NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
1530 | 1aoy | cing | recoord | dress | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 13} (( segid " " and resid "8 " and name "HG2 ")) (( segid " " and resid "8 " and name "HN ")) 2.600 0.800 0.800 peak 13 weight 0.10000E+01 volume 0.27790E+06 ppm1 2.387 ppm2 8.705 OR { 13} (( segid " " and resid "8 " and name "HG3 ")) (( segid " " and resid "8 " and name "HN ")) ASSI { 24} (( segid " " and resid "2 " and name "HA ")) (( segid " " and resid "2 " and name "HN ")) 4.600 2.600 2.400 peak 24 weight 0.10000E+01 volume 0.84850E+04 ppm1 4.432 ppm2 8.848 ASSI { 37} (( segid " " and resid "2 " and name "HB2 ")) (( segid " " and resid "2 " and name "HE ")) 6.000 6.000 1.000 peak 37 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.849 ppm2 7.240 ASSI { 38} (( segid " " and resid "2 " and name "HB3 ")) (( segid " " and resid "2 " and name "HN ")) 3.800 1.800 1.800 peak 38 weight 0.10000E+01 volume 0.29440E+05 ppm1 1.760 ppm2 8.848 ASSI { 45} (( segid " " and resid "2 " and name "HG2 ")) (( segid " " and resid "2 " and name "HN ")) 3.900 1.900 1.900 peak 45 weight 0.10000E+01 volume 0.23470E+05 ppm1 1.649 ppm2 8.848 OR { 45} (( segid " " and resid "2 " and name "HG3 ")) (( segid " " and resid "2 " and name "HN ")) ASSI { 58} (( segid " " and resid "2 " and name "HD3 ")) (( segid " " and resid "2 " and name "HE ")) 6.000 6.000 1.000 peak 58 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.159 ppm2 7.240 OR { 58} (( segid " " and resid "2 " and name "HD2 ")) (( segid " " and resid "2 " and name "HE ")) ASSI { 70} (( segid " " and resid "3 " and name "HA ")) (( segid " " and resid "3 " and name "HN ")) 3.300 1.400 1.400 peak 70 weight 0.10000E+01 volume 0.67730E+05 ppm1 4.474 ppm2 8.674 ASSI { 74} (( segid " " and resid "3 " and name "HB2 ")) (( segid " " and resid "3 " and name "HN ")) 3.100 1.200 1.200 peak 74 weight 0.10000E+01 volume 0.91380E+05 ppm1 3.920 ppm2 8.674 ASSI { 123} (( segid " " and resid "6 " and name "HB2 ")) (( segid " " and resid "6 " and name "HN ")) 2.800 1.000 1.000 peak 123 weight 0.10000E+01 volume 0.15610E+06 ppm1 2.021 ppm2 8.359 ASSI { 131} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "6 " and name "HN ")) 2.400 0.700 0.700 peak 131 weight 0.10000E+01 volume 0.40800E+06 ppm1 1.869 ppm2 8.359 ASSI { 139} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HN ")) 3.000 1.100 1.100 peak 139 weight 0.10000E+01 volume 0.11550E+06 ppm1 1.586 ppm2 8.359 ASSI { 178} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "7 " and name "HN ")) 2.600 0.800 0.800 peak 178 weight 0.10000E+01 volume 0.29830E+06 ppm1 4.132 ppm2 8.518 ASSI { 184} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "7 " and name "HE22")) 3.400 1.400 1.400 peak 184 weight 0.10000E+01 volume 0.53900E+05 ppm1 4.132 ppm2 6.825 ASSI { 192} (( segid " " and resid "7 " and name "HB3 ")) (( segid " " and resid "7 " and name "HN ")) 6.000 6.000 1.000 peak 192 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.110 ppm2 8.518 ASSI { 198} (( segid " " and resid "7 " and name "HB3 ")) (( segid " " and resid "7 " and name "HE22")) 5.000 3.100 2.000 peak 198 weight 0.10000E+01 volume 0.50920E+04 ppm1 2.110 ppm2 6.825 ASSI { 199} (( segid " " and resid "7 " and name "HG2 ")) (( segid " " and resid "7 " and name "HN ")) 3.000 1.100 1.100 peak 199 weight 0.10000E+01 volume 0.11860E+06 ppm1 2.472 ppm2 8.518 OR { 199} (( segid " " and resid "7 " and name "HG3 ")) (( segid " " and resid "7 " and name "HN ")) ASSI { 204} (( segid " " and resid "7 " and name "HG2 ")) (( segid " " and resid "7 " and name "HE21")) 2.800 1.000 1.000 peak 204 weight 0.10000E+01 volume 0.17770E+06 ppm1 2.472 ppm2 7.514 OR { 204} (( segid " " and resid "7 " and name "HG3 ")) (( segid " " and resid "7 " and name "HE21")) ASSI { 205} (( segid " " and resid "7 " and name "HG2 ")) (( segid " " and resid "7 " and name "HE22")) 3.600 1.600 1.600 peak 205 weight 0.10000E+01 volume 0.39580E+05 ppm1 2.472 ppm2 6.825 OR { 205} (( segid " " and resid "7 " and name "HG3 ")) (( segid " " and resid "7 " and name "HE22")) ASSI { 206} (( segid " " and resid "7 " and name "HE21")) (( segid " " and resid "7 " and name "HN ")) 5.200 3.400 1.800 peak 206 weight 0.10000E+01 volume 0.44330E+04 ppm1 7.514 ppm2 8.518 ASSI { 213} (( segid " " and resid "7 " and name "HE22")) (( segid " " and resid "7 " and name "HN ")) 4.600 2.600 2.400 peak 213 weight 0.10000E+01 volume 0.82990E+04 ppm1 6.825 ppm2 8.518 ASSI { 218} (( segid " " and resid "7 " and name "HE22")) (( segid " " and resid "7 " and name "HE21")) 1.800 0.400 0.400 peak 218 weight 0.10000E+01 volume 0.22950E+07 ppm1 6.825 ppm2 7.514 ASSI { 224} (( segid " " and resid "1 " and name "HA ")) (( segid " " and resid "2 " and name "HN ")) 6.000 6.000 1.000 peak 224 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.149 ppm2 8.834 ASSI { 241} (( segid " " and resid "9 " and name "HA ")) (( segid " " and resid "9 " and name "HN ")) 2.600 0.800 0.800 peak 241 weight 0.10000E+01 volume 0.29670E+06 ppm1 4.198 ppm2 8.246 ASSI { 256} (( segid " " and resid "9 " and name "HG3 ")) (( segid " " and resid "9 " and name "HN ")) 6.000 6.000 1.000 peak 256 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.522 ppm2 8.246 OR { 256} (( segid " " and resid "9 " and name "HG2 ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 268} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "10 " and name "HN ")) 2.500 0.800 0.800 peak 268 weight 0.10000E+01 volume 0.33640E+06 ppm1 3.301 ppm2 7.925 ASSI { 303} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "10 " and name "HN ")) 3.600 1.600 1.600 peak 303 weight 0.10000E+01 volume 0.36680E+05 ppm1 0.263 ppm2 7.925 ASSI { 315} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "11 " and name "HN ")) 2.500 0.800 0.800 peak 315 weight 0.10000E+01 volume 0.32150E+06 ppm1 3.353 ppm2 7.993 ASSI { 325} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "11 " and name "HN ")) 2.200 0.600 0.600 peak 325 weight 0.10000E+01 volume 0.73570E+06 ppm1 1.103 ppm2 7.993 ASSI { 330} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "11 " and name "HN ")) 3.100 1.200 1.200 peak 330 weight 0.10000E+01 volume 0.91970E+05 ppm1 0.864 ppm2 7.993 ASSI { 351} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "12 " and name "HN ")) 2.100 0.600 0.600 peak 351 weight 0.10000E+01 volume 0.93870E+06 ppm1 1.922 ppm2 7.745 OR { 351} (( segid " " and resid "12 " and name "HB2 ")) (( segid " " and resid "12 " and name "HN ")) ASSI { 359} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HN ")) 6.000 6.000 1.000 peak 359 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.538 ppm2 7.745 ASSI { 375} (( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "12 " and name "HN ")) 3.400 1.400 1.400 peak 375 weight 0.10000E+01 volume 0.58180E+05 ppm1 1.737 ppm2 7.745 ASSI { 383} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "12 " and name "HN ")) 2.900 1.100 1.100 peak 383 weight 0.10000E+01 volume 0.15050E+06 ppm1 1.604 ppm2 7.745 ASSI { 402} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "13 " and name "HN ")) 2.400 0.700 0.700 peak 402 weight 0.10000E+01 volume 0.42960E+06 ppm1 4.200 ppm2 8.167 ASSI { 405} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "13 " and name "HN ")) 2.100 0.600 0.600 peak 405 weight 0.10000E+01 volume 0.85400E+06 ppm1 1.507 ppm2 8.167 ASSI { 415} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "14 " and name "HN ")) 2.500 0.800 0.800 peak 415 weight 0.10000E+01 volume 0.36950E+06 ppm1 3.855 ppm2 8.841 ASSI { 419} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.700 0.900 0.900 peak 419 weight 0.10000E+01 volume 0.22000E+06 ppm1 3.855 ppm2 6.793 ASSI { 426} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.400 0.700 0.700 peak 426 weight 0.10000E+01 volume 0.39920E+06 ppm1 3.155 ppm2 6.793 ASSI { 429} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "14 " and name "HN ")) 2.200 0.600 0.600 peak 429 weight 0.10000E+01 volume 0.64440E+06 ppm1 2.878 ppm2 8.841 ASSI { 433} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.500 0.800 0.800 peak 433 weight 0.10000E+01 volume 0.34160E+06 ppm1 2.878 ppm2 6.793 ASSI { 434} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.800 