3 )) (( segid " " and resid 440 and name HE2 )) OR { 656} (( segid " " and resid 440 and name HB3 )) (( segid " " and resid 440 and name HE3 )) ASSI { 657} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name HE3 )) 4.500 2.500 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.85765E-03 ppm1 1.831 ppm2 2.832 CV 1 OR { 657} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name HE2 )) OR { 657} (( segid " " and resid 399 and name HB2 )) (( segid " " and resid 399 and name HE2 )) OR { 657} (( segid " " and resid 399 and name HB3 )) (( segid " " and resid 399 and name HE3 )) OR { 657} (( segid " " and resid 399 and name HB3 )) (( segid " " and resid 399 and name HE2 )) OR { 657} (( segid " " and resid 440 and name HB3 )) (( segid " " and resid 440 and name HE2 )) OR { 657} (( segid " " and resid 399 and name HB2 )) (( segid " " and resid 399 and name HE3 )) OR { 657} (( segid " " and resid 440 and name HB3 )) (( segid " " and resid 440 and name HE3 )) ASSI { 658} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 442 and name H )) 2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.30731E-02 ppm1 1.883 ppm2 7.797 CV 1 OR { 658} (( segid " " and resid 442 and name HB3 )) (( segid " " and resid 443 and name H )) OR { 658} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 442 and name H )) OR { 658} (( segid " " and resid 442 and name HB2 )) (( segid " " and resid 443 and name H )) OR { 658} (( segid " " and resid 440 and name HB2 )) (( segid " " and resid 442 and name H )) OR { 658} (( segid " " and resid 402 and name HG12)) (( segid " " and resid 401 and name H )) ASSI { 662} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 436 and name HA )) 2.300 2.300 3.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14711E-02 ppm1 1.697 ppm2 3.943 CV 1 OR { 662} (( segid " " and resid 440 and name HD2 )) (( segid " " and resid 441 and name HA )) OR { 662} (( segid " " and resid 440 and name HD2 )) (( segid " " and resid 436 and name HA )) OR { 662} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 441 and name HA )) OR { 662} (( segid " " and resid 440 and name HD2 )) (( segid " " and resid 439 and name HA )) OR { 662} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 439 and name HA )) OR { 662} (( segid " " and resid 440 and name HD3 )) (( segid " " and resid 443 and name HA )) ASSI { 663} (( segid " " and resid 428 and name HD3 )) ( segid " " and resid 412 and name HD1%) 3.900 1.900 1.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 3.029 ppm2 0.801 CV 1 OR { 663} (( segid " " and resid 428 and name HD3 )) ( segid " " and resid 435 and name HD1%) OR { 663} (( segid " " and resid 428 and name HD3 )) ( segid " " and resid 408 and name HD1%) ASSI { 665} (( segid " " and resid 428 and name HD2 )) ( segid " " and resid 412 and name HD1%) 3.500 1.500 1.500 peak 665 spectrum 1 weight 0.10000E+01 volume 0.12908E-02 ppm1 3.203 ppm2 0.796 CV 1 OR { 665} (( segid " " and resid 428 and name HD2 )) ( segid " " and resid 435 and name HD1%) OR { 665} (( segid " " and resid 428 and name HD2 )) ( segid " " and resid 408 and name HD1%) ASSI { 667} (( segid " " and resid 403 and name HG3 )) (( segid " " and resid 404 and name H )) 4.100 2.100 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13751E-02 ppm1 1.487 ppm2 7.832 CV 1 OR { 667} (( segid " " and resid 428 and name HG3 )) (( segid " " and resid 428 and name H )) OR { 667} (( segid " " and resid 441 and name HG3 )) (( segid " " and resid 442 and name H )) ASSI { 668} (( segid " " and resid 433 and name HA )) (( segid " " and resid 433 and name HB2 )) 2.100 0.500 0.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.92102E-02 ppm1 3.992 ppm2 1.889 CV 1 OR { 668} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HB2 )) OR { 668} (( segid " " and resid 442 and name HA )) (( segid " " and resid 445 and name HB2 )) OR { 668} (( segid " " and resid 442 and name HA )) (( segid " " and resid 442 and name HB3 )) ASSI { 669} (( segid " " and resid 442 and name HG2 )) ( segid " " and resid 439 and name HD1%) 3.700 1.700 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.20060E-02 ppm1 1.381 ppm2 0.825 CV 1 OR { 669} (( segid " " and resid 442 and name HG2 )) ( segid " " and resid 398 and name HG2%) ASSI { 672} (( segid " " and resid 442 and name HG3 )) ( segid " " and resid 439 and name HD1%) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.20002E-02 ppm1 1.518 ppm2 0.823 CV 1 OR { 672} (( segid " " and resid 442 and name HG3 )) ( segid " " and resid 398 and name HG2%) ASSI { 674} (( segid " " and resid 442 and name HG2 )) (( segid " " and resid 442 and name HA )) 2.700 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.37707E-02 ppm1 1.383 ppm2 3.987 CV 1 OR { 674} (( segid " " and resid 442 and name HG2 )) (( segid " " and resid 441 and name HA )) ASSI { 675} (( segid " " and resid 443 and name HA )) (( segid " " and resid 446 and name H )) 3.500 1.600 1.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.70357E-03 ppm1 3.993 ppm2 7.530 CV 1 OR { 675} (( segid " " and resid 443 and name HA )) (( segid " " and resid 445 and name H )) ASSI { 676} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 443 and name HB2 )) 2.000 0.500 0.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.27070E-01 ppm1 0.818 ppm2 1.624 CV 1 OR { 676} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 399 and name HG2 )) OR { 676} ( segid " " and resid 443 and name HD1%) (( segid " " and resid 398 and name HG13)) ASSI { 679} (( segid " " and resid 433 and name HG3 )) (( segid " " and resid 436 and name H )) 4.900 3.000 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.43900E-03 ppm1 2.268 ppm2 8.436 CV 1 OR { 679} (( segid " " and resid 401 and name HG3 )) (( segid " " and resid 405 and name H )) OR { 679} (( segid " " and resid 401 and name HG2 )) (( segid " " and resid 405 and name H )) OR { 679} (( segid " " and resid 433 and name HG2 )) (( segid " " and resid 436 and name H )) ASSI { 681} (( segid " " and resid 392 and name HA )) (( segid " " and resid 395 and name HG3 )) 3.700 1.700 1.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.93906E-03 ppm1 4.352 ppm2 2.235 CV 1 OR { 681} (( segid " " and resid 392 and name HA )) (( segid " " and resid 393 and name HG2 )) OR { 681} (( segid " " and resid 392 and name HA )) (( segid " " and resid 393 and name HG3 )) ASSI { 682} (( segid " " and resid 392 and name HA )) (( segid " " and resid 399 and name HD3 )) 4.900 3.000 1.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.61635E-03 ppm1 4.350 ppm2 1.632 CV 1 OR { 682} (( segid " " and resid 392 and name HA )) (( segid " " and resid 399 and name HD2 )) OR { 682} (( segid " " and resid 392 and name HA )) (( segid " " and resid 398 and name HG13)) OR { 682} (( segid " " and resid 392 and name HA )) (( segid " " and resid 399 and name HG2 )) ASSI { 683} (( segid " " and resid 397 and name HA2 )) ( segid " " and resid 398 and name HG2%) 5.300 3.500 0.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.51459E-03 ppm1 3.904 ppm2 0.853 CV 1 OR { 683} (( segid " " and resid 397 and name HA2 )) ( segid " " and resid 443 and name HD1%) ASSI { 684} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 436 and name HB3 )) 4.000 2.000 2.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 0.866 ppm2 1.792 CV 1 OR { 684} ( segid " " and resid 437 and name HG2%) (( segid " " and resid 434 and name HB3 )) ASSI { 688} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 429 and name HG )) 3.500 1.500 1.500 peak 688 spectrum 1 weight 0.10000E+01 volume 0.16310E-02 ppm1 0.648 ppm2 1.404 CV 1 OR { 688} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 425 and name HD3 )) OR { 688} ( segid " " and resid 412 and name HD2%) (( segid " " and resid 425 and name HD2 )) ASSI { 694} (( segid " " and resid 431 and name HG2 )) (( segid " " and resid 435 and name HG13)) 4.500 2.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.63961E-03 ppm1 2.171 ppm2 0.967 CV 1 OR { 694} (( segid " " and resid 431 and name HG2 )) ( segid " " and resid 432 and name HG1%) OR { 694} (( segid " " and resid 431 and name HG2 )) ( segid " " and resid 432 and name HG2%) ASSI { 695} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 431 and name HB2 )) 4.000 2.000 2.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.81113E-03 ppm1 3.200 ppm2 2.053 CV 1 OR { 695} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 431 and name HG3 )) OR { 695} (( segid " " and resid 428 and name HD2 )) (( segid " " and resid 427 and name HB2 )) ASSI { 697} (( segid " " and resid 430 and name HH2 )) (( segid " " and resid 16 and name HG2 )) 4.100 2.100 1.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.41865E-03 ppm1 6.702 ppm2 10.861 CV 1 OR { 697} (( segid " " and resid 430 and name HH2 )) (( segid " " and resid 430 and name HE1 )) ASSI { 698} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 426 and name H )) 4.400 2.500 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.75880E-03 ppm1 0.877 ppm2 8.101 CV 1 OR { 698} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 418 and name H )) OR { 698} ( segid " " and resid 416 and name HD1%) (( segid " " and resid 429 and name H )) ASSI { 746} (( segid " " and resid 444 and name HA )) (( segid " " and resid 445 and name H )) 3.200 1.300 1.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 4.106 ppm2 7.510 CV 1 OR { 746} (( segid " " and resid 444 and name HA )) (( segid " " and resid 446 and name H )) ASSI { 805} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB2 )) 2.100 0.600 0.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.81927E-02 ppm1 3.810 ppm2 1.827 CV 1 OR { 805} (( segid " " and resid 399 and name HA )) (( segid " " and resid 402 and name HB )) OR { 805} (( segid " " and resid 399 and name HA )) (( segid " " and resid 399 and name HB3 )) ASSI { 830} (( segid " " and resid 395 and name HG2 )) ( segid " " and resid 443 and name HD1%) 2.700 0.900 0.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.35761E-02 ppm1 2.379 ppm2 0.803 CV 1 OR { 830} (( segid " " and resid 395 and name HG2 )) ( segid " " and resid 398 and name HG2%) ASSI { 849} (( segid " " and resid 415 and name HA )) (( segid " " and resid 417 and name H )) 3.700 1.700 1.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.14682E-02 ppm1 4.345 ppm2 7.656 CV 1 OR { 849} (( segid " " and resid 415 and name HA )) (( segid " " and resid 414 and name H )) ASSI { 899} (( segid " " and resid 402 and name HG12)) ( segid " " and resid 398 and name HG2%) 3.300 1.300 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.32068E-02 ppm1 1.873 ppm2 0.815 CV 1 OR { 899} (( segid " " and resid 402 and name HG12)) ( segid " " and resid 439 and name HD1%) OR { 899} (( segid " " and resid 402 and name HG12)) ( segid " " and resid 443 and name HD1%) OR { 899} (( segid " " and resid 440 and name HB3 )) ( segid " " and resid 398 and name HG2%) ASSI { 941} (( segid " " and resid 402 and name HA )) ( segid " " and resid 402 and name HG2%) 2.300 0.700 0.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.71577E-02 ppm1 3.349 ppm2 0.727 CV 1 OR { 941} (( segid " " and resid 402 and name HA )) ( segid " " and resid 439 and name HD2%) ASSI { 970} (( segid " " and resid 404 and name HA )) (( segid " " and resid 404 and name H )) 2.500 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.51547E-02 ppm1 3.995 ppm2 7.824 CV 1 OR { 970} (( segid " " and resid 403 and name HA )) (( segid " " and resid 404 and name H )) ASSI { 1055} (( segid " " and resid 435 and name HB )) (( segid " " and resid 435 and name HG12)) 3.400 1.400 1.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.13984E-02 ppm1 1.968 ppm2 1.736 CV 1 OR { 1055} (( segid " " and resid 435 and name HB )) (( segid " " and resid 436 and name HB2 )) ASSI { 1061} (( segid " " and resid 411 and name HA )) (( segid " " and resid 411 and name H )) 2.900 1.000 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.27329E-02 ppm1 3.956 ppm2 7.656 CV 1 OR { 1061} (( segid " " and resid 430 and name HA )) (( segid " " and resid 430 and name HD1 )) ASSI { 1128} (( segid " " and resid 429 and name HA )) (( segid " " and resid 430 and name H )) 3.400 1.500 1.500 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.89254E-03 ppm1 3.732 ppm2 7.757 CV 1 OR { 1128} (( segid " " and resid 429 and name HA )) (( segid " " and resid 431 and name H )) ASSI { 1222} (( segid " " and resid 416 and name HG )) (( segid " " and resid 421 and name HA )) 3.700 1.700 1.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.63961E-03 ppm1 1.687 ppm2 4.331 CV 1 OR { 1222} (( segid " " and resid 416 and name HG )) (( segid " " and resid 415 and name HA )) ASSI { 1277} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 420 and name HA )) 2.600 2.600 3.400 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.63088E-03 ppm1 2.892 ppm2 3.968 CV 1 OR { 1277} (( segid " " and resid 421 and name HE3 )) (( segid " " and resid 420 and name HA )) OR { 1277} (( segid " " and resid 421 and name HE2 )) (( segid " " and resid 419 and name HA2 )) OR { 1277} (( segid " " and resid 421 and name HE3 )) (( segid " " and resid 419 and name HA2 )) ASSI { 1311} (( segid " " and resid 440 and name HA )) ( segid " " and resid 398 and name HG2%) 3.200 1.300 1.300 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.38406E-02 ppm1 3.750 ppm2 0.794 CV 1 OR { 1311} (( segid " " and resid 440 and name HA )) ( segid " " and resid 443 and name HD1%) OR { 1311} (( segid " " and resid 440 and name HA )) ( segid " " and resid 443 and name HD2%) ASSI { 1328} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 423 and name HG )) 4.000 2.000 2.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.15205E-02 ppm1 2.010 ppm2 1.594 CV 1 OR { 1328} (( segid " " and resid 427 and name HB3 )) (( segid " " and resid 429 and name HB3 )) OR { 1328} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 429 and name HB3 )) OR { 1328} (( segid " " and resid 427 and name HB2 )) (( segid " " and resid 423 and name HG )) ASSI { 2} (( segid " " and resid 446 and name H )) ( segid " " and resid 398 and name HG2%) 3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.23545E-03 ppm1 7.527 ppm2 0.792 CV 1 OR { 2} (( segid " " and resid 446 and name H )) ( segid " " and resid 443 and name HD1%) ASSI { 3} (( segid " " and resid 444 and name H )) (( segid " " and resid 445 and name H )) 2.700 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 7.279 ppm2 7.500 CV 1 OR { 3} (( segid " " and resid 444 and name H )) (( segid " " and resid 446 and name H )) ASSI { 5} (( segid " " and resid 445 and name H )) (( segid " " and resid 443 and name HB3 )) 4.000 2.000 2.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.82278E-03 ppm1 7.494 ppm2 1.670 CV 1 OR { 5} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HG3 )) ASSI { 7} (( segid " " and resid 445 and name H )) ( segid " " and resid 443 and name HD2%) 3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.24605E-03 ppm1 7.493 ppm2 0.792 CV 1 OR { 7} (( segid " " and resid 445 and name H )) ( segid " " and resid 398 and name HG2%) OR { 7} (( segid " " and resid 445 and name H )) ( segid " " and resid 443 and name HD1%) ASSI { 9} (( segid " " and resid 445 and name H )) (( segid " " and resid 442 and name HA )) 3.700 1.700 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.88096E-03 ppm1 7.493 ppm2 3.983 CV 1 OR { 9} (( segid " " and resid 445 and name H )) (( segid " " and resid 443 and name HA )) OR { 9} (( segid " " and resid 445 and name H )) (( segid " " and resid 446 and name HA )) ASSI { 10} (( segid " " and resid 445 and name H )) (( segid " " and resid 443 and name H )) 4.500 2.500 1.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.20106E-03 ppm1 7.497 ppm2 7.842 CV 1 OR { 10} (( segid " " and resid 445 and name H )) (( segid " " and resid 442 and name H )) ASSI { 15} (( segid " " and resid 442 and name H )) (( segid " " and resid 441 and name HB3 )) 2.100 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.87250E-02 ppm1 7.785 ppm2 1.903 CV 1 OR { 15} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HB3 )) OR { 15} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HB2 )) ASSI { 16} (( segid " " and resid 442 and name H )) (( segid " " and resid 441 and name HB2 )) 3.300 1.400 1.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.36085E-02 ppm1 7.784 ppm2 1.705 CV 1 OR { 16} (( segid " " and resid 442 and name H )) (( segid " " and resid 441 and name HG2 )) OR { 16} (( segid " " and resid 442 and name H )) (( segid " " and resid 443 and name HB2 )) OR { 16} (( segid " " and resid 442 and name H )) (( segid " " and resid 443 and name HB3 )) ASSI { 18} (( segid " " and resid 442 and name H )) ( segid " " and resid 398 and name HG2%) 3.600 1.600 1.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.23810E-02 ppm1 7.787 ppm2 0.811 CV 1 OR { 18} (( segid " " and resid 442 and name H )) ( segid " " and resid 439 and name HD1%) OR { 18} (( segid " " and resid 442 and name H )) ( segid " " and resid 443 and name HD2%) ASSI { 19} (( segid " " and resid 442 and name H )) (( segid " " and resid 442 and name HA )) 2.300 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.64182E-02 ppm1 7.785 ppm2 3.962 CV 1 OR { 19} (( segid " " and resid 442 and name H )) (( segid " " and resid 439 and name HA )) OR { 19} (( segid " " and resid 442 and name H )) (( segid " " and resid 441 and name HA )) ASSI { 20} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HG3 )) 3.500 1.500 1.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.11614E-02 ppm1 7.662 ppm2 1.439 CV 1 OR { 20} (( segid " " and resid 441 and name H )) (( segid " " and resid 442 and name HG2 )) OR { 20} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HG3 )) OR { 20} (( segid " " and resid 441 and name H )) (( segid " " and resid 440 and name HG3 )) ASSI { 21} (( segid " " and resid 414 and name H )) ( segid " " and resid 416 and name HD1%) 3.600 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.18836E-02 ppm1 7.661 ppm2 0.833 CV 1 OR { 21} (( segid " " and resid 441 and name H )) ( segid " " and resid 398 and name HG2%) OR { 21} (( segid " " and resid 441 and name H )) ( segid " " and resid 439 and name HD1%) OR { 21} (( segid " " and resid 414 and name H )) ( segid " " and resid 412 and name HD1%) ASSI { 22} (( segid " " and resid 441 and name H )) ( segid " " and resid 402 and name HD1%) 5.500 3.700 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25397E-03 ppm1 7.670 ppm2 0.668 CV 1 OR { 22} (( segid " " and resid 414 and name H )) ( segid " " and resid 412 and name HD2%) OR { 22} (( segid " " and resid 414 and name H )) ( segid " " and resid 416 and name HD2%) OR { 22} (( segid " " and resid 441 and name H )) ( segid " " and resid 398 and name HD1%) ASSI { 23} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HD2 )) 3.900 1.900 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 7.661 ppm2 3.084 CV 1 OR { 23} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HD3 )) OR { 23} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HD2 )) OR { 23} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HD3 )) ASSI { 25} (( segid " " and resid 414 and name H )) (( segid " " and resid 415 and name HB2 )) 5.300 3.600 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.28573E-03 ppm1 7.671 ppm2 2.476 CV 1 OR { 25} (( segid " " and resid 414 and name H )) (( segid " " and resid 417 and name HG3 )) ASSI { 27} (( segid " " and resid 441 and name H )) (( segid " " and resid 440 and name HA )) 3.300 1.300 1.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.14286E-02 ppm1 7.662 ppm2 3.728 CV 1 OR { 27} (( segid " " and resid 441 and name H )) (( segid " " and resid 437 and name HA )) ASSI { 28} (( segid " " and resid 414 and name H )) (( segid " " and resid 417 and name HE22)) 3.900 1.900 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.89949E-03 ppm1 7.673 ppm2 6.733 CV 1 OR { 28} (( segid " " and resid 414 and name H )) ( segid " " and resid 75 and name HE% ) ASSI { 30} (( segid " " and resid 439 and name H )) (( segid " " and resid 435 and name HA )) 3.700 1.700 1.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 8.671 ppm2 3.693 CV 1 OR { 30} (( segid " " and resid 439 and name H )) (( segid " " and resid 437 and name HA )) OR { 30} (( segid " " and resid 439 and name H )) (( segid " " and resid 440 and name HA )) ASSI { 31} (( segid " " and resid 439 and name H )) (( segid " " and resid 439 and name HB3 )) 3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.37673E-02 ppm1 8.667 ppm2 1.901 CV 1 OR { 31} (( segid " " and resid 439 and name H )) (( segid " " and resid 439 and name HG )) OR { 31} (( segid " " and resid 439 and name H )) (( segid " " and resid 402 and name HG12)) OR { 31} (( segid " " and resid 439 and name H )) (( segid " " and resid 440 and name HB2 )) ASSI { 33} (( segid " " and resid 438 and name H )) (( segid " " and resid 434 and name HA )) 4.100 2.100 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.84923E-03 ppm1 7.787 ppm2 3.921 CV 1 OR { 33} (( segid " " and resid 438 and name H )) (( segid " " and resid 436 and name HA )) OR { 33} (( segid " " and resid 438 and name H )) (( segid " " and resid 439 and name HA )) ASSI { 34} (( segid " " and resid 438 and name H )) (( segid " " and resid 439 and name HB3 )) 4.400 2.400 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.63758E-03 ppm1 7.786 ppm2 1.901 CV 1 OR { 34} (( segid " " and resid 438 and name H )) (( segid " " and resid 440 and name HB3 )) OR { 34} (( segid " " and resid 438 and name H )) (( segid " " and resid 441 and name HB3 )) OR { 34} (( segid " " and resid 438 and name H )) (( segid " " and resid 439 and name HG )) OR { 34} (( segid " " and resid 438 and name H )) (( segid " " and resid 440 and name HB2 )) ASSI { 35} (( segid " " and resid 438 and name H )) (( segid " " and resid 436 and name HB3 )) 4.200 2.200 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.67726E-03 ppm1 7.786 ppm2 1.744 CV 1 OR { 35} (( segid " " and resid 438 and name H )) (( segid " " and resid 441 and name HB2 )) ASSI { 37} (( segid " " and resid 437 and name H )) (( segid " " and resid 439 and name HB3 )) 3.200 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 8.836 ppm2 1.955 CV 1 OR { 37} (( segid " " and resid 437 and name H )) (( segid " " and resid 405 and name HB2 )) ASSI { 38} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HG )) 3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.22673E-02 ppm1 8.829 ppm2 1.479 CV 1 OR { 38} (( segid " " and resid 437 and name H )) ( segid " " and resid 438 and name HB% ) ASSI { 40} (( segid " " and resid 436 and name H )) (( segid " " and resid 436 and name HG )) 4.000 2.000 2.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.14498E-02 ppm1 8.462 ppm2 1.530 CV 1 OR { 40} (( segid " " and resid 436 and name H )) ( segid " " and resid 438 and name HB% ) ASSI { 42} (( segid " " and resid 436 and name H )) ( segid " " and resid 435 and name HG2%) 3.200 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.26190E-02 ppm1 8.461 ppm2 0.785 CV 1 OR { 42} (( segid " " and resid 436 and name H )) ( segid " " and resid 439 and name HD2%) ASSI { 43} (( segid " " and resid 436 and name H )) (( segid " " and resid 438 and name H )) 3.900 1.900 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.71959E-03 ppm1 8.463 ppm2 7.779 CV 1 OR { 43} (( segid " " and resid 436 and name H )) (( segid " " and resid 433 and name HE22)) ASSI { 45} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HG3 )) 3.800 1.800 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.94711E-03 ppm1 8.125 ppm2 1.462 CV 1 OR { 45} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HG2 )) OR { 45} (( segid " " and resid 435 and name H )) ( segid " " and resid 438 and name HB% ) ASSI { 46} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HA )) 3.400 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.11614E-02 ppm1 8.125 ppm2 3.922 CV 1 OR { 46} (( segid " " and resid 435 and name H )) (( segid " " and resid 433 and name HA )) OR { 46} (( segid " " and resid 435 and name H )) (( segid " " and resid 436 and name HA )) ASSI { 47} (( segid " " and resid 434 and name H )) (( segid " " and resid 435 and name HG13)) 3.800 1.800 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11879E-02 ppm1 8.318 ppm2 0.958 CV 1 OR { 47} (( segid " " and resid 434 and name H )) ( segid " " and resid 432 and name HG2%) OR { 47} (( segid " " and resid 434 and name H )) ( segid " " and resid 432 and name HG1%) ASSI { 48} (( segid " " and resid 434 and name H )) ( segid " " and resid 437 and name HG2%) 4.300 2.300 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 8.304 ppm2 0.804 CV 1 OR { 48} (( segid " " and resid 434 and name H )) ( segid " " and resid 435 and name HD1%) OR { 48} (( segid " " and resid 434 and name H )) ( segid " " and resid 435 and name HG2%) ASSI { 49} (( segid " " and resid 433 and name H )) (( segid " " and resid 429 and name HA )) 3.600 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.64286E-03 ppm1 7.926 ppm2 3.702 CV 1 OR { 49} (( segid " " and resid 433 and name H )) (( segid " " and resid 435 and name HA )) ASSI { 51} (( segid " " and resid 433 and name H )) ( segid " " and resid 409 and name HD1%) 3.700 1.700 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 7.934 ppm2 0.767 CV 1 OR { 51} (( segid " " and resid 433 and name H )) ( segid " " and resid 435 and name HD1%) ASSI { 52} (( segid " " and resid 432 and name H )) ( segid " " and resid 435 and name HD1%) 3.400 1.400 1.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.27857E-02 ppm1 8.872 ppm2 0.771 CV 1 OR { 52} (( segid " " and resid 432 and name H )) ( segid " " and resid 409 and name HD1%) ASSI { 53} (( segid " " and resid 432 and name H )) (( segid " " and resid 435 and name HG12)) 4.000 2.000 2.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.13810E-02 ppm1 8.858 ppm2 1.700 CV 1 OR { 53} (( segid " " and resid 432 and name H )) (( segid " " and resid 408 and name HB3 )) OR { 53} (( segid " " and resid 432 and name H )) (( segid " " and resid 436 and name HB2 )) ASSI { 54} (( segid " " and resid 432 and name H )) (( segid " " and resid 430 and name HA )) 3.700 1.700 1.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 8.867 ppm2 3.931 CV 1 OR { 54} (( segid " " and resid 432 and name H )) (( segid " " and resid 433 and name HA )) ASSI { 55} (( segid " " and resid 431 and name H )) (( segid " " and resid 430 and name HB3 )) 3.400 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.21085E-02 ppm1 7.759 ppm2 3.092 CV 1 OR { 55} (( segid " " and resid 431 and name H )) (( segid " " and resid 428 and name HD3 )) ASSI { 56} (( segid " " and resid 431 and name H )) (( segid " " and resid 430 and name HA )) 3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.23968E-02 ppm1 7.758 ppm2 3.924 CV 1 OR { 56} (( segid " " and resid 431 and name H )) (( segid " " and resid 427 and name HA )) ASSI { 57} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 436 and name HD1%) 3.900 1.900 1.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.86246E-03 ppm1 7.764 ppm2 0.958 CV 1 OR { 57} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 436 and name HD2%) OR { 57} (( segid " " and resid 433 and name HE22)) ( segid " " and resid 432 and name HG1%) ASSI { 58} (( segid " " and resid 430 and name H )) (( segid " " and resid 431 and name HG2 )) 4.900 3.000 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.62171E-03 ppm1 7.765 ppm2 2.213 CV 1 OR { 58} (( segid " " and resid 430 and name H )) (( segid " " and resid 426 and name HB3 )) OR { 58} (( segid " " and resid 430 and name H )) (( segid " " and resid 431 and name HB3 )) OR { 58} (( segid " " and resid 430 and name H )) (( segid " " and resid 433 and name HG2 )) ASSI { 59} (( segid " " and resid 430 and name H )) (( segid " " and resid 430 and name HA )) 2.900 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22355E-02 ppm1 7.757 ppm2 3.932 CV 1 OR { 59} (( segid " " and resid 430 and name H )) (( segid " " and resid 427 and name HA )) ASSI { 60} (( segid " " and resid 430 and name H )) (( segid " " and resid 429 and name HA )) 3.600 1.600 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.95239E-03 ppm1 7.751 ppm2 3.746 CV 1 OR { 60} (( segid " " and resid 430 and name H )) (( segid " " and resid 426 and name HA )) ASSI { 61} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 82 and name HA )) 4.200 2.200 1.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.80425E-03 ppm1 10.855 ppm2 4.478 CV 1 OR { 61} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 85 and name HA )) ASSI { 64} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 85 and name H )) 2.700 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.21641E-02 ppm1 10.859 ppm2 7.660 CV 1 OR { 64} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 430 and name HD1 )) ASSI { 65} (( segid " " and resid 430 and name HE1 )) ( segid " " and resid 82 and name HD% ) 3.700 1.700 1.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.65081E-03 ppm1 10.858 ppm2 6.695 CV 1 OR { 65} (( segid " " and resid 430 and name HE1 )) (( segid " " and resid 430 and name HH2 )) ASSI { 66} (( segid " " and resid 429 and name H )) (( segid " " and resid 425 and name HA )) 3.400 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.14630E-02 ppm1 8.097 ppm2 3.933 CV 1 OR { 66} (( segid " " and resid 429 and name H )) (( segid " " and resid 427 and name HA )) OR { 66} (( segid " " and resid 429 and name H )) (( segid " " and resid 430 and name HA )) ASSI { 67} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HG2 )) 4.100 2.100 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 8.091 ppm2 1.694 CV 1 OR { 67} (( segid " " and resid 429 and name H )) (( segid " " and resid 412 and name HG )) ASSI { 68} (( segid " " and resid 429 and name H )) (( segid " " and resid 412 and name HB2 )) 4.700 2.700 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.63758E-03 ppm1 8.104 ppm2 0.964 CV 1 OR { 68} (( segid " " and resid 429 and name H )) ( segid " " and resid 432 and name HG1%) OR { 68} (( segid " " and resid 429 and name H )) ( segid " " and resid 432 and name HG2%) ASSI { 69} (( segid " " and resid 428 and name H )) (( segid " " and resid 426 and name HA )) 4.000 2.000 2.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.93917E-03 ppm1 7.766 ppm2 3.749 CV 1 OR { 69} (( segid " " and resid 428 and name H )) (( segid " " and resid 429 and name HA )) ASSI { 71} (( segid " " and resid 428 and name H )) (( segid " " and resid 428 and name HG3 )) 4.600 2.600 1.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.81748E-03 ppm1 7.769 ppm2 1.518 CV 1 OR { 71} (( segid " " and resid 428 and name H )) (( segid " " and resid 429 and name HB3 )) ASSI { 72} (( segid " " and resid 427 and name H )) (( segid " " and resid 427 and name HG2 )) 3.300 1.400 1.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.25609E-02 ppm1 8.009 ppm2 2.233 CV 1 OR { 72} (( segid " " and resid 427 and name H )) (( segid " " and resid 426 and name HB3 )) ASSI { 74} (( segid " " and resid 427 and name H )) (( segid " " and resid 428 and name HB3 )) 3.300 1.300 1.300 peak 74 spectrum 1 weight 0.10000E+01 volume 0.45609E-02 ppm1 8.007 ppm2 1.945 CV 1 OR { 74} (( segid " " and resid 427 and name H )) (( segid " " and resid 428 and name HB2 )) OR { 74} (( segid " " and resid 427 and name H )) (( segid " " and resid 84 and name HB2 )) OR { 74} (( segid " " and resid 427 and name H )) (( segid " " and resid 429 and name HB2 )) ASSI { 75} (( segid " " and resid 427 and name H )) (( segid " " and resid 429 and name HB3 )) 4.300 2.300 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.64551E-03 ppm1 8.007 ppm2 1.553 CV 1 OR { 75} (( segid " " and resid 427 and name H )) (( segid " " and resid 423 and name HB3 )) OR { 75} (( segid " " and resid 427 and name H )) (( segid " " and resid 425 and name HB3 )) OR { 75} (( segid " " and resid 427 and name H )) (( segid " " and resid 428 and name HG3 )) ASSI { 76} (( segid " " and resid 427 and name H )) ( segid " " and resid 412 and name HD1%) 3.700 1.800 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.68256E-03 ppm1 8.002 ppm2 0.812 CV 1 OR { 76} (( segid " " and resid 427 and name H )) ( segid " " and resid 416 and name HD1%) OR { 76} (( segid " " and resid 427 and name H )) ( segid " " and resid 409 and name HD1%) ASSI { 79} (( segid " " and resid 426 and name H )) (( segid " " and resid 425 and name HA )) 2.800 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.36748E-02 ppm1 8.103 ppm2 3.925 CV 1 OR { 79} (( segid " " and resid 426 and name H )) (( segid " " and resid 423 and name HA )) OR { 79} (( segid " " and resid 426 and name H )) (( segid " " and resid 427 and name HA )) ASSI { 80} (( segid " " and resid 425 and name H )) (( segid " " and resid 425 and name HA )) 2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.57064E-02 ppm1 7.731 ppm2 3.884 CV 1 OR { 80} (( segid " " and resid 425 and name H )) (( segid " " and resid 424 and name HB3 )) OR { 80} (( segid " " and resid 425 and name H )) (( segid " " and resid 424 and name HB2 )) ASSI { 82} (( segid " " and resid 425 and name H )) (( segid " " and resid 426 and name HG3 )) 4.300 2.300 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.73812E-03 ppm1 7.731 ppm2 2.072 CV 1 OR { 82} (( segid " " and resid 425 and name H )) (( segid " " and resid 427 and name HG3 )) OR { 82} (( segid " " and resid 425 and name H )) (( segid " " and resid 427 and name HB2 )) ASSI { 83} (( segid " " and resid 425 and name H )) (( segid " " and resid 428 and name HB3 )) 4.200 2.200 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.83863E-03 ppm1 7.733 ppm2 1.911 CV 1 OR { 83} (( segid " " and resid 425 and name H )) (( segid " " and resid 426 and name HB2 )) OR { 83} (( segid " " and resid 425 and name H )) (( segid " " and resid 428 and name HB2 )) OR { 83} (( segid " " and resid 425 and name H )) (( segid " " and resid 429 and name HB2 )) ASSI { 85} (( segid " " and resid 425 and name H )) ( segid " " and resid 416 and name HD1%) 3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.17752E-02 ppm1 7.735 ppm2 0.815 CV 1 OR { 85} (( segid " " and resid 425 and name H )) ( segid " " and resid 412 and name HD1%) ASSI { 87} (( segid " " and resid 424 and name H )) (( segid " " and resid 427 and name HB3 )) 4.900 3.000 1.100 peak 87 spectrum 1 weight 0.10000E+01 volume 0.33863E-03 ppm1 8.177 ppm2 2.069 CV 1 OR { 87} (( segid " " and resid 424 and name H )) (( segid " " and resid 426 and name HG3 )) OR { 87} (( segid " " and resid 424 and name H )) (( segid " " and resid 427 and name HG3 )) OR { 87} (( segid " " and resid 424 and name H )) (( segid " " and resid 427 and name HB2 )) ASSI { 89} (( segid " " and resid 424 and name H )) (( segid " " and resid 426 and name HB2 )) 5.100 3.300 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.33598E-03 ppm1 8.164 ppm2 1.919 CV 1 OR { 89} (( segid " " and resid 424 and name H )) (( segid " " and resid 428 and name HB3 )) OR { 89} (( segid " " and resid 424 and name H )) (( segid " " and resid 428 and name HB2 )) OR { 89} (( segid " " and resid 424 and name H )) (( segid " " and resid 84 and name HB2 )) ASSI { 90} (( segid " " and resid 424 and name H )) (( segid " " and resid 425 and name HB2 )) 5.100 3.300 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.49472E-03 ppm1 8.173 ppm2 1.756 CV 1 OR { 90} (( segid " " and resid 424 and name H )) (( segid " " and resid 421 and name HB3 )) ASSI { 92} (( segid " " and resid 421 and name H )) (( segid " " and resid 421 and name HB3 )) 2.900 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.57964E-02 ppm1 8.386 ppm2 1.741 CV 1 OR { 92} (( segid " " and resid 421 and name H )) (( segid " " and resid 420 and name HB )) ASSI { 96} (( segid " " and resid 420 and name H )) (( segid " " and resid 421 and name HA )) 4.800 2.900 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17461E-03 ppm1 7.532 ppm2 4.337 CV 1 OR { 96} (( segid " " and resid 420 and name H )) (( segid " " and resid 415 and name HA )) ASSI { 99} (( segid " " and resid 419 and name H )) (( segid " " and resid 417 and name HA )) 3.800 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.52647E-03 ppm1 7.883 ppm2 4.328 CV 1 OR { 99} (( segid " " and resid 419 and name H )) (( segid " " and resid 415 and name HA )) ASSI { 100} (( segid " " and resid 418 and name H )) (( segid " " and resid 417 and name HA )) 3.200 1.300 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 8.155 ppm2 4.337 CV 1 OR { 100} (( segid " " and resid 418 and name H )) (( segid " " and resid 415 and name HA )) ASSI { 104} (( segid " " and resid 417 and name H )) (( segid " " and resid 414 and name HA )) 3.700 1.700 1.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 7.640 ppm2 3.942 CV 1 OR { 104} (( segid " " and resid 417 and name H )) (( segid " " and resid 418 and name HA2 )) OR { 104} (( segid " " and resid 417 and name H )) (( segid " " and resid 77 and name HA )) ASSI { 106} (( segid " " and resid 416 and name H )) (( segid " " and resid 413 and name HB3 )) 5.900 4.400 0.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.21165E-03 ppm1 7.805 ppm2 2.677 CV 1 OR { 106} (( segid " " and resid 404 and name H )) (( segid " " and resid 405 and name HG3 )) ASSI { 107} (( segid " " and resid 416 and name H )) (( segid " " and resid 415 and name HB2 )) 3.800 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.59791E-03 ppm1 7.799 ppm2 2.484 CV 1 OR { 107} (( segid " " and resid 416 and name H )) (( segid " " and resid 417 and name HG3 )) ASSI { 108} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HG )) 3.400 1.400 1.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 7.802 ppm2 1.672 CV 1 OR { 108} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HB3 )) OR { 108} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HG3 )) ASSI { 109} (( segid " " and resid 416 and name H )) (( segid " " and resid 416 and name HB2 )) 2.800 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.15794E-02 ppm1 7.801 ppm2 1.446 CV 1 OR { 109} (( segid " " and resid 404 and name H )) (( segid " " and resid 403 and name HG3 )) OR { 109} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HG2 )) ASSI { 110} (( segid " " and resid 416 and name H )) ( segid " " and resid 416 and name HD1%) 3.700 1.700 1.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.89156E-03 ppm1 7.805 ppm2 0.872 CV 1 OR { 110} (( segid " " and resid 404 and name H )) ( segid " " and resid 408 and name HD1%) ASSI { 111} (( segid " " and resid 415 and name H )) (( segid " " and resid 413 and name H )) 4.600 2.700 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.34128E-03 ppm1 7.837 ppm2 8.181 CV 1 OR { 111} (( segid " " and resid 415 and name H )) (( segid " " and resid 418 and name H )) ASSI { 112} (( segid " " and resid 413 and name H )) (( segid " " and resid 413 and name HD2 )) 3.000 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.25609E-02 ppm1 8.196 ppm2 6.727 CV 1 OR { 112} (( segid " " and resid 413 and name H )) (( segid " " and resid 417 and name HE22)) ASSI { 114} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name HA )) 3.100 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25476E-02 ppm1 8.195 ppm2 3.967 CV 1 OR { 114} (( segid " " and resid 413 and name H )) (( segid " " and resid 411 and name HA )) OR { 114} (( segid " " and resid 413 and name H )) (( segid " " and resid 414 and name HA )) ASSI { 115} (( segid " " and resid 413 and name H )) (( segid " " and resid 409 and name HA )) 3.400 1.500 1.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 8.197 ppm2 3.745 CV 1 OR { 115} (( segid " " and resid 413 and name H )) (( segid " " and resid 429 and name HA )) ASSI { 117} (( segid " " and resid 413 and name H )) (( segid " " and resid 412 and name HG )) 4.000 2.000 2.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.18016E-02 ppm1 8.196 ppm2 1.705 CV 1 OR { 117} (( segid " " and resid 413 and name H )) (( segid " " and resid 414 and name HG2 )) OR { 117} (( segid " " and resid 413 and name H )) (( segid " " and resid 416 and name HB3 )) ASSI { 119} (( segid " " and resid 413 and name H )) ( segid " " and resid 409 and name HD1%) 3.800 1.800 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.20450E-02 ppm1 8.194 ppm2 0.796 CV 1 OR { 119} (( segid " " and resid 413 and name H )) ( segid " " and resid 412 and name HD1%) ASSI { 121} (( segid " " and resid 398 and name H )) (( segid " " and resid 395 and name HB3 )) 5.000 3.100 1.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.44974E-03 ppm1 7.961 ppm2 2.007 CV 1 OR { 121} (( segid " " and resid 398 and name H )) (( segid " " and resid 400 and name HB2 )) OR { 121} (( segid " " and resid 398 and name H )) (( segid " " and resid 395 and name HB2 )) OR { 121} (( segid " " and resid 398 and name H )) (( segid " " and resid 442 and name HB3 )) ASSI { 123} (( segid " " and resid 412 and name H )) (( segid " " and resid 412 and name HA )) 2.900 1.000 1.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.32171E-02 ppm1 7.944 ppm2 3.945 CV 1 OR { 123} (( segid " " and resid 398 and name H )) (( segid " " and resid 395 and name HA )) OR { 123} (( segid " " and resid 398 and name H )) (( segid " " and resid 397 and name HA2 )) OR { 123} (( segid " " and resid 412 and name H )) (( segid " " and resid 411 and name HA )) ASSI { 124} (( segid " " and resid 411 and name H )) (( segid " " and resid 409 and name HB3 )) 4.200 2.200 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.95769E-03 ppm1 7.638 ppm2 1.838 CV 1 OR { 124} (( segid " " and resid 411 and name H )) (( segid " " and resid 414 and name HB3 )) OR { 124} (( segid " " and resid 411 and name H )) (( segid " " and resid 408 and name HB2 )) OR { 124} (( segid " " and resid 411 and name H )) (( segid " " and resid 414 and name HB2 )) ASSI { 125} (( segid " " and resid 411 and name H )) (( segid " " and resid 412 and name HG )) 4.500 2.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.62171E-03 ppm1 7.640 ppm2 1.648 CV 1 OR { 125} (( segid " " and resid 411 and name H )) (( segid " " and resid 408 and name HB3 )) OR { 125} (( segid " " and resid 411 and name H )) (( segid " " and resid 409 and name HB2 )) ASSI { 126} (( segid " " and resid 411 and name H )) ( segid " " and resid 412 and name HD1%) 4.500 2.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.65346E-03 ppm1 7.640 ppm2 0.841 CV 1 OR { 126} (( segid " " and resid 411 and name H )) ( segid " " and resid 409 and name HD2%) OR { 126} (( segid " " and resid 411 and name H )) ( segid " " and resid 408 and name HD1%) ASSI { 128} (( segid " " and resid 410 and name H )) (( segid " " and resid 408 and name HA )) 4.000 2.000 2.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.94976E-03 ppm1 8.120 ppm2 3.962 CV 1 OR { 128} (( segid " " and resid 410 and name H )) (( segid " " and resid 411 and name HA )) ASSI { 129} (( segid " " and resid 410 and name H )) (( segid " " and resid 406 and name HA )) 3.800 1.800 1.