1.000 1.000 peak 434 weight 0.10000E+01 volume 0.17490E+06 ppm1 2.878 ppm2 7.017 ASSI { 436} (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) (( segid " " and resid "14 " and name "HN ")) 3.400 1.400 1.400 peak 436 weight 0.10000E+01 volume 0.51050E+05 ppm1 6.793 ppm2 8.841 ASSI { 442} (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) (( segid " " and resid "14 " and name "HZ ")) 6.000 6.000 1.000 peak 442 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.793 ppm2 6.962 ASSI { 455} (( segid " " and resid "14 " and name "HZ ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 6.000 6.000 1.000 peak 455 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.962 ppm2 7.017 ASSI { 465} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "15 " and name "HN ")) 2.600 0.800 0.800 peak 465 weight 0.10000E+01 volume 0.29980E+06 ppm1 3.438 ppm2 8.554 ASSI { 489} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "15 " and name "HN ")) 3.400 1.400 1.400 peak 489 weight 0.10000E+01 volume 0.53610E+05 ppm1 0.928 ppm2 8.554 ASSI { 497} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "15 " and name "HN ")) 2.300 0.700 0.700 peak 497 weight 0.10000E+01 volume 0.51760E+06 ppm1 1.549 ppm2 8.554 OR { 497} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "15 " and name "HN ")) ASSI { 513} (( segid " " and resid "15 " and name "HE3 ")) (( segid " " and resid "15 " and name "HN ")) 3.800 1.800 1.800 peak 513 weight 0.10000E+01 volume 0.27230E+05 ppm1 2.423 ppm2 8.554 ASSI { 527} (( segid " " and resid "16 " and name "HB2 ") OR ( segid " " and resid "16 " and name "HB3 ") OR ( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "16 " and name "HN ")) 6.000 6.000 1.000 peak 527 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.531 ppm2 7.775 ASSI { 537} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "17 " and name "HN ")) 2.600 0.800 0.800 peak 537 weight 0.10000E+01 volume 0.27880E+06 ppm1 4.276 ppm2 7.673 ASSI { 551} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "17 " and name "HN ")) 2.900 1.100 1.100 peak 551 weight 0.10000E+01 volume 0.13260E+06 ppm1 1.201 ppm2 7.673 ASSI { 558} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "17 " and name "HN ")) 2.200 0.600 0.600 peak 558 weight 0.10000E+01 volume 0.66340E+06 ppm1 2.034 ppm2 7.673 ASSI { 586} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 2.700 0.900 0.900 peak 586 weight 0.10000E+01 volume 0.20890E+06 ppm1 3.994 ppm2 7.529 ASSI { 607} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "18 " and name "HN ")) 2.300 0.700 0.700 peak 607 weight 0.10000E+01 volume 0.49970E+06 ppm1 1.285 ppm2 7.529 ASSI { 614} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "18 " and name "HN ")) 6.000 6.000 1.000 peak 614 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 7.529 ASSI { 636} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "19 " and name "HN ")) 2.500 0.800 0.800 peak 636 weight 0.10000E+01 volume 0.38390E+06 ppm1 4.277 ppm2 8.222 ASSI { 652} (( segid " " and resid "19 " and name "HB3 ")) (( segid " " and resid "19 " and name "HN ")) 2.200 0.600 0.600 peak 652 weight 0.10000E+01 volume 0.67090E+06 ppm1 1.936 ppm2 8.222 ASSI { 697} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "20 " and name "HN ")) 2.500 0.800 0.800 peak 697 weight 0.10000E+01 volume 0.31990E+06 ppm1 4.090 ppm2 7.422 ASSI { 702} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HN ")) 6.000 6.000 1.000 peak 702 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.354 ppm2 7.422 ASSI { 712} (( segid " " and resid "20 " and name "HG2 ")) (( segid " " and resid "20 " and name "HN ")) 2.500 0.800 0.800 peak 712 weight 0.10000E+01 volume 0.35120E+06 ppm1 2.812 ppm2 7.422 OR { 712} (( segid " " and resid "20 " and name "HG3 ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 747} (( segid " " and resid "21 " and name "HG3 ")) (( segid " " and resid "21 " and name "HN ")) 6.000 6.000 1.000 peak 747 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.322 ppm2 7.920 ASSI { 761} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "22 " and name "HN ")) 2.700 0.900 0.900 peak 761 weight 0.10000E+01 volume 0.21110E+06 ppm1 4.519 ppm2 7.924 ASSI { 831} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "23 " and name "HN ")) 2.500 0.800 0.800 peak 831 weight 0.10000E+01 volume 0.30560E+06 ppm1 3.054 ppm2 8.320 ASSI { 838} (( segid " " and resid "23 " and name "HB3 ")) (( segid " " and resid "23 " and name "HN ")) 3.900 1.900 1.900 peak 838 weight 0.10000E+01 volume 0.25320E+05 ppm1 2.386 ppm2 8.320 ASSI { 845} (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) (( segid " " and resid "23 " and name "HN ")) 2.700 0.900 0.900 peak 845 weight 0.10000E+01 volume 0.23900E+06 ppm1 7.275 ppm2 8.320 ASSI { 851} (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) (( segid " " and resid "23 " and name "HZ ")) 6.000 6.000 1.000 peak 851 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.275 ppm2 7.357 ASSI { 864} (( segid " " and resid "23 " and name "HZ ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 6.000 6.000 1.000 peak 864 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.357 ppm2 7.422 ASSI { 870} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "24 " and name "HN ")) 6.000 6.000 1.000 peak 870 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.794 ppm2 9.548 ASSI { 874} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "24 " and name "HN ")) 3.000 1.100 1.100 peak 874 weight 0.10000E+01 volume 0.10720E+06 ppm1 4.071 ppm2 9.548 ASSI { 878} (( segid " " and resid "24 " and name "HB3 ")) (( segid " " and resid "24 " and name "HN ")) 3.000 1.100 1.100 peak 878 weight 0.10000E+01 volume 0.11090E+06 ppm1 3.941 ppm2 9.548 ASSI { 886} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "25 " and name "HN ")) 2.900 1.100 1.100 peak 886 weight 0.10000E+01 volume 0.15450E+06 ppm1 5.287 ppm2 7.993 ASSI { 894} (( segid " " and resid "25 " and name "HB3 ")) (( segid " " and resid "25 " and name "HN ")) 6.000 6.000 1.000 peak 894 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.986 ppm2 7.993 ASSI { 913} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "26 " and name "HN ")) 2.900 1.100 1.100 peak 913 weight 0.10000E+01 volume 0.12930E+06 ppm1 1.933 ppm2 9.628 ASSI { 918} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "26 " and name "HN ")) 2.700 0.900 0.900 peak 918 weight 0.10000E+01 volume 0.21830E+06 ppm1 3.802 ppm2 9.628 ASSI { 926} (( segid " " and resid "27 " and name "HA1 ")) (( segid " " and resid "27 " and name "HN ")) 2.100 0.600 0.600 peak 926 weight 0.10000E+01 volume 0.84440E+06 ppm1 4.056 ppm2 9.068 ASSI { 929} (( segid " " and resid "27 " and name "HA2 ")) (( segid " " and resid "27 " and name "HN ")) 2.400 0.700 0.700 peak 929 weight 0.10000E+01 volume 0.39730E+06 ppm1 3.714 ppm2 9.068 ASSI { 947} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "28 " and name "HN ")) 2.700 0.900 0.900 peak 947 weight 0.10000E+01 volume 0.21980E+06 ppm1 2.406 ppm2 7.779 ASSI { 969} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HN ")) 6.000 6.000 1.000 peak 969 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.959 ppm2 7.260 ASSI { 975} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "29 " and name "HN ")) 2.600 0.800 0.800 peak 975 weight 0.10000E+01 volume 0.25990E+06 ppm1 0.519 ppm2 7.260 ASSI { 1003} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "30 " and name "HN ")) 2.200 0.600 0.600 peak 1003 weight 0.10000E+01 volume 0.78060E+06 ppm1 2.221 ppm2 8.132 ASSI { 1008} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "30 " and name "HN ")) 2.200 0.600 0.600 peak 1008 weight 0.10000E+01 volume 0.70060E+06 ppm1 0.846 ppm2 8.132 ASSI { 1024} (( segid " " and resid "31 " and name "HB2 ") OR ( segid " " and resid "31 " and name "HB3 ") OR ( segid " " and resid "31 " and name "HB1 ")) (( segid " " and resid "31 " and name "HN ")) 2.100 0.600 0.600 peak 1024 weight 0.10000E+01 volume 0.97920E+06 ppm1 1.496 ppm2 7.679 ASSI { 1050} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "33 " and name "HN ")) 2.900 1.100 1.100 peak 1050 weight 0.10000E+01 volume 0.13880E+06 ppm1 0.580 ppm2 8.135 ASSI { 1057} (( segid " " and resid "33 " and name "HG ")) (( segid " " and resid "33 " and name "HN ")) 2.300 0.700 0.700 peak 1057 weight 0.10000E+01 volume 0.59610E+06 ppm1 1.751 ppm2 8.135 ASSI { 1071} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "33 " and name "HN ")) 2.300 0.700 0.700 peak 1071 weight 0.10000E+01 volume 0.50910E+06 ppm1 2.023 ppm2 8.135 ASSI { 1078} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "33 " and name "HN ")) 2.800 1.000 1.000 peak 1078 weight 0.10000E+01 volume 0.18210E+06 ppm1 1.269 ppm2 8.135 ASSI { 1099} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "34 " and name "HE21")) 4.200 2.200 2.200 peak 1099 weight 0.10000E+01 volume 0.16260E+05 ppm1 4.141 ppm2 7.202 ASSI { 1100} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "34 " and name "HE22")) 3.000 1.100 1.100 peak 1100 weight 0.10000E+01 volume 0.11960E+06 ppm1 4.141 ppm2 6.731 ASSI { 1101} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "34 " and name "HN ")) 2.300 0.700 0.700 peak 1101 weight 0.10000E+01 volume 0.53010E+06 ppm1 2.331 ppm2 8.716 ASSI { 1107} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "34 " and name "HE21")) 4.000 2.000 2.000 peak 1107 weight 0.10000E+01 volume 0.20750E+05 ppm1 2.331 ppm2 7.202 ASSI { 1116} (( segid " " and resid "34 " and name "HB3 ")) (( segid " " and resid "34 " and name "HE22")) 5.400 3.600 1.600 peak 1116 weight 0.10000E+01 volume 0.32180E+04 ppm1 2.041 ppm2 6.731 ASSI { 1117} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "34 " and name "HN ")) 2.300 0.700 0.700 peak 1117 weight 0.10000E+01 volume 0.49960E+06 ppm1 2.611 ppm2 8.716 ASSI { 1123} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "34 " and name "HE21")) 2.800 1.000 1.000 peak 1123 weight 0.10000E+01 volume 0.17240E+06 ppm1 2.611 ppm2 7.202 ASSI { 1124} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "34 " and name "HE22")) 3.400 1.400 1.400 peak 1124 weight 0.10000E+01 volume 0.55770E+05 ppm1 2.611 ppm2 6.731 ASSI { 1131} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "34 " and name "HE21")) 2.500 0.800 0.800 peak 1131 weight 0.10000E+01 volume 0.32260E+06 ppm1 2.495 ppm2 7.202 ASSI { 1132} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "34 " and name "HE22")) 3.200 1.300 1.300 peak 1132 weight 0.10000E+01 volume 0.81240E+05 ppm1 2.495 ppm2 6.731 ASSI { 1133} (( segid " " and resid "34 " and name "HE21")) (( segid " " and resid "34 " and name "HN ")) 4.800 2.900 2.200 peak 1133 weight 0.10000E+01 volume 0.67550E+04 ppm1 7.202 ppm2 8.716 ASSI { 1147} (( segid " " and resid "34 " and name "HE22")) (( segid " " and resid "34 " and name "HE21")) 1.700 0.400 0.500 peak 1147 weight 0.10000E+01 volume 0.29760E+07 ppm1 6.731 ppm2 7.202 ASSI { 1173} (( segid " " and resid "35 " and name "HG2 ")) (( segid " " and resid "35 " and name "HN ")) 2.900 1.100 1.100 peak 1173 weight 0.10000E+01 volume 0.15280E+06 ppm1 2.494 ppm2 8.332 ASSI { 1179} (( segid " " and resid "35 " and name "HG3 ")) (( segid " " and resid "35 " and name "HN ")) 3.300 1.400 1.400 peak 1179 weight 0.10000E+01 volume 0.69410E+05 ppm1 2.431 ppm2 8.332 ASSI { 1190} (( segid " " and resid "36 " and name "HA ")) (( segid " " and resid "36 " and name "HN ")) 2.500 0.800 0.800 peak 1190 weight 0.10000E+01 volume 0.30440E+06 ppm1 4.283 ppm2 7.384 ASSI { 1205} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "36 " and name "HN ")) 2.500 0.800 0.800 peak 1205 weight 0.10000E+01 volume 0.31920E+06 ppm1 2.800 ppm2 7.384 ASSI { 1216} (( segid " " and resid "37 " and name "HA2 ")) (( segid " " and resid "37 " and name "HN ")) 2.200 0.600 0.600 peak 1216 weight 0.10000E+01 volume 0.76240E+06 ppm1 3.631 ppm2 7.737 ASSI { 1226} (( segid " " and resid "38 " and name "HA ")) (( segid " " and resid "38 " and name "HN ")) 2.600 0.800 0.800 peak 1226 weight 0.10000E+01 volume 0.24460E+06 ppm1 4.545 ppm2 7.639 ASSI { 1230} (( segid " " and resid "38 " and name "HA ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.300 0.700 0.700 peak 1230 weight 0.10000E+01 volume 0.52780E+06 ppm1 4.545 ppm2 7.456 ASSI { 1231} (( segid " " and resid "38 " and name "HA ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 3.900 1.900 1.900 peak 1231 weight 0.10000E+01 volume 0.24840E+05 ppm1 4.545 ppm2 7.255 ASSI { 1233} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "38 " and name "HN ")) 2.900 1.100 1.100 peak 1233 weight 0.10000E+01 volume 0.13790E+06 ppm1 3.007 ppm2 7.639 ASSI { 1237} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.200 0.600 0.600 peak 1237 weight 0.10000E+01 volume 0.67110E+06 ppm1 3.007 ppm2 7.456 ASSI { 1240} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "38 " and name "HN ")) 2.400 0.700 0.700 peak 1240 weight 0.10000E+01 volume 0.41280E+06 ppm1 2.581 ppm2 7.639 ASSI { 1244} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.200 0.600 0.600 peak 1244 weight 0.10000E+01 volume 0.67630E+06 ppm1 2.581 ppm2 7.456 ASSI { 1247} (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) (( segid " " and resid "38 " and name "HN ")) 2.200 0.600 0.600 peak 1247 weight 0.10000E+01 volume 0.75400E+06 ppm1 7.456 ppm2 7.639 ASSI { 1254} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "38 " and name "HN ")) 3.700 1.700 1.700 peak 1254 weight 0.10000E+01 volume 0.31680E+05 ppm1 7.255 ppm2 7.639 ASSI { 1258} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 1.900 0.500 0.500 peak 1258 weight 0.10000E+01 volume 0.19030E+07 ppm1 7.255 ppm2 7.456 ASSI { 1265} (( segid " " and resid "38 " and name "HZ ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.900 1.100 1.100 peak 1265 weight 0.10000E+01 volume 0.15430E+06 ppm1 7.069 ppm2 7.456 ASSI { 1272} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "39 " and name "HN ")) 2.500 0.800 0.800 peak 1272 weight 0.10000E+01 volume 0.31720E+06 ppm1 4.606 ppm2 8.299 ASSI { 1280} (( segid " " and resid "39 " and name "HB3 ")) (( segid " " and resid "39 " and name "HN ")) 6.000 6.000 1.000 peak 1280 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.647 ppm2 8.299 ASSI { 1290} (( segid " " and resid "40 " and name "HA ")) (( segid " " and resid "40 " and name "HN ")) 2.200 0.600 0.600 peak 1290 weight 0.10000E+01 volume 0.67580E+06 ppm1 4.550 ppm2 8.778 ASSI { 1294} (( segid " " and resid "40 " and name "HA ")) (( segid " " and resid "40 " and name "HD21")) 3.400 1.400 1.400 peak 1294 weight 0.10000E+01 volume 0.57570E+05 ppm1 4.550 ppm2 7.670 ASSI { 1295} (( segid " " and resid "40 " and name "HA ")) (( segid " " and resid "40 " and name "HD22")) 4.200 2.200 2.200 peak 1295 weight 0.10000E+01 volume 0.14730E+05 ppm1 4.550 ppm2 6.860 ASSI { 1296} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HN ")) 2.900 1.100 1.100 peak 1296 weight 0.10000E+01 volume 0.15090E+06 ppm1 2.868 ppm2 8.778 ASSI { 1300} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HD21")) 3.100 1.200 1.200 peak 1300 weight 0.10000E+01 volume 0.10000E+06 ppm1 2.868 ppm2 7.670 ASSI { 1301} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HD22")) 3.600 1.600 1.600 peak 1301 weight 0.10000E+01 volume 0.37200E+05 ppm1 2.868 ppm2 6.860 ASSI { 1306} (( segid " " and resid "40 " and name "HB3 ")) (( segid " " and resid "40 " and name "HD21")) 2.800 1.000 1.000 peak 1306 weight 0.10000E+01 volume 0.18490E+06 ppm1 2.820 ppm2 7.670 ASSI { 1307} (( segid " " and resid "40 " and name "HB3 ")) (( segid " " and resid "40 " and name "HD22")) 3.200 1.300 1.300 peak 1307 weight 0.10000E+01 volume 0.79320E+05 ppm1 2.820 ppm2 6.860 ASSI { 1308} (( segid " " and resid "40 " and name "HD21")) (( segid " " and resid "40 " and name "HN ")) 3.900 1.900 1.900 peak 1308 weight 0.10000E+01 volume 0.25170E+05 ppm1 7.670 ppm2 8.778 ASSI { 1318} (( segid " " and resid "40 " and name "HD22")) (( segid " " and resid "40 " and name "HD21")) 1.800 0.400 0.400 peak 1318 weight 0.10000E+01 volume 0.23920E+07 ppm1 6.860 ppm2 7.670 ASSI { 1327} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "41 " and name "HN ")) 2.600 0.800 0.800 peak 1327 weight 0.10000E+01 volume 0.25210E+06 ppm1 4.143 ppm2 8.108 ASSI { 1341} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "41 " and name "HN ")) 6.000 6.000 1.000 peak 1341 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.926 ppm2 8.108 ASSI { 1355} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "41 " and name "HN ")) 3.400 1.400 1.400 peak 1355 weight 0.10000E+01 volume 0.56260E+05 ppm1 1.164 ppm2 8.108 ASSI { 1362} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "41 " and name "HN ")) 3.300 1.400 1.400 peak 1362 weight 0.10000E+01 volume 0.65200E+05 ppm1 0.725 ppm2 8.108 ASSI { 1373} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HD21")) 3.800 1.800 1.800 peak 1373 weight 0.10000E+01 volume 0.26310E+05 ppm1 6.765 ppm2 7.615 ASSI { 1374} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HD22")) 6.000 6.000 1.000 peak 1374 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.765 ppm2 6.936 ASSI { 1379} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "42 " and name "HD21")) 3.400 1.400 1.400 peak 1379 weight 0.10000E+01 volume 0.49920E+05 ppm1 4.723 ppm2 7.615 ASSI { 1381} (( segid " " and resid "42 " and name "HB2 ")) (( segid " " and resid "42 " and name "HN ")) 3.600 1.600 1.600 peak 1381 weight 0.10000E+01 volume 0.36490E+05 ppm1 3.219 ppm2 6.765 ASSI { 1385} (( segid " " and resid "42 " and name "HB2 ")) (( segid " " and resid "42 " and name "HD21")) 2.900 1.100 1.100 peak 1385 weight 0.10000E+01 volume 0.12990E+06 ppm1 3.219 ppm2 7.615 ASSI { 1386} (( segid " " and resid "42 " and name "HB2 ")) (( segid " " and resid "42 " and name "HD22")) 3.600 1.600 1.600 peak 1386 weight 0.10000E+01 volume 0.38900E+05 ppm1 3.219 ppm2 6.936 ASSI { 1387} (( segid " " and resid "42 " and name "HB3 ")) (( segid " " and resid "42 " and name "HN ")) 3.200 1.300 1.300 peak 1387 weight 0.10000E+01 volume 0.81780E+05 ppm1 3.020 ppm2 6.765 ASSI { 1391} (( segid " " and resid "42 " and name "HB3 ")) (( segid " " and resid "42 " and name "HD21")) 2.600 0.800 0.800 peak 1391 weight 0.10000E+01 volume 0.28910E+06 ppm1 3.020 ppm2 7.615 ASSI { 1392} (( segid " " and resid "42 " and name "HB3 ")) (( segid " " and resid "42 " and name "HD22")) 3.100 1.200 1.200 peak 1392 weight 0.10000E+01 volume 0.85170E+05 ppm1 3.020 ppm2 6.936 ASSI { 1403} (( segid " " and resid "42 " and name "HD22")) (( segid " " and resid "42 " and name "HD21")) 6.000 6.000 1.000 peak 1403 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.936 ppm2 7.615 ASSI { 1411} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "43 " and name "HN ")) 2.600 0.800 0.800 peak 1411 weight 0.10000E+01 volume 0.28540E+06 ppm1 3.606 ppm2 9.105 ASSI { 1417} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "43 " and name "HN ")) 2.600 0.800 0.800 peak 1417 weight 0.10000E+01 volume 0.24500E+06 ppm1 2.154 ppm2 9.105 ASSI { 1423} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "43 " and name "HN ")) 2.300 0.700 0.700 peak 1423 weight 0.10000E+01 volume 0.49730E+06 ppm1 2.080 ppm2 9.105 ASSI { 1429} (( segid " " and resid "43 " and name "HG2 ")) (( segid " " and resid "43 " and name "HN ")) 3.300 1.400 1.400 peak 1429 weight 0.10000E+01 volume 0.70400E+05 ppm1 2.417 ppm2 9.105 ASSI { 1449} (( segid " " and resid "44 " and name "HB2 ")) (( segid " " and resid "44 " and name "HN ")) 2.600 0.800 0.800 peak 1449 weight 0.10000E+01 volume 0.26810E+06 ppm1 3.921 ppm2 8.389 ASSI { 1453} (( segid " " and resid "44 " and name "HB3 ")) (( segid " " and resid "44 " and name "HN ")) 2.500 0.800 0.800 peak 1453 weight 0.10000E+01 volume 0.30580E+06 ppm1 3.871 ppm2 8.389 ASSI { 1473} (( segid " " and resid "45 " and name "HB3 ")) (( segid " " and resid "45 " and name "HN ")) 6.000 6.000 1.000 peak 1473 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.829 ppm2 8.213 OR { 1473} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "45 " and name "HN ")) ASSI { 1481} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "45 " and name "HN ")) 6.000 6.000 1.000 peak 1481 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.591 ppm2 8.213 ASSI { 1489} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "45 " and name "HN ")) 3.800 1.800 1.800 peak 1489 weight 0.10000E+01 volume 0.26420E+05 ppm1 1.405 ppm2 8.213 ASSI { 1526} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "46 " and name "HN ")) 2.600 0.800 0.800 peak 1526 weight 0.10000E+01 volume 0.27860E+06 ppm1 3.429 ppm2 7.848 ASSI { 1531} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "46 " and name "HN ")) 2.100 0.600 0.600 peak 1531 weight 0.10000E+01 volume 0.91250E+06 ppm1 2.068 ppm2 7.848 ASSI { 1541} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "46 " and name "HN ")) 2.300 0.700 0.700 peak 1541 weight 0.10000E+01 volume 0.52160E+06 ppm1 0.903 ppm2 7.848 ASSI { 1549} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "47 " and name "HN ")) 6.000 6.000 1.000 peak 1549 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.823 ppm2 8.858 ASSI { 1599} (( segid " " and resid "48 " and name "HG2 ")) (( segid " " and resid "48 " and name "HE ")) 4.800 2.900 2.200 peak 1599 weight 0.10000E+01 volume 0.69240E+04 ppm1 1.794 ppm2 7.188 ASSI { 1600} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HN ")) 3.500 1.500 1.500 peak 1600 weight 0.10000E+01 volume 0.48110E+05 ppm1 1.658 ppm2 7.657 ASSI { 1608} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HE ")) 5.200 3.400 1.800 peak 1608 weight 0.10000E+01 volume 0.43830E+04 ppm1 1.658 ppm2 7.188 ASSI { 1609} (( segid " " and resid "48 " and name "HD2 ")) (( segid " " and resid "48 " and name "HN ")) 3.900 1.900 1.900 peak 1609 weight 0.10000E+01 volume 0.22060E+05 ppm1 3.203 ppm2 7.657 ASSI { 1617} (( segid " " and resid "48 " and name "HD2 ")) (( segid " " and resid "48 " and name "HE ")) 3.300 1.400 1.400 peak 1617 weight 0.10000E+01 volume 0.61810E+05 ppm1 3.203 ppm2 7.188 ASSI { 1626} (( segid " " and resid "48 " and name "HD3 ")) (( segid " " and resid "48 " and name "HE ")) 3.300 1.400 1.400 peak 1626 weight 0.10000E+01 volume 0.64540E+05 ppm1 3.168 ppm2 7.188 ASSI { 1642} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "49 " and name "HN ")) 2.600 0.800 0.800 peak 1642 weight 0.10000E+01 volume 0.25360E+06 ppm1 3.799 ppm2 7.933 ASSI { 1648} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "49 " and name "HN ")) 2.500 0.800 0.800 peak 1648 weight 0.10000E+01 volume 0.33590E+06 ppm1 1.475 ppm2 7.933 ASSI { 1654} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "49 " and name "HN ")) 3.000 1.100 1.100 peak 1654 weight 0.10000E+01 volume 0.12590E+06 ppm1 1.057 ppm2 7.933 ASSI { 1660} (( segid " " and resid "49 " and name "HG2 ")) (( segid " " and resid "49 " and name "HN ")) 2.400 0.700 0.700 peak 1660 weight 0.10000E+01 volume 0.46520E+06 ppm1 2.560 ppm2 7.933 ASSI { 1678} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) 2.600 0.800 0.800 peak 1678 weight 0.10000E+01 volume 0.28680E+06 ppm1 4.025 ppm2 8.704 ASSI { 1690} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "50 " and name "HN ")) 2.700 0.900 0.900 peak 1690 weight 0.10000E+01 volume 0.19570E+06 ppm1 1.421 ppm2 8.704 ASSI { 1702} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "50 " and name "HN ")) 2.600 0.800 0.800 peak 1702 weight 0.10000E+01 volume 0.24390E+06 ppm1 0.460 ppm2 8.704 OR { 1702} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "50 " and name "HN ")) ASSI { 1764} (( segid " " and resid "52 " and name "HG2 ")) (( segid " " and resid "52 " and name "HN ")) 3.600 1.600 1.600 peak 1764 weight 0.10000E+01 volume 0.36530E+05 ppm1 1.010 ppm2 8.348 ASSI { 1774} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "52 " and name "HN ")) 4.300 2.300 2.300 peak 1774 weight 0.10000E+01 volume 0.12560E+05 ppm1 0.707 ppm2 8.348 ASSI { 1794} (( segid " " and resid "51 " and name "HG21") OR ( segid " " and resid "51 " and name "HG23") OR ( segid " " and resid "51 " and name "HG22")) (( segid " " and resid "52 " and name "HN ")) 3.200 1.300 1.300 peak 1794 weight 0.10000E+01 volume 0.79040E+05 ppm1 1.255 ppm2 8.348 ASSI { 1831} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) 2.700 0.900 0.900 peak 1831 weight 0.10000E+01 volume 0.23590E+06 ppm1 4.573 ppm2 8.039 ASSI { 1835} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 2.500 0.800 0.800 peak 1835 weight 0.10000E+01 volume 0.32810E+06 ppm1 4.573 ppm2 7.516 ASSI { 1838} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "53 " and name "HN ")) 2.700 0.900 0.900 peak 1838 weight 0.10000E+01 volume 0.20340E+06 ppm1 3.474 ppm2 8.039 