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 8.126 ppm2 3.786 CV 1 OR { 129} (( segid " " and resid 410 and name H )) (( segid " " and resid 411 and name HB2 )) OR { 129} (( segid " " and resid 410 and name H )) (( segid " " and resid 411 and name HB3 )) ASSI { 136} (( segid " " and resid 409 and name H )) (( segid " " and resid 408 and name HB2 )) 2.200 0.600 0.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.56350E-02 ppm1 8.713 ppm2 1.821 CV 1 OR { 136} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HB3 )) ASSI { 137} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HB2 )) 2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.60848E-02 ppm1 8.713 ppm2 1.611 CV 1 OR { 137} (( segid " " and resid 409 and name H )) (( segid " " and resid 408 and name HB3 )) OR { 137} (( segid " " and resid 409 and name H )) (( segid " " and resid 409 and name HG )) ASSI { 139} (( segid " " and resid 409 and name H )) ( segid " " and resid 409 and name HD1%) 3.500 1.500 1.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.48070E-02 ppm1 8.711 ppm2 0.827 CV 1 OR { 139} (( segid " " and resid 409 and name H )) ( segid " " and resid 409 and name HD2%) OR { 139} (( segid " " and resid 409 and name H )) ( segid " " and resid 408 and name HD1%) ASSI { 140} (( segid " " and resid 409 and name H )) (( segid " " and resid 405 and name HA )) 4.000 2.000 2.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.66669E-03 ppm1 8.713 ppm2 4.159 CV 1 OR { 140} (( segid " " and resid 409 and name H )) (( segid " " and resid 407 and name HA )) ASSI { 144} (( segid " " and resid 408 and name H )) (( segid " " and resid 406 and name HA )) 4.000 2.000 2.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.85981E-03 ppm1 7.664 ppm2 3.778 CV 1 OR { 144} (( segid " " and resid 408 and name H )) (( segid " " and resid 409 and name HA )) OR { 144} (( segid " " and resid 408 and name H )) (( segid " " and resid 411 and name HB3 )) ASSI { 146} (( segid " " and resid 406 and name H )) (( segid " " and resid 403 and name HA )) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.25423E-02 ppm1 8.917 ppm2 4.000 CV 1 OR { 146} (( segid " " and resid 406 and name H )) (( segid " " and resid 404 and name HA )) ASSI { 148} (( segid " " and resid 406 and name H )) (( segid " " and resid 408 and name HG )) 4.200 2.200 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.87038E-03 ppm1 8.907 ppm2 1.662 CV 1 OR { 148} (( segid " " and resid 406 and name H )) (( segid " " and resid 409 and name HB2 )) OR { 148} (( segid " " and resid 406 and name H )) (( segid " " and resid 408 and name HB3 )) ASSI { 150} (( segid " " and resid 406 and name H )) ( segid " " and resid 402 and name HG2%) 3.700 1.700 1.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.19921E-02 ppm1 8.919 ppm2 0.768 CV 1 OR { 150} (( segid " " and resid 406 and name H )) ( segid " " and resid 439 and name HD2%) OR { 150} (( segid " " and resid 406 and name H )) ( segid " " and resid 435 and name HG2%) ASSI { 151} (( segid " " and resid 405 and name H )) ( segid " " and resid 436 and name HD1%) 3.900 1.900 1.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.22329E-02 ppm1 8.433 ppm2 0.922 CV 1 OR { 151} (( segid " " and resid 405 and name H )) ( segid " " and resid 436 and name HD2%) OR { 151} (( segid " " and resid 405 and name H )) ( segid " " and resid 408 and name HD2%) ASSI { 152} (( segid " " and resid 405 and name H )) ( segid " " and resid 439 and name HD2%) 3.800 1.800 1.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.23624E-02 ppm1 8.439 ppm2 0.787 CV 1 OR { 152} (( segid " " and resid 405 and name H )) ( segid " " and resid 408 and name HD1%) OR { 152} (( segid " " and resid 405 and name H )) ( segid " " and resid 402 and name HG2%) OR { 152} (( segid " " and resid 405 and name H )) ( segid " " and resid 435 and name HG2%) ASSI { 153} (( segid " " and resid 403 and name H )) (( segid " " and resid 406 and name HB2 )) 4.400 2.400 1.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.76985E-03 ppm1 7.556 ppm2 2.101 CV 1 OR { 153} (( segid " " and resid 403 and name H )) (( segid " " and resid 401 and name HB2 )) OR { 153} (( segid " " and resid 403 and name H )) (( segid " " and resid 401 and name HB3 )) OR { 153} (( segid " " and resid 403 and name H )) (( segid " " and resid 405 and name HG2 )) OR { 153} (( segid " " and resid 403 and name H )) (( segid " " and resid 406 and name HG2 )) ASSI { 154} (( segid " " and resid 403 and name H )) (( segid " " and resid 402 and name HB )) 2.400 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.58361E-02 ppm1 7.559 ppm2 1.850 CV 1 OR { 154} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HB2 )) OR { 154} (( segid " " and resid 403 and name H )) (( segid " " and resid 403 and name HB3 )) OR { 154} (( segid " " and resid 403 and name H )) (( segid " " and resid 402 and name HG12)) ASSI { 157} (( segid " " and resid 402 and name H )) (( segid " " and resid 399 and name HA )) 2.900 1.100 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.26139E-02 ppm1 8.646 ppm2 3.782 CV 1 OR { 157} (( segid " " and resid 402 and name H )) (( segid " " and resid 398 and name HA )) ASSI { 160} (( segid " " and resid 402 and name H )) (( segid " " and resid 402 and name HB )) 2.300 0.700 0.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.83705E-02 ppm1 8.646 ppm2 1.853 CV 1 OR { 160} (( segid " " and resid 402 and name H )) (( segid " " and resid 402 and name HG12)) OR { 160} (( segid " " and resid 402 and name H )) (( segid " " and resid 439 and name HG )) OR { 160} (( segid " " and resid 402 and name H )) (( segid " " and resid 439 and name HB3 )) ASSI { 162} (( segid " " and resid 402 and name H )) (( segid " " and resid 401 and name HA )) 3.000 1.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.24895E-02 ppm1 8.645 ppm2 4.072 CV 1 OR { 162} (( segid " " and resid 402 and name H )) (( segid " " and resid 400 and name HA )) OR { 162} (( segid " " and resid 402 and name H )) (( segid " " and resid 403 and name HA )) ASSI { 163} (( segid " " and resid 401 and name H )) (( segid " " and resid 398 and name HA )) 3.100 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 7.759 ppm2 3.759 CV 1 OR { 163} (( segid " " and resid 401 and name H )) (( segid " " and resid 399 and name HA )) ASSI { 164} (( segid " " and resid 401 and name H )) (( segid " " and resid 404 and name HD2 )) 5.200 3.400 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.32011E-03 ppm1 7.760 ppm2 3.144 CV 1 OR { 164} (( segid " " and resid 401 and name H )) (( segid " " and resid 404 and name HD3 )) OR { 164} (( segid " " and resid 401 and name H )) (( segid " " and resid 403 and name HD2 )) OR { 164} (( segid " " and resid 401 and name H )) (( segid " " and resid 403 and name HD3 )) ASSI { 165} (( segid " " and resid 401 and name H )) (( segid " " and resid 402 and name HB )) 4.100 2.100 1.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.15159E-02 ppm1 7.758 ppm2 1.849 CV 1 OR { 165} (( segid " " and resid 401 and name H )) (( segid " " and resid 399 and name HB3 )) OR { 165} (( segid " " and resid 401 and name H )) (( segid " " and resid 404 and name HB3 )) OR { 165} (( segid " " and resid 401 and name H )) (( segid " " and resid 399 and name HB2 )) OR { 165} (( segid " " and resid 401 and name H )) (( segid " " and resid 439 and name HG )) OR { 165} (( segid " " and resid 401 and name H )) (( segid " " and resid 402 and name HG12)) ASSI { 166} (( segid " " and resid 401 and name H )) ( segid " " and resid 439 and name HD2%) 4.500 2.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.15556E-02 ppm1 7.758 ppm2 0.755 CV 1 OR { 166} (( segid " " and resid 401 and name H )) ( segid " " and resid 439 and name HD1%) OR { 166} (( segid " " and resid 401 and name H )) ( segid " " and resid 402 and name HG2%) ASSI { 167} (( segid " " and resid 400 and name H )) (( segid " " and resid 399 and name HA )) 3.300 1.300 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16482E-02 ppm1 7.881 ppm2 3.789 CV 1 OR { 167} (( segid " " and resid 400 and name H )) (( segid " " and resid 397 and name HA3 )) ASSI { 170} (( segid " " and resid 400 and name H )) (( segid " " and resid 402 and name HG13)) 4.600 2.600 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.90744E-03 ppm1 7.878 ppm2 0.723 CV 1 OR { 170} (( segid " " and resid 400 and name H )) ( segid " " and resid 402 and name HD1%) OR { 170} (( segid " " and resid 400 and name H )) ( segid " " and resid 398 and name HD1%) OR { 170} (( segid " " and resid 400 and name H )) ( segid " " and resid 439 and name HD2%) OR { 170} (( segid " " and resid 400 and name H )) ( segid " " and resid 402 and name HG2%) ASSI { 172} (( segid " " and resid 399 and name H )) (( segid " " and resid 395 and name HB3 )) 4.000 2.000 2.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.10926E-02 ppm1 8.203 ppm2 2.034 CV 1 OR { 172} (( segid " " and resid 399 and name H )) (( segid " " and resid 400 and name HB2 )) OR { 172} (( segid " " and resid 399 and name H )) (( segid " " and resid 395 and name HB2 )) OR { 172} (( segid " " and resid 399 and name H )) (( segid " " and resid 400 and name HB3 )) ASSI { 173} (( segid " " and resid 399 and name H )) ( segid " " and resid 398 and name HG2%) 3.300 1.400 1.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.24842E-02 ppm1 8.208 ppm2 0.807 CV 1 OR { 173} (( segid " " and resid 399 and name H )) ( segid " " and resid 443 and name HD1%) OR { 173} (( segid " " and resid 399 and name H )) ( segid " " and resid 443 and name HD2%) ASSI { 174} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HB2 )) 2.300 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.77701E-02 ppm1 7.660 ppm2 1.724 CV 1 OR { 174} (( segid " " and resid 414 and name H )) (( segid " " and resid 414 and name HG2 )) OR { 174} (( segid " " and resid 441 and name H )) (( segid " " and resid 441 and name HG2 )) ASSI { 175} (( segid " " and resid 396 and name H )) (( segid " " and resid 394 and name HA )) 3.400 1.400 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 8.177 ppm2 4.273 CV 1 OR { 175} (( segid " " and resid 396 and name H )) (( segid " " and resid 393 and name HA )) OR { 175} (( segid " " and resid 396 and name H )) (( segid " " and resid 394 and name HB )) ASSI { 177} (( segid " " and resid 417 and name HE22)) (( segid " " and resid 417 and name HA )) 2.700 2.700 3.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.58731E-03 ppm1 6.719 ppm2 4.342 CV 1 OR { 177} (( segid " " and resid 417 and name HE22)) (( segid " " and resid 410 and name HA )) ASSI { 179} (( segid " " and resid 417 and name HE21)) (( segid " " and resid 78 and name HG12)) 2.700 2.700 3.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.60583E-03 ppm1 7.187 ppm2 0.622 CV 1 OR { 179} (( segid " " and resid 417 and name HE21)) ( segid " " and resid 416 and name HD2%) ASSI { 184} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HB3 )) 2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.34154E-02 ppm1 7.835 ppm2 1.850 CV 1 OR { 184} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HB2 )) OR { 184} (( segid " " and resid 407 and name H )) (( segid " " and resid 406 and name HB3 )) ASSI { 185} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HG2 )) 4.200 2.200 1.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.15635E-02 ppm1 7.838 ppm2 1.656 CV 1 OR { 185} (( segid " " and resid 415 and name H )) (( segid " " and resid 416 and name HG )) OR { 185} (( segid " " and resid 415 and name H )) (( segid " " and resid 416 and name HB3 )) ASSI { 186} (( segid " " and resid 415 and name H )) (( segid " " and resid 416 and name HB2 )) 4.400 2.400 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.74605E-03 ppm1 7.839 ppm2 1.453 CV 1 OR { 186} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HG3 )) ASSI { 187} (( segid " " and resid 415 and name H )) ( segid " " and resid 412 and name HD1%) 4.400 2.400 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.86773E-03 ppm1 7.834 ppm2 0.806 CV 1 OR { 187} (( segid " " and resid 415 and name H )) ( segid " " and resid 420 and name HD1%) OR { 187} (( segid " " and resid 415 and name H )) ( segid " " and resid 420 and name HG2%) ASSI { 188} (( segid " " and resid 415 and name H )) (( segid " " and resid 414 and name HA )) 2.900 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.29154E-02 ppm1 7.836 ppm2 3.957 CV 1 OR { 188} (( segid " " and resid 415 and name H )) (( segid " " and resid 412 and name HA )) OR { 188} (( segid " " and resid 415 and name H )) (( segid " " and resid 411 and name HA )) ASSI { 189} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HB3 )) 4.100 2.100 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 6.816 ppm2 1.678 CV 1 OR { 189} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HB2 )) OR { 189} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 398 and name HG13)) ASSI { 190} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 443 and name HA )) 3.700 1.700 1.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.13387E-02 ppm1 6.814 ppm2 3.977 CV 1 OR { 190} (( segid " " and resid 395 and name HE21)) (( segid " " and resid 446 and name HA )) ASSI { 192} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 443 and name HA )) 4.700 2.700 1.300 peak 192 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 7.563 ppm2 3.959 CV 1 OR { 192} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 446 and name HA )) ASSI { 193} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 399 and name HG2 )) 4.400 2.400 1.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 7.562 ppm2 1.625 CV 1 OR { 193} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 399 and name HD3 )) OR { 193} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 443 and name HB2 )) OR { 193} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 398 and name HG13)) OR { 193} (( segid " " and resid 395 and name HE22)) (( segid " " and resid 399 and name HD2 )) ASSI { 195} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 405 and name HG2 )) 4.000 2.000 2.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11164E-02 ppm1 6.073 ppm2 2.014 CV 1 OR { 195} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 435 and name HB )) ASSI { 196} (( segid " " and resid 405 and name HE22)) ( segid " " and resid 432 and name HG1%) 4.400 2.400 1.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.66669E-03 ppm1 6.072 ppm2 0.980 CV 1 OR { 196} (( segid " " and resid 405 and name HE22)) ( segid " " and resid 432 and name HG2%) OR { 196} (( segid " " and resid 405 and name HE22)) (( segid " " and resid 435 and name HG13)) ASSI { 197} (( segid " " and resid 405 and name HE22)) ( segid " " and resid 408 and name HD1%) 3.200 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.18784E-02 ppm1 6.077 ppm2 0.790 CV 1 OR { 197} (( segid " " and resid 405 and name HE22)) ( segid " " and resid 435 and name HG2%) OR { 197} (( segid " " and resid 405 and name HE22)) ( segid " " and resid 435 and name HD1%) ASSI { 199} (( segid " " and resid 405 and name HE21)) ( segid " " and resid 435 and name HG2%) 3.500 1.500 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.17302E-02 ppm1 7.209 ppm2 0.796 CV 1 OR { 199} (( segid " " and resid 405 and name HE21)) ( segid " " and resid 439 and name HD2%) OR { 199} (( segid " " and resid 405 and name HE21)) ( segid " " and resid 408 and name HD1%) OR { 199} (( segid " " and resid 405 and name HE21)) ( segid " " and resid 435 and name HD1%) ASSI { 200} (( segid " " and resid 405 and name HE21)) (( segid " " and resid 405 and name HG2 )) 2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.13995E-02 ppm1 7.214 ppm2 2.018 CV 1 OR { 200} (( segid " " and resid 405 and name HE21)) (( segid " " and resid 435 and name HB )) ASSI { 201} (( segid " " and resid 433 and name HE21)) ( segid " " and resid 437 and name HG2%) 3.500 1.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.11879E-02 ppm1 6.667 ppm2 0.909 CV 1 OR { 201} (( segid " " and resid 433 and name HE21)) ( segid " " and resid 436 and name HD2%) ASSI { 202} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 436 and name HG )) 4.200 2.200 1.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.92066E-03 ppm1 6.661 ppm2 1.472 CV 1 OR { 202} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 434 and name HG2 )) OR { 202} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 434 and name HG3 )) ASSI { 204} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 49 and name HA )) 4.900 3.000 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.61376E-03 ppm1 6.654 ppm2 4.661 CV 1 OR { 204} (( segid " " and resid 433 and name HE21)) (( segid " " and resid 437 and name HG1 )) ASSI { 205} (( segid " " and resid 416 and name H )) (( segid " " and resid 417 and name HE21)) 5.400 3.600 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.26455E-03 ppm1 7.799 ppm2 7.211 CV 1 OR { 205} (( segid " " and resid 404 and name H )) (( segid " " and resid 405 and name HE21)) OR { 205} (( segid " " and resid 404 and name H )) ( segid " " and resid 407 and name HD% ) ASSI { 206} (( segid " " and resid 426 and name H )) (( segid " " and resid 426 and name HB2 )) 3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.28573E-02 ppm1 8.102 ppm2 1.882 CV 1 OR { 206} (( segid " " and resid 426 and name H )) (( segid " " and resid 84 and name HB3 )) OR { 206} (( segid " " and resid 426 and name H )) (( segid " " and resid 84 and name HB2 )) ASSI { 209} (( segid " " and resid 422 and name H )) (( segid " " and resid 425 and name HB2 )) 3.600 1.600 1.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.86511E-03 ppm1 8.677 ppm2 1.717 CV 1 OR { 209} (( segid " " and resid 422 and name H )) (( segid " " and resid 421 and name HB3 )) ASSI { 210} (( segid " " and resid 412 and name H )) (( segid " " and resid 414 and name HB3 )) 3.600 1.600 1.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.23175E-02 ppm1 7.930 ppm2 1.824 CV 1 OR { 210} (( segid " " and resid 412 and name H )) (( segid " " and resid 409 and name HB3 )) OR { 210} (( segid " " and resid 412 and name H )) (( segid " " and resid 408 and name HB2 )) OR { 210} (( segid " " and resid 412 and name H )) (( segid " " and resid 414 and name HB2 )) ASSI { 221} (( segid " " and resid 444 and name H )) (( segid " " and resid 443 and name HB3 )) 2.300 0.600 0.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.40848E-02 ppm1 7.279 ppm2 1.685 CV 1 OR { 221} (( segid " " and resid 444 and name H )) (( segid " " and resid 444 and name HG3 )) OR { 221} (( segid " " and resid 444 and name H )) (( segid " " and resid 443 and name HB2 )) ASSI { 225} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HB2 )) 2.800 1.000 1.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.30820E-02 ppm1 7.494 ppm2 1.854 CV 1 OR { 225} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HB3 )) ASSI { 226} (( segid " " and resid 445 and name H )) (( segid " " and resid 445 and name HA )) 2.900 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 7.493 ppm2 4.146 CV 1 OR { 226} (( segid " " and resid 445 and name H )) (( segid " " and resid 444 and name HA )) ASSI { 228} (( segid " " and resid 443 and name H )) (( segid " " and resid 443 and name HA )) 2.700 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 7.866 ppm2 3.982 CV 1 OR { 228} (( segid " " and resid 443 and name H )) (( segid " " and resid 442 and name HA )) ASSI { 247} (( segid " " and resid 440 and name H )) (( segid " " and resid 439 and name HA )) 3.100 1.200 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 8.149 ppm2 3.915 CV 1 OR { 247} (( segid " " and resid 440 and name H )) (( segid " " and resid 436 and name HA )) ASSI { 248} (( segid " " and resid 440 and name H )) (( segid " " and resid 440 and name HA )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 8.150 ppm2 3.729 CV 1 OR { 248} (( segid " " and resid 440 and name H )) (( segid " " and resid 437 and name HA )) ASSI { 252} (( segid " " and resid 439 and name H )) (( segid " " and resid 439 and name HA )) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 8.665 ppm2 3.914 CV 1 OR { 252} (( segid " " and resid 439 and name H )) (( segid " " and resid 436 and name HA )) ASSI { 259} (( segid " " and resid 438 and name H )) (( segid " " and resid 438 and name HA )) 2.900 1.100 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 7.786 ppm2 4.079 CV 1 OR { 259} (( segid " " and resid 438 and name H )) (( segid " " and resid 437 and name HB )) ASSI { 260} (( segid " " and resid 438 and name H )) (( segid " " and resid 437 and name HA )) 3.400 1.400 1.400 peak 260 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 7.787 ppm2 3.672 CV 1 OR { 260} (( segid " " and resid 438 and name H )) (( segid " " and resid 435 and name HA )) ASSI { 263} (( segid " " and resid 437 and name H )) (( segid " " and resid 436 and name HA )) 3.100 1.200 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.28361E-02 ppm1 8.836 ppm2 3.936 CV 1 OR { 263} (( segid " " and resid 437 and name H )) (( segid " " and resid 434 and name HA )) ASSI { 268} (( segid " " and resid 437 and name H )) (( segid " " and resid 435 and name H )) 3.500 1.500 1.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 8.831 ppm2 8.139 CV 1 OR { 268} (( segid " " and resid 437 and name H )) (( segid " " and resid 440 and name H )) ASSI { 269} (( segid " " and resid 437 and name H )) (( segid " " and resid 438 and name H )) 2.600 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.36906E-02 ppm1 8.832 ppm2 7.786 CV 1 OR { 269} (( segid " " and resid 437 and name H )) (( segid " " and resid 433 and name HE22)) ASSI { 271} (( segid " " and resid 436 and name H )) (( segid " " and resid 436 and name HA )) 2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 8.462 ppm2 3.920 CV 1 OR { 271} (( segid " " and resid 436 and name H )) (( segid " " and resid 433 and name HA )) ASSI { 276} (( segid " " and resid 435 and name H )) (( segid " " and resid 435 and name HB )) 2.300 0.600 0.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.50741E-02 ppm1 8.120 ppm2 1.973 CV 1 OR { 276} (( segid " " and resid 435 and name H )) (( segid " " and resid 434 and name HB2 )) ASSI { 283} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HB3 )) 2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.35107E-02 ppm1 8.304 ppm2 1.950 CV 1 OR { 283} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HB2 )) OR { 283} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HB2 )) ASSI { 284} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HB3 )) 3.100 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.36483E-02 ppm1 8.311 ppm2 1.894 CV 1 OR { 284} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HB2 )) ASSI { 286} (( segid " " and resid 434 and name H )) (( segid " " and resid 434 and name HA )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 8.318 ppm2 3.944 CV 1 OR { 286} (( segid " " and resid 434 and name H )) (( segid " " and resid 433 and name HA )) ASSI { 291} (( segid " " and resid 433 and name H )) (( segid " " and resid 433 and name HA )) 2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 7.928 ppm2 3.926 CV 1 OR { 291} (( segid " " and resid 433 and name H )) (( segid " " and resid 430 and name HA )) ASSI { 292} (( segid " " and resid 433 and name H )) (( segid " " and resid 433 and name HB2 )) 2.500 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.36032E-02 ppm1 7.927 ppm2 1.888 CV 1 OR { 292} (( segid " " and resid 433 and name H )) (( segid " " and resid 432 and name HB )) ASSI { 310} (( segid " " and resid 430 and name H )) (( segid " " and resid 82 and name HH )) 4.400 2.400 1.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.65874E-03 ppm1 7.764 ppm2 10.814 CV 1 OR { 310} (( segid " " and resid 430 and name H )) (( segid " " and resid 430 and name HE1 )) ASSI { 315} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name H )) 2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.32620E-02 ppm1 8.096 ppm2 7.765 CV 1 OR { 315} (( segid " " and resid 429 and name H )) (( segid " " and resid 430 and name H )) ASSI { 317} (( segid " " and resid 429 and name H )) (( segid " " and resid 429 and name HA )) 2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 8.094 ppm2 3.731 CV 1 OR { 317} (( segid " " and resid 429 and name H )) (( segid " " and resid 426 and name HA )) ASSI { 318} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HB2 )) 2.300 0.700 0.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.37938E-02 ppm1 8.096 ppm2 1.929 CV 1 OR { 318} (( segid " " and resid 429 and name H )) (( segid " " and resid 428 and name HB3 )) OR { 318} (( segid " " and resid 429 and name H )) (( segid " " and resid 429 and name HB2 )) ASSI { 324} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name HA )) 2.800 1.000 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.37408E-02 ppm1 7.768 ppm2 3.928 CV 1 OR { 324} (( segid " " and resid 428 and name H )) (( segid " " and resid 425 and name HA )) ASSI { 325} (( segid " " and resid 428 and name H )) (( segid " " and resid 429 and name H )) 2.400 0.700 0.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.35820E-02 ppm1 7.767 ppm2 8.049 CV 1 OR { 325} (( segid " " and resid 428 and name H )) (( segid " " and resid 427 and name H )) ASSI { 338} (( segid " " and resid 425 and name H )) (( segid " " and resid 422 and name H )) 4.000 2.000 2.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.78308E-03 ppm1 7.730 ppm2 8.671 CV 1 OR { 338} (( segid " " and resid 425 and name H )) (( segid " " and resid 423 and name H )) ASSI { 339} (( segid " " and resid 425 and name H )) (( segid " " and resid 424 and name H )) 2.400 0.700 0.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.39709E-02 ppm1 7.731 ppm2 8.141 CV 1 OR { 339} (( segid " " and resid 425 and name H )) (( segid " " and resid 426 and name H )) ASSI { 367} (( segid " " and resid 420 and name H )) (( segid " " and resid 420 and name HA )) 3.000 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 7.536 ppm2 3.976 CV 1 OR { 367} (( segid " " and resid 420 and name H )) (( segid " " and resid 419 and name HA2 )) ASSI { 380} (( segid " " and resid 419 and name H )) (( segid " " and resid 419 and name HA2 )) 2.700 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.32594E-02 ppm1 7.877 ppm2 3.976 CV 1 OR { 380} (( segid " " and resid 419 and name H )) (( segid " " and resid 418 and name HA2 )) ASSI { 392} (( segid " " and resid 417 and name H )) (( segid " " and resid 416 and name H )) 2.800 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 7.642 ppm2 7.824 CV 1 OR { 392} (( segid " " and resid 417 and name H )) (( segid " " and resid 415 and name H )) ASSI { 400} (( segid " " and resid 404 and name H )) (( segid " " and resid 404 and name HB3 )) 2.500 0.800 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.36085E-02 ppm1 7.800 ppm2 1.860 CV 1 OR { 400} (( segid " " and resid 404 and name H )) (( segid " " and resid 403 and name HB2 )) OR { 400} (( segid " " and resid 404 and name H )) (( segid " " and resid 403 and name HB3 )) ASSI { 452} (( segid " " and resid 409 and name H )) (( segid " " and resid 408 and name H )) 2.600 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.26562E-02 ppm1 8.713 ppm2 7.649 CV 1 OR { 452} (( segid " " and resid 409 and name H )) (( segid " " and resid 411 and name H )) ASSI { 453} (( segid " " and resid 408 and name H )) (( segid " " and resid 405 and name HA )) 3.200 1.300 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.13995E-02 ppm1 7.660 ppm2 4.172 CV 1 OR { 453} (( segid " " and resid 408 and name H )) (( segid " " and resid 407 and name HA )) ASSI { 498} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HA )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 7.759 ppm2 4.068 CV 1 OR { 498} (( segid " " and resid 401 and name H )) (( segid " " and resid 400 and name HA )) ASSI { 500} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HB2 )) 2.400 0.700 0.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.45927E-02 ppm1 7.758 ppm2 2.077 CV 1 OR { 500} (( segid " " and resid 401 and name H )) (( segid " " and resid 400 and name HB2 )) OR { 500} (( segid " " and resid 401 and name H )) (( segid " " and resid 401 and name HB3 )) ASSI { 1} (( segid " " and resid 91 and name H )) ( segid " " and resid 91 and name HD1%) 4.000 2.000 2.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 8.485 ppm2 0.691 CV 1 OR { 1} (( segid " " and resid 91 and name H )) (( segid " " and resid 90 and name HB2 )) OR { 1} (( segid " " and resid 91 and name H )) ( segid " " and resid 20 and name HG2%) OR { 1} (( segid " " and resid 91 and name H )) ( segid " " and resid 124 and name HD1%) OR { 1} (( segid " " and resid 91 and name H )) ( segid " " and resid 124 and name HD2%) ASSI { 2} (( segid " " and resid 91 and name H )) ( segid " " and resid 126 and name HG2%) 4.000 2.000 2.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 8.480 ppm2 0.528 CV 1 OR { 2} (( segid " " and resid 91 and name H )) ( segid " " and resid 123 and name HD2%) OR { 2} (( segid " " and resid 91 and name H )) ( segid " " and resid 92 and name HG2%) OR { 2} (( segid " " and resid 91 and name H )) ( segid " " and resid 172 and name HD2%) ASSI { 6} (( segid " " and resid 30 and name H )) (( segid " " and resid 30 and name HG )) 2.700 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.32205E-02 ppm1 8.662 ppm2 1.862 CV 1 OR { 6} (( segid " " and resid 30 and name H )) ( segid " " and resid 19 and name HE% ) ASSI { 7} (( segid " " and resid 29 and name H )) (( segid " " and resid 30 and name HG )) 4.600 2.600 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.53391E-03 ppm1 9.406 ppm2 1.854 CV 1 OR { 7} (( segid " " and resid 29 and name H )) (( segid " " and resid 32 and name HB2 )) ASSI { 8} (( segid " " and resid 29 and name H )) ( segid " " and resid 30 and name HD1%) 4.700 2.700 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.63630E-03 ppm1 9.405 ppm2 0.754 CV 1 OR { 8} (( segid " " and resid 29 and name H )) ( segid " " and resid 40 and name HG1%) OR { 8} (( segid " " and resid 29 and name H )) ( segid " " and resid 40 and name HG2%) OR { 8} (( segid " " and resid 29 and name H )) ( segid " " and resid 46 and name HG2%) ASSI { 10} (( segid " " and resid 17 and name H )) (( segid " " and resid 430 and name HZ3 )) 4.000 2.000 2.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 9.668 ppm2 6.748 CV 1 OR { 10} (( segid " " and resid 17 and name H )) ( segid " " and resid 169 and name HD% ) OR { 10} (( segid " " and resid 17 and name H )) ( segid " " and resid 169 and name HE% ) ASSI { 13} (( segid " " and resid 150 and name HE1 )) (( segid " " and resid 146 and name HG2 )) 2.500 2.500 3.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.92154E-03 ppm1 9.823 ppm2 0.476 CV 1 OR { 13} (( segid " " and resid 150 and name HE1 )) (( segid " " and resid 108 and name HG3 )) ASSI { 18} (( segid " " and resid 182 and name H )) (( segid " " and resid 180 and name HB3 )) 3.100 1.200 1.200 peak 18 spectrum 1 weight 0.10000E+01 volume 0.29987E-03 ppm1 7.729 ppm2 1.841 CV 1 OR { 18} (( segid " " and resid 182 and name H )) (( segid " " and resid 179 and name HB3 )) OR { 18} (( segid " " and resid 182 and name H )) (( segid " " and resid 180 and name HB2 )) ASSI { 19} (( segid " " and resid 180 and name H )) (( segid " " and resid 179 and name HB2 )) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.13531E-02 ppm1 8.445 ppm2 2.108 CV 1 OR { 19} (( segid " " and resid 180 and name H )) ( segid " " and resid 181 and name HE% ) OR { 19} (( segid " " and resid 180 and name H )) (( segid " " and resid 181 and name HB3 )) ASSI { 20} (( segid " " and resid 180 and name H )) ( segid " " and resid 176 and name HG2%) 4.100 2.100 1.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.93130E-03 ppm1 8.449 ppm2 0.853 CV 1 OR { 20} (( segid " " and resid 180 and name H )) ( segid " " and resid 12 and name HD2%) ASSI { 24} (( segid " " and resid 178 and name H )) (( segid " " and resid 177 and name HB2 )) 2.900 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.25793E-02 ppm1 8.182 ppm2 2.095 CV 1 OR { 24} (( segid " " and resid 178 and name H )) (( segid " " and resid 177 and name HB3 )) OR { 24} (( segid " " and resid 178 and name H )) (( segid " " and resid 179 and name HB2 )) ASSI { 25} (( segid " " and resid 178 and name H )) (( segid " " and resid 177 and name HG3 )) 3.700 1.700 1.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.15140E-02 ppm1 8.179 ppm2 1.835 CV 1 OR { 25} (( segid " " and resid 178 and name H )) (( segid " " and resid 179 and name HB3 )) OR { 25} (( segid " " and resid 178 and name H )) (( segid " " and resid 180 and name HB2 )) ASSI { 27} (( segid " " and resid 178 and name H )) (( segid " " and resid 177 and name HG2 )) 4.100 2.100 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10459E-02 ppm1 8.182 ppm2 1.416 CV 1 OR { 27} (( segid " " and resid 178 and name H )) (( segid " " and resid 179 and name HG3 )) ASSI { 28} (( segid " " and resid 178 and name H )) ( segid " " and resid 176 and name HG2%) 4.100 2.200 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 8.191 ppm2 0.859 CV 1 OR { 28} (( segid " " and resid 178 and name H )) ( segid " " and resid 12 and name HD2%) ASSI { 30} (( segid " " and resid 177 and name H )) (( segid " " and resid 179 and name HD3 )) 3.400 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.22429E-02 ppm1 8.602 ppm2 1.592 CV 1 OR { 30} (( segid " " and resid 177 and name H )) (( segid " " and resid 179 and name HD2 )) OR { 30} (( segid " " and resid 177 and name H )) (( segid " " and resid 180 and name HD3 )) OR { 30} (( segid " " and resid 177 and name H )) (( segid " " and resid 180 and name HD2 )) ASSI { 31} (( segid " " and resid 177 and name H )) (( segid " " and resid 176 and name HB )) 2.800 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.21479E-02 ppm1 8.603 ppm2 1.427 CV 1 OR { 31} (( segid " " and resid 177 and name H )) (( segid " " and resid 177 and name HG2 )) ASSI { 32} (( segid " " and resid 177 and name H )) ( segid " " and resid 176 and name HG2%) 3.700 1.700 1.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.12799E-02 ppm1 8.602 ppm2 0.855 CV 1 OR { 32} (( segid " " and resid 177 and name H )) ( segid " " and resid 12 and name HD2%) ASSI { 37} (( segid " " and resid 165 and name H )) (( segid " " and resid 167 and name H )) 3.900 1.900 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.82891E-03 ppm1 7.281 ppm2 7.655 CV 1 OR { 37} (( segid " " and resid 165 and name H )) (( segid " " and resid 162 and name H )) ASSI { 44} (( segid " " and resid 152 and name H )) (( segid " " and resid 148 and name HB3 )) 2.700 2.700 3.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.60461E-03 ppm1 8.228 ppm2 2.084 CV 1 OR { 44} (( segid " " and resid 152 and name H )) (( segid " " and resid 149 and name HB3 )) OR { 44} (( segid " " and resid 152 and name H )) (( segid " " and resid 149 and name HB2 )) ASSI { 50} (( segid " " and resid 140 and name H )) (( segid " " and resid 141 and name HA )) 4.900 3.000 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.53147E-03 ppm1 8.763 ppm2 3.783 CV 1 OR { 50} (( segid " " and resid 140 and name H )) (( segid " " and resid 139 and name HD2 )) ASSI { 55} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HG2 )) 3.700 1.700 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.17334E-02 ppm1 7.132 ppm2 2.446 CV 1 OR { 55} (( segid " " and resid 138 and name H )) (( segid " " and resid 139 and name HB3 )) ASSI { 56} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HB3 )) 3.600 1.600 1.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.15627E-02 ppm1 7.150 ppm2 1.512 CV 1 OR { 56} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HB2 )) OR { 56} (( segid " " and resid 138 and name H )) (( segid " " and resid 136 and name HB3 )) ASSI { 57} (( segid " " and resid 138 and name H )) (( segid " " and resid 98 and name HD2 )) 3.600 1.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.14652E-02 ppm1 7.138 ppm2 7.404 CV 1 OR { 57} (( segid " " and resid 138 and name H )) ( segid " " and resid 93 and name HE% ) ASSI { 59} (( segid " " and resid 126 and name H )) (( segid " " and resid 127 and name H )) 4.600 2.700 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.43882E-03 ppm1 9.137 ppm2 8.287 CV 1 OR { 59} (( segid " " and resid 126 and name H )) (( segid " " and resid 125 and name H )) ASSI { 63} (( segid " " and resid 125 and name H )) ( segid " " and resid 154 and name HD% ) 4.100 2.100 1.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 8.304 ppm2 6.874 CV 1 OR { 63} (( segid " " and resid 125 and name H )) (( segid " " and resid 150 and name HE3 )) OR { 63} (( segid " " and resid 125 and name H )) (( segid " " and resid 150 and name HH2 )) ASSI { 64} (( segid " " and resid 125 and name H )) (( segid " " and resid 124 and name HG )) 2.900 1.100 1.100 peak 64 spectrum 1 weight 0.10000E+01 volume 0.46639E-02 ppm1 8.295 ppm2 1.635 CV 1 OR { 64} (( segid " " and resid 125 and name H )) (( segid " " and resid 123 and name HB2 )) OR { 64} (( segid " " and resid 125 and name H )) (( segid " " and resid 91 and name HG )) ASSI { 66} (( segid " " and resid 125 and name H )) ( segid " " and resid 124 and name HD1%) 2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.44126E-02 ppm1 8.300 ppm2 0.685 CV 1 OR { 66} (( segid " " and resid 125 and name H )) ( segid " " and resid 124 and name HD2%) OR { 66} (( segid " " and resid 125 and name H )) ( segid " " and resid 91 and name HD1%) ASSI { 68} (( segid " " and resid 114 and name H )) (( segid " " and resid 115 and name HG2 )) 4.300 2.300 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.69483E-03 ppm1 7.723 ppm2 1.498 CV 1 OR { 68} (( segid " " and resid 114 and name H )) (( segid " " and resid 113 and name HG2 )) OR { 68} (( segid " " and resid 114 and name H )) (( segid " " and resid 112 and name HB3 )) ASSI { 70} (( segid " " and resid 92 and name H )) ( segid " " and resid 19 and name HE% ) 3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.82891E-03 ppm1 9.181 ppm2 1.830 CV 1 OR { 70} (( segid " " and resid 92 and name H )) (( segid " " and resid 25 and name HB )) ASSI { 71} (( segid " " and resid 92 and name H )) (( segid " " and resid 92 and name HB )) 3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.21162E-02 ppm1 9.197 ppm2 1.618 CV 1 OR { 71} (( segid " " and resid 92 and name H )) (( segid " " and resid 91 and name HG )) ASSI { 72} (( segid " " and resid 92 and name H )) ( segid " " and resid 92 and name HG1%) 3.200 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.39226E-02 ppm1 9.198 ppm2 0.709 CV 1 OR { 72} (( segid " " and resid 92 and name H )) ( segid " " and resid 91 and name HD1%) OR { 72} (( segid " " and resid 92 and name H )) ( segid " " and resid 91 and name HD2%) ASSI { 73} (( segid " " and resid 62 and name H )) (( segid " " and resid 60 and name HG3 )) 4.200 2.200 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.41201E-03 ppm1 9.020 ppm2 2.154 CV 1 OR { 73} (( segid " " and resid 62 and name H )) (( segid " " and resid 55 and name HB )) ASSI { 74} (( segid " " and resid 56 and name H )) (( segid " " and resid 56 and name HB )) 2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.76600E-02 ppm1 8.237 ppm2 1.847 CV 1 OR { 74} (( segid " " and resid 56 and name H )) (( segid " " and resid 62 and name HB )) ASSI { 75} (( segid " " and resid 56 and name H )) (( segid " " and resid 57 and name H )) 4.100 2.100 1.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.10044E-02 ppm1 8.235 ppm2 9.066 CV 1 OR { 75} (( segid " " and resid 56 and name H )) (( segid " " and resid 62 and name H )) ASSI { 76} (( segid " " and resid 56 and name H )) ( segid " " and resid 55 and name HG2%) 3.400 1.400 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.41737E-02 ppm1 8.243 ppm2 0.580 CV 1 OR { 76} (( segid " " and resid 56 and name H )) ( segid " " and resid 56 and name HG2%) ASSI { 77} (( segid " " and resid 56 and name H )) ( segid " " and resid 56 and name HG1%) 2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.80088E-02 ppm1 8.239 ppm2 0.778 CV 1 OR { 77} (( segid " " and resid 56 and name H )) ( segid " " and resid 55 and name HG1%) ASSI { 78} (( segid " " and resid 55 and name H )) (( segid " " and resid 62 and name HB )) 3.200 1.300 1.300 peak 78 spectrum 1 weight 0.10000E+01 volume 0.22113E-02 ppm1 8.911 ppm2 1.841 CV 1 OR { 78} (( segid " " and resid 55 and name H )) (( segid " " and resid 56 and name HB )) OR { 78} (( segid " " and resid 55 and name H )) (( segid " " and resid 61 and name HB3 )) OR { 78} (( segid " " and resid 55 and name H )) (( segid " " and resid 63 and name HG2 )) OR { 78} (( segid " " and resid 55 and name H )) (( segid " " and resid 63 and name HB3 )) ASSI { 79} (( segid " " and resid 55 and name H )) (( segid " " and resid 54 and name HB3 )) 3.800 1.800 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.28231E-02 ppm1 8.910 ppm2 1.577 CV 1 OR { 79} (( segid " " and resid 55 and name H )) (( segid " " and resid 54 and name HD2 )) OR { 79} (( segid " " and resid 55 and name H )) ( segid " " and resid 173 and name HE% ) OR { 79} (( segid " " and resid 55 and name H )) (( segid " " and resid 54 and name HD3 )) ASSI { 81} (( segid " " and resid 55 and name H )) (( segid " " and resid 54 and name HG3 )) 3.400 1.400 1.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 8.916 ppm2 1.198 CV 1 OR { 81} (( segid " " and resid 55 and name H )) (( segid " " and resid 53 and name HG3 )) ASSI { 83} (( segid " " and resid 40 and name H )) ( segid " " and resid 39 and name HE% ) 3.900 1.900 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 7.403 ppm2 6.376 CV 1 OR { 83} (( segid " " and resid 40 and name H )) (( segid " " and resid 33 and name HE22)) ASSI { 84} (( segid " " and resid 20 and name H )) (( segid " " and resid 90 and name H )) 3.600 1.600 1.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.13019E-02 ppm1 9.023 ppm2 8.482 CV 1 OR { 84} (( segid " " and resid 20 and name H )) (( segid " " and resid 19 and name H )) ASSI { 85} (( segid " " and resid 20 and name H )) (( segid " " and resid 19 and name HB3 )) 3.400 1.500 1.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.17578E-02 ppm1 9.020 ppm2 2.385 CV 1 OR { 85} (( segid " " and resid 20 and name H )) (( segid " " and resid 89 and name HB3 )) ASSI { 88} (( segid " " and resid 151 and name H )) (( segid " " and resid 149 and name HB3 )) 3.000 3.000 3.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.31205E-03 ppm1 8.243 ppm2 2.056 CV 1 OR { 88} (( segid " " and resid 151 and name H )) (( segid " " and resid 148 and name HB3 )) OR { 88} (( segid " " and resid 151 and name H )) (( segid " " and resid 148 and name HB2 )) OR { 88} (( segid " " and resid 151 and name H )) (( segid " " and resid 149 and name HG2 )) ASSI { 93} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name HB )) 3.700 1.700 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17383E-02 ppm1 8.258 ppm2 1.726 CV 1 OR { 93} (( segid " " and resid 127 and name H )) (( segid " " and resid 156 and name HB3 )) OR { 93} (( segid " " and resid 127 and name H )) (( segid " " and resid 156 and name HB2 )) ASSI { 94} (( segid " " and resid 127 and name H )) ( segid " " and resid 125 and name HG1%) 3.400 1.400 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 8.262 ppm2 1.392 CV 1 OR { 94} (( segid " " and resid 127 and name H )) (( segid " " and resid 155 and name HB )) ASSI { 95} (( segid " " and resid 127 and name H )) ( segid " " and resid 126 and name HG1%) 2.500 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.78479E-02 ppm1 8.261 ppm2 0.665 CV 1 OR { 95} (( segid " " and resid 127 and name H )) ( segid " " and resid 168 and name HG1%) ASSI { 96} (( segid " " and resid 88 and name H )) ( segid " " and resid 176 and name HD1%) 3.100 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.31011E-02 ppm1 7.550 ppm2 0.570 CV 1 OR { 96} (( segid " " and resid 88 and name H )) ( segid " " and resid 172 and name HD2%) OR { 96} (( segid " " and resid 88 and name H )) ( segid " " and resid 172 and name HD1%) ASSI { 97} (( segid " " and resid 88 and name H )) (( segid " " and resid 16 and name HB3 )) 3.400 1.400 1.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.19504E-02 ppm1 7.559 ppm2 1.354 CV 1 OR { 97} (( segid " " and resid 88 and name H )) (( segid " " and resid 176 and name HB )) OR { 97} (( segid " " and resid 88 and name H )) (( segid " " and resid 172 and name HB3 )) ASSI { 100} (( segid " " and resid 86 and name H )) (( segid " " and resid 85 and name H )) 2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.20138E-02 ppm1 7.846 ppm2 7.601 CV 1 OR { 100} (( segid " " and resid 86 and name H )) (( segid " " and resid 88 and name H )) ASSI { 103} (( segid " " and resid 59 and name H )) (( segid " " and resid 57 and name HA )) 5.100 3.300 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.33887E-03 ppm1 7.974 ppm2 4.560 CV 1 OR { 103} (( segid " " and resid 59 and name H )) (( segid " " and resid 60 and name HA )) OR { 103} (( segid " " and resid 59 and name H )) (( segid " " and resid 61 and name HA )) ASSI { 106} (( segid " " and resid 59 and name H )) (( segid " " and resid 56 and name HB )) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.40957E-03 ppm1 7.980 ppm2 1.784 CV 1 OR { 106} (( segid " " and resid 59 and name H )) (( segid " " and resid 60 and name HB2 )) ASSI { 109} (( segid " " and resid 26 and name H )) (( segid " " and resid 94 and name HB2 )) 3.800 3.800 2.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16651E-02 ppm1 8.227 ppm2 3.491 CV 1 OR { 109} (( segid " " and resid 26 and name H )) (( segid " " and resid 93 and name HB2 )) ASSI { 119} (( segid " " and resid 159 and name H )) (( segid " " and resid 162 and name H )) 3.900 1.900 1.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.90449E-03 ppm1 9.020 ppm2 7.578 CV 1 OR { 119} (( segid " " and resid 159 and name H )) (( segid " " and resid 163 and name H )) ASSI { 120} (( segid " " and resid 147 and name H )) (( segid " " and resid 146 and name HD3 )) 4.400 2.400 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14530E-02 ppm1 7.749 ppm2 1.009 CV 1 OR { 120} (( segid " " and resid 147 and name H )) ( segid " " and resid 152 and name HG2%) ASSI { 122} (( segid " " and resid 147 and name H )) (( segid " " and resid 145 and name HA )) 3.800 1.800 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.15384E-02 ppm1 7.741 ppm2 4.069 CV 1 OR { 122} (( segid " " and resid 147 and name H )) (( segid " " and resid 148 and name HA )) ASSI { 127} (( segid " " and resid 143 and name H )) (( segid " " and resid 142 and name HA )) 3.400 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 6.693 ppm2 3.808 CV 1 OR { 127} (( segid " " and resid 143 and name H )) (( segid " " and resid 141 and name HA )) ASSI { 129} (( segid " " and resid 143 and name H )) (( segid " " and resid 141 and name H )) 4.100 2.100 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.50709E-03 ppm1 6.688 ppm2 8.830 CV 1 OR { 129} (( segid " " and resid 143 and name H )) (( segid " " and resid 140 and name H )) ASSI { 131} (( segid " " and resid 116 and name H )) (( segid " " and resid 118 and name HG2 )) 4.700 2.800 1.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.32425E-03 ppm1 7.008 ppm2 2.203 CV 1 OR { 131} (( segid " " and resid 116 and name H )) (( segid " " and resid 117 and name HG2 )) OR { 131} (( segid " " and resid 116 and name H )) (( segid " " and resid 118 and name HG3 )) ASSI { 132} (( segid " " and resid 116 and name H )) (( segid " " and resid 115 and name HB3 )) 4.200 2.200 1.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.45103E-03 ppm1 7.013 ppm2 1.935 CV 1 OR { 132} (( segid " " and resid 116 and name H )) (( segid " " and resid 117 and name HB3 )) OR { 132} (( segid " " and resid 116 and name H )) (( segid " " and resid 118 and name HB3 )) ASSI { 133} (( segid " " and resid 116 and name H )) (( segid " " and resid 115 and name HG3 )) 5.300 3.500 0.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.20723E-03 ppm1 7.016 ppm2 1.216 CV 1 OR { 133} (( segid " " and resid 116 and name H )) (( segid " " and resid 121 and name HG13)) ASSI { 134} (( segid " " and resid 105 and name H )) (( segid " " and resid 108 and name HB2 )) 4.900 3.000 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.37788E-03 ppm1 7.033 ppm2 0.786 CV 1 OR { 134} (( segid " " and resid 105 and name H )) ( segid " " and resid 91 and name HD2%) OR { 134} (( segid " " and resid 105 and name H )) (( segid " " and resid 108 and name HB3 )) OR { 134} (( segid " " and resid 105 and name H )) ( segid " " and resid 91 and name HD1%) ASSI { 145} (( segid " " and resid 13 and name H )) ( segid " " and resid 12 and name HD2%) 4.100 2.100 1.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.13165E-02 ppm1 8.000 ppm2 0.848 CV 1 OR { 145} (( segid " " and resid 13 and name H )) ( segid " " and resid 62 and name HG2%) ASSI { 149} (( segid " " and resid 111 and name H )) ( segid " " and resid 121 and name HG2%) 4.400 2.400 1.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 7.768 ppm2 0.741 CV 1 OR { 149} (( segid " " and resid 111 and name H )) ( segid " " and resid 121 and name HD1%) OR { 149} (( segid " " and resid 111 and name H )) ( segid " " and resid 20 and name HG2%) ASSI { 150} (( segid " " and resid 95 and name H )) (( segid " " and resid 95 and name HG13)) 3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 8.829 ppm2 1.012 CV 1 OR { 150} (( segid " " and resid 95 and name H )) ( segid " " and resid 96 and name HG2%) ASSI { 151} (( segid " " and resid 95 and name H )) (( segid " " and resid 94 and name HB3 )) 3.500 1.500 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.34058E-02 ppm1 8.829 ppm2 3.741 CV 1 OR { 151} (( segid " " and resid 95 and name H )) (( segid " " and resid 130 and name HA )) ASSI { 152} (( segid " " and resid 95 and name H )) (( segid " " and resid 94 and name HB2 )) 3.400 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.33863E-02 ppm1 8.833 ppm2 3.511 CV 1 OR { 152} (( segid " " and resid 95 and name H )) (( segid " " and resid 136 and name HA )) OR { 152} (( segid " " and resid 95 and name H )) (( segid " " and resid 130 and name HB2 )) ASSI { 155} (( segid " " and resid 32 and name H )) ( segid " " and resid 32 and name HD2%) 3.500 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.30816E-02 ppm1 9.065 ppm2 0.753 CV 1 OR { 155} (( segid " " and resid 32 and name H )) ( segid " " and resid 32 and name HD1%) OR { 155} (( segid " " and resid 64 and name H )) ( segid " " and resid 64 and name HD1%) ASSI { 161} (( segid " " and resid 169 and name H )) (( segid " " and resid 167 and name HB3 )) 3.800 1.800 1.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 6.632 ppm2 1.499 CV 1 OR { 161} (( segid " " and resid 169 and name H )) ( segid " " and resid 173 and name HE% ) ASSI { 166} (( segid " " and resid 164 and name H )) ( segid " " and resid 165 and name HG2%) 4.600 2.700 1.400 peak 166 spectrum 1 weight 0.10000E+01 volume 0.70214E-03 ppm1 8.945 ppm2 0.682 CV 1 OR { 166} (( segid " " and resid 164 and name H )) ( segid " " and resid 157 and name HG2%) ASSI { 173} (( segid " " and resid 158 and name H )) ( segid " " and resid 165 and name HG2%) 3.400 1.400 1.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.24720E-02 ppm1 8.036 ppm2 0.711 CV 1 OR { 173} (( segid " " and resid 158 and name H )) ( segid " " and resid 157 and name HG2%) ASSI { 175} (( segid " " and resid 158 and name H )) (( segid " " and resid 157 and name HB )) 2.800 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.22795E-02 ppm1 8.034 ppm2 3.887 CV 1 OR { 175} (( segid " " and resid 158 and name H )) (( segid " " and resid 158 and name HB3 )) ASSI { 176} (( segid " " and resid 157 and name H )) ( segid " " and resid 157 and name HG2%) 2.900 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.33132E-02 ppm1 8.827 ppm2 0.674 CV 1 OR { 176} (( segid " " and resid 157 and name H )) ( segid " " and resid 126 and name HG1%) OR { 176} (( segid " " and resid 157 and name H )) ( segid " " and resid 155 and name HG1%) ASSI { 177} (( segid " " and resid 141 and name H )) (( segid " " and resid 141 and name HG2 )) 3.300 1.400 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.30622E-02 ppm1 8.807 ppm2 2.197 CV 1 OR { 177} (( segid " " and resid 141 and name H )) (( segid " " and resid 141 and name HG3 )) OR { 177} (( segid " " and resid 157 and name H )) (( segid " " and resid 156 and name HG2 )) OR { 177} (( segid " " and resid 157 and name H )) (( segid " " and resid 156 and name HG3 )) ASSI { 186} (( segid " " and resid 153 and name H )) (( segid " " and resid 124 and name HB2 )) 4.100 2.100 1.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.85085E-03 ppm1 8.796 ppm2 1.368 CV 1 OR { 186} (( segid " " and resid 153 and name H )) ( segid " " and resid 147 and name HB% ) ASSI { 192} (( segid " " and resid 149 and name H )) (( segid " " and resid 148 and name H )) 2.500 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.34570E-02 ppm1 7.733 ppm2 8.188 CV 1 OR { 192} (( segid " " and resid 149 and name H )) (( segid " " and resid 151 and name H )) ASSI { 194} (( segid " " and resid 149 and name H )) (( segid " " and resid 148 and name HG3 )) 4.000 2.000 2.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.25404E-02 ppm1 7.734 ppm2 2.351 CV 1 OR { 194} (( segid " " and resid 149 and name H )) (( segid " " and resid 149 and name HG3 )) ASSI { 195} (( segid " " and resid 149 and name H )) (( segid " " and resid 149 and name HB3 )) 2.100 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.12448E-01 ppm1 7.731 ppm2 2.045 CV 1 OR { 195} (( segid " " and resid 149 and name H )) (( segid " " and resid 149 and name HB2 )) OR { 195} (( segid " " and resid 149 and name H )) (( segid " " and resid 148 and name HB3 )) OR { 195} (( segid " " and resid 149 and name H )) (( segid " " and resid 148 and name HB2 )) ASSI { 196} (( segid " " and resid 149 and name H )) (( segid " " and resid 146 and name HD3 )) 4.300 2.300 1.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.12604E-02 ppm1 7.735 ppm2 0.996 CV 1 OR { 196} (( segid " " and resid 149 and name H )) ( segid " " and resid 152 and name HG2%) OR { 196} (( segid " " and resid 149 and name H )) (( segid " " and resid 146 and name HD2 )) ASSI { 202} (( segid " " and resid 145 and name H )) (( segid " " and resid 143 and name H )) 4.000 2.000 2.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.54122E-03 ppm1 7.655 ppm2 6.705 CV 1 OR { 202} (( segid " " and resid 145 and name H )) ( segid " " and resid 101 and name HE% ) ASSI { 203} (( segid " " and resid 145 and name H )) (( segid " " and resid 144 and name HA )) 3.500 1.500 1.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.93861E-03 ppm1 7.660 ppm2 3.534 CV 1 OR { 203} (( segid " " and resid 145 and name H )) (( segid " " and resid 143 and name HA )) ASSI { 205} (( segid " " and resid 145 and name H )) (( segid " " and resid 148 and name HB3 )) 5.000 3.100 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.35107E-03 ppm1 7.657 ppm2 2.049 CV 1 OR { 205} (( segid " " and resid 145 and name H )) (( segid " " and resid 148 and name HB2 )) OR { 205} (( segid " " and resid 145 and name H )) (( segid " " and resid 149 and name HB3 )) ASSI { 209} (( segid " " and resid 142 and name H )) (( segid " " and resid 140 and name HA )) 4.700 2.700 1.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.44126E-03 ppm1 6.964 ppm2 3.514 CV 1 OR { 209} (( segid " " and resid 142 and name H )) (( segid " " and resid 143 and name HA )) ASSI { 215} (( segid " " and resid 141 and name H )) (( segid " " and resid 141 and name HA )) 2.600 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.51295E-02 ppm1 8.802 ppm2 3.852 CV 1 OR { 215} (( segid " " and resid 157 and name H )) (( segid " " and resid 157 and name HB )) ASSI { 216} (( segid " " and resid 141 and name H )) (( segid " " and resid 140 and name HA )) 3.100 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.15554E-02 ppm1 8.799 ppm2 3.492 CV 1 OR { 216} (( segid " " and resid 141 and name H )) (( segid " " and resid 143 and name HA )) ASSI { 219} (( segid " " and resid 137 and name H )) (( segid " " and resid 95 and name HB )) 4.100 2.100 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.79966E-03 ppm1 9.531 ppm2 2.005 CV 1 OR { 219} (( segid " " and resid 137 and name H )) (( segid " " and resid 136 and name HB2 )) OR { 219} (( segid " " and resid 137 and name H )) (( segid " " and resid 138 and name HB )) ASSI { 220} (( segid " " and resid 137 and name H )) ( segid " " and resid 96 and name HG2%) 2.800 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.83622E-03 ppm1 9.518 ppm2 0.995 CV 1 OR { 220} (( segid " " and resid 137 and name H )) ( segid " " and resid 140 and name HG2%) ASSI { 223} (( segid " " and resid 134 and name H )) (( segid " " and resid 133 and name HB3 )) 3.800 1.800 1.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.81427E-03 ppm1 9.122 ppm2 1.832 CV 1 OR { 223} (( segid " " and resid 134 and name H )) (( segid " " and resid 132 and name HB3 )) ASSI { 229} (( segid " " and resid 133 and name H )) (( segid " " and resid 131 and name HA )) 4.300 2.300 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.47784E-03 ppm1 6.617 ppm2 4.484 CV 1 OR { 229} (( segid " " and resid 133 and name H )) (( segid " " and resid 135 and name HA )) OR { 229} (( segid " " and resid 133 and name H )) (( segid " " and resid 96 and name HA )) ASSI { 233} (( segid " " and resid 131 and name H )) (( segid " " and resid 160 and name HB3 )) 3.800 1.800 1.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.15652E-02 ppm1 8.655 ppm2 0.971 CV 1 OR { 233} (( segid " " and resid 131 and name H )) ( segid " " and resid 96 and name HG2%) ASSI { 235} (( segid " " and resid 130 and name H )) ( segid " " and resid 95 and name HD1%) 3.600 1.700 1.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.13775E-02 ppm1 9.156 ppm2 0.442 CV 1 OR { 235} (( segid " " and resid 130 and name H )) (( segid " " and resid 500 and name H1 )) ASSI { 236} (( segid " " and resid 130 and name H )) (( segid " " and resid 129 and name HD2 )) 4.300 2.300 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.10776E-02 ppm1 9.149 ppm2 0.793 CV 1 OR { 236} (( segid " " and resid 130 and name H )) ( segid " " and resid 95 and name HG2%) OR { 236} (( segid " " and resid 130 and name H )) (( segid " " and resid 129 and name HD3 )) ASSI { 237} (( segid " " and resid 130 and name H )) (( segid " " and resid 129 and name HB3 )) 4.200 2.200 1.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.82891E-03 ppm1 9.159 ppm2 1.469 CV 1 OR { 237} (( segid " " and resid 130 and name H )) (( segid " " and resid 132 and name HG )) ASSI { 238} (( segid " " and resid 130 and name H )) (( segid " " and resid 129 and name HB2 )) 4.200 2.200 1.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.86060E-03 ppm1 9.151 ppm2 2.590 CV 1 OR { 238} (( segid " " and resid 130 and name H )) (( segid " " and resid 131 and name HB2 )) OR { 238} (( segid " " and resid 130 and name H )) (( segid " " and resid 131 and name HB3 )) ASSI { 242} (( segid " " and resid 128 and name H )) ( segid " " and resid 95 and name HG2%) 3.100 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.36910E-02 ppm1 8.694 ppm2 0.751 CV 1 OR { 242} (( segid " " and resid 128 and name H )) ( segid " " and resid 30 and name HD1%) ASSI { 248} (( segid " " and resid 118 and name H )) (( segid " " and resid 115 and name HB2 )) 3.700 1.800 1.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.19065E-02 ppm1 7.917 ppm2 1.655 CV 1 OR { 248} (( segid " " and resid 34 and name H )) ( segid " " and resid 35 and name HE% ) OR { 248} (( segid " " and resid 34 and name H )) (( segid " " and resid 32 and name HG )) OR { 248} (( segid " " and resid 118 and name H )) (( segid " " and resid 121 and name HB )) OR { 248} (( segid " " and resid 34 and name H )) (( segid " " and resid 53 and name HB2 )) OR { 248} (( segid " " and resid 34 and name H )) (( segid " " and resid 66 and name HG13)) ASSI { 249} (( segid " " and resid 34 and name H )) (( segid " " and resid 32 and name HB3 )) 4.000 2.000 2.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.58267E-03 ppm1 7.918 ppm2 1.440 CV 1 OR { 249} (( segid " " and resid 118 and name H )) (( segid " " and resid 115 and name HG2 )) ASSI { 250} (( segid " " and resid 118 and name H )) (( segid " " and resid 121 and name HG13)) 4.700 2.800 1.300 peak 250 spectrum 1 weight 0.10000E+01 volume 0.41201E-03 ppm1 7.915 ppm2 1.250 CV 1 OR { 250} (( segid " " and resid 118 and name H )) (( segid " " and resid 115 and name HG3 )) OR { 250} (( segid " " and resid 34 and name H )) (( segid " " and resid 53 and name HG2 )) OR { 250} (( segid " " and resid 34 and name H )) (( segid " " and resid 53 and name HG3 )) ASSI { 251} (( segid " " and resid 34 and name H )) ( segid " " and resid 165 and name HG1%) 4.300 2.400 1.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.75090E-03 ppm1 7.925 ppm2 1.031 CV 1 OR { 251} (( segid " " and resid 118 and name H )) (( segid " " and resid 121 and name HG12)) OR { 251} (( segid " " and resid 34 and name H )) (( segid " " and resid 35 and name HB3 )) ASSI { 252} (( segid " " and resid 118 and name H )) ( segid " " and resid 121 and name HD1%) 4.000 2.000 2.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.88011E-03 ppm1 7.925 ppm2 0.704 CV 1 OR { 252} (( segid " " and resid 34 and name H )) ( segid " " and resid 32 and name HD2%) OR { 252} (( segid " " and resid 34 and name H )) ( segid " " and resid 32 and name HD1%) OR { 252} (( segid " " and resid 34 and name H )) ( segid " " and resid 165 and name HG2%) OR { 252} (( segid " " and resid 118 and name H )) ( segid " " and resid 121 and name HG2%) ASSI { 261} (( segid " " and resid 109 and name H )) ( segid " " and resid 105 and name HB% ) 3.800 1.800 1.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.11263E-02 ppm1 7.458 ppm2 1.587 CV 1 OR { 261} (( segid " " and resid 81 and name H )) (( segid " " and resid 421 and name HD3 )) OR { 261} (( segid " " and resid 81 and name H )) (( segid " " and resid 421 and name HD2 )) OR { 261} (( segid " " and resid 81 and name H )) (( segid " " and resid 421 and name HB2 )) OR { 261} (( segid " " and resid 109 and name H )) (( segid " " and resid 123 and name HG )) OR { 261} (( segid " " and resid 109 and name H )) (( segid " " and resid 123 and name HB3 )) ASSI { 262} (( segid " " and resid 109 and name H )) (( segid " " and resid 108 and name HG2 )) 3.500 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 7.460 ppm2 1.254 CV 1 OR { 262} (( segid " " and resid 81 and name H )) ( segid " " and resid 77 and name HB% ) OR { 262} (( segid " " and resid 109 and name H )) (( segid " " and resid 112 and name HB2 )) ASSI { 264} (( segid " " and resid 109 and name H )) (( segid " " and resid 108 and name HG3 )) 4.600 2.700 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.64361E-03 ppm1 7.449 ppm2 0.546 CV 1 OR { 264} (( segid " " and resid 109 and name H )) ( segid " " and resid 112 and name HD1%) OR { 264} (( segid " " and resid 109 and name H )) ( segid " " and resid 123 and name HD2%) ASSI { 265} (( segid " " and resid 107 and name H )) ( segid " " and resid 91 and name HD1%) 3.800 1.800 1.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.20674E-02 ppm1 7.568 ppm2 0.772 CV 1 OR { 265} (( segid " " and resid 107 and name H )) (( segid " " and resid 108 and name HB2 )) OR { 265} (( segid " " and resid 107 and name H )) (( segid " " and resid 108 and name HB3 )) OR { 265} (( segid " " and resid 107 and name H )) ( segid " " and resid 91 and name HD2%) ASSI { 266} (( segid " " and resid 107 and name H )) ( segid " " and resid 103 and name HB% ) 4.000 2.000 2.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.15554E-02 ppm1 7.566 ppm2 1.597 CV 1 OR { 266} (( segid " " and resid 107 and name H )) ( segid " " and resid 105 and name HB% ) OR { 266} (( segid " " and resid 107 and name H )) ( segid " " and resid 104 and name HG2%) ASSI { 271} (( segid " " and resid 106 and name H )) ( segid " " and resid 105 and name HB% ) 3.200 1.200 1.200 peak 271 spectrum 1 weight 0.10000E+01 volume 0.28353E-02 ppm1 7.290 ppm2 1.594 CV 1 OR { 271} (( segid " " and resid 106 and name H )) ( segid " " and resid 103 and name HB% ) ASSI { 278} (( segid " " and resid 102 and name H )) ( segid " " and resid 103 and name HB% ) 4.400 2.500 1.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10532E-02 ppm1 8.325 ppm2 1.608 CV 1 OR { 278} (( segid " " and resid 102 and name H )) ( segid " " and resid 104 and name HG2%) ASSI { 282} (( segid " " and resid 101 and name H )) (( segid " " and resid 97 and name HB2 )) 2.500 2.500 3.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 7.247 ppm2 2.137 CV 1 OR { 282} (( segid " " and resid 101 and name H )) (( segid " " and resid 142 and name HG3 )) ASSI { 283} (( segid " " and resid 101 and name H )) (( segid " " and resid 100 and name HB2 )) 3.100 1.200 1.200 peak 283 spectrum 1 weight 0.10000E+01 volume 0.20406E-02 ppm1 7.237 ppm2 4.295 CV 1 OR { 283} (( segid " " and resid 101 and name H )) (( segid " " and resid 100 and name HB3 )) OR { 283} (( segid " " and resid 101 and name H )) (( segid " " and resid 99 and name HA )) ASSI { 286} (( segid " " and resid 100 and name H )) (( segid " " and resid 99 and name HG3 )) 3.700 1.800 1.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.18431E-02 ppm1 7.573 ppm2 2.391 CV 1 OR { 286} (( segid " " and resid 100 and name H )) (( segid " " and resid 97 and name HG2 )) OR { 286} (( segid " " and resid 100 and name H )) (( segid " " and resid 99 and name HG2 )) ASSI { 288} (( segid " " and resid 100 and name H )) (( segid " " and resid 101 and name HB2 )) 4.600 2.700 1.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.93374E-03 ppm1 7.568 ppm2 2.743 CV 1 OR { 288} (( segid " " and resid 100 and name H )) (( segid " " and resid 93 and name HB3 )) ASSI { 292} (( segid " " and resid 97 and name H )) ( segid " " and resid 138 and name HG1%) 4.100 2.100 1.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 7.664 ppm2 0.748 CV 1 OR { 292} (( segid " " and resid 97 and name H )) ( segid " " and resid 95 and name HG2%) ASSI { 293} (( segid " " and resid 96 and name H )) (( segid " " and resid 94 and name HA )) 3.700 1.800 1.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.11020E-02 ppm1 8.166 ppm2 4.880 CV 1 OR { 293} (( segid " " and resid 96 and name H )) (( segid " " and resid 97 and name HA )) ASSI { 294} (( segid " " and resid 96 and name H )) (( segid " " and resid 94 and name HB3 )) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.76795E-03 ppm1 8.176 ppm2 3.768 CV 1 OR { 294} (( segid " " and resid 96 and name H )) (( segid " " and resid 130 and name HA )) ASSI { 295} (( segid " " and resid 96 and name H )) (( segid " " and resid 94 and name HB2 )) 3.900 1.900 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.91179E-03 ppm1 8.165 ppm2 3.485 CV 1 OR { 295} (( segid " " and resid 96 and name H )) (( segid " " and resid 136 and name HA )) ASSI { 296} (( segid " " and resid 96 and name H )) (( segid " " and resid 97 and name HB3 )) 5.000 3.200 1.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.74602E-03 ppm1 8.164 ppm2 1.823 CV 1 OR { 296} (( segid " " and resid 96 and name H )) (( segid " " and resid 132 and name HB3 )) ASSI { 297} (( segid " " and resid 96 and name H )) (( segid " " and resid 129 and name HB3 )) 4.500 2.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.81671E-03 ppm1 8.162 ppm2 1.487 CV 1 OR { 297} (( segid " " and resid 96 and name H )) (( segid " " and resid 136 and name HB3 )) OR { 297} (( segid " " and resid 96 and name H )) (( segid " " and resid 137 and name HB2 )) OR { 297} (( segid " " and resid 96 and name H )) (( segid " " and resid 132 and name HG )) OR { 297} (( segid " " and resid 96 and name H )) (( segid " " and resid 135 and name HG3 )) ASSI { 309} (( segid " " and resid 90 and name H )) (( segid " " and resid 18 and name HB )) 4.000 2.000 2.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.98494E-03 ppm1 8.521 ppm2 1.618 CV 1 OR { 309} (( segid " " and resid 90 and name H )) (( segid " " and resid 91 and name HG )) OR { 309} (( segid " " and resid 90 and name H )) (( segid " " and resid 123 and name HG )) OR { 309} (( segid " " and resid 90 and name H )) (( segid " " and resid 172 and name HB2 )) OR { 309} (( segid " " and resid 90 and name H )) (( segid " " and resid 124 and name HG )) ASSI { 312} (( segid " " and resid 89 and name H )) (( segid " " and resid 123 and name HG )) 3.200 1.300 1.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.39667E-02 ppm1 8.140 ppm2 1.615 CV 1 OR { 312} (( segid " " and resid 89 and name H )) (( segid " " and resid 172 and name HB2 )) OR { 312} (( segid " " and resid 89 and name H )) (( segid " " and resid 18 and name HB )) OR { 312} (( segid " " and resid 89 and name H )) (( segid " " and resid 123 and name HB2 )) ASSI { 313} (( segid " " and resid 89 and name H )) ( segid " " and resid 172 and name HD2%) 2.300 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.93105E-02 ppm1 8.135 ppm2 0.641 CV 1 OR { 313} (( segid " " and resid 89 and name H )) ( segid " " and resid 172 and name HD1%) OR { 313} (( segid " " and resid 89 and name H )) ( segid " " and resid 123 and name HD1%) ASSI { 315} (( segid " " and resid 87 and name H )) (( segid " " and resid 176 and name HG12)) 4.300 2.400 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.92154E-03 ppm1 7.918 ppm2 0.640 CV 1 OR { 315} (( segid " " and resid 87 and name H )) ( segid " " and resid 121 and name HG2%) OR { 315} (( segid " " and resid 87 and name H )) ( segid " " and resid 172 and name HD2%) OR { 315} (( segid " " and resid 87 and name H )) ( segid " " and resid 17 and name HG2%) OR { 315} (( segid " " and resid 87 and name H )) ( segid " " and resid 172 and name HD1%) ASSI { 316} (( segid " " and resid 135 and name H )) (( segid " " and resid 134 and name HB2 )) 3.500 1.500 1.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.15920E-02 ppm1 7.914 ppm2 1.979 CV 1 OR { 316} (( segid " " and resid 135 and name H )) (( segid " " and resid 134 and name HB3 )) OR { 316} (( segid " " and resid 135 and name H )) (( segid " " and resid 136 and name HB2 )) ASSI { 319} (( segid " " and resid 85 and name H )) (( segid " " and resid 427 and name HA )) 3.800 1.800 1.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.13068E-02 ppm1 7.588 ppm2 3.966 CV 1 OR { 319} (( segid " " and resid 85 and name H )) (( segid " " and resid 430 and name HA )) OR { 319} (( segid " " and resid 85 and name H )) (( segid " " and resid 423 and name HA )) ASSI { 323} (( segid " " and resid 82 and name H )) (( segid " " and resid 82 and name HB3 )) 3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.28500E-02 ppm1 7.710 ppm2 3.019 CV 1 OR { 323} (( segid " " and resid 82 and name H )) (( segid " " and resid 81 and name HB2 )) OR { 323} (( segid " " and resid 82 and name H )) (( segid " " and resid 81 and name HB3 )) ASSI { 330} (( segid " " and resid 72 and name H )) (( segid " " and resid 70 and name HA )) 4.200 2.200 1.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.94105E-03 ppm1 7.981 ppm2 4.252 CV 1 OR { 330} (( segid " " and resid 72 and name H )) (( segid " " and resid 74 and name HA )) ASSI { 333} (( segid " " and resid 58 and name H )) (( segid " " and resid 57 and name HB3 )) 5.100 3.200 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.33156E-03 ppm1 9.551 ppm2 1.880 CV 1 OR { 333} (( segid " " and resid 58 and name H )) (( segid " " and resid 56 and name HB )) ASSI { 335} (( segid " " and resid 58 and name H )) ( segid " " and resid 56 and name HG1%) 3.500 1.500 1.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.16432E-02 ppm1 9.562 ppm2 0.794 CV 1 OR { 335} (( segid " " and resid 58 and name H )) (( segid " " and resid 57 and name HB2 )) ASSI { 338} (( segid " " and resid 167 and name H )) (( segid " " and resid 166 and name H )) 2.600 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 7.662 ppm2 7.943 CV 1 OR { 338} (( segid " " and resid 113 and name H )) (( segid " " and resid 112 and name H )) ASSI { 342} (( segid " " and resid 54 and name H )) (( segid " " and resid 53 and name H )) 4.100 2.100 1.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.97276E-03 ppm1 8.345 ppm2 9.057 CV 1 OR { 342} (( segid " " and resid 54 and name H )) (( segid " " and resid 64 and name H )) ASSI { 346} (( segid " " and resid 35 and name H )) ( segid " " and resid 32 and name HD2%) 4.200 2.200 1.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.80940E-03 ppm1 8.563 ppm2 0.740 CV 1 OR { 346} (( segid " " and resid 35 and name H )) ( segid " " and resid 32 and name HD1%) OR { 346} (( segid " " and resid 35 and name H )) ( segid " " and resid 55 and name HG1%) ASSI { 347} (( segid " " and resid 35 and name H )) ( segid " " and resid 36 and name HD% ) 4.600 2.600 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.66068E-03 ppm1 8.551 ppm2 6.970 CV 1 OR { 347} (( segid " " and resid 35 and name H )) (( segid " " and resid 38 and name H )) ASSI { 348} (( segid " " and resid 33 and name H )) ( segid " " and resid 36 and name HD% ) 4.300 2.300 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.98494E-03 ppm1 7.844 ppm2 6.925 CV 1 OR { 348} (( segid " " and resid 33 and name H )) (( segid " " and resid 38 and name H )) OR { 348} (( segid " " and resid 33 and name H )) ( segid " " and resid 39 and name HD% ) ASSI { 349} (( segid " " and resid 33 and name H )) (( segid " " and resid 32 and name HG )) 3.900 1.900 1.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.15822E-02 ppm1 7.842 ppm2 1.666 CV 1 OR { 349} (( segid " " and resid 33 and name H )) ( segid " " and resid 35 and name HE% ) ASSI { 350} (( segid " " and resid 33 and name H )) ( segid " " and resid 32 and name HD2%) 3.500 1.600 1.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.26500E-02 ppm1 7.843 ppm2 0.755 CV 1 OR { 350} (( segid " " and resid 33 and name H )) ( segid " " and resid 32 and name HD1%) OR { 350} (( segid " " and resid 33 and name H )) ( segid " " and resid 40 and name HG2%) ASSI { 351} (( segid " " and resid 167 and name H )) (( segid " " and resid 164 and name HA )) 3.000 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.16481E-02 ppm1 7.669 ppm2 4.521 CV 1 OR { 351} (( segid " " and resid 167 and name H )) (( segid " " and resid 166 and name HA )) ASSI { 352} (( segid " " and resid 113 and name H )) (( segid " " and resid 109 and name HA )) 4.600 2.700 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.43152E-03 ppm1 7.663 ppm2 3.661 CV 1 OR { 352} (( segid " " and resid 167 and name H )) (( segid " " and resid 168 and name HA )) OR { 352} (( segid " " and resid 113 and name H )) (( segid " " and resid 83 and name HB2 )) ASSI { 353} (( segid " " and resid 113 and name H )) (( segid " " and resid 112 and name HB2 )) 3.500 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 7.661 ppm2 1.257 CV 1 OR { 353} (( segid " " and resid 113 and name H )) (( segid " " and resid 111 and name HB )) OR { 353} (( segid " " and resid 167 and name H )) (( segid " " and resid 167 and name HD2 )) ASSI { 354} (( segid " " and resid 167 and name H )) ( segid " " and resid 168 and name HG2%) 4.100 2.100 1.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 7.662 ppm2 0.712 CV 1 OR { 354} (( segid " " and resid 167 and name H )) ( segid " " and resid 168 and name HG1%) OR { 354} (( segid " " and resid 167 and name H )) ( segid " " and resid 157 and name HG2%) OR { 354} (( segid " " and resid 113 and name H )) ( segid " " and resid 121 and name HD1%) ASSI { 356} (( segid " " and resid 162 and name H )) (( segid " " and resid 159 and name HA )) 3.400 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.81184E-03 ppm1 7.633 ppm2 3.878 CV 1 OR { 356} (( segid " " and resid 162 and name H )) (( segid " " and resid 158 and name HB3 )) ASSI { 357} (( segid " " and resid 162 and name H )) ( segid " " and resid 161 and name HG2%) 4.700 2.800 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.69237E-03 ppm1 7.641 ppm2 0.988 CV 1 OR { 357} (( segid " " and resid 162 and name H )) (( segid " " and resid 160 and name HB3 )) ASSI { 365} (( segid " " and resid 160 and name H )) (( segid " " and resid 160 and name HB2 )) 2.300 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.48833E-02 ppm1 6.874 ppm2 0.416 CV 1 OR { 365} (( segid " " and resid 160 and name H )) (( segid " " and resid 500 and name H1 )) ASSI { 367} (( segid " " and resid 146 and name H )) (( segid " " and resid 148 and name HB3 )) 4.400 2.400 1.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.81914E-03 ppm1 7.054 ppm2 2.040 CV 1 OR { 367} (( segid " " and resid 146 and name H )) (( segid " " and resid 149 and name HB3 )) OR { 367} (( segid " " and resid 146 and name H )) (( segid " " and resid 149 and name HB2 )) OR { 367} (( segid " " and resid 146 and name H )) (( segid " " and resid 148 and name HB2 )) ASSI { 372} (( segid " " and resid 136 and name H )) (( segid " " and resid 135 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.33985E-02 ppm1 7.407 ppm2 4.509 CV 1 OR { 372} (( segid " " and resid 136 and name H )) (( segid " " and resid 96 and name HA )) ASSI { 380} (( segid " " and resid 120 and name H )) (( segid " " and resid 179 and name HB3 )) 3.700 1.700 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.84109E-03 ppm1 8.018 ppm2 1.934 CV 1 OR { 380} (( segid " " and resid 120 and name H )) (( segid " " and resid 118 and name HB2 )) OR { 380} (( segid " " and resid 120 and name H )) (( segid " " and resid 122 and name HG3 )) ASSI { 382} (( segid " " and resid 115 and name H )) (( segid " " and resid 114 and name HA )) 3.100 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.26207E-02 ppm1 7.852 ppm2 4.002 CV 1 OR { 382} (( segid " " and resid 115 and name H )) (( segid " " and resid 113 and name HA )) ASSI { 384} (( segid " " and resid 115 and name H )) (( segid " " and resid 111 and name HA )) 4.400 2.400 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.75577E-03 ppm1 7.852 ppm2 3.031 CV 1 OR { 384} (( segid " " and resid 115 and name H )) (( segid " " and resid 115 and name HE2 )) OR { 384} (( segid " " and resid 115 and name H )) (( segid " " and resid 83 and name HB3 )) ASSI { 385} (( segid " " and resid 115 and name H )) (( segid " " and resid 114 and name HB )) 3.500 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.24697E-02 ppm1 7.853 ppm2 2.203 CV 1 OR { 385} (( segid " " and resid 115 and name H )) (( segid " " and resid 118 and name HG2 )) ASSI { 386} (( segid " " and resid 84 and name H )) (( segid " " and resid 83 and name HB3 )) 4.000 2.000 2.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.69237E-03 ppm1 8.298 ppm2 3.077 CV 1 OR { 386} (( segid " " and resid 84 and name H )) (( segid " " and resid 115 and name HE2 )) ASSI { 388} (( segid " " and resid 79 and name H )) (( segid " " and resid 79 and name HB2 )) 2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.56464E-02 ppm1 7.350 ppm2 1.631 CV 1 OR { 388} (( segid " " and resid 79 and name H )) (( segid " " and resid 79 and name HB3 )) OR { 388} (( segid " " and resid 79 and name H )) (( segid " " and resid 78 and name HB )) ASSI { 389} (( segid " " and resid 27 and name H )) ( segid " " and resid 92 and name HG2%) 3.500 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.29060E-02 ppm1 8.979 ppm2 0.577 CV 1 OR { 389} (( segid " " and resid 27 and name H )) ( segid " " and resid 31 and name HG2%) OR { 389} (( segid " " and resid 27 and name H )) ( segid " " and resid 30 and name HD2%) ASSI { 390} (( segid " " and resid 27 and name H )) (( segid " " and resid 25 and name HB )) 3.500 1.500 1.500 peak 390 spectrum 1 weight 0.10000E+01 volume 0.26427E-02 ppm1 8.980 ppm2 1.830 CV 1 OR { 390} (( segid " " and resid 27 and name H )) (( segid " " and resid 30 and name HG )) OR { 390} (( segid " " and resid 27 and name H )) ( segid " " and resid 19 and name HE% ) ASSI { 397} (( segid " " and resid 110 and name HE21)) (( segid " " and resid 106 and name HG3 )) 3.100 3.100 2.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.96543E-03 ppm1 7.462 ppm2 2.083 CV 1 OR { 397} (( segid " " and resid 110 and name HE21)) (( segid " " and resid 109 and name HB3 )) ASSI { 401} (( segid " " and resid 110 and name HE22)) ( segid " " and resid 114 and name HG1%) 4.300 2.300 1.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.66068E-03 ppm1 6.361 ppm2 1.183 CV 1 OR { 401} (( segid " " and resid 110 and name HE22)) (( segid " " and resid 111 and name HG12)) ASSI { 406} (( segid " " and resid 14 and name H )) (( segid " " and resid 14 and name HG )) 3.400 1.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.22844E-02 ppm1 6.857 ppm2 0.881 CV 1 OR { 406} (( segid " " and resid 14 and name H )) ( segid " " and resid 62 and name HG2%) OR { 406} (( segid " " and resid 14 and name H )) ( segid " " and resid 12 and name HD2%) ASSI { 407} (( segid " " and resid 16 and name H )) (( segid " " and resid 16 and name HB3 )) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.36788E-02 ppm1 8.420 ppm2 1.344 CV 1 OR { 407} (( segid " " and resid 16 and name H )) (( segid " " and resid 176 and name HB )) ASSI { 411} (( segid " " and resid 65 and name H )) ( segid " " and resid 66 and name HD1%) 2.900 1.000 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.48051E-02 ppm1 8.670 ppm2 0.563 CV 1 OR { 411} (( segid " " and resid 65 and name H )) (( segid " " and resid 16 and name HD2 )) OR { 411} (( segid " " and resid 65 and name H )) (( segid " " and resid 16 and name HG3 )) ASSI { 412} (( segid " " and resid 125 and name H )) (( segid " " and resid 147 and name HA )) 4.400 2.400 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.89472E-03 ppm1 8.296 ppm2 3.724 CV 1 OR { 412} (( segid " " and resid 125 and name H )) (( segid " " and resid 168 and name HA )) ASSI { 413} (( segid " " and resid 37 and name H )) (( segid " " and resid 38 and name H )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 8.196 ppm2 6.963 CV 1 OR { 413} (( segid " " and resid 37 and name H )) ( segid " " and resid 36 and name HD% ) ASSI { 415} (( segid " " and resid 112 and name H )) (( segid " " and resid 110 and name HA )) 4.200 2.200 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.78989E-03 ppm1 7.876 ppm2 4.003 CV 1 OR { 415} (( segid " " and resid 112 and name H )) (( segid " " and resid 113 and name HA )) OR { 415} (( segid " " and resid 112 and name H )) (( segid " " and resid 116 and name HA )) ASSI { 416} (( segid " " and resid 32 and name H )) (( segid " " and resid 30 and name H )) 3.900 1.900 1.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.97030E-03 ppm1 9.077 ppm2 8.622 CV 1 OR { 416} (( segid " " and resid 66 and name H )) (( segid " " and resid 65 and name H )) OR { 416} (( segid " " and resid 32 and name H )) (( segid " " and resid 35 and name H )) ASSI { 418} (( segid " " and resid 16 and name H )) ( segid " " and resid 176 and name HD1%) 2.700 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.36081E-02 ppm1 8.418 ppm2 0.580 CV 1 OR { 418} (( segid " " and resid 16 and name H )) (( segid " " and resid 16 and name HD2 )) OR { 418} (( segid " " and resid 16 and name H )) (( segid " " and resid 16 and name HG3 )) ASSI { 420} (( segid " " and resid 81 and name HD22)) (( segid " " and resid 417 and name HA )) 4.000 2.000 2.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.76308E-03 ppm1 6.336 ppm2 4.372 CV 1 OR { 420} (( segid " " and resid 81 and name HD22)) (( segid " " and resid 81 and name HA )) ASSI { 423} (( segid " " and resid 108 and name H )) (( segid " " and resid 110 and name HB3 )) 3.700 1.700 1.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.14603E-02 ppm1 8.251 ppm2 2.390 CV 1 OR { 423} (( segid " " and resid 49 and name H )) (( segid " " and resid 68 and name HB2 )) OR { 423} (( segid " " and resid 108 and name H )) (( segid " " and resid 110 and name HG2 )) ASSI { 436} (( segid " " and resid 50 and name H )) (( segid " " and resid 440 and name HB3 )) 3.300 3.300 2.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.32205E-02 ppm1 8.175 ppm2 1.884 CV 1 OR { 436} (( segid " " and resid 50 and name H )) (( segid " " and resid 433 and name HB2 )) OR { 436} (( segid " " and resid 50 and name H )) (( segid " " and resid 440 and name HB2 )) OR { 436} (( segid " " and resid 50 and name H )) (( segid " " and resid 405 and name HB2 )) OR { 436} (( segid " " and resid 50 and name H )) (( segid " " and resid 434 and name HB3 )) ASSI { 437} (( segid " " and resid 50 and name H )) (( segid " " and resid 436 and name HG )) 3.300 3.300 2.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25184E-02 ppm1 8.173 ppm2 1.538 CV 1 OR { 437} (( segid " " and resid 50 and name H )) (( segid " " and resid 66 and name HB )) ASSI { 438} (( segid " " and resid 50 and name H )) ( segid " " and resid 436 and name HD2%) 3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.50173E-02 ppm1 8.188 ppm2 0.897 CV 1 OR { 438} (( segid " " and resid 50 and name H )) ( segid " " and resid 437 and name HG2%) OR { 438} (( segid " " and resid 50 and name H )) ( segid " " and resid 436 and name HD1%) ASSI { 440} (( segid " " and resid 104 and name H )) ( segid " " and resid 104 and name HG2%) 2.400 0.700 0.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.55073E-02 ppm1 7.447 ppm2 1.602 CV 1 OR { 440} (( segid " " and resid 104 and name H )) ( segid " " and resid 103 and name HB% ) ASSI { 442} (( segid " " and resid 104 and name H )) (( segid " " and resid 93 and name HB3 )) 4.700 2.800 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.53147E-03 ppm1 7.438 ppm2 2.758 CV 1 OR { 442} (( segid " " and resid 104 and name H )) (( segid " " and resid 107 and name HB2 )) OR { 442} (( segid " " and resid 104 and name H )) (( segid " " and resid 107 and name HB3 )) ASSI { 443} (( segid " " and resid 52 and name H )) (( segid " " and resid 51 and name HB2 )) 3.600 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.28306E-02 ppm1 8.796 ppm2 3.218 CV 1 OR { 443} (( segid " " and resid 52 and name H )) (( segid " " and resid 52 and name HD2 )) OR { 443} (( segid " " and resid 52 and name H )) (( segid " " and resid 52 and name HD3 )) ASSI { 444} (( segid " " and resid 87 and name H )) ( segid " " and resid 176 and name HG2%) 4.200 2.200 1.