ASSI { 1842} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 2.800 1.000 1.000 peak 1842 weight 0.10000E+01 volume 0.16240E+06 ppm1 3.474 ppm2 7.516 ASSI { 1843} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 4.500 2.500 2.500 peak 1843 weight 0.10000E+01 volume 0.10290E+05 ppm1 3.474 ppm2 7.228 ASSI { 1845} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "53 " and name "HN ")) 2.300 0.700 0.700 peak 1845 weight 0.10000E+01 volume 0.57270E+06 ppm1 2.880 ppm2 8.039 ASSI { 1849} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 2.600 0.800 0.800 peak 1849 weight 0.10000E+01 volume 0.30090E+06 ppm1 2.880 ppm2 7.516 ASSI { 1852} (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) (( segid " " and resid "53 " and name "HN ")) 3.000 1.100 1.100 peak 1852 weight 0.10000E+01 volume 0.11980E+06 ppm1 7.516 ppm2 8.039 ASSI { 1870} (( segid " " and resid "53 " and name "HZ ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 6.000 6.000 1.000 peak 1870 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.345 ppm2 7.516 ASSI { 1911} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "56 " and name "HN ")) 2.400 0.700 0.700 peak 1911 weight 0.10000E+01 volume 0.47200E+06 ppm1 0.766 ppm2 8.552 ASSI { 1925} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "57 " and name "HN ")) 2.900 1.100 1.100 peak 1925 weight 0.10000E+01 volume 0.13490E+06 ppm1 5.089 ppm2 8.323 ASSI { 1934} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HN ")) 6.000 6.000 1.000 peak 1934 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.378 ppm2 8.323 ASSI { 1942} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HE ")) 3.800 1.800 1.800 peak 1942 weight 0.10000E+01 volume 0.29760E+05 ppm1 1.378 ppm2 6.884 ASSI { 1943} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "57 " and name "HN ")) 6.000 6.000 1.000 peak 1943 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.341 ppm2 8.323 ASSI { 1951} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "57 " and name "HE ")) 3.200 1.300 1.300 peak 1951 weight 0.10000E+01 volume 0.76310E+05 ppm1 1.341 ppm2 6.884 ASSI { 1960} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "57 " and name "HE ")) 3.300 1.400 1.400 peak 1960 weight 0.10000E+01 volume 0.59240E+05 ppm1 1.055 ppm2 6.884 ASSI { 1961} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HN ")) 6.000 6.000 1.000 peak 1961 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.717 ppm2 8.323 ASSI { 1969} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HE ")) 3.500 1.500 1.500 peak 1969 weight 0.10000E+01 volume 0.45450E+05 ppm1 0.717 ppm2 6.884 ASSI { 1978} (( segid " " and resid "57 " and name "HD2 ")) (( segid " " and resid "57 " and name "HE ")) 3.100 1.200 1.200 peak 1978 weight 0.10000E+01 volume 0.10160E+06 ppm1 2.799 ppm2 6.884 ASSI { 1987} (( segid " " and resid "57 " and name "HD3 ")) (( segid " " and resid "57 " and name "HE ")) 2.800 1.000 1.000 peak 1987 weight 0.10000E+01 volume 0.16670E+06 ppm1 2.686 ppm2 6.884 ASSI { 2001} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "58 " and name "HN ")) 2.700 0.900 0.900 peak 2001 weight 0.10000E+01 volume 0.20430E+06 ppm1 4.498 ppm2 8.923 ASSI { 2005} (( segid " " and resid "58 " and name "HB ")) (( segid " " and resid "58 " and name "HN ")) 3.200 1.300 1.300 peak 2005 weight 0.10000E+01 volume 0.78290E+05 ppm1 3.954 ppm2 8.923 ASSI { 2009} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "58 " and name "HN ")) 2.700 0.900 0.900 peak 2009 weight 0.10000E+01 volume 0.21750E+06 ppm1 1.013 ppm2 8.923 ASSI { 2033} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "59 " and name "HE ")) 4.000 2.000 2.000 peak 2033 weight 0.10000E+01 volume 0.19880E+05 ppm1 1.710 ppm2 7.261 ASSI { 2034} (( segid " " and resid "59 " and name "HB3 ")) (( segid " " and resid "59 " and name "HN ")) 6.000 6.000 1.000 peak 2034 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.760 ppm2 7.986 ASSI { 2040} (( segid " " and resid "59 " and name "HB3 ")) (( segid " " and resid "59 " and name "HE ")) 4.000 2.000 2.000 peak 2040 weight 0.10000E+01 volume 0.19700E+05 ppm1 1.760 ppm2 7.261 ASSI { 2041} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "59 " and name "HN ")) 2.800 1.000 1.000 peak 2041 weight 0.10000E+01 volume 0.16440E+06 ppm1 1.586 ppm2 7.986 OR { 2041} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "59 " and name "HN ")) ASSI { 2047} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "59 " and name "HE ")) 3.000 1.100 1.100 peak 2047 weight 0.10000E+01 volume 0.12590E+06 ppm1 1.586 ppm2 7.261 OR { 2047} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "59 " and name "HE ")) ASSI { 2066} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "60 " and name "HN ")) 3.500 1.500 1.500 peak 2066 weight 0.10000E+01 volume 0.49250E+05 ppm1 4.849 ppm2 8.733 ASSI { 2070} (( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "60 " and name "HN ")) 3.600 1.600 1.600 peak 2070 weight 0.10000E+01 volume 0.35730E+05 ppm1 3.716 ppm2 8.733 ASSI { 2074} (( segid " " and resid "60 " and name "HB3 ")) (( segid " " and resid "60 " and name "HN ")) 2.800 1.000 1.000 peak 2074 weight 0.10000E+01 volume 0.17470E+06 ppm1 2.805 ppm2 8.733 ASSI { 2081} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "61 " and name "HN ")) 2.600 0.800 0.800 peak 2081 weight 0.10000E+01 volume 0.28150E+06 ppm1 4.169 ppm2 8.483 ASSI { 2084} (( segid " " and resid "61 " and name "HB2 ") OR ( segid " " and resid "61 " and name "HB3 ") OR ( segid " " and resid "61 " and name "HB1 ")) (( segid " " and resid "61 " and name "HN ")) 2.200 0.600 0.600 peak 2084 weight 0.10000E+01 volume 0.77840E+06 ppm1 1.479 ppm2 8.483 ASSI { 2094} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "62 " and name "HN ")) 2.500 0.800 0.800 peak 2094 weight 0.10000E+01 volume 0.30750E+06 ppm1 4.332 ppm2 7.420 ASSI { 2108} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "62 " and name "HN ")) 2.400 0.700 0.700 peak 2108 weight 0.10000E+01 volume 0.46230E+06 ppm1 1.649 ppm2 7.420 ASSI { 2142} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "63 " and name "HN ")) 2.100 0.600 0.600 peak 2142 weight 0.10000E+01 volume 0.91140E+06 ppm1 3.964 ppm2 8.252 ASSI { 2148} (( segid " " and resid "9 " and name "HG3 ")) (( segid " " and resid "9 " and name "HN ")) 6.000 6.000 1.000 peak 2148 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.513 ppm2 8.252 OR { 2148} (( segid " " and resid "9 " and name "HG2 ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 2154} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "63 " and name "HN ")) 3.200 1.300 1.300 peak 2154 weight 0.10000E+01 volume 0.71360E+05 ppm1 2.233 ppm2 8.252 ASSI { 2160} (( segid " " and resid "63 " and name "HG2 ")) (( segid " " and resid "63 " and name "HN ")) 3.200 1.300 1.300 peak 2160 weight 0.10000E+01 volume 0.72230E+05 ppm1 2.686 ppm2 8.252 ASSI { 2196} (( segid " " and resid "64 " and name "HG2 ")) (( segid " " and resid "64 " and name "HN ")) 6.000 6.000 1.000 peak 2196 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.162 ppm2 8.010 ASSI { 2232} (( segid " " and resid "65 " and name "HG2 ")) (( segid " " and resid "65 " and name "HN ")) 2.800 1.000 1.000 peak 2232 weight 0.10000E+01 volume 0.17810E+06 ppm1 2.410 ppm2 8.531 ASSI { 2259} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "66 " and name "HN ")) 2.300 0.700 0.700 peak 2259 weight 0.10000E+01 volume 0.51710E+06 ppm1 0.646 ppm2 8.777 ASSI { 2264} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "66 " and name "HN ")) 2.800 1.000 1.000 peak 2264 weight 0.10000E+01 volume 0.16750E+06 ppm1 0.476 ppm2 8.777 ASSI { 2275} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) 3.000 1.100 1.100 peak 2275 weight 0.10000E+01 volume 0.11310E+06 ppm1 4.962 ppm2 8.473 ASSI { 2281} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "67 " and name "HN ")) 2.700 0.900 0.900 peak 2281 weight 0.10000E+01 volume 0.20530E+06 ppm1 2.687 ppm2 8.473 ASSI { 2285} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 2.200 0.600 0.600 peak 2285 weight 0.10000E+01 volume 0.69250E+06 ppm1 2.687 ppm2 6.843 ASSI { 2287} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "67 " and name "HN ")) 2.400 2.400 4.600 peak 2287 weight 0.10000E+01 volume 