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.93617E-03 ppm1 7.918 ppm2 0.906 CV 1 OR { 444} (( segid " " and resid 87 and name H )) ( segid " " and resid 18 and name HG2%) ASSI { 445} (( segid " " and resid 175 and name H )) (( segid " " and resid 174 and name HG2 )) 3.800 1.800 1.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 7.559 ppm2 1.389 CV 1 OR { 445} (( segid " " and resid 175 and name H )) (( segid " " and resid 176 and name HB )) ASSI { 447} (( segid " " and resid 172 and name H )) ( segid " " and resid 124 and name HD2%) 2.800 1.000 1.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.50564E-02 ppm1 7.519 ppm2 0.754 CV 1 OR { 447} (( segid " " and resid 172 and name H )) ( segid " " and resid 17 and name HG1%) ASSI { 448} (( segid " " and resid 60 and name H )) ( segid " " and resid 62 and name HG2%) 3.600 1.600 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.15359E-02 ppm1 7.519 ppm2 0.791 CV 1 OR { 448} (( segid " " and resid 60 and name H )) ( segid " " and resid 56 and name HG1%) ASSI { 450} (( segid " " and resid 15 and name H )) (( segid " " and resid 14 and name HG )) 3.000 1.100 1.100 peak 450 spectrum 1 weight 0.10000E+01 volume 0.58583E-02 ppm1 8.349 ppm2 0.982 CV 1 OR { 450} (( segid " " and resid 15 and name H )) (( segid " " and resid 64 and name HG12)) ASSI { 453} (( segid " " and resid 112 and name H )) (( segid " " and resid 109 and name HB3 )) 3.700 1.700 1.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.10946E-02 ppm1 7.875 ppm2 1.996 CV 1 OR { 453} (( segid " " and resid 112 and name H )) (( segid " " and resid 115 and name HB3 )) ASSI { 455} (( segid " " and resid 129 and name H )) (( segid " " and resid 129 and name HB3 )) 4.400 2.400 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.69237E-03 ppm1 7.199 ppm2 1.485 CV 1 OR { 455} (( segid " " and resid 129 and name H )) ( segid " " and resid 159 and name HB% ) ASSI { 456} (( segid " " and resid 50 and name H )) (( segid " " and resid 433 and name HA )) 3.500 3.500 2.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.38568E-02 ppm1 8.183 ppm2 3.994 CV 1 OR { 456} (( segid " " and resid 50 and name H )) (( segid " " and resid 434 and name HA )) ASSI { 460} (( segid " " and resid 91 and name H )) (( segid " " and resid 90 and name HA )) 2.400 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.483 ppm2 4.775 CV 1 OR { 460} (( segid " " and resid 91 and name H )) (( segid " " and resid 91 and name HA )) ASSI { 465} (( segid " " and resid 57 and name H )) (( segid " " and resid 57 and name HA )) 2.900 1.100 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 9.065 ppm2 4.553 CV 1 OR { 465} (( segid " " and resid 57 and name H )) (( segid " " and resid 61 and name HA )) ASSI { 478} (( segid " " and resid 31 and name H )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 7.553 ppm2 4.193 CV 1 OR { 478} (( segid " " and resid 31 and name H )) (( segid " " and resid 28 and name HA )) ASSI { 481} (( segid " " and resid 30 and name H )) (( segid " " and resid 29 and name H )) 2.800 1.000 1.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.16603E-02 ppm1 8.665 ppm2 9.429 CV 1 OR { 481} (( segid " " and resid 30 and name H )) (( segid " " and resid 28 and name H )) ASSI { 560} (( segid " " and resid 177 and name H )) (( segid " " and resid 177 and name HA )) 2.700 0.900 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.605 ppm2 3.663 CV 1 OR { 560} (( segid " " and resid 177 and name H )) (( segid " " and resid 174 and name HA )) ASSI { 561} (( segid " " and resid 177 and name H )) (( segid " " and resid 176 and name H )) 2.600 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.21015E-02 ppm1 8.603 ppm2 8.237 CV 1 OR { 561} (( segid " " and resid 177 and name H )) (( segid " " and resid 178 and name H )) ASSI { 571} (( segid " " and resid 176 and name H )) (( segid " " and resid 176 and name HA )) 2.800 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.275 ppm2 3.381 CV 1 OR { 571} (( segid " " and resid 176 and name H )) (( segid " " and resid 173 and name HA )) ASSI { 576} (( segid " " and resid 175 and name H )) (( segid " " and resid 176 and name H )) 2.300 0.700 0.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.37058E-02 ppm1 7.565 ppm2 8.249 CV 1 OR { 576} (( segid " " and resid 175 and name H )) (( segid " " and resid 174 and name H )) ASSI { 582} (( segid " " and resid 63 and name H )) (( segid " " and resid 63 and name HB2 )) 2.300 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.65581E-02 ppm1 8.182 ppm2 1.595 CV 1 OR { 582} (( segid " " and resid 173 and name H )) ( segid " " and resid 173 and name HE% ) ASSI { 612} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HB )) 2.800 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.30645E-02 ppm1 7.152 ppm2 2.022 CV 1 OR { 612} (( segid " " and resid 138 and name H )) (( segid " " and resid 95 and name HB )) ASSI { 617} (( segid " " and resid 126 and name H )) (( segid " " and resid 125 and name HA )) 2.500 0.800 0.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 9.136 ppm2 4.921 CV 1 OR { 617} (( segid " " and resid 126 and name H )) (( segid " " and resid 126 and name HA )) ASSI { 629} (( segid " " and resid 62 and name H )) (( segid " " and resid 63 and name H )) 5.200 3.400 0.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.23404E-03 ppm1 9.029 ppm2 8.208 CV 1 OR { 629} (( segid " " and resid 62 and name H )) (( segid " " and resid 56 and name H )) ASSI { 630} (( segid " " and resid 62 and name H )) (( segid " " and resid 61 and name HA )) 2.400 0.700 0.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 9.024 ppm2 4.588 CV 1 OR { 630} (( segid " " and resid 62 and name H )) (( segid " " and resid 62 and name HA )) ASSI { 669} (( segid " " and resid 88 and name H )) (( segid " " and resid 87 and name HA )) 3.000 1.100 1.100 peak 669 spectrum 1 weight 0.10000E+01 volume 0.31741E-02 ppm1 7.542 ppm2 4.532 CV 1 OR { 669} (( segid " " and resid 88 and name H )) (( segid " " and resid 17 and name HA )) ASSI { 709} (( segid " " and resid 143 and name H )) (( segid " " and resid 143 and name HA )) 2.700 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 6.695 ppm2 3.513 CV 1 OR { 709} (( segid " " and resid 143 and name H )) (( segid " " and resid 140 and name HA )) ASSI { 712} (( segid " " and resid 116 and name H )) (( segid " " and resid 118 and name H )) 3.800 1.800 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.89229E-03 ppm1 7.008 ppm2 7.882 CV 1 OR { 712} (( segid " " and resid 116 and name H )) (( segid " " and resid 115 and name H )) ASSI { 732} (( segid " " and resid 13 and name H )) (( segid " " and resid 13 and name HA )) 2.900 1.100 1.100 peak 732 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.002 ppm2 4.115 CV 1 OR { 732} (( segid " " and resid 13 and name H )) (( segid " " and resid 12 and name HA )) ASSI { 735} (( segid " " and resid 121 and name H )) (( segid " " and resid 120 and name HA )) 2.600 0.900 0.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.309 ppm2 4.307 CV 1 OR { 735} (( segid " " and resid 121 and name H )) (( segid " " and resid 121 and name HA )) ASSI { 756} (( segid " " and resid 64 and name H )) (( segid " " and resid 63 and name HA )) 2.500 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.30912E-02 ppm1 9.045 ppm2 5.236 CV 1 OR { 756} (( segid " " and resid 64 and name H )) (( segid " " and resid 64 and name HA )) ASSI { 789} (( segid " " and resid 157 and name H )) (( segid " " and resid 127 and name H )) 3.600 1.700 1.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 8.825 ppm2 8.241 CV 1 OR { 789} (( segid " " and resid 157 and name H )) (( segid " " and resid 156 and name H )) ASSI { 801} (( segid " " and resid 153 and name H )) (( segid " " and resid 152 and name H )) 3.600 1.600 1.600 peak 801 spectrum 1 weight 0.10000E+01 volume 0.19552E-02 ppm1 8.793 ppm2 8.263 CV 1 OR { 801} (( segid " " and resid 153 and name H )) (( segid " " and resid 125 and name H )) ASSI { 811} (( segid " " and resid 150 and name H )) (( segid " " and resid 151 and name H )) 2.500 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.39252E-02 ppm1 7.733 ppm2 8.245 CV 1 OR { 811} (( segid " " and resid 150 and name H )) (( segid " " and resid 152 and name H )) ASSI { 814} (( segid " " and resid 148 and name H )) (( segid " " and resid 149 and name H )) 2.700 0.900 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.22624E-02 ppm1 8.161 ppm2 7.748 CV 1 OR { 814} (( segid " " and resid 148 and name H )) (( segid " " and resid 147 and name H )) ASSI { 908} (( segid " " and resid 112 and name H )) (( segid " " and resid 113 and name H )) 2.500 0.800 0.800 peak 908 spectrum 1 weight 0.10000E+01 volume 0.27329E-02 ppm1 7.872 ppm2 7.688 CV 1 OR { 908} (( segid " " and resid 112 and name H )) (( segid " " and resid 114 and name H )) ASSI { 926} (( segid " " and resid 107 and name H )) (( segid " " and resid 107 and name HA )) 2.700 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.33472E-02 ppm1 7.567 ppm2 4.183 CV 1 OR { 926} (( segid " " and resid 107 and name H )) (( segid " " and resid 104 and name HA )) ASSI { 931} (( segid " " and resid 106 and name H )) (( segid " " and resid 106 and name HA )) 2.900 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 7.288 ppm2 4.069 CV 1 OR { 931} (( segid " " and resid 106 and name H )) (( segid " " and resid 103 and name HA )) ASSI { 1029} (( segid " " and resid 173 and name H )) (( segid " " and resid 172 and name H )) 2.400 0.700 0.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.49320E-02 ppm1 8.231 ppm2 7.567 CV 1 OR { 1029} (( segid " " and resid 108 and name H )) (( segid " " and resid 107 and name H )) ASSI { 1032} (( segid " " and resid 171 and name H )) (( segid " " and resid 173 and name H )) 4.300 2.300 1.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.40714E-03 ppm1 9.460 ppm2 8.241 CV 1 OR { 1032} (( segid " " and resid 171 and name H )) (( segid " " and resid 174 and name H )) ASSI { 1038} (( segid " " and resid 146 and name H )) (( segid " " and resid 147 and name H )) 2.300 0.700 0.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.44517E-02 ppm1 7.058 ppm2 7.733 CV 1 OR { 1038} (( segid " " and resid 146 and name H )) (( segid " " and resid 145 and name H )) ASSI { 1041} (( segid " " and resid 144 and name H )) (( segid " " and resid 143 and name H )) 2.700 0.900 0.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.17212E-02 ppm1 8.535 ppm2 6.700 CV 1 OR { 1041} (( segid " " and resid 144 and name H )) ( segid " " and resid 154 and name HE% ) ASSI { 1048} (( segid " " and resid 120 and name H )) (( segid " " and resid 119 and name H )) 3.200 1.300 1.300 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.21624E-02 ppm1 8.017 ppm2 8.327 CV 1 OR { 1048} (( segid " " and resid 120 and name H )) (( segid " " and resid 121 and name H )) ASSI { 1061} (( segid " " and resid 61 and name H )) (( segid " " and resid 60 and name HA )) 2.600 0.800 0.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.721 ppm2 4.555 CV 1 OR { 1061} (( segid " " and resid 61 and name H )) (( segid " " and resid 61 and name HA )) ASSI { 1077} (( segid " " and resid 15 and name H )) (( segid " " and resid 14 and name HA )) 1.900 0.400 0.400 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.16407E-01 ppm1 8.358 ppm2 4.969 CV 1 OR { 1077} (( segid " " and resid 54 and name H )) (( segid " " and resid 54 and name HA )) ASSI { 1083} (( segid " " and resid 19 and name H )) (( segid " " and resid 18 and name HA )) 2.700 0.900 0.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 8.418 ppm2 4.980 CV 1 OR { 1083} (( segid " " and resid 19 and name H )) (( segid " " and resid 19 and name HA )) ASSI { 1094} (( segid " " and resid 11 and name H )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.518 ppm2 4.361 CV 1 OR { 1094} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name HA )) ASSI { 1095} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name HB2 )) 2.900 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.40250E-02 ppm1 8.526 ppm2 3.814 CV 1 OR { 1095} (( segid " " and resid 11 and name H )) (( segid " " and resid 11 and name HB2 )) OR { 1095} (( segid " " and resid 11 and name H )) (( segid " " and resid 11 and name HB3 )) OR { 1095} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name HB3 )) ASSI { 1105} (( segid " " and resid 41 and name H )) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.86938E-02 ppm1 8.123 ppm2 1.731 CV 1 OR { 1105} (( segid " " and resid 41 and name H )) (( segid " " and resid 40 and name HB )) ASSI { 1106} (( segid " " and resid 39 and name H )) ( segid " " and resid 39 and name HD% ) 3.700 1.700 1.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.35179E-02 ppm1 8.320 ppm2 6.943 CV 1 OR { 1106} (( segid " " and resid 39 and name H )) (( segid " " and resid 38 and name H )) ASSI { 1126} (( segid " " and resid 35 and name H )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.17115E-02 ppm1 8.559 ppm2 3.615 CV 1 OR { 1126} (( segid " " and resid 35 and name H )) (( segid " " and resid 32 and name HA )) ASSI { 1127} (( segid " " and resid 35 and name H )) (( segid " " and resid 34 and name HA )) 3.500 1.600 1.600 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.88498E-03 ppm1 8.566 ppm2 3.754 CV 1 OR { 1127} (( segid " " and resid 35 and name H )) (( segid " " and resid 32 and name HA )) ASSI { 1140} (( segid " " and resid 32 and name H )) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.38105E-02 ppm1 9.065 ppm2 4.179 CV 1 OR { 1140} (( segid " " and resid 32 and name H )) (( segid " " and resid 29 and name HA )) ASSI { 1149} (( segid " " and resid 113 and name H )) (( segid " " and resid 113 and name HA )) 2.900 1.100 1.100 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 7.664 ppm2 3.974 CV 1 OR { 1149} (( segid " " and resid 113 and name H )) (( segid " " and resid 110 and name HA )) ASSI { 1153} (( segid " " and resid 167 and name H )) (( segid " " and resid 167 and name HB3 )) 2.700 0.900 0.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.28135E-02 ppm1 7.665 ppm2 1.512 CV 1 OR { 1153} (( segid " " and resid 113 and name H )) (( segid " " and resid 113 and name HG2 )) ASSI { 1164} (( segid " " and resid 146 and name H )) (( segid " " and resid 146 and name HA )) 2.700 0.900 0.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 7.058 ppm2 3.582 CV 1 OR { 1164} (( segid " " and resid 146 and name H )) (( segid " " and resid 143 and name HA )) ASSI { 1286} (( segid " " and resid 14 and name H )) (( segid " " and resid 14 and name HB3 )) 2.600 0.900 0.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.69115E-02 ppm1 6.845 ppm2 1.244 CV 1 OR { 1286} (( segid " " and resid 14 and name H )) (( segid " " and resid 14 and name HB2 )) OR { 1286} (( segid " " and resid 14 and name H )) ( segid " " and resid 13 and name HB% ) ASSI { 1292} (( segid " " and resid 19 and name H )) (( segid " " and resid 68 and name HA )) 3.000 1.100 1.100 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.28135E-02 ppm1 8.421 ppm2 4.572 CV 1 OR { 1292} (( segid " " and resid 16 and name H )) (( segid " " and resid 17 and name HA )) OR { 1292} (( segid " " and resid 19 and name H )) (( segid " " and resid 17 and name HA )) ASSI { 1336} (( segid " " and resid 53 and name H )) ( segid " " and resid 64 and name HG2%) 2.700 0.900 0.900 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.35449E-02 ppm1 9.044 ppm2 0.997 CV 1 OR { 1336} (( segid " " and resid 53 and name H )) (( segid " " and resid 53 and name HD3 )) ASSI { 1383} (( segid " " and resid 47 and name H )) (( segid " " and resid 47 and name HG2 )) 3.700 1.700 1.700 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 8.518 ppm2 0.735 CV 1 OR { 1383} (( segid " " and resid 47 and name H )) ( segid " " and resid 46 and name HG2%) ASSI { 1} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 124 and name HD1%) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.55400E-02 ppm1 1.312 ppm2 0.678 CV 1 OR { 1} (( segid " " and resid 124 and name HB2 )) ( segid " " and resid 172 and name HD1%) ASSI { 2} (( segid " " and resid 124 and name HB3 )) ( segid " " and resid 124 and name HD1%) 2.800 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.56511E-02 ppm1 1.459 ppm2 0.660 CV 1 OR { 2} (( segid " " and resid 124 and name HB3 )) ( segid " " and resid 172 and name HD1%) ASSI { 4} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HB2 )) 2.200 0.600 0.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.12585E-01 ppm1 -0.262 ppm2 0.657 CV 1 OR { 4} ( segid " " and resid 90 and name HD1%) ( segid " " and resid 17 and name HG1%) OR { 4} ( segid " " and resid 90 and name HD1%) ( segid " " and resid 168 and name HG2%) OR { 4} ( segid " " and resid 90 and name HD1%) ( segid " " and resid 17 and name HG2%) ASSI { 5} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 82 and name HD% ) 3.400 1.400 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.22329E-02 ppm1 -0.278 ppm2 6.734 CV 1 OR { 5} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 430 and name HZ3 )) OR { 5} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 430 and name HH2 )) ASSI { 6} (( segid " " and resid 144 and name HB3 )) ( segid " " and resid 154 and name HD% ) 4.400 2.400 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.89246E-03 ppm1 1.675 ppm2 6.889 CV 1 OR { 6} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 78 and name H )) OR { 6} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 154 and name HD% ) ASSI { 9} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 155 and name HB )) 2.500 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.51425E-02 ppm1 0.704 ppm2 1.378 CV 1 OR { 9} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 167 and name HG2 )) OR { 9} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 167 and name HG3 )) ASSI { 12} ( segid " " and resid 168 and name HG2%) ( segid " " and resid 19 and name HE% ) 3.700 1.700 1.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.15256E-02 ppm1 0.650 ppm2 1.851 CV 1 OR { 12} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 169 and name HB3 )) ASSI { 14} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HB2 )) 3.300 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.32835E-02 ppm1 1.692 ppm2 3.835 CV 1 OR { 14} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 141 and name HA )) OR { 14} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HB3 )) OR { 14} (( segid " " and resid 144 and name HB3 )) (( segid " " and resid 145 and name HB2 )) OR { 14} (( segid " " and resid 144 and name HB3 )) (( segid " " and resid 145 and name HB3 )) ASSI { 16} (( segid " " and resid 165 and name HA )) ( segid " " and resid 165 and name HG2%) 2.300 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.83218E-02 ppm1 3.361 ppm2 0.702 CV 1 OR { 16} (( segid " " and resid 165 and name HA )) ( segid " " and resid 157 and name HG2%) ASSI { 17} (( segid " " and resid 56 and name HB )) (( segid " " and resid 62 and name H )) 3.500 1.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 1.826 ppm2 9.059 CV 1 OR { 17} (( segid " " and resid 56 and name HB )) (( segid " " and resid 57 and name H )) ASSI { 18} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 33 and name HG3 )) 2.900 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.26739E-02 ppm1 1.024 ppm2 2.581 CV 1 OR { 18} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 34 and name HB2 )) ASSI { 19} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.31759E-02 ppm1 1.024 ppm2 3.810 CV 1 OR { 19} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 157 and name HB )) OR { 19} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 159 and name HA )) ASSI { 22} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 167 and name H )) 3.900 1.900 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 1.028 ppm2 7.681 CV 1 OR { 22} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 162 and name H )) ASSI { 23} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 91 and name HB3 )) 2.600 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.52705E-02 ppm1 0.745 ppm2 1.165 CV 1 OR { 23} ( segid " " and resid 91 and name HD1%) ( segid " " and resid 125 and name HG2%) ASSI { 25} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 104 and name HB )) 2.900 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.31252E-02 ppm1 0.740 ppm2 4.218 CV 1 OR { 25} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 107 and name HA )) ASSI { 26} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 158 and name H )) 3.600 1.600 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 0.741 ppm2 7.995 CV 1 OR { 26} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 166 and name H )) ASSI { 27} (( segid " " and resid 155 and name HA )) ( segid " " and resid 154 and name HE% ) 4.000 2.000 2.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.93959E-03 ppm1 3.682 ppm2 6.720 CV 1 OR { 27} (( segid " " and resid 79 and name HA )) ( segid " " and resid 82 and name HD% ) OR { 27} (( segid " " and resid 155 and name HA )) (( segid " " and resid 164 and name HD21)) ASSI { 32} ( segid " " and resid 155 and name HG1%) (( segid " " and resid 164 and name HB2 )) 3.000 1.200 1.200 peak 32 spectrum 1 weight 0.10000E+01 volume 0.34519E-02 ppm1 0.599 ppm2 2.701 CV 1 OR { 32} ( segid " " and resid 155 and name HG1%) (( segid " " and resid 167 and name HE3 )) ASSI { 33} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 124 and name HD1%) 3.000 1.100 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.65167E-02 ppm1 1.032 ppm2 0.665 CV 1 OR { 33} ( segid " " and resid 152 and name HG2%) ( segid " " and resid 155 and name HG2%) ASSI { 37} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 123 and name HB2 )) 2.800 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.19971E-02 ppm1 1.034 ppm2 1.594 CV 1 OR { 37} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 124 and name HG )) OR { 37} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 144 and name HG2 )) ASSI { 39} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 125 and name HB )) 3.800 1.800 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.17142E-02 ppm1 1.036 ppm2 2.308 CV 1 OR { 39} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 153 and name HG3 )) OR { 39} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 153 and name HG2 )) ASSI { 44} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 154 and name HH )) 3.600 1.700 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.33474E-02 ppm1 1.164 ppm2 0.647 CV 1 OR { 44} ( segid " " and resid 114 and name HG1%) ( segid " " and resid 121 and name HD1%) ASSI { 45} ( segid " " and resid 140 and name HG1%) ( segid " " and resid 95 and name HG2%) 3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.46577E-02 ppm1 1.167 ppm2 0.754 CV 1 OR { 45} ( segid " " and resid 114 and name HG1%) ( segid " " and resid 121 and name HG2%) ASSI { 47} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 111 and name HA )) 3.600 1.600 1.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.21419E-02 ppm1 1.173 ppm2 2.982 CV 1 OR { 47} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 127 and name HA3 )) ASSI { 48} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 83 and name HB3 )) 2.900 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.23944E-02 ppm1 1.174 ppm2 3.090 CV 1 OR { 48} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 144 and name HD3 )) OR { 48} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 144 and name HD2 )) ASSI { 50} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 139 and name HA )) 3.500 1.500 1.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.35799E-02 ppm1 1.166 ppm2 4.376 CV 1 OR { 50} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 81 and name HA )) ASSI { 53} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 144 and name HG3 )) 3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.52974E-02 ppm1 0.921 ppm2 1.752 CV 1 OR { 53} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 144 and name HB2 )) OR { 53} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 144 and name HB3 )) OR { 53} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 139 and name HG3 )) ASSI { 54} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 156 and name HG3 )) 3.100 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.25863E-02 ppm1 0.927 ppm2 2.187 CV 1 OR { 54} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 156 and name HG2 )) OR { 54} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 141 and name HG2 )) ASSI { 55} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 141 and name HA )) 3.600 1.600 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.36741E-02 ppm1 0.923 ppm2 3.840 CV 1 OR { 55} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 142 and name HA )) ASSI { 57} ( segid " " and resid 140 and name HG2%) ( segid " " and resid 154 and name HD% ) 4.200 2.200 1.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.17142E-02 ppm1 0.928 ppm2 6.869 CV 1 OR { 57} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 93 and name HZ )) ASSI { 59} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 156 and name H )) 4.100 2.100 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.87224E-03 ppm1 0.924 ppm2 8.219 CV 1 OR { 59} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 155 and name H )) OR { 59} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 127 and name H )) ASSI { 61} ( segid " " and resid 138 and name HG1%) (( segid " " and resid 93 and name HZ )) 3.200 1.300 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.18422E-02 ppm1 0.722 ppm2 6.914 CV 1 OR { 61} ( segid " " and resid 138 and name HG1%) (( segid " " and resid 142 and name H )) OR { 61} ( segid " " and resid 138 and name HG1%) ( segid " " and resid 154 and name HD% ) ASSI { 63} ( segid " " and resid 138 and name HG1%) (( segid " " and resid 95 and name HA )) 2.600 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.35327E-02 ppm1 0.712 ppm2 4.081 CV 1 OR { 63} ( segid " " and resid 40 and name HG1%) (( segid " " and resid 29 and name HA )) ASSI { 64} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 98 and name HA )) 3.600 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.25863E-02 ppm1 -0.052 ppm2 3.963 CV 1 OR { 64} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HD3 )) ASSI { 66} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 143 and name HA )) 3.400 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.19836E-02 ppm1 -0.051 ppm2 3.494 CV 1 OR { 66} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 140 and name HA )) ASSI { 67} ( segid " " and resid 138 and name HG1%) (( segid " " and resid 140 and name HA )) 3.500 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.92949E-03 ppm1 0.709 ppm2 3.487 CV 1 OR { 67} ( segid " " and resid 138 and name HG1%) (( segid " " and resid 143 and name HA )) ASSI { 68} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 142 and name HG2 )) 3.200 1.300 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.44791E-02 ppm1 -0.053 ppm2 1.768 CV 1 OR { 68} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HG3 )) OR { 68} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 142 and name HB2 )) ASSI { 70} ( segid " " and resid 92 and name HG2%) ( segid " " and resid 92 and name HG1%) 1.800 0.400 0.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.53068E-01 ppm1 0.540 ppm2 0.698 CV 1 OR { 70} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 126 and name HG1%) OR { 70} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 168 and name HG1%) OR { 70} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 168 and name HG2%) ASSI { 71} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name H )) 3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.39402E-02 ppm1 0.547 ppm2 8.256 CV 1 OR { 71} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 155 and name H )) ASSI { 73} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG2%) 2.900 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.20644E-02 ppm1 4.912 ppm2 1.185 CV 1 OR { 73} (( segid " " and resid 125 and name HA )) (( segid " " and resid 91 and name HB3 )) ASSI { 75} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 147 and name H )) 3.800 1.800 1.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.17108E-02 ppm1 1.221 ppm2 7.740 CV 1 OR { 75} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 150 and name H )) ASSI { 76} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 107 and name HE% ) 2.700 2.700 3.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.24147E-02 ppm1 1.409 ppm2 7.317 CV 1 OR { 76} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 168 and name H )) ASSI { 78} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 154 and name HD% ) 2.900 1.100 1.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.53412E-02 ppm1 1.409 ppm2 6.862 CV 1 OR { 78} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 93 and name HZ )) ASSI { 79} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 154 and name HE% ) 2.900 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.42299E-02 ppm1 1.410 ppm2 6.656 CV 1 OR { 79} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 150 and name HZ3 )) ASSI { 82} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 127 and name HA2 )) 3.900 1.900 1.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.94297E-03 ppm1 1.408 ppm2 2.724 CV 1 OR { 82} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 154 and name HB3 )) ASSI { 83} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 152 and name HB )) 4.000 2.000 2.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13943E-02 ppm1 1.223 ppm2 2.694 CV 1 OR { 83} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 154 and name HB3 )) ASSI { 86} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 104 and name HG2%) 2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.41357E-02 ppm1 1.409 ppm2 1.597 CV 1 OR { 86} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 91 and name HG )) OR { 86} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 144 and name HG2 )) ASSI { 87} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 91 and name HD1%) 3.300 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.36741E-02 ppm1 1.408 ppm2 0.696 CV 1 OR { 87} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 154 and name HH )) OR { 87} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 126 and name HG1%) OR { 87} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 124 and name HD1%) OR { 87} ( segid " " and resid 125 and name HG1%) ( segid " " and resid 95 and name HG2%) ASSI { 88} (( segid " " and resid 114 and name HB )) (( segid " " and resid 115 and name HG2 )) 4.000 2.000 2.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 2.199 ppm2 1.447 CV 1 OR { 88} (( segid " " and resid 114 and name HB )) (( segid " " and resid 113 and name HG2 )) ASSI { 95} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HE21)) 3.700 1.700 1.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.88573E-03 ppm1 1.806 ppm2 6.571 CV 1 OR { 95} (( segid " " and resid 62 and name HB )) (( segid " " and resid 15 and name HD2 )) ASSI { 99} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 62 and name H )) 4.300 2.300 1.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.56241E-03 ppm1 0.549 ppm2 9.046 CV 1 OR { 99} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 64 and name H )) OR { 99} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 57 and name H )) ASSI { 100} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 32 and name HG )) 2.200 0.600 0.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.10588E-01 ppm1 0.739 ppm2 1.581 CV 1 OR { 100} ( segid " " and resid 55 and name HG1%) ( segid " " and resid 173 and name HE% ) ASSI { 101} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 89 and name HB3 )) 2.900 1.100 1.100 peak 101 spectrum 1 weight 0.10000E+01 volume 0.44320E-02 ppm1 0.734 ppm2 2.414 CV 1 OR { 101} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 53 and name HE2 )) OR { 101} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 166 and name HB2 )) OR { 101} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 19 and name HB3 )) ASSI { 102} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 170 and name HZ )) 2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.71060E-02 ppm1 0.729 ppm2 7.289 CV 1 OR { 102} ( segid " " and resid 20 and name HG2%) ( segid " " and resid 83 and name HE% ) ASSI { 105} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 59 and name H )) 2.400 2.400 3.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.98675E-03 ppm1 0.847 ppm2 7.998 CV 1 OR { 105} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 13 and name H )) ASSI { 106} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 61 and name H )) 2.800 2.800 3.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.89246E-03 ppm1 0.852 ppm2 8.718 CV 1 OR { 106} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 65 and name H )) ASSI { 110} ( segid " " and resid 62 and name HG1%) (( segid " " and resid 62 and name H )) 3.200 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.77425E-02 ppm1 0.649 ppm2 9.039 CV 1 OR { 110} ( segid " " and resid 62 and name HG1%) (( segid " " and resid 64 and name H )) ASSI { 112} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 61 and name HA )) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.48562E-02 ppm1 0.590 ppm2 4.550 CV 1 OR { 112} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 60 and name HA )) OR { 112} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HA )) ASSI { 117} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 57 and name H )) 3.400 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.60216E-02 ppm1 0.775 ppm2 9.054 CV 1 OR { 117} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 62 and name H )) ASSI { 118} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name H )) 2.500 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.62404E-02 ppm1 0.589 ppm2 9.060 CV 1 OR { 118} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 62 and name H )) ASSI { 124} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 108 and name HE )) 3.200 1.300 1.300 peak 124 spectrum 1 weight 0.10000E+01 volume 0.19095E-02 ppm1 0.537 ppm2 6.786 CV 1 OR { 124} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 108 and name HE )) OR { 124} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 154 and name HD% ) OR { 124} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 89 and name HE% ) OR { 124} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 169 and name HD% ) ASSI { 125} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 170 and name HZ )) 4.300 2.300 1.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 0.543 ppm2 7.329 CV 1 OR { 125} ( segid " " and resid 55 and name HG2%) ( segid " " and resid 170 and name HD% ) OR { 125} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 168 and name H )) ASSI { 126} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 128 and name HB2 )) 3.600 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 0.658 ppm2 2.574 CV 1 OR { 126} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 154 and name HB2 )) ASSI { 127} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 128 and name HB3 )) 3.800 1.800 1.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 0.659 ppm2 2.110 CV 1 OR { 127} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 156 and name HG2 )) OR { 127} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 156 and name HG3 )) ASSI { 129} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 128 and name HB2 )) 3.800 1.800 1.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.14077E-02 ppm1 0.527 ppm2 2.580 CV 1 OR { 129} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 34 and name HB2 )) OR { 129} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 128 and name HB2 )) OR { 129} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 33 and name HG3 )) ASSI { 132} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 20 and name H )) 2.500 2.500 3.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 0.667 ppm2 9.041 CV 1 OR { 132} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 27 and name H )) OR { 132} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 159 and name H )) ASSI { 135} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 63 and name HE21)) 3.900 1.900 1.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 0.531 ppm2 6.583 CV 1 OR { 135} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 15 and name HD2 )) ASSI { 136} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 64 and name HA )) 4.300 2.300 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 0.524 ppm2 5.202 CV 1 OR { 136} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 63 and name HA )) ASSI { 143} ( segid " " and resid 40 and name HG2%) ( segid " " and resid 29 and name HB% ) 3.200 1.300 1.300 peak 143 spectrum 1 weight 0.10000E+01 volume 0.25863E-02 ppm1 0.747 ppm2 1.370 CV 1 OR { 143} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 32 and name HB3 )) ASSI { 145} ( segid " " and resid 20 and name HG1%) (( segid " " and resid 89 and name HB3 )) 3.400 1.400 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.12663E-02 ppm1 0.830 ppm2 2.436 CV 1 OR { 145} ( segid " " and resid 20 and name HG1%) (( segid " " and resid 19 and name HB3 )) OR { 145} ( segid " " and resid 20 and name HG1%) (( segid " " and resid 110 and name HG3 )) ASSI { 147} ( segid " " and resid 20 and name HG1%) (( segid " " and resid 90 and name H )) 3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 0.823 ppm2 8.510 CV 1 OR { 147} ( segid " " and resid 20 and name HG1%) (( segid " " and resid 91 and name H )) ASSI { 148} (( segid " " and resid 62 and name HB )) ( segid " " and resid 55 and name HG2%) 3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.22530E-02 ppm1 1.828 ppm2 0.560 CV 1 OR { 148} (( segid " " and resid 62 and name HB )) ( segid " " and resid 56 and name HG2%) OR { 148} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 14 and name HD2%) OR { 148} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 14 and name HD1%) ASSI { 149} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 91 and name H )) 4.000 2.000 2.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10743E-02 ppm1 0.658 ppm2 8.509 CV 1 OR { 149} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 90 and name H )) ASSI { 152} (( segid " " and resid 127 and name HA2 )) (( segid " " and resid 128 and name HB3 )) 4.800 2.900 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.72406E-03 ppm1 2.714 ppm2 2.181 CV 1 OR { 152} (( segid " " and resid 127 and name HA2 )) (( segid " " and resid 156 and name HG2 )) ASSI { 153} (( segid " " and resid 127 and name HA3 )) (( segid " " and resid 154 and name HH )) 3.800 1.800 1.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.68365E-03 ppm1 2.916 ppm2 0.625 CV 1 OR { 153} (( segid " " and resid 127 and name HA3 )) ( segid " " and resid 126 and name HG1%) ASSI { 158} (( segid " " and resid 29 and name HA )) ( segid " " and resid 40 and name HG1%) 3.200 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.23878E-02 ppm1 4.118 ppm2 0.726 CV 1 OR { 158} (( segid " " and resid 29 and name HA )) ( segid " " and resid 40 and name HG2%) OR { 158} (( segid " " and resid 29 and name HA )) ( segid " " and resid 32 and name HD1%) ASSI { 159} ( segid " " and resid 163 and name HB% ) ( segid " " and resid 165 and name HG2%) 3.800 1.800 1.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.29468E-02 ppm1 1.119 ppm2 0.709 CV 1 OR { 159} ( segid " " and resid 163 and name HB% ) ( segid " " and resid 157 and name HG2%) ASSI { 165} (( segid " " and resid 159 and name HA )) (( segid " " and resid 162 and name H )) 3.400 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 3.842 ppm2 7.659 CV 1 OR { 165} (( segid " " and resid 159 and name HA )) (( segid " " and resid 161 and name H )) ASSI { 167} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 162 and name H )) 3.700 1.700 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.20240E-02 ppm1 1.514 ppm2 7.654 CV 1 OR { 167} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 161 and name H )) ASSI { 168} ( segid " " and resid 29 and name HB% ) ( segid " " and resid 39 and name HD% ) 3.500 1.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.27246E-02 ppm1 1.345 ppm2 6.912 CV 1 OR { 168} ( segid " " and resid 76 and name HB% ) (( segid " " and resid 78 and name H )) ASSI { 170} ( segid " " and resid 147 and name HB% ) ( segid " " and resid 154 and name HE% ) 4.100 2.100 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.10305E-02 ppm1 1.355 ppm2 6.640 CV 1 OR { 170} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 150 and name HZ3 )) ASSI { 171} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 125 and name HB )) 3.100 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.35596E-02 ppm1 1.356 ppm2 2.326 CV 1 OR { 171} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 148 and name HG3 )) OR { 171} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 153 and name HG2 )) ASSI { 172} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name H )) 3.300 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.17041E-02 ppm1 3.716 ppm2 8.231 CV 1 OR { 172} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name H )) OR { 172} (( segid " " and resid 147 and name HA )) (( segid " " and resid 152 and name H )) ASSI { 173} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HG2 )) 4.000 2.000 2.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 3.509 ppm2 1.759 CV 1 OR { 173} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HB2 )) OR { 173} (( segid " " and resid 143 and name HA )) (( segid " " and resid 144 and name HG3 )) ASSI { 174} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 93 and name HZ )) 3.000 1.100 1.100 peak 174 spectrum 1 weight 0.10000E+01 volume 0.21385E-02 ppm1 0.381 ppm2 6.877 CV 1 OR { 174} ( segid " " and resid 143 and name HB% ) ( segid " " and resid 154 and name HD% ) ASSI { 175} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 142 and name HA )) 4.000 2.000 2.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.13201E-02 ppm1 0.381 ppm2 3.791 CV 1 OR { 175} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 141 and name HA )) OR { 175} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 145 and name HB3 )) ASSI { 178} (( segid " " and resid 116 and name HA )) (( segid " " and resid 115 and name HB3 )) 4.000 2.000 2.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 4.041 ppm2 1.926 CV 1 OR { 178} (( segid " " and resid 116 and name HA )) (( segid " " and resid 118 and name HB3 )) OR { 178} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HB3 )) ASSI { 181} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 115 and name H )) 3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.32701E-02 ppm1 1.417 ppm2 7.900 CV 1 OR { 181} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 118 and name H )) ASSI { 182} ( segid " " and resid 105 and name HB% ) ( segid " " and resid 102 and name HG2%) 3.200 1.300 1.300 peak 182 spectrum 1 weight 0.10000E+01 volume 0.19129E-02 ppm1 1.589 ppm2 1.170 CV 1 OR { 182} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 108 and name HD2 )) OR { 182} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 108 and name HG2 )) OR { 182} ( segid " " and resid 105 and name HB% ) ( segid " " and resid 125 and name HG2%) ASSI { 183} ( segid " " and resid 105 and name HB% ) ( segid " " and resid 102 and name HG2%) 3.000 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.15121E-02 ppm1 1.593 ppm2 1.109 CV 1 OR { 183} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 108 and name HD2 )) ASSI { 184} ( segid " " and resid 103 and name HB% ) ( segid " " and resid 91 and name HD1%) 3.600 1.600 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 1.592 ppm2 0.736 CV 1 OR { 184} ( segid " " and resid 105 and name HB% ) ( segid " " and resid 91 and name HD2%) OR { 184} ( segid " " and resid 103 and name HB% ) ( segid " " and resid 91 and name HD2%) OR { 184} ( segid " " and resid 105 and name HB% ) ( segid " " and resid 91 and name HD1%) ASSI { 185} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 106 and name HG3 )) 3.500 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.33205E-02 ppm1 1.590 ppm2 2.058 CV 1 OR { 185} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 106 and name HG2 )) OR { 185} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 106 and name HG2 )) OR { 185} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 106 and name HG3 )) ASSI { 186} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 102 and name HA )) 3.400 1.400 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.18287E-02 ppm1 1.590 ppm2 3.484 CV 1 OR { 186} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 93 and name HB2 )) ASSI { 188} ( segid " " and resid 103 and name HB% ) ( segid " " and resid 107 and name HE% ) 2.600 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.77019E-02 ppm1 1.591 ppm2 7.311 CV 1 OR { 188} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 106 and name H )) ASSI { 189} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 102 and name H )) 4.500 2.600 1.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.94297E-03 ppm1 1.594 ppm2 8.286 CV 1 OR { 189} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 108 and name H )) ASSI { 192} ( segid " " and resid 77 and name HB% ) (( segid " " and resid 418 and name H )) 4.100 2.100 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.13538E-02 ppm1 1.225 ppm2 8.114 CV 1 OR { 192} ( segid " " and resid 77 and name HB% ) (( segid " " and resid 80 and name H )) ASSI { 193} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HB3 )) 4.100 2.100 1.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 3.974 ppm2 2.445 CV 1 OR { 193} (( segid " " and resid 77 and name HA )) (( segid " " and resid 417 and name HG3 )) ASSI { 194} ( segid " " and resid 29 and name HB% ) ( segid " " and resid 39 and name HE% ) 3.400 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.14650E-02 ppm1 1.346 ppm2 6.357 CV 1 OR { 194} ( segid " " and resid 76 and name HB% ) (( segid " " and resid 81 and name HD22)) ASSI { 196} (( segid " " and resid 13 and name HA )) (( segid " " and resid 63 and name H )) 4.600 2.700 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.73754E-03 ppm1 4.170 ppm2 8.156 CV 1 OR { 196} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name H )) ASSI { 199} (( segid " " and resid 176 and name HA )) (( segid " " and resid 122 and name HG3 )) 3.200 1.300 1.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 3.396 ppm2 1.916 CV 1 OR { 199} (( segid " " and resid 176 and name HA )) (( segid " " and resid 122 and name HG2 )) OR { 199} (( segid " " and resid 176 and name HA )) (( segid " " and resid 179 and name HB3 )) ASSI { 204} ( segid " " and resid 176 and name HD1%) (( segid " " and resid 176 and name HG12)) 2.100 0.500 0.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.12814E-01 ppm1 0.526 ppm2 0.697 CV 1 OR { 204} ( segid " " and resid 95 and name HD1%) ( segid " " and resid 95 and name HG2%) OR { 204} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 64 and name HD1%) ASSI { 206} ( segid " " and resid 176 and name HD1%) (( segid " " and resid 87 and name HB3 )) 2.800 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.32936E-02 ppm1 0.523 ppm2 1.932 CV 1 OR { 206} ( segid " " and resid 176 and name HD1%) (( segid " " and resid 87 and name HB2 )) OR { 206} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 17 and name HB )) OR { 206} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 64 and name HB )) ASSI { 207} ( segid " " and resid 176 and name HD1%) (( segid " " and resid 173 and name HA )) 2.600 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.23171E-02 ppm1 0.523 ppm2 3.353 CV 1 OR { 207} ( segid " " and resid 176 and name HD1%) (( segid " " and resid 176 and name HA )) ASSI { 209} ( segid " " and resid 176 and name HD1%) (( segid " " and resid 177 and name H )) 2.400 2.400 3.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.11383E-02 ppm1 0.525 ppm2 8.627 CV 1 OR { 209} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 65 and name H )) OR { 209} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 51 and name H )) ASSI { 216} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 123 and name H )) 3.900 1.900 1.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 0.708 ppm2 7.918 CV 1 OR { 216} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 118 and name H )) ASSI { 217} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 115 and name HA )) 2.300 2.300 3.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.14077E-02 ppm1 0.675 ppm2 4.565 CV 1 OR { 217} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 87 and name HA )) ASSI { 222} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 118 and name HB2 )) 3.200 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.28222E-02 ppm1 1.246 ppm2 1.908 CV 1 OR { 222} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 115 and name HB3 )) OR { 222} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 122 and name HG3 )) OR { 222} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 122 and name HG2 )) ASSI { 223} (( segid " " and resid 121 and name HG12)) (( segid " " and resid 115 and name HB3 )) 3.500 1.600 1.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.15963E-02 ppm1 0.980 ppm2 1.900 CV 1 OR { 223} (( segid " " and resid 121 and name HG12)) (( segid " " and resid 118 and name HB2 )) OR { 223} (( segid " " and resid 121 and name HG12)) (( segid " " and resid 122 and name HG2 )) OR { 223} (( segid " " and resid 121 and name HG12)) (( segid " " and resid 122 and name HG3 )) ASSI { 224} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 122 and name HG2 )) 3.800 1.800 1.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.23271E-02 ppm1 0.709 ppm2 1.913 CV 1 OR { 224} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 122 and name HG3 )) OR { 224} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 115 and name HB3 )) ASSI { 225} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 122 and name HB3 )) 4.200 2.200 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 0.710 ppm2 2.179 CV 1 OR { 225} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 118 and name HG3 )) OR { 225} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 118 and name HG2 )) ASSI { 227} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 115 and name HG2 )) 3.700 1.700 1.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.19365E-02 ppm1 -0.443 ppm2 1.486 CV 1 OR { 227} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 112 and name HG )) OR { 227} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 112 and name HB3 )) ASSI { 228} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 121 and name HG2%) 2.700 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.81062E-02 ppm1 -0.040 ppm2 0.733 CV 1 OR { 228} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 20 and name HG2%) OR { 228} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 123 and name HD1%) OR { 228} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 121 and name HD1%) ASSI { 232} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 129 and name HB3 )) 4.700 2.800 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 0.768 ppm2 1.383 CV 1 OR { 232} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 125 and name HG1%) ASSI { 233} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 132 and name HB2 )) 3.100 1.200 1.200 peak 233 spectrum 1 weight 0.10000E+01 volume 0.20341E-02 ppm1 0.470 ppm2 1.269 CV 1 OR { 233} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 136 and name HG2 )) ASSI { 234} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 128 and name HB3 )) 3.900 1.900 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.16940E-02 ppm1 0.467 ppm2 2.144 CV 1 OR { 234} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 133 and name HB2 )) OR { 234} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 156 and name HG2 )) OR { 234} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 97 and name HB2 )) OR { 234} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 97 and name HG3 )) ASSI { 235} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 156 and name HG2 )) 3.700 1.700 1.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.14919E-02 ppm1 0.761 ppm2 2.176 CV 1 OR { 235} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 156 and name HG3 )) OR { 235} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 128 and name HB3 )) OR { 235} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 97 and name HB2 )) OR { 235} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 135 and name HB3 )) ASSI { 237} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 129 and name HB2 )) 3.400 1.500 1.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.71395E-03 ppm1 0.474 ppm2 2.560 CV 1 OR { 237} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 128 and name HB2 )) ASSI { 239} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 130 and name HA )) 4.200 2.200 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 0.762 ppm2 3.758 CV 1 OR { 239} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 94 and name HB3 )) ASSI { 240} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 130 and name HB2 )) 4.300 2.300 1.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 0.763 ppm2 3.488 CV 1 OR { 240} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 136 and name HA )) OR { 240} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 94 and name HB2 )) ASSI { 242} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 129 and name H )) 3.800 1.800 1.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.27615E-02 ppm1 0.465 ppm2 7.154 CV 1 OR { 242} ( segid " " and resid 95 and name HD1%) ( segid " " and resid 93 and name HD% ) OR { 242} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 138 and name H )) ASSI { 244} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 93 and name HD% ) 3.700 1.700 1.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.20038E-02 ppm1 0.763 ppm2 7.167 CV 1 OR { 244} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 138 and name H )) ASSI { 246} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 128 and name H )) 3.600 1.600 1.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.15391E-02 ppm1 0.765 ppm2 8.672 CV 1 OR { 246} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 131 and name H )) ASSI { 247} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 131 and name H )) 3.800 1.800 1.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.11619E-02 ppm1 0.462 ppm2 8.637 CV 1 OR { 247} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 128 and name H )) ASSI { 248} (( segid " " and resid 95 and name HG13)) (( segid " " and resid 96 and name H )) 4.300 2.300 1.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.71060E-03 ppm1 1.056 ppm2 8.198 CV 1 OR { 248} (( segid " " and resid 95 and name HG13)) (( segid " " and resid 136 and name HE )) ASSI { 250} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 47 and name HE3 )) 2.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.27985E-02 ppm1 0.421 ppm2 2.780 CV 1 OR { 250} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 47 and name HE2 )) OR { 250} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 82 and name HB2 )) ASSI { 255} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 75 and name HE% ) 3.900 1.900 1.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.18994E-02 ppm1 0.418 ppm2 6.749 CV 1 OR { 255} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 413 and name HD2 )) OR { 255} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 82 and name HD% ) ASSI { 258} (( segid " " and resid 18 and name HG13)) (( segid " " and resid 430 and name HH2 )) 3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.86887E-03 ppm1 1.178 ppm2 6.695 CV 1 OR { 258} (( segid " " and resid 111 and name HG12)) ( segid " " and resid 89 and name HE% ) OR { 258} (( segid " " and resid 18 and name HG13)) ( segid " " and resid 89 and name HE% ) ASSI { 259} (( segid " " and resid 64 and name HB )) ( segid " " and resid 55 and name HG2%) 3.300 1.400 1.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.15761E-02 ppm1 1.996 ppm2 0.556 CV 1 OR { 259} (( segid " " and resid 64 and name HB )) ( segid " " and resid 66 and name HD1%) ASSI { 260} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 55 and name HG2%) 2.400 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.79006E-02 ppm1 0.992 ppm2 0.553 CV 1 OR { 260} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 66 and name HD1%) ASSI { 261} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 64 and name HD1%) 2.100 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.16714E-01 ppm1 0.993 ppm2 0.717 CV 1 OR { 261} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 55 and name HG1%) OR { 261} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 17 and name HG2%) ASSI { 262} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 169 and name HB3 )) 3.400 1.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.21385E-02 ppm1 0.993 ppm2 1.836 CV 1 OR { 262} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 173 and name HG2 )) OR { 262} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 115 and name HD3 )) OR { 262} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 115 and name HD2 )) ASSI { 263} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HB )) 2.400 0.700 0.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.97596E-02 ppm1 0.993 ppm2 1.564 CV 1 OR { 263} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HG13)) OR { 263} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 173 and name HE% ) ASSI { 265} ( segid " " and resid 64 and name HD1%) ( segid " " and resid 66 and name HD1%) 2.700 0.900 0.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.56342E-02 ppm1 0.740 ppm2 0.545 CV 1 OR { 265} ( segid " " and resid 64 and name HD1%) ( segid " " and resid 55 and name HG2%) ASSI { 266} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 64 and name HG13)) 2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.76111E-02 ppm1 0.739 ppm2 1.565 CV 1 OR { 266} ( segid " " and resid 64 and name HD1%) ( segid " " and resid 173 and name HE% ) ASSI { 267} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 173 and name HG3 )) 4.300 2.400 1.700 peak 267 spectrum 1 weight 0.10000E+01 volume 0.10844E-02 ppm1 1.000 ppm2 2.816 CV 1 OR { 267} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 82 and name HB2 )) OR { 267} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HB2 )) ASSI { 268} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 173 and name HG3 )) 3.300 1.400 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 0.736 ppm2 2.813 CV 1 OR { 268} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 65 and name HB2 )) ASSI { 269} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) 3.500 1.600 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.20307E-02 ppm1 0.993 ppm2 5.188 CV 1 OR { 269} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 63 and name HA )) ASSI { 271} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 83 and name HE% ) 3.400 1.400 1.400 peak 271 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 0.998 ppm2 7.354 CV 1 OR { 271} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 89 and name HZ )) ASSI { 272} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 34 and name HE% ) 2.500 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.46677E-02 ppm1 0.993 ppm2 6.859 CV 1 OR { 272} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 89 and name HD% ) ASSI { 273} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 430 and name HH2 )) 2.400 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.53917E-02 ppm1 0.994 ppm2 6.707 CV 1 OR { 273} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 89 and name HE% ) ASSI { 274} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name H )) 2.300 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.65805E-02 ppm1 0.993 ppm2 9.049 CV 1 OR { 274} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 53 and name H )) ASSI { 275} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 17 and name HA )) 4.100 2.100 1.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 0.994 ppm2 4.534 CV 1 OR { 275} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 87 and name HA )) OR { 275} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 85 and name HA )) OR { 275} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 67 and name HA )) ASSI { 276} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 54 and name HA )) 3.800 1.800 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 0.993 ppm2 4.971 CV 1 OR { 276} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HA )) ASSI { 279} (( segid " " and resid 28 and name HA )) ( segid " " and resid 46 and name HG2%) 3.500 1.600 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.25190E-02 ppm1 4.112 ppm2 0.763 CV 1 OR { 279} (( segid " " and resid 170 and name HA )) ( segid " " and resid 57 and name HD2%) OR { 279} (( segid " " and resid 170 and name HA )) ( segid " " and resid 64 and name HD1%) OR { 279} (( segid " " and resid 170 and name HA )) ( segid " " and resid 57 and name HD1%) OR { 279} (( segid " " and resid 28 and name HA )) ( segid " " and resid 30 and name HD1%) OR { 279} (( segid " " and resid 170 and name HA )) ( segid " " and resid 55 and name HG1%) ASSI { 281} (( segid " " and resid 170 and name HA )) (( segid " " and resid 173 and name HB2 )) 2.900 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.10676E-02 ppm1 4.115 ppm2 2.363 CV 1 OR { 281} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HB3 )) OR { 281} (( segid " " and resid 170 and name HA )) (( segid " " and resid 171 and name HB3 )) ASSI { 283} ( segid " " and resid 170 and name HD% ) (( segid " " and resid 169 and name H )) 3.700 1.700 1.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.16839E-02 ppm1 7.376 ppm2 6.637 CV 1 OR { 283} ( segid " " and resid 170 and name HD% ) (( segid " " and resid 34 and name HZ )) ASSI { 284} ( segid " " and resid 170 and name HD% ) (( segid " " and resid 169 and name HB2 )) 3.800 1.800 1.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 7.378 ppm2 2.122 CV 1 OR { 284} ( segid " " and resid 170 and name HD% ) (( segid " " and resid 55 and name HB )) ASSI { 286} ( segid " " and resid 170 and name HD% ) ( segid " " and resid 57 and name HD2%) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.61058E-02 ppm1 7.372 ppm2 0.763 CV 1 OR { 286} ( segid " " and resid 170 and name HD% ) ( segid " " and resid 57 and name HD1%) OR { 286} ( segid " " and resid 170 and name HD% ) ( segid " " and resid 55 and name HG1%) ASSI { 287} ( segid " " and resid 34 and name HE% ) (( segid " " and resid 53 and name HB2 )) 4.100 2.100 1.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.71395E-03 ppm1 6.869 ppm2 1.553 CV 1 OR { 287} ( segid " " and resid 34 and name HE% ) ( segid " " and resid 173 and name HE% ) OR { 287} ( segid " " and resid 34 and name HE% ) (( segid " " and resid 53 and name HB3 )) OR { 287} ( segid " " and resid 34 and name HE% ) (( segid " " and resid 64 and name HG13)) ASSI { 289} (( segid " " and resid 169 and name HB3 )) ( segid " " and resid 64 and name HD1%) 3.800 1.800 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.92613E-03 ppm1 1.912 ppm2 0.697 CV 1 OR { 289} (( segid " " and resid 169 and name HB3 )) ( segid " " and resid 17 and name HG2%) OR { 289} (( segid " " and resid 169 and name HB3 )) ( segid " " and resid 168 and name HG2%) OR { 289} (( segid " " and resid 169 and name HB3 )) ( segid " " and resid 17 and name HG1%) ASSI { 290} (( segid " " and resid 169 and name HB2 )) ( segid " " and resid 168 and name HG2%) 4.200 2.200 1.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.93624E-03 ppm1 2.130 ppm2 0.695 CV 1 OR { 290} (( segid " " and resid 169 and name HB2 )) ( segid " " and resid 64 and name HD1%) OR { 290} (( segid " " and resid 169 and name HB2 )) ( segid " " and resid 17 and name HG2%) ASSI { 291} ( segid " " and resid 89 and name HE% ) ( segid " " and resid 121 and name HG2%) 2.500 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.50818E-02 ppm1 6.731 ppm2 0.701 CV 1 OR { 291} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 168 and name HG2%) OR { 291} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 64 and name HD1%) OR { 291} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 17 and name HG2%) OR { 291} ( segid " " and resid 89 and name HE% ) ( segid " " and resid 121 and name HD1%) ASSI { 292} ( segid " " and resid 89 and name HE% ) ( segid " " and resid 18 and name HD1%) 2.800 1.000 1.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.20072E-02 ppm1 6.729 ppm2 0.997 CV 1 OR { 292} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 165 and name HG1%) ASSI { 293} ( segid " " and resid 89 and name HE% ) (( segid " " and resid 18 and name HB )) 3.500 1.600 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10709E-02 ppm1 6.726 ppm2 1.566 CV 1 OR { 293} ( segid " " and resid 89 and name HE% ) (( segid " " and resid 121 and name HB )) ASSI { 294} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 142 and name HG2 )) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.21183E-02 ppm1 6.703 ppm2 1.760 CV 1 OR { 294} ( segid " " and resid 89 and name HE% ) (( segid " " and resid 115 and name HD2 )) OR { 294} ( segid " " and resid 89 and name HE% ) (( segid " " and resid 115 and name HD3 )) OR { 294} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 142 and name HB2 )) OR { 294} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 142 and name HB3 )) ASSI { 295} (( segid " " and resid 80 and name HB3 )) ( segid " " and resid 114 and name HG1%) 3.600 1.600 1.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.10541E-02 ppm1 2.469 ppm2 1.177 CV 1 OR { 295} (( segid " " and resid 80 and name HB3 )) ( segid " " and resid 77 and name HB% ) ASSI { 297} (( segid " " and resid 164 and name HB3 )) ( segid " " and resid 155 and name HG1%) 3.100 1.200 1.200 peak 297 spectrum 1 weight 0.10000E+01 volume 0.30647E-02 ppm1 3.179 ppm2 0.642 CV 1 OR { 297} (( segid " " and resid 164 and name HB3 )) ( segid " " and resid 157 and name HG2%) OR { 297} (( segid " " and resid 164 and name HB3 )) ( segid " " and resid 155 and name HG2%) ASSI { 298} (( segid " " and resid 164 and name HB2 )) ( segid " " and resid 157 and name HG2%) 2.700 0.900 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.31387E-02 ppm1 2.722 ppm2 0.650 CV 1 OR { 298} (( segid " " and resid 164 and name HB2 )) ( segid " " and resid 155 and name HG1%) ASSI { 299} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name H )) 2.600 0.900 0.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.64594E-02 ppm1 0.962 ppm2 7.667 CV 1 OR { 299} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 162 and name H )) ASSI { 301} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 131 and name HA )) 2.700 2.700 3.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.18859E-02 ppm1 0.962 ppm2 4.489 CV 1 OR { 301} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 164 and name HA )) OR { 301} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 38 and name HA )) ASSI { 303} (( segid " " and resid 156 and name HA )) ( segid " " and resid 157 and name HG2%) 3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 5.130 ppm2 0.647 CV 1 OR { 303} (( segid " " and resid 156 and name HA )) ( segid " " and resid 155 and name HG1%) OR { 303} (( segid " " and resid 156 and name HA )) ( segid " " and resid 126 and name HG1%) OR { 303} (( segid " " and resid 156 and name HA )) ( segid " " and resid 155 and name HG2%) ASSI { 304} (( segid " " and resid 179 and name HD3 )) (( segid " " and resid 179 and name HE2 )) 2.100 0.500 0.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.13909E-01 ppm1 1.640 ppm2 3.088 CV 1 OR { 304} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HD2 )) OR { 304} (( segid " " and resid 179 and name HD2 )) (( segid " " and resid 179 and name HE3 )) OR { 304} (( segid " " and resid 179 and name HD2 )) (( segid " " and resid 179 and name HE2 )) OR { 304} (( segid " " and resid 179 and name HD3 )) (( segid " " and resid 179 and name HE3 )) OR { 304} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD3 )) OR { 304} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HD2 )) OR { 304} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HD3 )) OR { 304} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD3 )) OR { 304} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HD3 )) ASSI { 305} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 117 and name H )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.57184E-02 ppm1 2.168 ppm2 8.768 CV 1 OR { 305} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 141 and name H )) OR { 305} (( segid " " and resid 117 and name HG3 )) (( segid " " and resid 117 and name H )) OR { 305} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 117 and name H )) OR { 305} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 157 and name H )) OR { 305} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 157 and name H )) ASSI { 306} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 116 and name H )) 3.500 1.600 1.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.18489E-02 ppm1 2.170 ppm2 6.986 CV 1 OR { 306} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 142 and name H )) OR { 306} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 116 and name H )) OR { 306} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 116 and name H )) ASSI { 307} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 115 and name HE2 )) 3.600 1.600 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.19466E-02 ppm1 2.179 ppm2 3.122 CV 1 OR { 307} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 115 and name HE2 )) OR { 307} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 135 and name HD2 )) OR { 307} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 135 and name HD3 )) OR { 307} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 144 and name HD2 )) OR { 307} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 144 and name HD2 )) OR { 307} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 144 and name HD3 )) OR { 307} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 144 and name HD3 )) OR { 307} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 164 and name HB3 )) ASSI { 308} (( segid " " and resid 117 and name HG2 )) ( segid " " and resid 116 and name HB% ) 3.000 1.100 1.100 peak 308 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 2.177 ppm2 1.417 CV 1 OR { 308} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 115 and name HG2 )) OR { 308} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 115 and name HG2 )) OR { 308} (( segid " " and resid 148 and name HG2 )) ( segid " " and resid 147 and name HB% ) OR { 308} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 155 and name HB )) ASSI { 309} (( segid " " and resid 55 and name HB )) ( segid " " and resid 55 and name HG1%) 2.500 0.800 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.53816E-02 ppm1 2.173 ppm2 0.690 CV 1 OR { 309} (( segid " " and resid 118 and name HG2 )) ( segid " " and resid 121 and name HD1%) OR { 309} (( segid " " and resid 118 and name HG3 )) ( segid " " and resid 121 and name HD1%) OR { 309} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 154 and name HH )) OR { 309} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 154 and name HH )) OR { 309} (( segid " " and resid 118 and name HG2 )) ( segid " " and resid 121 and name HG2%) ASSI { 312} ( segid " " and resid 89 and name HD% ) ( segid " " and resid 121 and name HG2%) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34350E-02 ppm1 6.855 ppm2 0.699 CV 1 OR { 312} ( segid " " and resid 89 and name HD% ) ( segid " " and resid 20 and name HG2%) OR { 312} ( segid " " and resid 89 and name HD% ) ( segid " " and resid 123 and name HD1%) OR { 312} ( segid " " and resid 89 and name HD% ) ( segid " " and resid 121 and name HD1%) ASSI { 313} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 414 and name HG3 )) 3.400 1.500 1.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.15626E-02 ppm1 6.732 ppm2 1.458 CV 1 OR { 313} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 47 and name HB3 )) ASSI { 317} (( segid " " and resid 153 and name HA )) ( segid " " and resid 155 and name HG2%) 4.500 2.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 4.351 ppm2 0.699 CV 1 OR { 317} (( segid " " and resid 153 and name HA )) ( segid " " and resid 124 and name HD1%) OR { 317} (( segid " " and resid 153 and name HA )) ( segid " " and resid 124 and name HD2%) ASSI { 318} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 88 and name H )) 3.100 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.20846E-02 ppm1 1.930 ppm2 7.541 CV 1 OR { 318} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 88 and name H )) OR { 318} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 42 and name H )) OR { 318} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HE22)) ASSI { 319} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 155 and name HG2%) 2.800 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.67692E-02 ppm1 1.936 ppm2 0.690 CV 1 OR { 319} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 124 and name HD1%) OR { 319} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 176 and name HG12)) OR { 319} (( segid " " and resid 153 and name HB3 )) ( segid " " and resid 124 and name HD1%) OR { 319} (( segid " " and resid 153 and name HB3 )) ( segid " " and resid 155 and name HG2%) OR { 319} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 124 and name HD2%) OR { 319} (( segid " " and resid 153 and name HB3 )) ( segid " " and resid 124 and name HD2%) ASSI { 320} (( segid " " and resid 180 and name HA )) ( segid " " and resid 176 and name HG2%) 4.500 2.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 3.967 ppm2 0.814 CV 1 OR { 320} (( segid " " and resid 180 and name HA )) ( segid " " and resid 12 and name HD2%) ASSI { 321} (( segid " " and resid 149 and name HG3 )) (( segid " " and resid 149 and name HG2 )) 1.600 0.300 0.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.47197E-01 ppm1 2.338 ppm2 2.071 CV 1 OR { 321} (( segid " " and resid 149 and name HG3 )) (( segid " " and resid 149 and name HB3 )) OR { 321} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HB2 )) OR { 321} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 183 and name HB3 )) OR { 321} (( segid " " and resid 149 and name HG3 )) (( segid " " and resid 149 and name HB2 )) ASSI { 322} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 185 and name HG3 )) 3.600 1.600 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 2.354 ppm2 1.349 CV 1 OR { 322} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 185 and name HG2 )) OR { 322} (( segid " " and resid 148 and name HG3 )) ( segid " " and resid 147 and name HB% ) OR { 322} (( 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145 and name HB2 )) (( segid " " and resid 144 and name HB3 )) ASSI { 328} (( segid " " and resid 145 and name HB3 )) (( segid " " and resid 142 and name HB2 )) 3.600 1.600 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.14784E-02 ppm1 3.790 ppm2 1.717 CV 1 OR { 328} (( segid " " and resid 145 and name HB3 )) (( segid " " and resid 144 and name HB2 )) OR { 328} (( segid " " and resid 145 and name HB3 )) (( segid " " and resid 144 and name HB3 )) ASSI { 331} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name H )) 3.200 1.300 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.40312E-02 ppm1 2.246 ppm2 8.792 CV 1 OR { 331} (( segid " " and resid 117 and name HG3 )) (( segid " " and resid 117 and name H )) OR { 331} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 117 and name H )) OR { 331} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 157 and name H )) OR { 331} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 157 and name H )) ASSI { 332} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 156 and name H )) 3.500 1.500 1.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.19432E-02 ppm1 2.247 ppm2 8.247 CV 1 OR { 332} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name H )) OR { 332} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 119 and name H )) OR { 332} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 119 and name H )) OR { 332} (( segid " " and resid 109 and name HG3 )) (( segid " " and resid 108 and name H )) OR { 332} (( segid " " and resid 175 and name HG2 )) (( segid " " and resid 176 and name H )) OR { 332} (( segid " " and resid 175 and name HG2 )) (( segid " " and resid 174 and name H )) OR { 332} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 108 and name H )) ASSI { 333} (( segid " " and resid 55 and name HB )) (( segid " " and resid 56 and name H )) 3.000 1.200 1.200 peak 333 spectrum 1 weight 0.10000E+01 volume 0.33070E-02 ppm1 2.181 ppm2 8.289 CV 1 OR { 333} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 119 and name H )) OR { 333} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 119 and name H )) OR { 333} (( segid " " and resid 109 and name HG3 )) (( segid " " and resid 108 and name H )) OR { 333} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 74 and name H )) OR { 333} (( segid " " and resid 175 and name HG2 )) (( segid " " and resid 176 and name H )) OR { 333} (( segid " " and resid 175 and name HG2 )) (( segid " " and resid 174 and name H )) OR { 333} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 108 and name H )) ASSI { 334} (( segid " " and resid 156 and name HG3 )) ( segid " " and resid 154 and name HE% ) 3.400 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 2.160 ppm2 6.681 CV 1 OR { 334} (( segid " " and resid 156 and name HG2 )) ( segid " " and resid 154 and name HE% ) OR { 334} (( segid " " and resid 55 and name HB )) (( segid " " and resid 34 and name HZ )) OR { 334} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 133 and name H )) ASSI { 335} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 115 and name HE2 )) 3.900 1.900 1.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 2.248 ppm2 3.130 CV 1 OR { 335} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 135 and name HD2 )) OR { 335} (( segid " " and resid 175 and name HG2 )) (( segid " " and resid 179 and name HE2 )) OR { 335} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 88 and name HA2 )) OR { 335} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 88 and name HA2 )) OR { 335} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 135 and name HD3 )) OR { 335} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 135 and name HD2 )) OR { 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name HG3 )) ( segid " " and resid 62 and name HG1%) OR { 336} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 154 and name HH )) OR { 336} (( segid " " and resid 156 and name HG3 )) ( segid " " and resid 155 and name HG1%) OR { 336} (( segid " " and resid 175 and name HG2 )) ( segid " " and resid 172 and name HD1%) OR { 336} (( segid " " and resid 156 and name HG2 )) ( segid " " and resid 155 and name HG1%) OR { 336} (( segid " " and resid 118 and name HG3 )) ( segid " " and resid 121 and name HG2%) OR { 336} (( segid " " and resid 118 and name HG2 )) ( segid " " and resid 121 and name HG2%) OR { 336} (( segid " " and resid 156 and name HG2 )) ( segid " " and resid 157 and name HG2%) OR { 336} (( segid " " and resid 156 and name HG3 )) ( segid " " and resid 157 and name HG2%) OR { 336} (( segid " " and resid 156 and name HG3 )) ( segid " " and resid 155 and name HG2%) OR { 336} (( segid " " and resid 156 and name HG2 )) ( segid " " and resid 155 and name HG2%) OR { 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segid " " and resid 62 and name HG2%) 3.000 1.100 1.100 peak 338 spectrum 1 weight 0.10000E+01 volume 0.31051E-02 ppm1 2.163 ppm2 0.868 CV 1 OR { 338} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 108 and name HB2 )) OR { 338} (( segid " " and resid 156 and name HG3 )) ( segid " " and resid 140 and name HG2%) OR { 338} (( segid " " and resid 156 and name HG2 )) ( segid " " and resid 140 and name HG2%) OR { 338} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 108 and name HB3 )) OR { 338} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 108 and name HD3 )) OR { 338} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 72 and name HD1%) OR { 338} (( segid " " and resid 73 and name HG3 )) ( segid " " and resid 72 and name HD1%) ASSI { 340} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.22058E-02 ppm1 3.666 ppm2 1.280 CV 1 OR { 340} (( segid " " and resid 133 and name HA )) (( segid " " and resid 136 and name HG2 )) ASSI { 344} (( segid " " and resid 95 and name HG12)) (( segid " " and resid 96 and name HA )) 3.600 1.600 1.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.10945E-02 ppm1 0.868 ppm2 4.492 CV 1 OR { 344} ( segid " " and resid 132 and name HD2%) (( segid " " and resid 96 and name HB )) OR { 344} ( segid " " and resid 132 and name HD2%) (( segid " " and resid 135 and name HA )) OR { 344} (( segid " " and resid 95 and name HG12)) (( segid " " and resid 96 and name HB )) ASSI { 346} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 122 and name HB3 )) 3.400 1.500 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.41761E-02 ppm1 0.642 ppm2 2.235 CV 1 OR { 346} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 175 and name HB3 )) OR { 346} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 175 and name HG2 )) ASSI { 348} (( segid " " and resid 128 and name HA )) ( segid " " and resid 126 and name HG1%) 3.500 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.16872E-02 ppm1 5.472 ppm2 0.654 CV 1 OR { 348} (( segid " " and resid 128 and name HA )) ( segid " " and resid 157 and name HG2%) OR { 348} (( segid " " and resid 128 and name HA )) ( segid " " and resid 92 and name HG1%) OR { 348} (( segid " " and resid 128 and name HA )) ( segid " " and resid 132 and name HD1%) ASSI { 352} (( segid " " and resid 124 and name HG )) (( segid " " and resid 125 and name H )) 3.000 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.54523E-02 ppm1 1.613 ppm2 8.297 CV 1 OR { 352} (( segid " " and resid 120 and name HD3 )) (( segid " " and resid 121 and name H )) OR { 352} (( segid " " and resid 120 and name HD2 )) (( segid " " and resid 121 and name H )) OR { 352} (( segid " " and resid 124 and name HG )) (( segid " " and resid 124 and name H )) ASSI { 355} ( segid " " and resid 123 and name HD1%) ( segid " " and resid 152 and name HG1%) 2.800 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.11134E-01 ppm1 0.670 ppm2 1.037 CV 1 OR { 355} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 152 and name HG2%) OR { 355} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 152 and name HG1%) ASSI { 356} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 108 and name HG2 )) 2.800 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10474E-01 ppm1 0.672 ppm2 1.222 CV 1 OR { 356} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 111 and name HB )) OR { 356} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 125 and name HG2%) ASSI { 357} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name HB2 )) 2.400 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.95912E-02 ppm1 0.747 ppm2 1.371 CV 1 OR { 357} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 172 and name HB3 )) ASSI { 358} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HB3 )) 2.600 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.12265E-01 ppm1 0.665 ppm2 1.407 CV 1 OR { 358} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 172 and name HB3 )) ASSI { 359} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name HG )) 1.800 0.400 0.400 peak 359 spectrum 1 weight 0.10000E+01 volume 0.24897E-01 ppm1 0.667 ppm2 1.626 CV 1 OR { 359} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 123 and name HG )) OR { 359} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 123 and name HB2 )) ASSI { 360} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 153 and name HB2 )) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.10591E-01 ppm1 0.748 ppm2 1.940 CV 1 OR { 360} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 90 and name HB3 )) OR { 360} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 153 and name HB3 )) ASSI { 361} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 152 and name HB )) 3.000 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.58835E-02 ppm1 0.668 ppm2 2.681 CV 1 OR { 361} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 89 and name HB2 )) OR { 361} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 171 and name HB2 )) ASSI { 364} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 171 and name HA )) 3.700 1.800 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.30782E-02 ppm1 0.747 ppm2 4.357 CV 1 OR { 364} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 153 and name HA )) ASSI { 365} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 122 and name HA )) 3.300 1.300 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.16771E-02 ppm1 0.666 ppm2 4.357 CV 1 OR { 365} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 153 and name HA )) ASSI { 366} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name HA )) 3.700 1.700 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.21217E-02 ppm1 0.666 ppm2 4.927 CV 1 OR { 366} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 152 and name HA )) ASSI { 367} ( segid " " and resid 91 and name HD2%) (( segid " " and resid 150 and name HH2 )) 3.900 1.900 1.