0.38540E+06 ppm1 2.620 ppm2 8.473 ASSI { 2291} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 2.300 0.700 0.700 peak 2291 weight 0.10000E+01 volume 0.51340E+06 ppm1 2.620 ppm2 6.843 ASSI { 2293} (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) (( segid " " and resid "67 " and name "HN ")) 2.700 0.900 0.900 peak 2293 weight 0.10000E+01 volume 0.21020E+06 ppm1 6.843 ppm2 8.473 ASSI { 2299} (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) (( segid " " and resid "67 " and name "HN ")) 4.300 2.300 2.300 peak 2299 weight 0.10000E+01 volume 0.13060E+05 ppm1 6.594 ppm2 8.473 ASSI { 2309} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "68 " and name "HN ")) 2.800 1.000 1.000 peak 2309 weight 0.10000E+01 volume 0.16780E+06 ppm1 5.191 ppm2 9.106 ASSI { 2313} (( segid " " and resid "68 " and name "HB2 ")) (( segid " " and resid "68 " and name "HN ")) 3.100 1.200 1.200 peak 2313 weight 0.10000E+01 volume 0.91200E+05 ppm1 2.890 ppm2 9.106 ASSI { 2317} (( segid " " and resid "68 " and name "HB3 ")) (( segid " " and resid "68 " and name "HN ")) 3.000 1.100 1.100 peak 2317 weight 0.10000E+01 volume 0.11110E+06 ppm1 2.840 ppm2 9.106 ASSI { 2331} (( segid " " and resid "19 " and name "HG3 ")) (( segid " " and resid "69 " and name "HN ")) 2.400 0.700 0.700 peak 2331 weight 0.10000E+01 volume 0.39330E+06 ppm1 1.554 ppm2 8.654 ASSI { 2336} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "69 " and name "HN ")) 2.800 1.000 1.000 peak 2336 weight 0.10000E+01 volume 0.17050E+06 ppm1 1.683 ppm2 8.654 OR { 2336} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "69 " and name "HN ")) ASSI { 2341} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "69 " and name "HN ")) 2.900 1.100 1.100 peak 2341 weight 0.10000E+01 volume 0.13260E+06 ppm1 0.968 ppm2 8.654 OR { 2341} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "69 " and name "HN ")) ASSI { 2398} (( segid " " and resid "71 " and name "HA ")) (( segid " " and resid "71 " and name "HN ")) 2.500 0.800 0.800 peak 2398 weight 0.10000E+01 volume 0.32930E+06 ppm1 4.240 ppm2 8.438 ASSI { 2401} (( segid " " and resid "71 " and name "HB2 ") OR ( segid " " and resid "71 " and name "HB3 ") OR ( segid " " and resid "71 " and name "HB1 ")) (( segid " " and resid "71 " and name "HN ")) 2.200 0.600 0.600 peak 2401 weight 0.10000E+01 volume 0.69180E+06 ppm1 1.393 ppm2 8.438 ASSI { 2414} (( segid " " and resid "72 " and name "HB2 ")) (( segid " " and resid "72 " and name "HN ")) 2.900 1.100 1.100 peak 2414 weight 0.10000E+01 volume 0.14340E+06 ppm1 2.058 ppm2 8.465 ASSI { 2419} (( segid " " and resid "72 " and name "HB3 ")) (( segid " " and resid "72 " and name "HN ")) 2.600 0.800 0.800 peak 2419 weight 0.10000E+01 volume 0.30050E+06 ppm1 1.942 ppm2 8.465 ASSI { 2424} (( segid " " and resid "72 " and name "HG2 ")) (( segid " " and resid "72 " and name "HN ")) 3.000 1.100 1.100 peak 2424 weight 0.10000E+01 volume 0.12170E+06 ppm1 2.293 ppm2 8.465 OR { 2424} (( segid " " and resid "72 " and name "HG3 ")) (( segid " " and resid "72 " and name "HN ")) ASSI { 2443} (( segid " " and resid "73 " and name "HB2 ")) (( segid " " and resid "73 " and name "HN ")) 6.000 6.000 1.000 peak 2443 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.700 ppm2 8.330 OR { 2443} (( segid " " and resid "73 " and name "HG ")) (( segid " " and resid "73 " and name "HN ")) ASSI { 2450} (( segid " " and resid "73 " and name "HB3 ")) (( segid " " and resid "73 " and name "HN ")) 6.000 6.000 1.000 peak 2450 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.633 ppm2 8.330 ASSI { 2484} (( segid " " and resid "74 " and name "HA2 ")) (( segid " " and resid "74 " and name "HN ")) 2.900 1.100 1.100 peak 2484 weight 0.10000E+01 volume 0.14710E+06 ppm1 3.917 ppm2 8.467 ASSI { 2556} (( segid " " and resid "78 " and name "HB ")) (( segid " " and resid "78 " and name "HN ")) 4.700 2.800 2.300 peak 2556 weight 0.10000E+01 volume 0.76540E+04 ppm1 4.238 ppm2 7.827 ASSI { 2568} (( segid " " and resid "77 " and name "HA ")) (( segid " " and resid "77 " and name "HN ")) 6.000 6.000 1.000 peak 2568 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.396 ppm2 8.411 ASSI { 2572} (( segid " " and resid "77 " and name "HB ")) (( segid " " and resid "77 " and name "HN ")) 3.600 1.600 1.600 peak 2572 weight 0.10000E+01 volume 0.37240E+05 ppm1 4.292 ppm2 8.411 ASSI { 2576} (( segid " " and resid "77 " and name "HG21") OR ( segid " " and resid "77 " and name "HG23") OR ( segid " " and resid "77 " and name "HG22")) (( segid " " and resid "77 " and name "HN ")) 3.700 1.700 1.700 peak 2576 weight 0.10000E+01 volume 0.33040E+05 ppm1 1.245 ppm2 8.411 ASSI { 9} (( segid " " and resid "2 " and name "HA ")) (( segid " " and resid "3 " and name "HN ")) 2.500 0.800 0.800 peak 9 weight 0.10000E+01 volume 0.37880E+06 ppm1 4.432 ppm2 8.674 ASSI { 11} (( segid " " and resid "2 " and name "HB2 ")) (( segid " " and resid "3 " and name "HN ")) 3.100 1.200 1.200 peak 11 weight 0.10000E+01 volume 0.91840E+05 ppm1 1.849 ppm2 8.674 ASSI { 20} (( segid " " and resid "3 " and name "HB2 ")) (( segid " " and resid "4 " and name "HN ")) 3.200 1.300 1.300 peak 20 weight 0.10000E+01 volume 0.79800E+05 ppm1 3.920 ppm2 8.535 ASSI { 28} (( segid " " and resid "4 " and name "HA ")) (( segid " " and resid "5 " and name "HN ")) 2.400 0.700 0.700 peak 28 weight 0.10000E+01 volume 0.41100E+06 ppm1 4.488 ppm2 8.361 ASSI { 30} (( segid " " and resid "4 " and name "HB2 ")) (( segid " " and resid "5 " and name "HN ")) 3.100 1.200 1.200 peak 30 weight 0.10000E+01 volume 0.96520E+05 ppm1 3.972 ppm2 8.361 ASSI { 48} (( segid " " and resid "6 " and name "HB2 ")) (( segid " " and resid "7 " and name "HN ")) 2.900 1.100 1.100 peak 48 weight 0.10000E+01 volume 0.12880E+06 ppm1 2.021 ppm2 8.518 ASSI { 55} (( segid " " and resid "4 " and name "HN ")) (( segid " " and resid "2 " and name "HN ")) 6.000 6.000 1.000 peak 55 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.518 ppm2 8.834 ASSI { 74} (( segid " " and resid "9 " and name "HA ")) (( segid " " and resid "10 " and name "HN ")) 2.900 1.100 1.100 peak 74 weight 0.10000E+01 volume 0.12680E+06 ppm1 4.198 ppm2 7.925 ASSI { 79} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "9 " and name "HN ")) 2.200 0.600 0.600 peak 79 weight 0.10000E+01 volume 0.64590E+06 ppm1 7.925 ppm2 8.246 ASSI { 84} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "11 " and name "HN ")) 3.000 1.100 1.100 peak 84 weight 0.10000E+01 volume 0.11600E+06 ppm1 3.301 ppm2 7.993 ASSI { 87} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "11 " and name "HN ")) 3.000 1.100 1.100 peak 87 weight 0.10000E+01 volume 0.12220E+06 ppm1 1.333 ppm2 7.993 ASSI { 94} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "12 " and name "HN ")) 3.300 1.400 1.400 peak 94 weight 0.10000E+01 volume 0.65440E+05 ppm1 3.353 ppm2 7.745 ASSI { 96} (( segid " " and resid "11 " and name "HB ")) (( segid " " and resid "12 " and name "HN ")) 2.500 0.800 0.800 peak 96 weight 0.10000E+01 volume 0.35360E+06 ppm1 2.121 ppm2 7.745 ASSI { 98} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "11 " and name "HN ")) 2.400 0.700 0.700 peak 98 weight 0.10000E+01 volume 0.39240E+06 ppm1 7.745 ppm2 7.993 ASSI { 101} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "13 " and name "HN ")) 2.400 0.700 0.700 peak 101 weight 0.10000E+01 volume 0.43350E+06 ppm1 7.745 ppm2 8.167 ASSI { 102} (( segid " " and resid "12 " and name "HA ")) (( segid " " and resid "13 " and name "HN ")) 3.100 1.200 1.200 peak 102 weight 0.10000E+01 volume 0.10270E+06 ppm1 3.896 ppm2 8.167 ASSI { 104} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "13 " and name "HN ")) 2.400 0.700 0.700 peak 104 weight 0.10000E+01 volume 0.46150E+06 ppm1 1.922 ppm2 8.167 OR { 104} (( segid " " and resid "12 " and name "HB2 ")) (( segid " " and resid "13 " and name "HN ")) ASSI { 109} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "14 " and name "HN ")) 2.500 0.800 0.800 peak 109 weight 0.10000E+01 volume 0.37650E+06 ppm1 8.167 ppm2 8.841 ASSI { 112} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "14 " and name "HN ")) 2.300 0.700 0.700 peak 112 weight 0.10000E+01 volume 0.54440E+06 ppm1 1.507 ppm2 8.841 ASSI { 118} (( segid " " and resid "70 " and name "HD2 ")) (( segid " " and resid "56 " and name "HN ")) 3.200 1.300 1.300 peak 118 weight 0.10000E+01 volume 0.84020E+05 ppm1 3.855 ppm2 8.554 ASSI { 120} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "15 " and name "HN ")) 2.500 0.800 0.800 peak 120 weight 0.10000E+01 volume 0.37280E+06 ppm1 3.155 ppm2 8.554 ASSI { 121} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "15 " and name "HN ")) 2.900 1.100 1.100 peak 121 weight 0.10000E+01 volume 0.14490E+06 ppm1 2.878 ppm2 8.554 ASSI { 128} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "16 " and name "HN ")) 3.100 1.200 1.200 peak 128 weight 0.10000E+01 volume 0.87770E+05 ppm1 3.438 ppm2 7.775 ASSI { 131} (( segid " " and resid "15 " and name "HB3 ")) (( segid " " and resid "16 " and name "HN ")) 3.000 1.100 1.100 peak 131 weight 0.10000E+01 volume 0.11570E+06 ppm1 1.742 ppm2 7.775 ASSI { 133} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 2.500 0.800 0.800 peak 133 weight 0.10000E+01 volume 0.33510E+06 ppm1 7.775 ppm2 8.554 ASSI { 146} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 3.200 1.300 1.300 peak 146 weight 0.10000E+01 volume 0.73660E+05 ppm1 4.276 ppm2 7.529 ASSI { 148} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "18 " and name "HN ")) 6.000 6.000 1.000 peak 148 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.826 ppm2 7.529 ASSI { 155} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "19 " and name "HN ")) 2.500 0.800 0.800 peak 155 weight 0.10000E+01 volume 0.34560E+06 ppm1 7.529 ppm2 8.222 ASSI { 158} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "19 " and name "HN ")) 6.000 6.000 1.000 peak 158 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 8.222 ASSI { 159} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "19 " and name "HN ")) 3.300 1.400 1.400 peak 159 weight 0.10000E+01 volume 0.70510E+05 ppm1 1.186 ppm2 8.222 ASSI { 166} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 2.400 0.700 0.700 peak 166 weight 0.10000E+01 volume 0.47070E+06 ppm1 4.280 ppm2 7.421 ASSI { 175} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "21 " and name "HN ")) 2.600 0.800 0.800 peak 175 weight 0.10000E+01 volume 0.29450E+06 ppm1 7.422 ppm2 7.920 ASSI { 195} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "23 " and name "HN ")) 2.200 0.600 0.600 peak 195 weight 0.10000E+01 volume 0.67220E+06 ppm1 7.924 ppm2 8.320 ASSI { 196} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "23 " and name "HN ")) 6.000 6.000 1.000 peak 196 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.519 ppm2 8.320 ASSI { 199} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "23 " and name "HN ")) 6.000 6.000 1.000 peak 199 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.094 ppm2 8.320 ASSI { 205} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "24 " and name "HN ")) 4.800 2.900 2.200 peak 205 weight 0.10000E+01 volume 0.65660E+04 ppm1 8.320 ppm2 9.548 ASSI { 206} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "24 " and name "HN ")) 2.400 0.700 0.700 peak 206 weight 0.10000E+01 volume 0.38450E+06 ppm1 4.747 ppm2 9.548 ASSI { 208} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "24 " and name "HN ")) 2.900 1.100 1.100 peak 208 weight 0.10000E+01 volume 0.13150E+06 ppm1 3.054 ppm2 9.548 ASSI { 221} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "24 " and name "HN ")) 2.400 0.700 0.700 peak 221 weight 0.10000E+01 volume 0.40200E+06 ppm1 7.993 ppm2 9.548 ASSI { 225} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "26 " and name "HN ")) 4.200 2.200 2.200 peak 225 weight 0.10000E+01 volume 0.15510E+05 ppm1 7.993 ppm2 9.628 ASSI { 226} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "26 " and name "HN ")) 2.300 0.700 0.700 peak 226 weight 0.10000E+01 volume 0.54910E+06 ppm1 5.287 ppm2 9.628 ASSI { 228} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "26 " and name "HN ")) 2.800 1.000 1.000 peak 228 weight 0.10000E+01 volume 0.17370E+06 ppm1 4.333 ppm2 9.628 ASSI { 229} (( segid " " and resid "25 " and name "HB3 ")) (( segid " " and resid "26 " and name "HN ")) 3.400 1.400 1.400 peak 229 weight 0.10000E+01 volume 0.53620E+05 ppm1 3.986 ppm2 9.628 ASSI { 236} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "27 " and name "HN ")) 3.200 1.300 1.300 peak 236 weight 0.10000E+01 volume 0.72490E+05 ppm1 3.807 ppm2 9.069 ASSI { 238} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "27 " and name "HN ")) 2.500 0.800 0.800 peak 238 weight 0.10000E+01 volume 0.30590E+06 ppm1 2.086 ppm2 9.068 ASSI { 239} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "27 " and name "HN ")) 3.200 1.300 1.300 peak 239 weight 0.10000E+01 volume 0.84340E+05 ppm1 1.933 ppm2 9.068 ASSI { 241} (( segid " " and resid "27 " and name "HN ")) (( segid " " and resid "26 " and name "HN ")) 2.800 1.000 1.000 peak 241 weight 0.10000E+01 volume 0.17120E+06 ppm1 9.068 ppm2 9.628 ASSI { 248} (( segid " " and resid "27 " and name "HA2 ")) (( segid " " and resid "28 " and name "HN ")) 3.200 1.300 1.300 peak 248 weight 0.10000E+01 volume 0.83830E+05 ppm1 3.714 ppm2 7.779 ASSI { 251} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HN ")) 2.700 0.900 0.900 peak 251 weight 0.10000E+01 volume 0.19610E+06 ppm1 7.779 ppm2 9.068 ASSI { 260} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HN ")) 2.600 0.800 0.800 peak 260 weight 0.10000E+01 volume 0.25770E+06 ppm1 7.260 ppm2 7.779 ASSI { 264} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "30 " and name "HN ")) 2.500 0.800 0.800 peak 264 weight 0.10000E+01 volume 0.37810E+06 ppm1 7.260 ppm2 8.132 ASSI { 276} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "31 " and name "HN ")) 2.300 0.700 0.700 peak 276 weight 0.10000E+01 volume 0.55630E+06 ppm1 2.221 ppm2 7.679 ASSI { 281} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "32 " and name "HN ")) 6.000 6.000 1.000 peak 281 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.679 ppm2 7.760 ASSI { 282} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "32 " and name "HN ")) 6.000 6.000 1.000 peak 282 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.162 ppm2 7.760 ASSI { 292} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "33 " and name "HN ")) 2.400 0.700 0.700 peak 292 weight 0.10000E+01 volume 0.41670E+06 ppm1 1.394 ppm2 8.135 ASSI { 297} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "34 " and name "HN ")) 2.400 0.700 0.700 peak 297 weight 0.10000E+01 volume 0.44780E+06 ppm1 8.135 ppm2 8.716 ASSI { 301} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "34 " and name "HN ")) 3.400 1.400 1.400 peak 301 weight 0.10000E+01 volume 0.53620E+05 ppm1 1.269 ppm2 8.716 ASSI { 310} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "35 " and name "HN ")) 2.700 0.900 0.900 peak 310 weight 0.10000E+01 volume 0.21680E+06 ppm1 2.331 ppm2 8.332 ASSI { 318} (( segid " " and resid "35 " and name "HA ")) (( segid " " and resid "36 " and name "HN ")) 2.800 1.000 1.000 peak 318 weight 0.10000E+01 volume 0.17400E+06 ppm1 4.111 ppm2 7.384 ASSI { 320} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "36 " and name "HN ")) 6.000 6.000 1.000 peak 320 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.280 ppm2 7.384 ASSI { 323} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "35 " and name "HN ")) 2.500 0.800 0.800 peak 323 weight 0.10000E+01 volume 0.34260E+06 ppm1 7.384 ppm2 8.332 ASSI { 327} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "37 " and name "HN ")) 2.300 0.700 0.700 peak 327 weight 0.10000E+01 volume 0.50310E+06 ppm1 7.384 ppm2 7.737 ASSI { 328} (( segid " " and resid "36 " and name "HA ")) (( segid " " and resid "37 " and name "HN ")) 2.900 1.100 1.100 peak 328 weight 0.10000E+01 volume 0.15340E+06 ppm1 4.283 ppm2 7.737 ASSI { 330} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "37 " and name "HN ")) 3.000 1.100 1.100 peak 330 weight 0.10000E+01 volume 0.10400E+06 ppm1 2.483 ppm2 7.737 ASSI { 331} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "37 " and name "HN ")) 3.000 1.100 1.100 peak 331 weight 0.10000E+01 volume 0.11810E+06 ppm1 2.241 ppm2 7.737 ASSI { 340} (( segid " " and resid "37 " and name "HA2 ")) (( segid " " and resid "38 " and name "HN ")) 3.000 1.100 1.100 peak 340 weight 0.10000E+01 volume 0.11550E+06 