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.16266E-02 ppm1 0.762 ppm2 6.818 CV 1 OR { 367} ( segid " " and resid 91 and name HD2%) ( segid " " and resid 89 and name HD% ) OR { 367} ( segid " " and resid 91 and name HD2%) (( segid " " and resid 108 and name HE )) ASSI { 368} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 150 and name HZ3 )) 4.100 2.100 1.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.15020E-02 ppm1 0.668 ppm2 6.626 CV 1 OR { 368} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 169 and name H )) OR { 368} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 150 and name HZ3 )) ASSI { 369} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 153 and name HE22)) 3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.26842E-02 ppm1 0.664 ppm2 7.509 CV 1 OR { 369} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 172 and name H )) ASSI { 370} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 125 and name H )) 3.200 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.54893E-02 ppm1 0.748 ppm2 8.254 CV 1 OR { 370} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 124 and name H )) OR { 370} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 155 and name H )) ASSI { 371} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 125 and name H )) 2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.97867E-02 ppm1 0.666 ppm2 8.267 CV 1 OR { 371} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 124 and name H )) OR { 371} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 124 and name H )) ASSI { 374} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HD2 )) 2.100 0.500 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.10622E-01 ppm1 1.618 ppm2 3.140 CV 1 OR { 374} (( segid " " and resid 144 and name HG3 )) (( segid " " and resid 144 and name HD2 )) OR { 374} (( segid " " and resid 144 and name HG3 )) (( segid " " and resid 144 and name HD3 )) OR { 374} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HD3 )) ASSI { 375} (( segid " " and resid 123 and name HG )) ( segid " " and resid 89 and name HD% ) 3.600 1.600 1.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.90256E-03 ppm1 1.627 ppm2 6.900 CV 1 OR { 375} (( segid " " and resid 32 and name HG )) ( segid " " and resid 36 and name HD% ) OR { 375} (( segid " " and resid 32 and name HG )) ( segid " " and resid 43 and name HE% ) ASSI { 376} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 150 and name HE3 )) 3.900 1.900 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.69376E-03 ppm1 1.628 ppm2 6.910 CV 1 OR { 376} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 89 and name HD% ) ASSI { 381} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.66310E-02 ppm1 1.912 ppm2 4.262 CV 1 OR { 381} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HA )) ASSI { 382} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 113 and name H )) 3.600 1.600 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.72406E-03 ppm1 1.305 ppm2 7.672 CV 1 OR { 382} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 114 and name H )) ASSI { 383} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 113 and name H )) 4.300 2.300 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.11787E-02 ppm1 0.535 ppm2 7.654 CV 1 OR { 383} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 110 and name H )) OR { 383} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 114 and name H )) ASSI { 386} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 109 and name HG2 )) 3.100 1.200 1.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 0.477 ppm2 2.212 CV 1 OR { 386} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 118 and name HG2 )) OR { 386} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 118 and name HG3 )) OR { 386} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 114 and name HB )) OR { 386} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 117 and name HG2 )) ASSI { 390} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 111 and name HG12)) 4.400 2.400 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 2.418 ppm2 1.173 CV 1 OR { 390} (( segid " " and resid 110 and name HG2 )) ( segid " " and resid 114 and name HG1%) ASSI { 391} (( segid " " and resid 107 and name HA )) ( segid " " and resid 107 and name HE% ) 4.500 2.500 1.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 4.197 ppm2 7.322 CV 1 OR { 391} (( segid " " and resid 107 and name HA )) (( segid " " and resid 106 and name H )) ASSI { 392} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 38 and name HB3 )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.42938E-02 ppm1 2.056 ppm2 1.577 CV 1 OR { 392} (( segid " " and resid 106 and name HG2 )) ( segid " " and resid 103 and name HB% ) ASSI { 393} (( segid " " and resid 102 and name HB )) ( segid " " and resid 103 and name HB% ) 3.800 1.800 1.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.20947E-02 ppm1 4.152 ppm2 1.586 CV 1 OR { 393} (( segid " " and resid 102 and name HB )) ( segid " " and resid 104 and name HG2%) ASSI { 394} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 99 and name HG2 )) 3.700 1.700 1.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.18927E-02 ppm1 1.140 ppm2 2.422 CV 1 OR { 394} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 101 and name HB3 )) ASSI { 395} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name H )) 3.200 1.300 1.300 peak 395 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 3.827 ppm2 7.198 CV 1 OR { 395} (( segid " " and resid 101 and name HA )) ( segid " " and resid 93 and name HD% ) ASSI { 396} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 110 and name HG2 )) 3.700 1.700 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.89581E-03 ppm1 7.311 ppm2 2.429 CV 1 OR { 396} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 89 and name HB3 )) ASSI { 397} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 139 and name HD2 )) 4.200 2.200 1.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 7.354 ppm2 3.758 CV 1 OR { 397} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 101 and name HA )) ASSI { 398} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 101 and name HB3 )) 4.100 2.100 1.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.60955E-03 ppm1 7.357 ppm2 2.423 CV 1 OR { 398} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 137 and name HG2 )) ASSI { 399} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 137 and name HG2 )) 4.200 2.200 1.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13336E-02 ppm1 3.248 ppm2 2.430 CV 1 OR { 399} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 101 and name HB3 )) ASSI { 400} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 183 and name H )) 3.300 1.300 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.39536E-02 ppm1 2.369 ppm2 7.714 CV 1 OR { 400} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 149 and name H )) OR { 400} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 185 and name H )) ASSI { 401} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 135 and name H )) 3.800 1.800 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 0.971 ppm2 7.977 CV 1 OR { 401} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 132 and name H )) ASSI { 402} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 136 and name H )) 3.900 1.900 1.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.99348E-03 ppm1 0.971 ppm2 7.394 CV 1 OR { 402} ( segid " " and resid 96 and name HG2%) ( segid " " and resid 93 and name HE% ) ASSI { 403} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 136 and name HA )) 3.500 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.13303E-02 ppm1 0.974 ppm2 3.457 CV 1 OR { 403} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 94 and name HB2 )) ASSI { 405} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 129 and name HB3 )) 2.900 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.56780E-02 ppm1 0.974 ppm2 1.472 CV 1 OR { 405} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 132 and name HG )) ASSI { 409} (( segid " " and resid 94 and name HB3 )) ( segid " " and resid 25 and name HG2%) 4.000 2.000 2.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.92949E-03 ppm1 3.725 ppm2 0.936 CV 1 OR { 409} (( segid " " and resid 94 and name HB3 )) ( segid " " and resid 96 and name HG2%) ASSI { 410} (( segid " " and resid 88 and name HA2 )) ( segid " " and resid 172 and name HD1%) 3.500 1.600 1.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.12090E-02 ppm1 3.185 ppm2 0.649 CV 1 OR { 410} (( segid " " and resid 88 and name HA2 )) (( segid " " and resid 176 and name HG12)) OR { 410} (( segid " " and resid 88 and name HA2 )) ( segid " " and resid 121 and name HG2%) OR { 410} (( segid " " and resid 88 and name HA2 )) ( segid " " and resid 17 and name HG1%) ASSI { 418} (( segid " " and resid 61 and name HB3 )) ( segid " " and resid 56 and name HG1%) 3.500 1.600 1.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.43645E-02 ppm1 1.841 ppm2 0.804 CV 1 OR { 418} (( segid " " and resid 61 and name HB3 )) ( segid " " and resid 62 and name HG2%) OR { 418} (( segid " " and resid 133 and name HB3 )) ( segid " " and resid 132 and name HD2%) ASSI { 421} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 62 and name HG2%) 3.400 1.400 1.400 peak 421 spectrum 1 weight 0.10000E+01 volume 0.28795E-02 ppm1 1.773 ppm2 0.869 CV 1 OR { 421} (( segid " " and resid 97 and name HB3 )) ( segid " " and resid 25 and name HG2%) OR { 421} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 176 and name HG2%) ASSI { 422} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 64 and name HD1%) 4.400 2.500 1.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.77122E-03 ppm1 2.595 ppm2 0.749 CV 1 OR { 422} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 55 and name HG1%) OR { 422} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 165 and name HG2%) OR { 422} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 32 and name HD2%) OR { 422} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 32 and name HD1%) ASSI { 427} (( segid " " and resid 54 and name HD2 )) ( segid " " and resid 56 and name HG1%) 3.400 1.500 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.51122E-02 ppm1 1.503 ppm2 0.803 CV 1 OR { 427} (( segid " " and resid 54 and name HD3 )) ( segid " " and resid 56 and name HG1%) OR { 427} (( segid " " and resid 54 and name HD2 )) ( segid " " and resid 62 and name HG2%) OR { 427} (( segid " " and resid 54 and name HD3 )) ( segid " " and resid 62 and name HG2%) ASSI { 428} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HE3 )) 3.100 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.20981E-02 ppm1 0.551 ppm2 2.091 CV 1 OR { 428} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 16 and name HE3 )) ASSI { 429} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 12 and name H )) 3.400 1.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.35395E-02 ppm1 0.798 ppm2 8.233 CV 1 OR { 429} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 181 and name H )) ASSI { 434} ( segid " " and resid 12 and name HD1%) ( segid " " and resid 181 and name HE% ) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.50314E-02 ppm1 0.795 ppm2 2.081 CV 1 OR { 434} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 177 and name HB3 )) ASSI { 437} ( segid " " and resid 12 and name HD2%) ( segid " " and resid 181 and name HE% ) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.44859E-02 ppm1 0.834 ppm2 2.054 CV 1 OR { 437} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HE3 )) OR { 437} ( segid " " and resid 12 and name HD2%) (( segid " " and resid 181 and name HB3 )) ASSI { 440} (( segid " " and resid 113 and name HG3 )) ( segid " " and resid 114 and name HG1%) 3.300 1.400 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.28222E-02 ppm1 1.619 ppm2 1.217 CV 1 OR { 440} (( segid " " and resid 12 and name HG )) ( segid " " and resid 13 and name HB% ) ASSI { 441} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name H )) 3.600 1.600 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.10541E-02 ppm1 3.812 ppm2 8.458 CV 1 OR { 441} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name H )) OR { 441} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name H )) OR { 441} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name H )) OR { 441} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 11 and name H )) ASSI { 443} (( segid " " and resid 34 and name HA )) ( segid " " and resid 165 and name HG1%) 3.700 1.800 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.18758E-02 ppm1 3.765 ppm2 1.018 CV 1 OR { 443} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HB3 )) OR { 443} (( segid " " and resid 34 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 444} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name HB3 )) 4.500 2.600 1.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 2.243 ppm2 1.064 CV 1 OR { 444} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 165 and name HG1%) OR { 444} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 64 and name HG2%) ASSI { 446} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HD2 )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.60989E-02 ppm1 3.991 ppm2 1.637 CV 1 OR { 446} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HD3 )) OR { 446} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HD2 )) OR { 446} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HD3 )) ASSI { 448} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 96 and name HG2%) 2.700 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.23036E-02 ppm1 1.653 ppm2 0.945 CV 1 OR { 448} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 140 and name HG2%) OR { 448} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 121 and name HG12)) OR { 448} (( segid " " and resid 144 and name HB3 )) ( segid " " and resid 140 and name HG2%) ASSI { 450} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HG2 )) 3.100 1.200 1.200 peak 450 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 3.426 ppm2 1.160 CV 1 OR { 450} (( segid " " and resid 162 and name HA )) ( segid " " and resid 163 and name HB% ) ASSI { 452} (( segid " " and resid 144 and name HA )) (( segid " " and resid 148 and name H )) 3.700 1.700 1.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10069E-02 ppm1 3.519 ppm2 8.161 CV 1 OR { 452} (( segid " " and resid 144 and name HA )) (( segid " " and resid 154 and name H )) ASSI { 454} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 150 and name HZ2 )) 3.600 1.600 1.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 0.942 ppm2 7.043 CV 1 OR { 454} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 146 and name H )) ASSI { 456} (( segid " " and resid 146 and name HD3 )) (( segid " " and resid 149 and name H )) 4.400 2.400 1.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 0.932 ppm2 7.743 CV 1 OR { 456} (( segid " " and resid 146 and name HD3 )) (( segid " " and resid 147 and name H )) OR { 456} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 147 and name H )) OR { 456} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 149 and name H )) ASSI { 458} (( segid " " and resid 168 and name HB )) ( segid " " and resid 126 and name HG2%) 2.900 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 1.678 ppm2 0.501 CV 1 OR { 458} (( segid " " and resid 168 and name HB )) ( segid " " and resid 90 and name HD2%) ASSI { 459} (( segid " " and resid 144 and name HG2 )) ( segid " " and resid 154 and name HE% ) 4.000 2.000 2.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.88235E-03 ppm1 1.608 ppm2 6.686 CV 1 OR { 459} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 143 and name H )) ASSI { 463} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HG2 )) 1.800 0.400 0.400 peak 463 spectrum 1 weight 0.10000E+01 volume 0.32229E-01 ppm1 3.153 ppm2 1.574 CV 1 OR { 463} (( segid " " and resid 113 and name HD2 )) (( segid " " and resid 113 and name HG3 )) OR { 463} (( segid " " and resid 113 and name HD3 )) (( segid " " and resid 113 and name HG2 )) OR { 463} (( segid " " and resid 135 and name HD3 )) (( segid " " and resid 135 and name HG3 )) OR { 463} (( segid " " and resid 135 and name HD3 )) (( segid " " and resid 135 and name HG2 )) OR { 463} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HG3 )) OR { 463} (( segid " " and resid 113 and name HD3 )) (( segid " " and resid 113 and name HG3 )) OR { 463} (( segid " " and resid 113 and name HD2 )) (( segid " " and resid 113 and name HG2 )) OR { 463} (( segid " " and resid 144 and name HD2 )) (( segid " " and resid 144 and name HG2 )) ASSI { 467} (( segid " " and resid 53 and name HG3 )) (( segid " " and resid 53 and name HB2 )) 1.700 0.400 0.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.37359E-01 ppm1 1.264 ppm2 1.645 CV 1 OR { 467} (( segid " " and resid 120 and name HG3 )) (( segid " " and resid 120 and name HB3 )) OR { 467} (( segid " " and resid 120 and name HG3 )) (( segid " " and resid 120 and name HB2 )) OR { 467} (( segid " " and resid 120 and name HG2 )) (( segid " " and resid 120 and name HB3 )) OR { 467} (( segid " " and resid 120 and name HG2 )) (( segid " " and resid 120 and name HD2 )) OR { 467} (( segid " " and resid 120 and name HG3 )) (( segid " " and resid 120 and name HD3 )) OR { 467} (( segid " " and resid 120 and name HG2 )) (( segid " " and resid 120 and name HD3 )) OR { 467} (( segid " " and resid 120 and name HG3 )) (( segid " " and resid 120 and name HD2 )) OR { 467} (( segid " " and resid 53 and name HG3 )) (( segid " " and resid 53 and name HB3 )) ASSI { 469} (( segid " " and resid 32 and name HG )) (( segid " " and resid 32 and name H )) 3.800 1.800 1.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.11989E-02 ppm1 1.609 ppm2 9.075 CV 1 OR { 469} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 134 and name H )) OR { 469} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 134 and name H )) ASSI { 471} (( segid " " and resid 180 and name HG2 )) ( segid " " and resid 176 and name HG2%) 3.100 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.23068E-02 ppm1 1.346 ppm2 0.822 CV 1 OR { 471} (( segid " " and resid 180 and name HG2 )) ( segid " " and resid 12 and name HD2%) ASSI { 474} ( segid " " and resid 181 and name HE% ) (( segid " " and resid 182 and name H )) 2.200 2.200 3.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.17276E-02 ppm1 2.053 ppm2 7.722 CV 1 OR { 474} ( segid " " and resid 181 and name HE% ) (( segid " " and resid 179 and name H )) ASSI { 480} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 177 and name HE )) 3.500 1.500 1.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.26100E-02 ppm1 0.800 ppm2 7.325 CV 1 OR { 480} ( segid " " and resid 12 and name HD1%) (( segid " " and resid 15 and name HE1 )) ASSI { 484} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HE2 )) 2.800 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.31051E-02 ppm1 0.550 ppm2 2.269 CV 1 OR { 484} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 16 and name HE2 )) OR { 484} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 65 and name HB3 )) ASSI { 485} (( segid " " and resid 15 and name HA )) ( segid " " and resid 176 and name HD1%) 3.900 1.900 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.86214E-03 ppm1 5.340 ppm2 0.525 CV 1 OR { 485} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HD2 )) OR { 485} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HG3 )) ASSI { 486} (( segid " " and resid 15 and name HA )) (( segid " " and resid 176 and name HG12)) 4.700 2.800 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.87897E-03 ppm1 5.350 ppm2 0.735 CV 1 OR { 486} (( segid " " and resid 15 and name HA )) ( segid " " and resid 64 and name HD1%) ASSI { 487} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 17 and name HG2%) 3.700 1.700 1.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 2.659 ppm2 0.709 CV 1 OR { 487} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 64 and name HD1%) OR { 487} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 62 and name HG1%) OR { 487} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 176 and name HG12)) ASSI { 488} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 64 and name HD1%) 4.000 2.000 2.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.93624E-03 ppm1 2.713 ppm2 0.709 CV 1 OR { 488} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 62 and name HG1%) OR { 488} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 17 and name HG2%) ASSI { 490} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 68 and name HA )) 4.000 2.000 2.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.78132E-03 ppm1 0.912 ppm2 4.686 CV 1 OR { 490} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 83 and name HA )) ASSI { 491} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 83 and name HD% ) 3.800 1.800 1.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.17276E-02 ppm1 0.923 ppm2 7.114 CV 1 OR { 491} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 430 and name HZ2 )) ASSI { 492} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 20 and name HB )) 3.700 1.700 1.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.18186E-02 ppm1 0.924 ppm2 1.824 CV 1 OR { 492} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 19 and name HE% ) OR { 492} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 115 and name HD3 )) ASSI { 493} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 30 and name HD1%) 3.300 1.300 1.300 peak 493 spectrum 1 weight 0.10000E+01 volume 0.27985E-02 ppm1 1.806 ppm2 0.809 CV 1 OR { 493} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 66 and name HG2%) ASSI { 494} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 30 and name HB3 )) 3.200 1.300 1.300 peak 494 spectrum 1 weight 0.10000E+01 volume 0.28592E-02 ppm1 1.805 ppm2 1.137 CV 1 OR { 494} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 90 and name HG )) ASSI { 496} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 34 and name HB2 )) 3.700 1.700 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.20004E-02 ppm1 1.804 ppm2 2.561 CV 1 OR { 496} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 128 and name HB2 )) ASSI { 499} (( segid " " and resid 20 and name HB )) ( segid " " and resid 83 and name HE% ) 4.000 2.100 2.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.93624E-03 ppm1 1.809 ppm2 7.274 CV 1 OR { 499} (( segid " " and resid 20 and name HB )) ( segid " " and resid 107 and name HE% ) ASSI { 501} ( segid " " and resid 29 and name HB% ) ( segid " " and resid 40 and name HG1%) 3.000 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.40650E-02 ppm1 1.350 ppm2 0.723 CV 1 OR { 501} ( segid " " and resid 29 and name HB% ) ( segid " " and resid 40 and name HG2%) OR { 501} ( segid " " and resid 29 and name HB% ) ( segid " " and resid 30 and name HD1%) ASSI { 506} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 64 and name HD1%) 4.500 2.500 1.500 peak 506 spectrum 1 weight 0.10000E+01 volume 0.66344E-03 ppm1 2.215 ppm2 0.758 CV 1 OR { 506} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 55 and name HG1%) OR { 506} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 32 and name HD2%) OR { 506} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 165 and name HG2%) ASSI { 509} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 51 and name HB3 )) 3.500 1.500 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.12023E-02 ppm1 1.657 ppm2 2.458 CV 1 OR { 509} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 36 and name HB3 )) ASSI { 512} ( segid " " and resid 36 and name HD% ) ( segid " " and resid 35 and name HE% ) 3.800 1.800 1.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.92613E-03 ppm1 6.947 ppm2 1.666 CV 1 OR { 512} ( segid " " and resid 36 and name HD% ) (( segid " " and resid 32 and name HG )) ASSI { 517} ( segid " " and resid 39 and name HD% ) (( segid " " and resid 160 and name HA )) 3.600 1.600 1.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.12225E-02 ppm1 6.919 ppm2 2.165 CV 1 OR { 517} ( segid " " and resid 39 and name HD% ) (( segid " " and resid 41 and name HG2 )) OR { 517} ( segid " " and resid 39 and name HD% ) (( segid " " and resid 41 and name HG3 )) OR { 517} ( segid " " and resid 39 and name HD% ) (( segid " " and resid 162 and name HB2 )) ASSI { 519} ( segid " " and resid 39 and name HE% ) ( segid " " and resid 29 and name HB% ) 3.500 1.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.13201E-02 ppm1 6.350 ppm2 1.353 CV 1 OR { 519} ( segid " " and resid 39 and name HE% ) (( segid " " and resid 160 and name HD3 )) ASSI { 523} ( segid " " and resid 57 and name HD2%) (( segid " " and resid 174 and name HG3 )) 3.600 1.700 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.15054E-02 ppm1 0.782 ppm2 2.088 CV 1 OR { 523} ( segid " " and resid 57 and name HD2%) (( segid " " and resid 55 and name HB )) ASSI { 524} ( segid " " and resid 57 and name HD2%) (( segid " " and resid 57 and name HG )) 2.300 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.93152E-02 ppm1 0.772 ppm2 1.219 CV 1 OR { 524} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 57 and name HG )) OR { 524} ( segid " " and resid 91 and name HD1%) ( segid " " and resid 125 and name HG2%) ASSI { 525} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 166 and name HB3 )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.14077E-02 ppm1 0.776 ppm2 2.351 CV 1 OR { 525} ( segid " " and resid 57 and name HD1%) (( segid " " and resid 173 and name HB2 )) ASSI { 526} (( segid " " and resid 62 and name HB )) ( segid " " and resid 64 and name HG2%) 4.300 2.300 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.89246E-03 ppm1 1.831 ppm2 1.019 CV 1 OR { 526} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 64 and name HG2%) ASSI { 527} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 17 and name HG2%) 3.000 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.68400E-02 ppm1 0.833 ppm2 0.685 CV 1 OR { 527} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 17 and name HG1%) OR { 527} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 64 and name HD1%) ASSI { 528} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 17 and name HB )) 3.600 1.700 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 0.834 ppm2 1.935 CV 1 OR { 528} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 169 and name HB3 )) OR { 528} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 64 and name HB )) ASSI { 532} ( segid " " and resid 67 and name HD2%) ( segid " " and resid 82 and name HD% ) 3.300 1.400 1.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.14919E-02 ppm1 -0.302 ppm2 6.736 CV 1 OR { 532} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 430 and name HH2 )) OR { 532} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 430 and name HZ3 )) ASSI { 533} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 18 and name HB )) 4.300 2.300 1.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 -0.295 ppm2 1.517 CV 1 OR { 533} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 429 and name HB3 )) ASSI { 534} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 16 and name HG3 )) 2.600 2.600 3.400 peak 534 spectrum 1 weight 0.10000E+01 volume 0.75169E-02 ppm1 -0.301 ppm2 0.556 CV 1 OR { 534} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 16 and name HD2 )) OR { 534} ( segid " " and resid 67 and name HD2%) ( segid " " and resid 416 and name HD2%) ASSI { 535} (( segid " " and resid 89 and name HB3 )) ( segid " " and resid 123 and name HD2%) 4.100 2.100 1.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 2.431 ppm2 0.586 CV 1 OR { 535} (( segid " " and resid 89 and name HB3 )) ( segid " " and resid 172 and name HD2%) OR { 535} (( segid " " and resid 89 and name HB3 )) ( segid " " and resid 172 and name HD1%) ASSI { 536} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 79 and name HB3 )) 4.000 2.000 2.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 1.049 ppm2 1.593 CV 1 OR { 536} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 78 and name HB )) OR { 536} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 70 and name HB% ) ASSI { 538} ( segid " " and resid 70 and name HB% ) ( segid " " and resid 75 and name HE% ) 4.700 2.700 1.300 peak 538 spectrum 1 weight 0.10000E+01 volume 0.13000E-02 ppm1 1.599 ppm2 6.711 CV 1 OR { 538} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 417 and name HE22)) ASSI { 543} (( segid " " and resid 84 and name HG3 )) ( segid " " and resid 114 and name HG2%) 3.900 1.900 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.14414E-02 ppm1 1.705 ppm2 1.064 CV 1 OR { 543} (( segid " " and resid 84 and name HG3 )) ( segid " " and resid 18 and name HD1%) ASSI { 544} ( segid " " and resid 169 and name HD% ) (( segid " " and resid 169 and name HA )) 3.300 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 6.731 ppm2 3.652 CV 1 OR { 544} ( segid " " and resid 89 and name HE% ) (( segid " " and resid 83 and name HB2 )) ASSI { 545} (( segid " " and resid 90 and name HG )) (( segid " " and resid 90 and name HB2 )) 2.500 0.800 0.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.31791E-02 ppm1 1.106 ppm2 0.623 CV 1 OR { 545} (( segid " " and resid 90 and name HG )) ( segid " " and resid 172 and name HD2%) OR { 545} (( segid " " and resid 90 and name HG )) ( segid " " and resid 172 and name HD1%) ASSI { 546} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 172 and name HB2 )) 2.500 0.800 0.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.34115E-02 ppm1 0.450 ppm2 1.655 CV 1 OR { 546} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 168 and name HB )) OR { 546} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 124 and name HG )) ASSI { 547} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 169 and name HA )) 3.400 1.500 1.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 0.452 ppm2 3.660 CV 1 OR { 547} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 168 and name HA )) ASSI { 549} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 124 and name H )) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.16131E-02 ppm1 0.452 ppm2 8.246 CV 1 OR { 549} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 173 and name H )) OR { 549} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 125 and name H )) ASSI { 551} ( segid " " and resid 31 and name HG2%) ( segid " " and resid 66 and name HG2%) 2.400 0.700 0.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.76987E-02 ppm1 0.533 ppm2 0.820 CV 1 OR { 551} ( segid " " and resid 92 and name HG2%) ( segid " " and resid 30 and name HD1%) ASSI { 552} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 91 and name H )) 3.400 1.400 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 0.548 ppm2 8.498 CV 1 OR { 552} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 35 and name H )) ASSI { 553} ( segid " " and resid 93 and name HD% ) ( segid " " and resid 138 and name HG1%) 3.800 1.800 1.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 7.193 ppm2 0.715 CV 1 OR { 553} ( segid " " and resid 93 and name HD% ) ( segid " " and resid 95 and name HG2%) OR { 553} ( segid " " and resid 93 and name HD% ) ( segid " " and resid 92 and name HG1%) OR { 553} ( segid " " and resid 93 and name HD% ) ( segid " " and resid 126 and name HG1%) ASSI { 554} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 25 and name HG2%) 4.100 2.100 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.82846E-03 ppm1 3.495 ppm2 0.934 CV 1 OR { 554} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 96 and name HG2%) ASSI { 558} (( segid " " and resid 149 and name HG3 )) (( segid " " and resid 146 and name HD3 )) 3.900 1.900 1.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 2.329 ppm2 0.964 CV 1 OR { 558} (( segid " " and resid 97 and name HG2 )) ( segid " " and resid 25 and name HG2%) OR { 558} (( segid " " and resid 149 and name HG3 )) (( segid " " and resid 146 and name HD2 )) OR { 558} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 121 and name HG12)) OR { 558} (( segid " " and resid 87 and name HG3 )) ( segid " " and resid 18 and name HD1%) OR { 558} (( segid " " and resid 87 and name HG2 )) ( segid " " and resid 18 and name HD1%) OR { 558} (( segid " " and resid 149 and name HG3 )) ( segid " " and resid 152 and name HG2%) ASSI { 560} (( segid " " and resid 104 and name HB )) (( segid " " and resid 104 and name HA )) 2.400 0.700 0.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.36541E-02 ppm1 4.216 ppm2 4.046 CV 1 OR { 560} (( segid " " and resid 178 and name HB )) (( segid " " and resid 175 and name HA )) OR { 560} (( segid " " and resid 178 and name HB )) (( segid " " and resid 179 and name HA )) ASSI { 563} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 93 and name HB2 )) 3.600 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.13000E-02 ppm1 1.594 ppm2 3.472 CV 1 OR { 563} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 102 and name HA )) ASSI { 564} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 93 and name HB3 )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.23203E-02 ppm1 1.594 ppm2 2.779 CV 1 OR { 564} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 107 and name HB2 )) ASSI { 566} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 106 and name HB3 )) 3.500 1.500 1.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 1.596 ppm2 1.891 CV 1 OR { 566} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 106 and name HB3 )) ASSI { 568} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 107 and name HA )) 2.400 2.400 3.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.10979E-02 ppm1 7.344 ppm2 4.195 CV 1 OR { 568} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 103 and name HA )) OR { 568} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 104 and name HB )) OR { 568} ( segid " " and resid 107 and name HE% ) (( segid " " and resid 100 and name HB3 )) ASSI { 569} (( segid " " and resid 108 and name HA )) ( segid " " and resid 123 and name HD2%) 2.900 1.000 1.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.14077E-02 ppm1 3.353 ppm2 0.552 CV 1 OR { 569} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HG3 )) ASSI { 571} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name H )) 3.400 1.400 1.400 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 3.522 ppm2 7.688 CV 1 OR { 571} (( segid " " and resid 112 and name HA )) (( segid " " and resid 114 and name H )) ASSI { 572} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 179 and name HB3 )) 3.600 1.600 1.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.11450E-02 ppm1 2.611 ppm2 1.898 CV 1 OR { 572} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 179 and name HB3 )) OR { 572} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 118 and name HB2 )) OR { 572} (( segid " " and resid 119 and name HB3 )) (( segid " " and resid 118 and name HB2 )) ASSI { 575} (( segid " " and resid 122 and name HA )) (( segid " " and resid 123 and name HB2 )) 3.700 1.700 1.700 peak 575 spectrum 1 weight 0.10000E+01 volume 0.21453E-02 ppm1 4.396 ppm2 1.652 CV 1 OR { 575} (( segid " " and resid 122 and name HA )) (( segid " " and resid 123 and name HG )) OR { 575} (( segid " " and resid 122 and name HA )) (( segid " " and resid 121 and name HB )) OR { 575} (( segid " " and resid 122 and name HA )) (( segid " " and resid 179 and name HD3 )) ASSI { 576} (( segid " " and resid 122 and name HA )) ( segid " " and resid 123 and name HD1%) 3.400 1.500 1.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.14885E-02 ppm1 4.385 ppm2 0.663 CV 1 OR { 576} (( segid " " and resid 122 and name HA )) ( segid " " and resid 121 and name HG2%) OR { 576} (( segid " " and resid 122 and name HA )) ( segid " " and resid 123 and name HD2%) ASSI { 581} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 114 and name HG1%) 4.300 2.400 1.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.86214E-03 ppm1 2.625 ppm2 1.184 CV 1 OR { 581} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 77 and name HB% ) ASSI { 583} (( segid " " and resid 106 and name HB3 )) ( segid " " and resid 103 and name HB% ) 3.100 1.200 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.27380E-02 ppm1 1.974 ppm2 1.552 CV 1 OR { 583} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 135 and name HG2 )) OR { 583} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 135 and name HG2 )) OR { 583} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 135 and name HG3 )) OR { 583} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 146 and name HB3 )) OR { 583} (( segid " " and resid 106 and name HB3 )) ( segid " " and resid 105 and name HB% ) OR { 583} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 135 and name HG3 )) OR { 583} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 146 and name HB3 )) OR { 583} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 112 and name HB3 )) OR { 583} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 112 and name HB3 )) ASSI { 584} (( segid " " and resid 136 and name HA )) (( segid " " and resid 96 and name HA )) 3.000 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.12393E-02 ppm1 3.459 ppm2 4.477 CV 1 OR { 584} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HA )) OR { 584} (( segid " " and resid 136 and name HA )) (( segid " " and resid 96 and name HB )) ASSI { 585} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HG3 )) 3.900 1.900 1.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.22160E-02 ppm1 4.386 ppm2 1.804 CV 1 OR { 585} (( segid " " and resid 138 and name HA )) (( segid " " and resid 142 and name HG2 )) ASSI { 587} (( segid " " and resid 139 and name HA )) (( segid " " and resid 136 and name HG3 )) 3.700 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.14885E-02 ppm1 4.372 ppm2 1.149 CV 1 OR { 587} (( segid " " and resid 139 and name HA )) ( segid " " and resid 140 and name HG1%) ASSI { 588} (( segid " " and resid 141 and name HA )) (( segid " " and resid 144 and name HD2 )) 3.400 1.500 1.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 3.841 ppm2 3.140 CV 1 OR { 588} (( segid " " and resid 141 and name HA )) (( segid " " and resid 144 and name HD3 )) OR { 588} (( segid " " and resid 167 and name HA )) (( segid " " and resid 164 and name HB3 )) ASSI { 589} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 141 and name HA )) 4.400 2.400 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.17041E-02 ppm1 1.606 ppm2 3.837 CV 1 OR { 589} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 145 and name HB2 )) OR { 589} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 145 and name HB3 )) ASSI { 590} (( segid " " and resid 144 and name HG3 )) (( segid " " and resid 141 and name HA )) 3.500 1.500 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.19499E-02 ppm1 1.760 ppm2 3.818 CV 1 OR { 590} (( segid " " and resid 144 and name HG3 )) (( segid " " and resid 145 and name HB2 )) OR { 590} (( segid " " and resid 144 and name HG3 )) (( segid " " and resid 145 and name HB3 )) ASSI { 591} (( segid " " and resid 152 and name HB )) (( segid " " and resid 123 and name HB2 )) 4.000 2.000 2.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.81162E-03 ppm1 2.689 ppm2 1.609 CV 1 OR { 591} (( segid " " and resid 152 and name HB )) (( segid " " and resid 124 and name HG )) ASSI { 592} (( segid " " and resid 159 and name HA )) ( segid " " and resid 165 and name HG1%) 4.100 2.100 1.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 3.849 ppm2 1.010 CV 1 OR { 592} (( segid " " and resid 159 and name HA )) (( segid " " and resid 160 and name HB3 )) OR { 592} (( segid " " and resid 159 and name HA )) ( segid " " and resid 161 and name HG2%) ASSI { 598} ( segid " " and resid 165 and name HG1%) ( segid " " and resid 159 and name HB% ) 3.100 1.200 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.14077E-02 ppm1 1.019 ppm2 1.515 CV 1 OR { 598} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 167 and name HB3 )) OR { 598} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 167 and name HD3 )) ASSI { 599} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 34 and name HB3 )) 3.500 1.600 1.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.28895E-02 ppm1 1.028 ppm2 2.213 CV 1 OR { 599} ( segid " " and resid 165 and name HG1%) (( segid " " and resid 169 and name HB2 )) ASSI { 600} (( segid " " and resid 169 and name HA )) ( segid " " and resid 168 and name HG2%) 3.000 1.100 1.100 peak 600 spectrum 1 weight 0.10000E+01 volume 0.33239E-02 ppm1 3.663 ppm2 0.672 CV 1 OR { 600} (( segid " " and resid 169 and name HA )) ( segid " " and resid 17 and name HG1%) OR { 600} (( segid " " and resid 169 and name HA )) ( segid " " and resid 17 and name HG2%) OR { 600} (( segid " " and resid 169 and name HA )) ( segid " " and resid 64 and name HD1%) ASSI { 606} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 122 and name HG2 )) 3.600 1.700 1.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.15997E-02 ppm1 0.569 ppm2 1.918 CV 1 OR { 606} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 17 and name HB )) OR { 606} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 122 and name HG3 )) ASSI { 612} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 64 and name HB )) 2.600 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.39235E-02 ppm1 1.536 ppm2 1.929 CV 1 OR { 612} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 169 and name HB3 )) ASSI { 614} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 55 and name HA )) 2.400 2.400 3.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 1.539 ppm2 4.566 CV 1 OR { 614} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 62 and name HA )) OR { 614} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 57 and name HA )) OR { 614} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 17 and name HA )) ASSI { 615} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 170 and name H )) 2.200 2.200 3.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.17411E-02 ppm1 1.538 ppm2 8.903 CV 1 OR { 615} ( segid " " and resid 173 and name HE% ) (( segid " " and resid 55 and name H )) ASSI { 616} (( segid " " and resid 173 and name HG3 )) ( segid " " and resid 176 and name HD1%) 4.200 2.200 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.92276E-03 ppm1 2.772 ppm2 0.534 CV 1 OR { 616} (( segid " " and resid 173 and name HG3 )) ( segid " " and resid 172 and name HD2%) ASSI { 617} (( segid " " and resid 173 and name HG3 )) ( segid " " and resid 64 and name HD1%) 3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 2.801 ppm2 0.753 CV 1 OR { 617} (( segid " " and resid 173 and name HG3 )) ( segid " " and resid 17 and name HG1%) ASSI { 619} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HD3 )) 3.300 1.400 1.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 3.655 ppm2 1.599 CV 1 OR { 619} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HD2 )) OR { 619} (( segid " " and resid 177 and name HA )) (( segid " " and resid 12 and name HG )) ASSI { 620} (( segid " " and resid 177 and name HA )) ( segid " " and resid 12 and name HD1%) 3.100 1.200 1.200 peak 620 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 3.655 ppm2 0.809 CV 1 OR { 620} (( segid " " and resid 177 and name HA )) ( segid " " and resid 176 and name HG2%) OR { 620} (( segid " " and resid 177 and name HA )) ( segid " " and resid 12 and name HD2%) ASSI { 624} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 12 and name HG )) 2.500 2.500 3.500 peak 624 spectrum 1 weight 0.10000E+01 volume 0.90256E-03 ppm1 2.578 ppm2 1.630 CV 1 OR { 624} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 12 and name HB2 )) OR { 624} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 180 and name HD3 )) OR { 624} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 180 and name HD2 )) ASSI { 625} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 180 and name HA )) 4.600 2.700 1.400 peak 625 spectrum 1 weight 0.10000E+01 volume 0.78805E-03 ppm1 2.579 ppm2 3.975 CV 1 OR { 625} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 182 and name HB2 )) OR { 625} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 182 and name HB3 )) ASSI { 626} (( segid " " and resid 15 and name HE1 )) ( segid " " and resid 176 and name HG2%) 4.000 2.000 2.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 7.283 ppm2 0.820 CV 1 OR { 626} (( segid " " and resid 15 and name HE1 )) ( segid " " and resid 62 and name HG2%) OR { 626} (( segid " " and resid 15 and name HE1 )) ( segid " " and resid 12 and name HD2%) ASSI { 627} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 174 and name HG2 )) 4.000 2.000 2.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 7.274 ppm2 1.266 CV 1 OR { 627} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 180 and name HG2 )) OR { 627} (( segid " " and resid 15 and name HE1 )) ( segid " " and resid 13 and name HB% ) OR { 627} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 172 and name HG )) ASSI { 628} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 176 and name HG13)) 4.500 2.500 1.500 peak 628 spectrum 1 weight 0.10000E+01 volume 0.81835E-03 ppm1 7.256 ppm2 1.647 CV 1 OR { 628} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 180 and name HD2 )) OR { 628} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 180 and name HD3 )) OR { 628} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 64 and name HG13)) OR { 628} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 12 and name HG )) ASSI { 629} (( segid " " and resid 150 and name HH2 )) (( segid " " and resid 105 and name HA )) 3.500 1.500 1.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 6.816 ppm2 4.093 CV 1 OR { 629} (( segid " " and resid 150 and name HH2 )) (( segid " " and resid 104 and name HA )) ASSI { 630} (( segid " " and resid 150 and name HE3 )) (( segid " " and resid 152 and name H )) 4.600 2.700 1.400 peak 630 spectrum 1 weight 0.10000E+01 volume 0.81500E-03 ppm1 6.912 ppm2 8.222 CV 1 OR { 630} (( segid " " and resid 150 and name HE3 )) (( segid " " and resid 151 and name H )) ASSI { 632} (( segid " " and resid 150 and name HE3 )) ( segid " " and resid 147 and name HB% ) 4.500 2.500 1.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.89919E-03 ppm1 6.924 ppm2 1.394 CV 1 OR { 632} (( segid " " and resid 150 and name HE3 )) ( segid " " and resid 125 and name HG1%) ASSI { 634} (( segid " " and resid 150 and name HE3 )) ( segid " " and resid 91 and name HD1%) 3.800 1.800 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.98675E-03 ppm1 6.925 ppm2 0.728 CV 1 OR { 634} (( segid " " and resid 150 and name HE3 )) ( segid " " and resid 124 and name HD1%) ASSI { 635} (( segid " " and resid 150 and name HZ3 )) (( segid " " and resid 105 and name HA )) 4.100 2.100 1.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.84194E-03 ppm1 6.615 ppm2 4.092 CV 1 OR { 635} (( segid " " and resid 150 and name HZ3 )) (( segid " " and resid 104 and name HA )) ASSI { 642} ( segid " " and resid 43 and name HD% ) (( segid " " and resid 32 and name H )) 2.500 2.500 3.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.11585E-02 ppm1 7.081 ppm2 9.085 CV 1 OR { 642} ( segid " " and resid 43 and name HD% ) (( segid " " and resid 66 and name H )) ASSI { 645} ( segid " " and resid 43 and name HD% ) ( segid " " and resid 32 and name HD1%) 3.600 1.600 1.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.99011E-03 ppm1 7.090 ppm2 0.728 CV 1 OR { 645} ( segid " " and resid 43 and name HD% ) ( segid " " and resid 46 and name HG2%) OR { 645} ( segid " " and resid 43 and name HD% ) ( segid " " and resid 32 and name HD2%) ASSI { 646} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 80 and name HA )) 3.500 1.500 1.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.74427E-03 ppm1 7.096 ppm2 3.948 CV 1 OR { 646} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 114 and name HA )) ASSI { 648} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 80 and name HA )) 3.900 1.900 1.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.74427E-03 ppm1 7.314 ppm2 3.953 CV 1 OR { 648} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 110 and name HA )) ASSI { 653} ( segid " " and resid 82 and name HE% ) (( segid " " and resid 67 and name HB3 )) 4.300 2.300 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.89246E-03 ppm1 6.347 ppm2 1.444 CV 1 OR { 653} ( segid " " and resid 82 and name HE% ) (( segid " " and resid 429 and name HG )) OR { 653} ( segid " " and resid 82 and name HE% ) (( segid " " and resid 67 and name HB2 )) ASSI { 657} ( segid " " and resid 102 and name HG2%) ( segid " " and resid 105 and name HB% ) 3.600 1.600 1.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.23338E-02 ppm1 1.136 ppm2 1.628 CV 1 OR { 657} ( segid " " and resid 102 and name HG2%) ( segid " " and resid 103 and name HB% ) ASSI { 660} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 173 and name HE% ) 3.500 1.500 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 0.851 ppm2 1.553 CV 1 OR { 660} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 63 and name HB2 )) ASSI { 661} ( segid " " and resid 62 and name HG1%) (( segid " " and resid 63 and name HB2 )) 3.100 1.200 1.200 peak 661 spectrum 1 weight 0.10000E+01 volume 0.54558E-02 ppm1 0.653 ppm2 1.540 CV 1 OR { 661} ( segid " " and resid 62 and name HG1%) ( segid " " and resid 173 and name HE% ) ASSI { 662} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 176 and name HD1%) 4.700 2.800 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.69711E-03 ppm1 2.715 ppm2 0.562 CV 1 OR { 662} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 55 and name HG2%) OR { 662} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 14 and name HD2%) OR { 662} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 14 and name HD1%) ASSI { 664} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 169 and name HB2 )) 4.500 2.500 1.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 0.749 ppm2 2.164 CV 1 OR { 664} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 55 and name HB )) OR { 664} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 65 and name HB3 )) ASSI { 665} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 84 and name H )) 4.400 2.400 1.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.71060E-03 ppm1 -0.299 ppm2 8.245 CV 1 OR { 665} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 434 and name H )) OR { 665} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 50 and name H )) ASSI { 666} (( segid " " and resid 18 and name HA )) (( segid " " and resid 430 and name HH2 )) 4.800 2.900 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.71733E-03 ppm1 4.970 ppm2 6.731 CV 1 OR { 666} (( segid " " and resid 18 and name HA )) ( segid " " and resid 89 and name HE% ) OR { 666} (( segid " " and resid 18 and name HA )) (( segid " " and resid 430 and name HZ3 )) ASSI { 668} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 430 and name HB3 )) 4.300 2.400 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.80489E-03 ppm1 -0.278 ppm2 3.122 CV 1 OR { 668} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 434 and name HD2 )) OR { 668} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 434 and name HD3 )) OR { 668} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 75 and name HB3 )) ASSI { 669} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 82 and name HB2 )) 4.100 2.100 1.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.96991E-03 ppm1 -0.281 ppm2 2.814 CV 1 OR { 669} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 65 and name HB2 )) ASSI { 670} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 433 and name HG2 )) 3.700 1.700 1.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.79816E-03 ppm1 -0.277 ppm2 2.276 CV 1 OR { 670} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 433 and name HG3 )) OR { 670} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 68 and name HB2 )) ASSI { 671} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 429 and name HB3 )) 4.000 2.000 2.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.65333E-03 ppm1 -0.276 ppm2 1.527 CV 1 OR { 671} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 434 and name HG2 )) OR { 671} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 409 and name HG )) OR { 671} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 434 and name HG3 )) ASSI { 675} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 66 and name HD1%) 3.200 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.21722E-02 ppm1 6.751 ppm2 0.550 CV 1 OR { 675} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 172 and name HD2%) OR { 675} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 31 and name HG2%) ASSI { 677} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 89 and name HB3 )) 2.400 2.400 3.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.17984E-02 ppm1 0.589 ppm2 2.431 CV 1 OR { 677} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 153 and name HG2 )) ASSI { 679} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 168 and name HB )) 3.700 1.700 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13707E-02 ppm1 -0.263 ppm2 1.659 CV 1 OR { 679} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 172 and name HB2 )) OR { 679} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 124 and name HG )) ASSI { 681} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 14 and name HB3 )) 2.300 2.300 3.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13740E-02 ppm1 2.274 ppm2 1.344 CV 1 OR { 681} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 54 and name HG2 )) ASSI { 685} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 94 and name HB2 )) 3.900 1.900 1.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 0.931 ppm2 3.500 CV 1 OR { 685} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 93 and name HB2 )) ASSI { 686} (( segid " " and resid 115 and name HE3 )) (( segid " " and resid 115 and name HG3 )) 3.300 1.400 1.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.97664E-03 ppm1 3.220 ppm2 1.260 CV 1 OR { 686} (( segid " " and resid 115 and name HE3 )) (( segid " " and resid 121 and name HG13)) ASSI { 698} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 173 and name HB3 )) 3.500 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.15492E-02 ppm1 6.570 ppm2 1.550 CV 1 OR { 698} (( segid " " and resid 15 and name HD2 )) ( segid " " and resid 173 and name HE% ) OR { 698} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 63 and name HB2 )) OR { 698} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 64 and name HG13)) ASSI { 701} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 62 and name HB )) 4.000 2.000 2.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 6.568 ppm2 1.837 CV 1 OR { 701} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 63 and name HB3 )) OR { 701} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 173 and name HG2 )) ASSI { 703} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 128 and name HB3 )) 3.500 1.500 1.500 peak 703 spectrum 1 weight 0.10000E+01 volume 0.10238E-02 ppm1 2.544 ppm2 2.059 CV 1 OR { 703} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 95 and name HB )) ASSI { 705} (( segid " " and resid 54 and name HE3 )) (( segid " " and resid 61 and name HG3 )) 4.400 2.500 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 2.773 ppm2 2.112 CV 1 OR { 705} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 74 and name HB2 )) OR { 705} (( segid " " and resid 54 and name HE2 )) (( segid " " and resid 61 and name HG3 )) ASSI { 710} ( segid " " and resid 152 and name HG1%) ( segid " " and resid 125 and name HG2%) 3.400 1.500 1.500 peak 710 spectrum 1 weight 0.10000E+01 volume 0.26570E-02 ppm1 0.980 ppm2 1.261 CV 1 OR { 710} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 124 and name HB2 )) ASSI { 713} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 82 and name HD% ) 4.200 2.200 1.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.10036E-02 ppm1 1.062 ppm2 6.737 CV 1 OR { 713} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 89 and name HE% ) ASSI { 717} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 29 and name HA )) 3.800 1.800 1.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 0.748 ppm2 4.139 CV 1 OR { 717} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 31 and name HA )) ASSI { 719} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 36 and name H )) 4.100 2.100 1.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.94635E-03 ppm1 0.751 ppm2 7.584 CV 1 OR { 719} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 31 and name H )) OR { 719} ( segid " " and resid 32 and name HD2%) (( segid " " and resid 42 and name H )) ASSI { 724} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 92 and name H )) 2.800 1.000 1.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.41761E-02 ppm1 0.528 ppm2 9.218 CV 1 OR { 724} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 93 and name H )) ASSI { 727} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 30 and name H )) 2.800 2.800 3.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 1.506 ppm2 8.686 CV 1 OR { 727} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 131 and name H )) ASSI { 729} ( segid " " and resid 147 and name HB% ) ( segid " " and resid 154 and name HD% ) 3.600 1.700 1.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.23271E-02 ppm1 1.354 ppm2 6.859 CV 1 OR { 729} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 150 and name HE3 )) ASSI { 732} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 99 and name HG3 )) 3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.84194E-03 ppm1 1.590 ppm2 2.372 CV 1 OR { 732} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 99 and name HG2 )) OR { 732} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 146 and name HE3 )) OR { 732} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 110 and name HB3 )) ASSI { 733} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 179 and name HB2 )) 3.400 1.500 1.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 0.870 ppm2 2.057 CV 1 OR { 733} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 177 and name HB2 )) OR { 733} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 177 and name HB3 )) OR { 733} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 175 and name HB2 )) ASSI { 734} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 115 and name HD2 )) 3.800 1.800 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.18657E-02 ppm1 0.709 ppm2 1.803 CV 1 OR { 734} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 115 and name HD3 )) OR { 734} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 122 and name HB2 )) ASSI { 736} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 123 and name HG )) 3.500 1.500 1.500 peak 736 spectrum 1 weight 0.10000E+01 volume 0.17479E-02 ppm1 -0.041 ppm2 1.595 CV 1 OR { 736} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 123 and name HB3 )) OR { 736} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 121 and name HB )) OR { 736} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 123 and name HB2 )) ASSI { 742} ( segid " " and resid 170 and name HE% ) ( segid " " and resid 55 and name HG1%) 2.900 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.61596E-02 ppm1 7.410 ppm2 0.761 CV 1 OR { 742} ( segid " " and resid 170 and name HE% ) ( segid " " and resid 57 and name HD1%) OR { 742} ( segid " " and resid 170 and name HE% ) ( segid " " and resid 57 and name HD2%) ASSI { 744} (( segid " " and resid 34 and name HZ )) ( segid " " and resid 173 and name HE% ) 3.400 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.14414E-02 ppm1 6.633 ppm2 1.542 CV 1 OR { 744} (( segid " " and resid 34 and name HZ )) (( segid " " and resid 64 and name HG13)) ASSI { 745} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 146 and name HB3 )) 4.200 2.200 1.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.11450E-02 ppm1 6.703 ppm2 1.479 CV 1 OR { 745} ( segid " " and resid 101 and name HE% ) ( segid " " and resid 125 and name HG1%) ASSI { 747} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 138 and name HB )) 3.900 1.900 1.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.88908E-03 ppm1 6.711 ppm2 2.106 CV 1 OR { 747} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 142 and name HG3 )) ASSI { 748} (( segid " " and resid 153 and name HA )) ( segid " " and resid 147 and name HB% ) 3.600 1.700 1.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 4.355 ppm2 1.373 CV 1 OR { 748} (( segid " " and resid 153 and name HA )) (( segid " " and resid 155 and name HB )) ASSI { 749} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HB3 )) 4.300 2.400 1.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.98338E-03 ppm1 4.353 ppm2 2.733 CV 1 OR { 749} (( segid " " and resid 153 and name HA )) (( segid " " and resid 152 and name HB )) ASSI { 750} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 73 and name HA )) 5.000 3.100 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.89581E-03 ppm1 0.913 ppm2 4.077 CV 1 OR { 750} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 47 and name HA )) ASSI { 752} (( segid " " and resid 110 and name HG3 )) ( segid " " and resid 114 and name HG1%) 3.900 1.900 1.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.62976E-03 ppm1 2.499 ppm2 1.181 CV 1 OR { 752} (( segid " " and resid 110 and name HG3 )) (( segid " " and resid 111 and name HG12)) ASSI { 757} (( segid " " and resid 115 and name HD2 )) (( segid " " and resid 86 and name H )) 4.100 2.100 1.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.83857E-03 ppm1 1.809 ppm2 7.868 CV 1 OR { 757} (( segid " " and resid 115 and name HD2 )) (( segid " " and resid 115 and name H )) ASSI { 758} (( segid " " and resid 115 and name HD3 )) (( segid " " and resid 86 and name H )) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.93624E-03 ppm1 1.765 ppm2 7.869 CV 1 OR { 758} (( segid " " and resid 115 and name HD3 )) (( segid " " and resid 115 and name H )) ASSI { 759} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 430 and name HH2 )) 3.500 1.500 1.500 peak 759 spectrum 1 weight 0.10000E+01 volume 0.98675E-03 ppm1 1.416 ppm2 6.709 CV 1 OR { 759} (( segid " " and resid 18 and name HG12)) ( segid " " and resid 89 and name HE% ) ASSI { 760} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 100 and name H )) 4.200 2.200 1.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.92949E-03 ppm1 0.933 ppm2 7.578 CV 1 OR { 760} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 128 and name HD22)) ASSI { 761} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 100 and name HB3 )) 3.400 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.18085E-02 ppm1 0.931 ppm2 4.264 CV 1 OR { 761} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 100 and name HB2 )) OR { 761} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 26 and name HA2 )) ASSI { 762} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 92 and name HB )) 3.800 1.800 1.800 peak 762 spectrum 1 weight 0.10000E+01 volume 0.19129E-02 ppm1 0.834 ppm2 1.591 CV 1 OR { 762} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 27 and name HB2 )) OR { 762} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 103 and name HB% ) OR { 762} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 104 and name HG2%) ASSI { 763} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 92 and name HB )) 3.600 1.600 1.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 0.931 ppm2 1.601 CV 1 OR { 763} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 27 and name HB2 )) OR { 763} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 103 and name HB% ) ASSI { 764} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 92 and name HG2%) 3.400 1.400 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.47585E-02 ppm1 0.833 ppm2 0.535 CV 1 OR { 764} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 95 and name HD1%) ASSI { 765} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 36 and name HD% ) 3.700 1.700 1.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.10844E-02 ppm1 0.712 ppm2 6.925 CV 1 OR { 765} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 43 and name HE% ) ASSI { 769} (( segid " " and resid 67 and name HG )) ( segid " " and resid 69 and name HG2%) 4.100 2.100 1.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.81835E-03 ppm1 0.375 ppm2 1.015 CV 1 OR { 769} (( segid " " and resid 67 and name HG )) ( segid " " and resid 18 and name HD1%) ASSI { 770} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 10 and name HB3 )) 4.000 2.000 2.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.11720E-02 ppm1 2.270 ppm2 3.837 CV 1 OR { 770} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 10 and name HB3 )) OR { 770} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 8 and name HA3 )) OR { 770} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 8 and name HA3 )) OR { 770} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 8 and name HA2 )) ASSI { 773} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 413 and name HB2 )) 4.200 2.200 1.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.85878E-03 ppm1 0.411 ppm2 3.002 CV 1 OR { 773} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 81 and name HB2 )) ASSI { 774} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 76 and name HB% ) 2.500 2.500 3.500 peak 774 spectrum 1 weight 0.10000E+01 volume 0.13000E-02 ppm1 0.415 ppm2 1.297 CV 1 OR { 774} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 421 and name HG2 )) ASSI { 778} (( segid " " and resid 108 and name HD2 )) ( segid " " and resid 91 and name HD2%) 3.700 1.800 1.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 1.121 ppm2 0.764 CV 1 OR { 778} (( segid " " and resid 108 and name HD2 )) ( segid " " and resid 91 and name HD1%) OR { 778} (( segid " " and resid 108 and name HD2 )) ( segid " " and resid 121 and name HG2%) ASSI { 779} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name H )) 3.700 1.700 1.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.95308E-03 ppm1 1.428 ppm2 7.355 CV 1 OR { 779} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 83 and name HE% ) ASSI { 784} (( segid " " and resid 167 and name HD2 )) ( segid " " and resid 155 and name HG1%) 3.800 1.800 1.800 peak 784 spectrum 1 weight 0.10000E+01 volume 0.23506E-02 ppm1 1.246 ppm2 0.638 CV 1 OR { 784} (( segid " " and resid 167 and name HD2 )) ( segid " " and resid 155 and name HG2%) OR { 784} (( segid " " and resid 167 and name HD2 )) ( segid " " and resid 168 and name HG1%) ASSI { 785} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 14 and name HA )) 4.200 2.200 1.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.97327E-03 ppm1 1.817 ppm2 4.965 CV 1 OR { 785} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 54 and name HA )) ASSI { 787} (( segid " " and resid 179 and name HE2 )) (( segid " " and resid 122 and name HB3 )) 2.600 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 3.081 ppm2 2.174 CV 1 OR { 787} (( segid " " and resid 179 and name HE3 )) (( segid " " and resid 122 and name HB3 )) OR { 787} (( segid " " and resid 179 and name HE2 )) (( segid " " and resid 175 and name HB3 )) ASSI { 792} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 413 and name HA )) 4.100 2.100 1.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.79479E-03 ppm1 7.034 ppm2 4.070 CV 1 OR { 792} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 47 and name HA )) ASSI { 793} ( segid " " and resid 83 and name HD% ) ( segid " " and resid 20 and name HG1%) 4.200 2.200 1.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.98002E-03 ppm1 7.085 ppm2 0.843 CV 1 OR { 793} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 79 and name HG3 )) ASSI { 794} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 79 and name HG3 )) 3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 7.303 ppm2 0.730 CV 1 OR { 794} ( segid " " and resid 83 and name HE% ) ( segid " " and resid 20 and name HG2%) OR { 794} ( segid " " and resid 83 and name HE% ) ( segid " " and resid 121 and name HG2%) ASSI { 795} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 103 and name HB% ) 3.200 1.300 1.300 peak 795 spectrum 1 weight 0.10000E+01 volume 0.19567E-02 ppm1 7.344 ppm2 1.583 CV 1 OR { 795} ( segid " " and resid 107 and name HE% ) ( segid " " and resid 104 and name HG2%) ASSI { 796} ( segid " " and resid 169 and name HE% ) ( segid " " and resid 66 and name HD1%) 3.300 1.300 1.300 peak 796 spectrum 1 weight 0.10000E+01 volume 0.11349E-02 ppm1 6.721 ppm2 0.536 CV 1 OR { 796} ( segid " " and resid 169 and name HE% ) ( segid " " and resid 31 and name HG2%) ASSI { 798} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 104 and name HB )) 3.400 1.500 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.13673E-02 ppm1 1.598 ppm2 4.285 CV 1 OR { 798} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 104 and name HB )) ASSI { 801} ( segid " " and resid 91 and name HD2%) (( segid " " and resid 104 and name HB )) 3.300 1.300 1.300 peak 801 spectrum 1 weight 0.10000E+01 volume 0.35429E-02 ppm1 0.766 ppm2 4.231 CV 1 OR { 801} ( segid " " and resid 91 and name HD2%) (( segid " " and resid 107 and name HA )) ASSI { 804} (( segid " " and resid 139 and name HB3 )) ( segid " " and resid 140 and name HG2%) 4.600 2.600 1.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.15290E-02 ppm1 2.369 ppm2 0.914 CV 1 OR { 804} (( segid " " and resid 125 and name HB )) ( segid " " and resid 152 and name HG1%) ASSI { 806} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 137 and name HG2 )) 4.600 2.600 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 3.283 ppm2 2.428 CV 1 OR { 806} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 101 and name HB3 )) OR { 806} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 99 and name HG3 )) ASSI { 808} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) 3.100 1.200 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.16131E-02 ppm1 1.464 ppm2 4.533 CV 1 OR { 808} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HA )) OR { 808} (( segid " " and resid 167 and name HB3 )) (( segid " " and resid 164 and name HA )) ASSI { 809} (( segid " " and resid 144 and name HG3 )) ( segid " " and resid 154 and name HE% ) 3.800 1.800 1.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.89246E-03 ppm1 1.769 ppm2 6.690 CV 1 OR { 809} (( segid " " and resid 144 and name HG3 )) (( segid " " and resid 143 and name H )) ASSI { 813} (( segid " " and resid 179 and name HE2 )) (( segid " " and resid 122 and name HG3 )) 2.900 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.33509E-02 ppm1 3.084 ppm2 1.890 CV 1 OR { 813} (( segid " " and resid 179 and name HE3 )) (( segid " " and resid 122 and name HG3 )) OR { 813} (( segid " " and resid 179 and name HE3 )) (( segid " " and resid 179 and name HB3 )) OR { 813} (( segid " " and resid 179 and name HE2 )) (( segid " " and resid 179 and name HB3 )) ASSI { 839} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name H )) 3.100 1.200 1.200 peak 839 spectrum 1 weight 0.10000E+01 volume 0.17378E-02 ppm1 1.667 ppm2 7.328 CV 1 OR { 839} (( segid " " and resid 168 and name HB )) (( segid " " and resid 168 and name H )) ASSI { 842} (( segid " " and resid 168 and name HB )) (( segid " " and resid 168 and name HA )) 2.500 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.35867E-02 ppm1 1.680 ppm2 3.672 CV 1 OR { 842} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HA )) ASSI { 861} (( segid " " and resid 56 and name HB )) ( segid " " and resid 56 and name HG1%) 1.900 0.500 0.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.15178E-01 ppm1 1.833 ppm2 0.766 CV 1 OR { 861} (( segid " " and resid 165 and name HB )) ( segid " " and resid 165 and name HG2%) ASSI { 862} (( segid " " and resid 165 and name HB )) ( segid " " and resid 165 and name HG1%) 2.700 0.900 0.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.27885E-02 ppm1 1.838 ppm2 1.016 CV 1 OR { 862} (( segid " " and resid 25 and name HB )) ( segid " " and resid 25 and name HG2%) ASSI { 863} (( segid " " and resid 165 and name HB )) (( segid " " and resid 165 and name HA )) 3.300 1.300 1.300 peak 863 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 1.827 ppm2 3.363 CV 1 OR { 863} (( segid " " and resid 165 and name HB )) (( segid " " and resid 162 and name HA )) ASSI { 880} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 162 and name HA )) 2.200 0.600 0.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.65705E-02 ppm1 0.741 ppm2 3.379 CV 1 OR { 880} ( segid " " and resid 165 and name HG2%) (( segid " " and resid 165 and name HA )) ASSI { 888} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name H )) 2.200 0.600 0.600 peak 888 spectrum 1 weight 0.10000E+01 volume 0.63414E-02 ppm1 3.689 ppm2 8.201 CV 1 OR { 888} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name H )) ASSI { 890} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB )) 2.900 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.27784E-02 ppm1 3.690 ppm2 1.379 CV 1 OR { 890} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG2 )) ASSI { 896} ( segid " " and resid 155 and name HG1%) (( segid " " and resid 156 and name H )) 2.500 0.800 0.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.74192E-02 ppm1 0.599 ppm2 8.208 CV 1 OR { 896} ( segid " " and resid 155 and name HG1%) (( segid " " and resid 155 and name H )) ASSI { 903} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG2%) 2.300 0.700 0.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.93117E-02 ppm1 4.979 ppm2 0.983 CV 1 OR { 903} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HG1%) OR { 903} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HG2%) ASSI { 918} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 151 and name HA2 )) 2.300 2.300 3.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.14852E-02 ppm1 1.034 ppm2 4.025 CV 1 OR { 918} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 148 and name HA )) OR { 918} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 151 and name HA3 )) ASSI { 930} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name H )) 2.400 0.700 0.700 peak 930 spectrum 1 weight 0.10000E+01 volume 0.36271E-02 ppm1 3.478 ppm2 8.790 CV 1 OR { 930} (( segid " " and resid 140 and name HA )) (( segid " " and resid 141 and name H )) ASSI { 936} (( segid " " and resid 140 and name HA )) ( segid " " and resid 140 and name HG1%) 2.200 0.600 0.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.12248E-01 ppm1 3.476 ppm2 1.145 CV 1 OR { 936} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HG2%) ASSI { 943} (( segid " " and resid 140 and name HB )) (( segid " " and resid 140 and name H )) 2.100 0.600 0.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.10366E-01 ppm1 1.913 ppm2 8.790 CV 1 OR { 943} (( segid " " and resid 140 and name HB )) (( segid " " and resid 141 and name H )) ASSI { 952} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 140 and name H )) 2.600 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.15690E-01 ppm1 1.164 ppm2 8.786 CV 1 OR { 952} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 141 and name H )) ASSI { 968} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name H )) 2.300 0.600 0.600 peak 968 spectrum 1 weight 0.10000E+01 volume 0.74932E-02 ppm1 4.364 ppm2 7.722 CV 1 OR { 968} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name H )) ASSI { 1000} (( segid " " and resid 125 and name HA )) ( segid " " and resid 124 and name HD1%) 3.900 1.900 1.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.16435E-02 ppm1 4.916 ppm2 0.663 CV 1 OR { 1000} (( segid " " and resid 125 and name HA )) ( segid " " and resid 126 and name HG1%) ASSI { 1020} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 91 and name HD1%) 2.400 2.400 3.600 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.10016E-01 ppm1 1.222 ppm2 0.699 CV 1 OR { 1020} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 124 and name HD1%) ASSI { 1049} (( segid " " and resid 20 and name HB )) ( segid " " and resid 20 and name HG1%) 2.300 0.700 0.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.72709E-02 ppm1 1.823 ppm2 0.846 CV 1 OR { 1049} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HG2%) ASSI { 1050} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 54 and name HG3 )) 3.300 1.300 1.300 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.21250E-02 ppm1 1.827 ppm2 1.203 CV 1 OR { 1050} (( segid " " and resid 62 and name HB )) ( segid " " and resid 13 and name HB% ) OR { 1050} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 13 and name HB% ) ASSI { 1053} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 14 and name HA )) 4.200 2.200 1.800 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 1.832 ppm2 4.960 CV 1 OR { 1053} (( segid " " and resid 62 and name HB )) (( segid " " and resid 14 and name HA )) ASSI { 1060} (( segid " " and resid 62 and name HB )) (( segid " " and resid 63 and name H )) 3.000 1.100 1.100 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.41658E-02 ppm1 1.826 ppm2 8.172 CV 1 OR { 1060} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name H )) ASSI { 1061} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name H )) 2.800 1.000 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.25259E-02 ppm1 1.820 ppm2 9.043 CV 1 OR { 1061} (( segid " " and resid 20 and name HB )) (( segid " " and resid 20 and name H )) ASSI { 1086} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 34 and name HZ )) 2.500 0.800 0.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.61327E-02 ppm1 0.738 ppm2 6.632 CV 1 OR { 1086} ( segid " " and resid 32 and name HD2%) ( segid " " and resid 36 and name HE% ) ASSI { 1125} ( segid " " and resid 157 and name HG2%) (( segid " " and resid 157 and name H )) 3.100 1.200 1.200 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.21788E-02 ppm1 0.658 ppm2 8.833 CV 1 OR { 1125} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 157 and name H )) ASSI { 1142} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name H )) 2.700 0.900 0.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.20442E-02 ppm1 5.011 ppm2 9.215 CV 1 OR { 1142} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name H )) ASSI { 1146} (( segid " " and resid 92 and name HB )) (( segid " " and resid 92 and name HA )) 2.600 0.900 0.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.39235E-02 ppm1 1.590 ppm2 4.968 CV 1 OR { 1146} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HA )) ASSI { 1153} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 92 and name H )) 3.000 1.200 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.39671E-02 ppm1 0.669 ppm2 9.200 CV 1 OR { 1153} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 93 and name H )) ASSI { 1157} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 16 and name HE2 )) 3.400 1.400 1.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.23271E-02 ppm1 0.530 ppm2 2.274 CV 1 OR { 1157} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 63 and name HG3 )) ASSI { 1159} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB2 )) 2.300 0.700 0.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.52637E-02 ppm1 3.904 ppm2 1.725 CV 1 OR { 1159} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB )) ASSI { 1184} ( segid " " and resid 20 and name HG1%) ( segid " " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.22665E-02 ppm1 0.830 ppm2 7.128 CV 1 OR { 1184} ( segid " " and resid 20 and name HG1%) ( segid " " and resid 83 and name HD% ) ASSI { 1195} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 89 and name HA )) 3.700 1.700 1.700 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 0.720 ppm2 5.143 CV 1 OR { 1195} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 66 and name HA )) ASSI { 1196} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 66 and name HA )) 3.500 1.500 1.500 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.14448E-02 ppm1 0.648 ppm2 5.166 CV 1 OR { 1196} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 89 and name HA )) ASSI { 1198} (( segid " " and resid 151 and name HA2 )) (( segid " " and resid 151 and name H )) 2.400 0.700 0.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.55904E-02 ppm1 4.039 ppm2 8.243 CV 1 OR { 1198} (( segid " " and resid 151 and name HA2 )) (( segid " " and resid 152 and name H )) ASSI { 1199} (( segid " " and resid 151 and name HA3 )) (( segid " " and resid 151 and name H )) 2.900 1.000 1.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.55197E-02 ppm1 3.978 ppm2 8.241 CV 1 OR { 1199} (( segid " " and resid 151 and name HA3 )) (( segid " " and resid 152 and name H )) ASSI { 1242} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 160 and name H )) 3.100 1.200 1.200 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 1.509 ppm2 6.898 CV 1 OR { 1242} ( segid " " and resid 159 and name HB% ) ( segid " " and resid 39 and name HD% ) ASSI { 1244} (( segid " " and resid 147 and name HA )) ( segid " " and resid 147 and name HB% ) 2.200 0.600 0.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.12861E-01 ppm1 3.733 ppm2 1.345 CV 1 OR { 1244} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HB% ) ASSI { 1248} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 148 and name H )) 2.500 0.800 0.800 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.84664E-02 ppm1 1.357 ppm2 8.163 CV 1 OR { 1248} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 154 and name H )) ASSI { 1258} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name H )) 2.600 0.900 0.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.41085E-02 ppm1 3.715 ppm2 7.748 CV 1 OR { 1258} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name H )) ASSI { 1263} (( segid " " and resid 143 and name HA )) ( segid " " and resid 101 and name HE% ) 2.500 0.800 0.800 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.51863E-02 ppm1 3.505 ppm2 6.693 CV 1 OR { 1263} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name H )) ASSI { 1269} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 143 and name H )) 2.100 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.13498E-01 ppm1 0.381 ppm2 6.691 CV 1 OR { 1269} ( segid " " and resid 143 and name HB% ) ( segid " " and resid 101 and name HE% ) ASSI { 1270} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 140 and name HA )) 2.000 0.500 0.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.10208E-01 ppm1 0.380 ppm2 3.501 CV 1 OR { 1270} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 143 and name HA )) ASSI { 1282} ( segid " " and resid 103 and name HB% ) (( segid " " and resid 103 and name HA )) 2.000 0.500 0.500 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.20611E-01 ppm1 1.591 ppm2 4.113 CV 1 OR { 1282} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 105 and name HA )) ASSI { 1292} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 105 and name H )) 2.100 0.500 0.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.20089E-01 ppm1 1.586 ppm2 7.038 CV 1 OR { 1292} ( segid " " and resid 105 and name HB% ) (( segid " " and resid 150 and name HZ2 )) ASSI { 1341} (( segid " " and resid 176 and name HB )) (( segid " " and resid 176 and name HA )) 3.300 1.300 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.10743E-02 ppm1 1.393 ppm2 3.366 CV 1 OR { 1341} (( segid " " and resid 176 and name HB )) (( segid " " and resid 173 and name HA )) ASSI { 1355} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 16 and name H )) 3.400 1.500 1.500 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 0.867 ppm2 8.427 CV 1 OR { 1355} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 180 and name H )) ASSI { 1357} ( segid " " and resid 176 and name HD1%) ( segid " " and resid 176 and name HG2%) 2.200 0.600 0.600 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.99282E-02 ppm1 0.526 ppm2 0.836 CV 1 OR { 1357} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 66 and name HG2%) ASSI { 1359} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HG13)) 2.300 0.700 0.700 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.70857E-02 ppm1 0.527 ppm2 1.589 CV 1 OR { 1359} ( segid " " and resid 176 and name HD1%) (( segid " " and resid 176 and name HG13)) OR { 1359} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HG12)) ASSI { 1409} (( segid " " and resid 111 and name HB )) (( segid " " and resid 111 and name H )) 2.800 1.000 1.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 1.252 ppm2 7.791 CV 1 OR { 1409} (( segid " " and resid 111 and name HB )) (( segid " " and resid 112 and name H )) ASSI { 1497} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HD1%) 4.000 2.000 2.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.17748E-02 ppm1 5.141 ppm2 0.716 CV 1 OR { 1497} (( segid " " and resid 89 and name HA )) ( segid " " and resid 17 and name HG1%) ASSI { 1506} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HG12)) 2.600 0.800 0.800 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.32028E-02 ppm1 0.994 ppm2 1.408 CV 1 OR { 1506} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 67 and name HB3 )) ASSI { 1514} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 87 and name H )) 3.800 1.800 1.800 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 0.994 ppm2 7.871 CV 1 OR { 1514} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 86 and name H )) ASSI { 1553} ( segid " " and resid 34 and name HE% ) ( segid " " and resid 66 and name HD1%) 3.500 1.500 1.500 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 6.873 ppm2 0.536 CV 1 OR { 1553} ( segid " " and resid 34 and name HE% ) ( segid " " and resid 55 and name HG2%) ASSI { 1586} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HB3 )) 2.700 0.900 0.900 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.30714E-02 ppm1 4.513 ppm2 3.162 CV 1 OR { 1586} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HD3 )) OR { 1586} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HD2 )) ASSI { 1587} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG2 )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.65603E-02 ppm1 4.543 ppm2 2.433 CV 1 OR { 1587} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HE2 )) ASSI { 1606} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name H )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.50549E-02 ppm1 4.046 ppm2 7.669 CV 1 OR { 1606} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name H )) ASSI { 1607} (( segid " " and resid 161 and name HB )) (( segid " " and resid 161 and name H )) 3.700 1.800 1.800 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.13404E-02 ppm1 4.344 ppm2 7.660 CV 1 OR { 1607} (( segid " " and resid 161 and name HB )) (( segid " " and resid 162 and name H )) ASSI { 1616} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name H )) 2.900 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 5.117 ppm2 8.235 CV 1 OR { 1616} (( segid " " and resid 156 and name HA )) (( segid " " and resid 127 and name H )) ASSI { 1618} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB3 )) 1.900 0.500 0.500 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.10831E-01 ppm1 1.657 ppm2 2.146 CV 1 OR { 1618} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 156 and name HG2 )) OR { 1618} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HG3 )) OR { 1618} (( segid " " and resid 156 and name HB3 )) (( segid " " and resid 156 and name HG3 )) ASSI { 1620} (( segid " " and resid 156 and name HG3 )) (( segid " " and resid 156 and name H )) 2.700 0.900 0.900 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.57656E-02 ppm1 2.190 ppm2 8.169 CV 1 OR { 1620} (( segid " " and resid 156 and name HG2 )) (( segid " " and resid 156 and name H )) OR { 1620} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name H )) ASSI { 1627} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HA )) 2.700 0.900 0.900 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.10480E-01 ppm1 2.189 ppm2 4.074 CV 1 OR { 1627} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) OR { 1627} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 73 and name HA )) OR { 1627} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HA )) ASSI { 1632} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HB2 )) 1.700 0.400 0.500 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.58363E-01 ppm1 2.170 ppm2 1.975 CV 1 OR { 1632} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB3 )) OR { 1632} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name HB3 )) OR { 1632} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name HB2 )) OR { 1632} (( segid " " and resid 117 and name HG3 )) (( segid " " and resid 117 and name HB3 )) OR { 1632} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 117 and name HB3 )) OR { 1632} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HB3 )) OR { 1632} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB2 )) ASSI { 1637} (( segid " " and resid 154 and name HA )) ( segid " " and resid 147 and name HB% ) 4.000 2.000 2.000 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 5.765 ppm2 1.381 CV 1 OR { 1637} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HB )) ASSI { 1638} (( segid " " and resid 160 and name HE2 )) (( segid " " and resid 160 and name H )) 2.300 2.300 3.700 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.12663E-02 ppm1 2.711 ppm2 6.899 CV 1 OR { 1638} (( segid " " and resid 160 and name HE3 )) (( segid " " and resid 160 and name H )) OR { 1638} (( segid " " and resid 160 and name HE3 )) ( segid " " and resid 39 and name HD% ) ASSI { 1644} ( segid " " and resid 89 and name HD% ) (( segid " " and resid 18 and name HB )) 2.700 0.900 0.900 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 6.862 ppm2 1.592 CV 1 OR { 1644} ( segid " " and resid 154 and name HD% ) (( segid " " and resid 144 and name HG2 )) ASSI { 1647} ( segid " " and resid 89 and name HD% ) (( segid " " and resid 89 and name H )) 3.500 1.500 1.500 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 6.846 ppm2 8.129 CV 1 OR { 1647} ( segid " " and resid 154 and name HD% ) (( segid " " and resid 154 and name H )) ASSI { 1659} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HA )) 2.300 0.700 0.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.72643E-02 ppm1 1.942 ppm2 4.335 CV 1 OR { 1659} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HA )) OR { 1659} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) OR { 1659} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HA )) ASSI { 1660} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) 2.400 0.700 0.700 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.75707E-02 ppm1 1.955 ppm2 2.376 CV 1 OR { 1660} (( segid " " and resid 183 and name HB2 )) (( segid " " and resid 183 and name HG3 )) OR { 1660} (( segid " " and resid 153 and name HB3 )) (( segid " " and resid 153 and name HG2 )) ASSI { 1661} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 115 and name HB2 )) 1.600 0.300 0.600 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.14461E-01 ppm1 1.924 ppm2 1.700 CV 1 OR { 1661} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HG3 )) OR { 1661} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG3 )) ASSI { 1697} ( segid " " and resid 154 and name HE% ) ( segid " " and resid 154 and name HD% ) 2.600 0.900 0.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.27850E-02 ppm1 6.656 ppm2 6.864 CV 1 OR { 1697} ( segid " " and resid 154 and name HE% ) (( segid " " and resid 93 and name HZ )) ASSI { 1700} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 2.500 0.800 0.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.61765E-02 ppm1 3.931 ppm2 2.340 CV 1 OR { 1700} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HG3 )) ASSI { 1703} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name H )) 2.400 0.700 0.700 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.85102E-02 ppm1 3.930 ppm2 7.736 CV 1 OR { 1703} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name H )) ASSI { 1705} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 149 and name H )) 2.100 0.500 0.500 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.13175E-01 ppm1 2.015 ppm2 7.737 CV 1 OR { 1705} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name H )) OR { 1705} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 150 and name H )) ASSI { 1710} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 148 and name HG3 )) 2.300 0.700 0.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.11582E-01 ppm1 2.073 ppm2 2.396 CV 1 OR { 1710} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HG3 )) OR { 1710} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 99 and name HG2 )) OR { 1710} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HG2 )) ASSI { 1711} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 183 and name HG2 )) 1.300 0.200 0.900 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.77361E-01 ppm1 2.360 ppm2 2.193 CV 1 OR { 1711} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HG2 )) ASSI { 1712} (( segid " " and resid 183 and name HG2 )) (( segid " " and resid 183 and name HG3 )) 1.300 0.200 0.900 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.52628E-01 ppm1 2.232 ppm2 2.390 CV 1 OR { 1712} (( segid " " and resid 175 and name HG2 )) (( segid " " and resid 175 and name HG3 )) ASSI { 1714} (( segid " " and resid 175 and name HG3 )) (( segid " " and resid 175 and name HA )) 2.400 0.700 0.700 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.89447E-02 ppm1 2.358 ppm2 4.063 CV 1 OR { 1714} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HA )) ASSI { 1716} (( segid " " and resid 149 and name HG3 )) (( segid " " and resid 150 and name H )) 3.600 1.600 1.600 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.52032E-02 ppm1 2.338 ppm2 7.734 CV 1 OR { 1716} (( segid " " and resid 149 and name HG3 )) (( segid " " and resid 149 and name H )) ASSI { 1749} (( segid " " and resid 142 and name HG3 )) (( segid " " and resid 142 and name HG2 )) 1.700 0.400 0.500 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.17341E-01 ppm1 2.132 ppm2 1.766 CV 1 OR { 1749} (( segid " " and resid 142 and name HG3 )) (( segid " " and resid 142 and name HB3 )) OR { 1749} (( segid " " and resid 142 and name HG3 )) (( segid " " and resid 142 and name HB2 )) OR { 1749} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HB2 )) ASSI { 1757} (( segid " " and resid 167 and name HA )) ( segid " " and resid 170 and name HD% ) 3.200 1.300 1.300 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.11349E-02 ppm1 3.860 ppm2 7.351 CV 1 OR { 1757} (( segid " " and resid 167 and name HA )) (( segid " " and resid 168 and name H )) ASSI { 1763} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 140 and name HA )) 4.400 2.400 1.600 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.10945E-02 ppm1 1.841 ppm2 3.497 CV 1 OR { 1763} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 140 and name HA )) OR { 1763} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 143 and name HA )) ASSI { 1765} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.34519E-02 ppm1 3.845 ppm2 2.182 CV 1 OR { 1765} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG3 )) OR { 1765} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG2 )) ASSI { 1767} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB3 )) 2.300 0.700 0.700 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.10447E-01 ppm1 3.844 ppm2 1.840 CV 1 OR { 1767} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) OR { 1767} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG )) ASSI { 1779} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 63 and name HG2 )) 1.700 0.400 0.500 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.20890E-01 ppm1 2.250 ppm2 1.865 CV 1 OR { 1779} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB3 )) OR { 1779} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB2 )) ASSI { 1784} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG3 )) 3.300 1.400 1.400 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.38528E-02 ppm1 4.541 ppm2 2.642 CV 1 OR { 1784} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HE3 )) ASSI { 1809} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG3 )) 2.000 0.500 0.500 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.28481E-01 ppm1 1.986 ppm2 2.190 CV 1 OR { 1809} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HG2 )) OR { 1809} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HG2 )) OR { 1809} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HG3 )) OR { 1809} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG2 )) OR { 1809} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HG2 )) OR { 1809} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HG3 )) ASSI { 1812} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG2 )) 2.600 0.800 0.800 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.50953E-02 ppm1 3.665 ppm2 2.195 CV 1 OR { 1812} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) OR { 1812} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG3 )) ASSI { 1813} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.500 0.800 0.800 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.64425E-02 ppm1 3.660 ppm2 1.987 CV 1 OR { 1813} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) OR { 1813} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HG2 )) ASSI { 1817} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name H )) 2.800 1.000 1.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.28357E-02 ppm1 3.662 ppm2 7.446 CV 1 OR { 1817} (( segid " " and resid 133 and name HA )) (( segid " " and resid 136 and name H )) ASSI { 1836} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HG3 )) 2.300 0.700 0.700 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.57487E-02 ppm1 2.151 ppm2 2.378 CV 1 OR { 1836} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG3 )) ASSI { 1837} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HB2 )) 1.700 0.300 0.500 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.16805E-01 ppm1 1.828 ppm2 2.147 CV 1 OR { 1837} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HG3 )) ASSI { 1861} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 129 and name H )) 3.300 1.300 1.300 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.19331E-02 ppm1 0.867 ppm2 7.201 CV 1 OR { 1861} (( segid " " and resid 129 and name HD3 )) (( segid " " and resid 129 and name H )) OR { 1861} (( segid " " and resid 95 and name HG12)) (( segid " " and resid 138 and name H )) ASSI { 1866} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 129 and name HA )) 3.200 1.300 1.300 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.10844E-02 ppm1 0.863 ppm2 4.123 CV 1 OR { 1866} (( segid " " and resid 129 and name HD3 )) (( segid " " and resid 129 and name HA )) OR { 1866} (( segid " " and resid 95 and name HG12)) (( segid " " and resid 95 and name HA )) ASSI { 1873} ( segid " " and resid 132 and name HD2%) (( segid " " and resid 132 and name HG )) 2.400 0.700 0.700 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.68130E-02 ppm1 0.861 ppm2 1.436 CV 1 OR { 1873} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 129 and name HB3 )) ASSI { 1874} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 132 and name HG )) 2.100 0.600 0.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.12962E-01 ppm1 0.651 ppm2 1.429 CV 1 OR { 1874} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 172 and name HB3 )) ASSI { 1875} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 172 and name HG )) 2.200 0.600 0.600 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.95946E-02 ppm1 0.643 ppm2 1.269 CV 1 OR { 1875} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 132 and name HB2 )) ASSI { 1901} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 124 and name H )) 2.800 1.000 1.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.23641E-02 ppm1 1.455 ppm2 8.277 CV 1 OR { 1901} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 125 and name H )) ASSI { 1902} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name H )) 3.200 1.300 1.300 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.23878E-02 ppm1 1.311 ppm2 8.262 CV 1 OR { 1902} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 125 and name H )) ASSI { 1909} ( segid " " and resid 123 and name HD1%) ( segid " " and resid 152 and name HG1%) 2.700 0.900 0.900 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.15444E-01 ppm1 0.671 ppm2 0.977 CV 1 OR { 1909} ( segid " " and resid 124 and name HD1%) ( segid " " and resid 152 and name HG1%) ASSI { 1923} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 172 and name H )) 2.700 0.900 0.900 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.73113E-02 ppm1 0.748 ppm2 7.512 CV 1 OR { 1923} ( segid " " and resid 124 and name HD2%) (( segid " " and resid 153 and name HE22)) ASSI { 1925} ( segid " " and resid 124 and name HD1%) (( segid " " and resid 91 and name H )) 4.100 2.100 1.900 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 0.670 ppm2 8.500 CV 1 OR { 1925} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 91 and name H )) ASSI { 1951} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 91 and name H )) 4.100 2.100 1.900 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.87224E-03 ppm1 0.591 ppm2 8.499 CV 1 OR { 1951} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 90 and name H )) ASSI { 1954} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name H )) 2.000 0.500 0.500 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.14687E-01 ppm1 4.292 ppm2 8.312 CV 1 OR { 1954} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name H )) ASSI { 1960} (( segid " " and resid 167 and name HE3 )) (( segid " " and resid 167 and name HD2 )) 2.300 0.700 0.700 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.87427E-02 ppm1 2.623 ppm2 1.240 CV 1 OR { 1960} (( segid " " and resid 53 and name HE3 )) (( segid " " and resid 53 and name HG3 )) OR { 1960} (( segid " " and resid 53 and name HE3 )) (( segid " " and resid 53 and name HG2 )) ASSI { 1993} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name H )) 3.600 1.600 1.600 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.28222E-02 ppm1 1.508 ppm2 7.669 CV 1 OR { 1993} (( segid " " and resid 112 and name HG )) (( segid " " and resid 113 and name H )) ASSI { 2029} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 100 and name H )) 3.100 1.200 1.200 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.17479E-02 ppm1 2.054 ppm2 7.584 CV 1 OR { 2029} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 110 and name H )) OR { 2029} (( segid " " and resid 99 and name HB3 )) (( segid " " and resid 100 and name H )) ASSI { 2031} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HB2 )) 1.800 0.400 0.400 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.41754E-01 ppm1 2.253 ppm2 1.977 CV 1 OR { 2031} (( segid " " and resid 183 and name HG2 )) (( segid " " and resid 183 and name HB3 )) OR { 2031} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB3 )) OR { 2031} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB3 )) OR { 2031} (( segid " " and resid 183 and name HG2 )) (( segid " " and resid 183 and name HB2 )) OR { 2031} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HB3 )) OR { 2031} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB2 )) OR { 2031} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB2 )) ASSI { 2036} (( segid " " and resid 107 and name HB3 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.26570E-02 ppm1 2.765 ppm2 4.180 CV 1 OR { 2036} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HA )) OR { 2036} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) ASSI { 2038} (( segid " " and resid 107 and name HA )) ( segid " " and resid 20 and name HG2%) 4.300 2.400 1.700 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.17950E-02 ppm1 4.201 ppm2 0.745 CV 1 OR { 2038} (( segid " " and resid 107 and name HA )) ( segid " " and resid 91 and name HD1%) OR { 2038} (( segid " " and resid 107 and name HA )) ( segid " " and resid 91 and name HD2%) ASSI { 2039} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 20 and name HG2%) 2.800 1.000 1.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.28895E-02 ppm1 2.770 ppm2 0.743 CV 1 OR { 2039} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 91 and name HD2%) OR { 2039} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 20 and name HG2%) OR { 2039} (( segid " " and resid 107 and name HB3 )) ( segid " " and resid 91 and name HD2%) ASSI { 2046} ( segid " " and resid 107 and name HD% ) ( segid " " and resid 104 and name HG2%) 3.700 1.700 1.700 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.28019E-02 ppm1 7.151 ppm2 1.595 CV 1 OR { 2046} ( segid " " and resid 107 and name HD% ) ( segid " " and resid 103 and name HB% ) ASSI { 2048} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HB3 )) 2.100 0.600 0.600 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.13548E-01 ppm1 3.989 ppm2 1.834 CV 1 OR { 2048} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) OR { 2048} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) ASSI { 2063} (( segid " " and resid 149 and name HG2 )) (( segid " " and resid 149 and name H )) 3.400 1.400 1.400 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.44791E-02 ppm1 2.076 ppm2 7.740 CV 1 OR { 2063} (( segid " " and resid 149 and name HG2 )) (( segid " " and resid 150 and name H )) ASSI { 2102} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HA )) 2.500 0.800 0.800 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.76818E-02 ppm1 2.417 ppm2 4.277 CV 1 OR { 2102} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 183 and name HA )) OR { 2102} (( segid " " and resid 99 and name HG3 )) (( segid " " and resid 99 and name HA )) ASSI { 2119} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 97 and name H )) 3.300 1.400 1.400 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.18590E-02 ppm1 1.761 ppm2 7.672 CV 1 OR { 2119} (( segid " " and resid 162 and name HG3 )) (( segid " " and resid 162 and name H )) ASSI { 2126} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 97 and name HB2 )) 1.800 0.400 0.400 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.13895E-01 ppm1 1.773 ppm2 2.148 CV 1 OR { 2126} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG3 )) OR { 2126} (( segid " " and resid 162 and name HG3 )) (( segid " " and resid 162 and name HB2 )) OR { 2126} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 97 and name HG3 )) ASSI { 2146} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name H )) 3.100 1.200 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 3.947 ppm2 8.151 CV 1 OR { 2146} (( segid " " and resid 172 and name HA )) (( segid " " and resid 173 and name H )) ASSI { 2187} (( segid " " and resid 63 and name HA )) ( segid " " and resid 55 and name HG2%) 3.900 1.900 1.900 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 5.239 ppm2 0.550 CV 1 OR { 2187} (( segid " " and resid 63 and name HA )) ( segid " " and resid 14 and name HD2%) OR { 2187} (( segid " " and resid 63 and name HA )) ( segid " " and resid 14 and name HD1%) ASSI { 2211} (( segid " " and resid 61 and name HA )) (( segid " " and resid 56 and name HB )) 1.900 0.500 0.500 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.58429E-02 ppm1 4.563 ppm2 1.846 CV 1 OR { 2211} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB3 )) ASSI { 2218} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 115 and name HA )) 2.600 0.800 0.800 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.20375E-02 ppm1 1.923 ppm2 4.547 CV 1 OR { 2218} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HA )) ASSI { 2237} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.45566E-02 ppm1 2.033 ppm2 4.513 CV 1 OR { 2237} (( segid " " and resid 60 and name HG3 )) (( segid " " and resid 60 and name HA )) ASSI { 2257} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 121 and name H )) 2.500 0.800 0.800 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.59374E-02 ppm1 1.696 ppm2 8.339 CV 1 OR { 2257} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name H )) OR { 2257} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 121 and name H )) ASSI { 2260} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name H )) 4.000 2.000 2.000 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 1.188 ppm2 8.345 CV 1 OR { 2260} (( segid " " and resid 54 and name HG3 )) (( segid " " and resid 54 and name H )) ASSI { 2309} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 16 and name HB3 )) 2.700 0.900 0.900 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.48765E-02 ppm1 0.551 ppm2 1.320 CV 1 OR { 2309} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB3 )) ASSI { 2325} (( segid " " and resid 66 and name HB )) ( segid " " and resid 66 and name HG2%) 2.300 0.700 0.700 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.82746E-02 ppm1 1.527 ppm2 0.824 CV 1 OR { 2325} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 12 and name HD1%) OR { 2325} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 12 and name HD2%) ASSI { 2369} (( segid " " and resid 17 and name HB )) (( segid " " and resid 17 and name HA )) 3.000 1.200 1.200 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 1.964 ppm2 4.494 CV 1 OR { 2369} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HA )) ASSI { 2389} (( segid " " and resid 185 and name HD3 )) (( segid " " and resid 185 and name HE2 )) 1.800 0.400 0.400 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.42786E-01 ppm1 1.618 ppm2 2.935 CV 1 OR { 2389} (( segid " " and resid 120 and name HD2 )) (( segid " " and resid 120 and name HE2 )) OR { 2389} (( segid " " and resid 185 and name HD2 )) (( segid " " and resid 185 and name HE3 )) OR { 2389} (( segid " " and resid 120 and name HD3 )) (( segid " " and resid 120 and name HE2 )) OR { 2389} (( segid " " and resid 120 and name HD3 )) (( segid " " and resid 120 and name HE3 )) OR { 2389} (( segid " " and resid 185 and name HD2 )) (( segid " " and resid 185 and name HE2 )) OR { 2389} (( segid " " and resid 185 and name HD3 )) (( segid " " and resid 185 and name HE3 )) ASSI { 2390} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HG2 )) 2.400 0.700 0.700 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.11279E-01 ppm1 2.934 ppm2 1.266 CV 1 OR { 2390} (( segid " " and resid 120 and name HE3 )) (( segid " " and resid 120 and name HG3 )) OR { 2390} (( segid " " and resid 185 and name HE3 )) (( segid " " and resid 185 and name HG3 )) OR { 2390} (( segid " " and resid 185 and name HE2 )) (( segid " " and resid 185 and name HG2 )) OR { 2390} (( segid " " and resid 185 and name HE3 )) (( segid " " and resid 185 and name HG2 )) OR { 2390} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HG2 )) OR { 2390} (( segid " " and resid 120 and name HE2 )) (( segid " " and resid 120 and name HG3 )) ASSI { 2395} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HG2 )) 2.800 1.000 1.000 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.36506E-02 ppm1 3.991 ppm2 1.322 CV 1 OR { 2395} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HG2 )) ASSI { 2409} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HD2 )) 1.900 0.500 0.500 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.13808E-01 ppm1 1.632 ppm2 1.843 CV 1 OR { 2409} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 132 and name HB3 )) ASSI { 2411} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name H )) 2.400 0.700 0.700 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.62472E-02 ppm1 3.994 ppm2 7.694 CV 1 OR { 2411} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name H )) ASSI { 2418} (( segid " " and resid 179 and name HD3 )) (( segid " " and resid 179 and name HG2 )) 2.100 0.600 0.600 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.84530E-02 ppm1 1.641 ppm2 1.326 CV 1 OR { 2418} (( segid " " and resid 180 and name HD3 )) (( segid " " and resid 180 and name HG2 )) OR { 2418} (( segid " " and resid 180 and name HD2 )) (( segid " " and resid 180 and name HG2 )) OR { 2418} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HG3 )) ASSI { 2419} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HG3 )) 2.600 0.800 0.800 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.51021E-02 ppm1 3.987 ppm2 1.467 CV 1 OR { 2419} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HG2 )) OR { 2419} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HG3 )) ASSI { 2424} (( segid " " and resid 180 and name HG3 )) (( segid " " and resid 180 and name HB3 )) 2.600 0.800 0.800 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 1.455 ppm2 1.871 CV 1 OR { 2424} (( segid " " and resid 179 and name HG3 )) (( segid " " and resid 179 and name HB3 )) OR { 2424} (( segid " " and resid 180 and name HG3 )) (( segid " " and resid 180 and name HB2 )) ASSI { 2425} (( segid " " and resid 179 and name HG3 )) (( segid " " and resid 179 and name HD2 )) 2.100 0.600 0.600 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.87325E-02 ppm1 1.458 ppm2 1.640 CV 1 OR { 2425} (( segid " " and resid 180 and name HG3 )) (( segid " " and resid 180 and name HD2 )) OR { 2425} (( segid " " and resid 180 and name HG3 )) (( segid " " and resid 180 and name HD3 )) OR { 2425} (( segid " " and resid 179 and name HG3 )) (( segid " " and resid 179 and name HD3 )) ASSI { 2426} (( segid " " and resid 179 and name HG3 )) (( segid " " and resid 179 and name HA )) 2.600 0.900 0.900 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.37921E-02 ppm1 1.455 ppm2 3.995 CV 1 OR { 2426} (( segid " " and resid 180 and name HG3 )) (( segid " " and resid 180 and name HA )) ASSI { 2442} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 140 and name H )) 3.000 1.100 1.100 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.15862E-02 ppm1 1.663 ppm2 8.795 CV 1 OR { 2442} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 141 and name H )) ASSI { 2446} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name H )) 2.800 1.000 1.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.28188E-02 ppm1 3.606 ppm2 7.738 CV 1 OR { 2446} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name H )) ASSI { 2451} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HE3 )) 4.500 2.500 1.500 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 3.603 ppm2 2.342 CV 1 OR { 2451} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HG3 )) ASSI { 2460} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name H )) 3.100 1.200 1.200 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.13505E-02 ppm1 3.518 ppm2 7.704 CV 1 OR { 2460} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name H )) ASSI { 2468} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HD3 )) 2.000 0.500 0.500 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.36641E-02 ppm1 1.257 ppm2 0.896 CV 1 OR { 2468} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HD2 )) OR { 2468} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HD3 )) ASSI { 2486} (( segid " " and resid 146 and name HE2 )) (( segid " " and resid 146 and name H )) 2.500 2.500 3.500 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.79141E-03 ppm1 2.523 ppm2 7.049 CV 1 OR { 2486} (( segid " " and resid 146 and name HE2 )) (( segid " " and resid 150 and name HZ2 )) ASSI { 2487} (( segid " " and resid 146 and name HE3 )) (( segid " " and resid 146 and name H )) 2.400 2.400 3.600 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.11248E-02 ppm1 2.326 ppm2 7.061 CV 1 OR { 2487} (( segid " " and resid 146 and name HE3 )) (( segid " " and resid 150 and name HZ2 )) ASSI { 2512} (( segid " " and resid 135 and name HD3 )) (( segid " " and resid 96 and name HB )) 3.200 1.300 1.300 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.62976E-02 ppm1 3.153 ppm2 4.503 CV 1 OR { 2512} (( segid " " and resid 135 and name HD3 )) (( segid " " and resid 135 and name HA )) OR { 2512} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HA )) ASSI { 2574} (( segid " " and resid 182 and name HB3 )) (( segid " " and resid 182 and name HA )) 2.100 0.600 0.600 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.17324E-01 ppm1 3.977 ppm2 4.364 CV 1 OR { 2574} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 22 and name HA )) OR { 2574} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) OR { 2574} (( segid " " and resid 182 and name HB2 )) (( segid " " and resid 182 and name HA )) ASSI { 2591} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG )) 3.000 1.100 1.100 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.12393E-02 ppm1 2.117 ppm2 1.838 CV 1 OR { 2591} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 19 and name HE% ) ASSI { 2640} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HG12)) 2.800 1.000 1.000 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.22564E-02 ppm1 0.922 ppm2 1.423 CV 1 OR { 2640} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 67 and name HB2 )) OR { 2640} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 67 and name HB3 )) ASSI { 2644} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 92 and name HG1%) 2.400 0.700 0.700 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.10518E-01 ppm1 1.803 ppm2 0.658 CV 1 OR { 2644} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 90 and name HB2 )) ASSI { 2645} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 31 and name HG2%) 2.400 0.700 0.700 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.86079E-02 ppm1 1.809 ppm2 0.548 CV 1 OR { 2645} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 92 and name HG2%) ASSI { 2662} (( segid " " and resid 27 and name HA )) ( segid " " and resid 92 and name HG2%) 3.500 1.500 1.500 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 3.571 ppm2 0.573 CV 1 OR { 2662} (( segid " " and resid 27 and name HA )) ( segid " " and resid 30 and name HD2%) ASSI { 2668} (( segid " " and resid 91 and name HB3 )) ( segid " " and resid 91 and name HD1%) 2.900 1.100 1.100 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.35530E-02 ppm1 1.140 ppm2 0.742 CV 1 OR { 2668} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 30 and name HD1%) ASSI { 2669} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HG )) 3.200 1.300 1.300 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.13774E-02 ppm1 1.127 ppm2 1.821 CV 1 OR { 2669} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 19 and name HE% ) ASSI { 2683} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 128 and name HD22)) 3.700 1.700 1.700 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.12023E-02 ppm1 0.566 ppm2 7.548 CV 1 OR { 2683} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 31 and name H )) ASSI { 2707} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 66 and name HD1%) 3.700 1.700 1.700 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.17782E-02 ppm1 1.660 ppm2 0.526 CV 1 OR { 2707} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 31 and name HG2%) ASSI { 2718} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 36 and name HD% ) 2.900 1.000 1.000 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.16738E-02 ppm1 3.406 ppm2 6.951 CV 1 OR { 2718} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 38 and name H )) ASSI { 2719} (( segid " " and resid 36 and name HB3 )) ( segid " " and resid 36 and name HD% ) 3.300 1.400 1.400 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 2.440 ppm2 6.936 CV 1 OR { 2719} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 38 and name H )) ASSI { 2730} (( segid " " and resid 184 and name HB3 )) (( segid " " and resid 184 and name HD21)) 3.400 1.500 1.500 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 2.837 ppm2 6.867 CV 1 OR { 2730} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name H )) ASSI { 2733} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 33 and name HE22)) 4.200 2.200 1.800 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.66682E-03 ppm1 2.908 ppm2 6.392 CV 1 OR { 2733} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 39 and name HE% ) ASSI { 2743} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name H )) 2.600 0.900 0.900 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.29703E-02 ppm1 3.526 ppm2 7.878 CV 1 OR { 2743} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name H )) ASSI { 2764} ( segid " " and resid 138 and name HG1%) ( segid " " and resid 93 and name HE% ) 2.600 0.800 0.800 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.52032E-02 ppm1 0.709 ppm2 7.384 CV 1 OR { 2764} ( segid " " and resid 138 and name HG1%) (( segid " " and resid 98 and name HD2 )) ASSI { 2795} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 55 and name HG2%) 4.600 2.600 1.400 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.88908E-03 ppm1 1.184 ppm2 0.550 CV 1 OR { 2795} (( segid " " and resid 54 and name HG3 )) ( segid " " and resid 55 and name HG2%) ASSI { 2823} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 19 and name HB3 )) 3.400 1.400 1.400 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 0.838 ppm2 2.347 CV 1 OR { 2823} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 68 and name HB2 )) ASSI { 2829} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 18 and name HD1%) 3.300 1.400 1.400 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.43914E-02 ppm1 -0.282 ppm2 0.996 CV 1 OR { 2829} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 48 and name HB% ) ASSI { 2851} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG3 )) 2.100 0.600 0.600 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.20520E-01 ppm1 1.923 ppm2 2.199 CV 1 OR { 2851} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG2 )) OR { 2851} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG3 )) OR { 2851} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG2 )) OR { 2851} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 117 and name HG3 )) ASSI { 2856} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name H )) 3.900 1.900 1.900 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.85541E-03 ppm1 3.120 ppm2 7.883 CV 1 OR { 2856} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 76 and name H )) ASSI { 2857} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name H )) 2.800 1.000 1.000 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 2.688 ppm2 7.902 CV 1 OR { 2857} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name H )) ASSI { 2908} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HA )) 2.600 0.900 0.900 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.57252E-02 ppm1 3.816 ppm2 4.434 CV 1 OR { 2908} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HA )) OR { 2908} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HA )) ASSI { 2921} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 91 and name H )) 4.100 2.100 1.900 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.83857E-03 ppm1 1.932 ppm2 8.501 CV 1 OR { 2921} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name H )) ASSI { 2924} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name HB2 )) 2.000 0.500 0.500 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.44756E-02 ppm1 1.911 ppm2 0.714 CV 1 OR { 2924} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 32 and name HD1%) ASSI { 2937} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 91 and name H )) 3.900 1.900 1.900 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.21722E-02 ppm1 0.453 ppm2 8.500 CV 1 OR { 2937} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 90 and name H )) ASSI { 2959} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 94 and name H )) 3.200 1.300 1.300 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.79479E-03 ppm1 3.740 ppm2 8.805 CV 1 OR { 2959} (( segid " " and resid 94 and name HB3 )) (( segid " " and resid 95 and name H )) ASSI { 2960} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name H )) 3.700 1.700 1.700 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.73417E-03 ppm1 3.529 ppm2 8.842 CV 1 OR { 2960} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 95 and name H )) ASSI { 2967} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 141 and name H )) 3.500 1.500 1.500 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.23203E-02 ppm1 2.373 ppm2 8.786 CV 1 OR { 2967} (( segid " " and resid 139 and name HB3 )) (( segid " " and resid 140 and name H )) ASSI { 3104} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 146 and name HA )) 4.100 2.200 1.900 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 -0.448 ppm2 3.594 CV 1 OR { 3104} (( segid " " and resid 146 and name HG3 )) (( segid " " and resid 143 and name HA )) ASSI { 3200} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name H )) 2.900 1.000 1.000 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 3.944 ppm2 7.525 CV 1 OR { 3200} (( segid " " and resid 172 and name HA )) (( segid " " and resid 175 and name H )) ASSI { 3227} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name H )) 2.800 1.000 1.000 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.17748E-02 ppm1 3.323 ppm2 8.206 CV 1 OR { 3227} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name H )) ASSI { 3228} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 174 and name H )) 4.000 2.000 2.000 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.78468E-03 ppm1 1.580 ppm2 8.201 CV 1 OR { 3228} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 173 and name H )) ASSI { 3233} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name H )) 2.600 0.900 0.900 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.13943E-02 ppm1 2.371 ppm2 8.214 CV 1 OR { 3233} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 174 and name H )) ASSI { 3264} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB3 )) 2.900 1.000 1.000 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.23810E-02 ppm1 3.655 ppm2 1.818 CV 1 OR { 3264} (( segid " " and resid 177 and name HA )) (( segid " " and resid 177 and name HG3 )) OR { 3264} (( segid " " and resid 177 and name HA )) (( segid " " and resid 180 and name HB2 )) ASSI { 3274} (( segid " " and resid 173 and name HG2 )) (( segid " " and resid 173 and name H )) 3.800 1.800 1.800 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 1.836 ppm2 8.195 CV 1 OR { 3274} (( segid " " and resid 173 and name HG2 )) (( segid " " and resid 174 and name H )) ASSI { 3314} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 174 and name HA )) 3.700 1.700 1.700 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.71395E-03 ppm1 7.272 ppm2 3.644 CV 1 OR { 3314} (( segid " " and resid 15 and name HE1 )) (( segid " " and resid 177 and name HA )) ASSI { 3329} (( segid " " and resid 150 and name HZ3 )) ( segid " " and resid 104 and name HG2%) 4.400 2.400 1.600 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 6.599 ppm2 1.596 CV 1 OR { 3329} (( segid " " and resid 150 and name HZ3 )) ( segid " " and resid 105 and name HB% ) ASSI { 3375} ( segid " " and resid 82 and name HD% ) (( segid " " and resid 79 and name HA )) 4.400 2.400 1.600 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.87224E-03 ppm1 6.760 ppm2 3.699 CV 1 OR { 3375} ( segid " " and resid 82 and name HD% ) (( segid " " and resid 429 and name HA )) ASSI { 3453} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HD3 )) 3.000 1.200 1.200 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.16401E-02 ppm1 1.416 ppm2 2.999 CV 1 OR { 3453} (( segid " " and resid 177 and name HG2 )) (( segid " " and resid 177 and name HD3 )) ASSI { 3456} (( segid " " and resid 177 and name HG3 )) (( segid " " and resid 177 and name HD3 )) 2.700 0.900 0.900 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.16536E-02 ppm1 1.822 ppm2 3.028 CV 1 OR { 3456} (( segid " " and resid 45 and name HG3 )) (( segid " " and resid 45 and name HD3 )) ASSI { 3457} (( segid " " and resid 177 and name HG3 )) (( segid " " and resid 174 and name HA )) 3.200 1.300 1.300 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.89919E-03 ppm1 1.823 ppm2 3.644 CV 1 OR { 3457} (( segid " " and resid 177 and name HG3 )) (( segid " " and resid 177 and name HA )) ASSI { 3460} (( segid " " and resid 177 and name HG2 )) (( segid " " and resid 177 and name HA )) 3.200 1.300 1.300 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 1.437 ppm2 3.655 CV 1 OR { 3460} (( segid " " and resid 177 and name HG2 )) (( segid " " and resid 174 and name HA ))
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