ppm1 3.631 ppm2 7.639 ASSI { 346} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "39 " and name "HN ")) 3.700 1.700 1.700 peak 346 weight 0.10000E+01 volume 0.33530E+05 ppm1 7.639 ppm2 8.299 ASSI { 349} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "39 " and name "HN ")) 2.700 0.900 0.900 peak 349 weight 0.10000E+01 volume 0.20070E+06 ppm1 3.007 ppm2 8.299 ASSI { 350} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "39 " and name "HN ")) 3.300 1.400 1.400 peak 350 weight 0.10000E+01 volume 0.69950E+05 ppm1 2.581 ppm2 8.299 ASSI { 356} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "40 " and name "HN ")) 2.800 1.000 1.000 peak 356 weight 0.10000E+01 volume 0.18010E+06 ppm1 8.299 ppm2 8.778 ASSI { 359} (( segid " " and resid "39 " and name "HB2 ")) (( segid " " and resid "40 " and name "HN ")) 3.000 1.100 1.100 peak 359 weight 0.10000E+01 volume 0.12290E+06 ppm1 2.681 ppm2 8.778 ASSI { 368} (( segid " " and resid "40 " and name "HA ")) (( segid " " and resid "41 " and name "HN ")) 2.600 0.800 0.800 peak 368 weight 0.10000E+01 volume 0.26060E+06 ppm1 4.550 ppm2 8.108 ASSI { 373} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "40 " and name "HN ")) 2.500 0.800 0.800 peak 373 weight 0.10000E+01 volume 0.35580E+06 ppm1 8.108 ppm2 8.778 ASSI { 378} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "42 " and name "HN ")) 2.100 0.600 0.600 peak 378 weight 0.10000E+01 volume 0.10150E+07 ppm1 4.143 ppm2 6.765 ASSI { 380} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "42 " and name "HN ")) 3.200 1.300 1.300 peak 380 weight 0.10000E+01 volume 0.82880E+05 ppm1 1.958 ppm2 6.765 ASSI { 382} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "41 " and name "HN ")) 3.700 1.700 1.700 peak 382 weight 0.10000E+01 volume 0.32190E+05 ppm1 6.765 ppm2 8.108 ASSI { 385} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "43 " and name "HN ")) 4.400 2.400 2.400 peak 385 weight 0.10000E+01 volume 0.11810E+05 ppm1 6.765 ppm2 9.105 ASSI { 388} (( segid " " and resid "42 " and name "HB2 ")) (( segid " " and resid "43 " and name "HN ")) 2.400 0.700 0.700 peak 388 weight 0.10000E+01 volume 0.45710E+06 ppm1 3.219 ppm2 9.105 ASSI { 389} (( segid " " and resid "42 " and name "HB3 ")) (( segid " " and resid "43 " and name "HN ")) 2.900 1.100 1.100 peak 389 weight 0.10000E+01 volume 0.15370E+06 ppm1 3.020 ppm2 9.105 ASSI { 396} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "44 " and name "HN ")) 3.200 1.300 1.300 peak 396 weight 0.10000E+01 volume 0.71940E+05 ppm1 3.606 ppm2 8.389 ASSI { 398} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "44 " and name "HN ")) 2.900 1.100 1.100 peak 398 weight 0.10000E+01 volume 0.15450E+06 ppm1 2.154 ppm2 8.389 ASSI { 399} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "44 " and name "HN ")) 3.000 1.100 1.100 peak 399 weight 0.10000E+01 volume 0.10470E+06 ppm1 2.080 ppm2 8.389 ASSI { 401} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "43 " and name "HN ")) 2.900 1.100 1.100 peak 401 weight 0.10000E+01 volume 0.12760E+06 ppm1 8.389 ppm2 9.105 ASSI { 406} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "45 " and name "HN ")) 3.000 1.100 1.100 peak 406 weight 0.10000E+01 volume 0.11790E+06 ppm1 4.172 ppm2 8.213 ASSI { 408} (( segid " " and resid "44 " and name "HB2 ")) (( segid " " and resid "45 " and name "HN ")) 2.900 1.100 1.100 peak 408 weight 0.10000E+01 volume 0.15200E+06 ppm1 3.921 ppm2 8.213 ASSI { 409} (( segid " " and resid "44 " and name "HB3 ")) (( segid " " and resid "45 " and name "HN ")) 2.800 1.000 1.000 peak 409 weight 0.10000E+01 volume 0.16340E+06 ppm1 3.871 ppm2 8.213 ASSI { 411} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "44 " and name "HN ")) 2.500 0.800 0.800 peak 411 weight 0.10000E+01 volume 0.33040E+06 ppm1 8.213 ppm2 8.389 ASSI { 416} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "46 " and name "HN ")) 3.200 1.300 1.300 peak 416 weight 0.10000E+01 volume 0.80830E+05 ppm1 4.004 ppm2 7.848 ASSI { 418} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "46 " and name "HN ")) 6.000 6.000 1.000 peak 418 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.829 ppm2 7.848 OR { 418} (( segid " " and resid "45 " and name "HB3 ")) (( segid " " and resid "46 " and name "HN ")) ASSI { 420} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HN ")) 2.400 0.700 0.700 peak 420 weight 0.10000E+01 volume 0.39460E+06 ppm1 7.848 ppm2 8.213 ASSI { 423} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "47 " and name "HN ")) 2.500 0.800 0.800 peak 423 weight 0.10000E+01 volume 0.35720E+06 ppm1 7.848 ppm2 8.858 ASSI { 424} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "47 " and name "HN ")) 3.100 1.200 1.200 peak 424 weight 0.10000E+01 volume 0.96260E+05 ppm1 3.429 ppm2 8.858 ASSI { 426} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "47 " and name "HN ")) 2.500 0.800 0.800 peak 426 weight 0.10000E+01 volume 0.30820E+06 ppm1 2.068 ppm2 8.858 ASSI { 436} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "47 " and name "HN ")) 2.500 0.800 0.800 peak 436 weight 0.10000E+01 volume 0.30400E+06 ppm1 7.657 ppm2 8.858 ASSI { 439} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "49 " and name "HN ")) 2.400 0.700 0.700 peak 439 weight 0.10000E+01 volume 0.40770E+06 ppm1 7.657 ppm2 7.933 ASSI { 442} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "49 " and name "HN ")) 2.800 1.000 1.000 peak 442 weight 0.10000E+01 volume 0.15870E+06 ppm1 1.931 ppm2 7.933 ASSI { 449} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 2.400 0.700 0.700 peak 449 weight 0.10000E+01 volume 0.39580E+06 ppm1 7.933 ppm2 8.704 ASSI { 450} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) 3.300 1.400 1.400 peak 450 weight 0.10000E+01 volume 0.60010E+05 ppm1 3.799 ppm2 8.704 ASSI { 452} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "50 " and name "HN ")) 2.700 0.900 0.900 peak 452 weight 0.10000E+01 volume 0.19350E+06 ppm1 1.475 ppm2 8.704 ASSI { 453} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "50 " and name "HN ")) 3.400 1.400 1.400 peak 453 weight 0.10000E+01 volume 0.54040E+05 ppm1 1.057 ppm2 8.704 ASSI { 462} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "51 " and name "HN ")) 2.600 0.800 0.800 peak 462 weight 0.10000E+01 volume 0.29320E+06 ppm1 2.154 ppm2 7.644 ASSI { 463} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "51 " and name "HN ")) 3.000 1.100 1.100 peak 463 weight 0.10000E+01 volume 0.11870E+06 ppm1 1.421 ppm2 7.644 ASSI { 465} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 2.700 0.900 0.900 peak 465 weight 0.10000E+01 volume 0.22990E+06 ppm1 7.644 ppm2 8.704 ASSI { 469} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "52 " and name "HN ")) 2.600 0.800 0.800 peak 469 weight 0.10000E+01 volume 0.25220E+06 ppm1 7.644 ppm2 8.348 ASSI { 478} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) 3.200 1.300 1.300 peak 478 weight 0.10000E+01 volume 0.75660E+05 ppm1 3.884 ppm2 8.039 ASSI { 480} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "53 " and name "HN ")) 3.000 1.100 1.100 peak 480 weight 0.10000E+01 volume 0.10810E+06 ppm1 1.723 ppm2 8.039 ASSI { 481} (( segid " " and resid "52 " and name "HB3 ")) (( segid " " and resid "53 " and name "HN ")) 2.500 0.800 0.800 peak 481 weight 0.10000E+01 volume 0.32120E+06 ppm1 1.508 ppm2 8.039 ASSI { 483} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "52 " and name "HN ")) 2.500 0.800 0.800 peak 483 weight 0.10000E+01 volume 0.36090E+06 ppm1 8.039 ppm2 8.348 ASSI { 488} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "54 " and name "HN ")) 2.900 1.100 1.100 peak 488 weight 0.10000E+01 volume 0.14640E+06 ppm1 4.573 ppm2 7.718 ASSI { 490} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "54 " and name "HN ")) 3.900 1.900 1.900 peak 490 weight 0.10000E+01 volume 0.23810E+05 ppm1 3.474 ppm2 7.718 ASSI { 491} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "54 " and name "HN ")) 3.800 1.800 1.800 peak 491 weight 0.10000E+01 volume 0.29590E+05 ppm1 2.880 ppm2 7.718 ASSI { 493} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "53 " and name "HN ")) 2.400 0.700 0.700 peak 493 weight 0.10000E+01 volume 0.42820E+06 ppm1 7.718 ppm2 8.039 ASSI { 500} (( segid " " and resid "54 " and name "HA2 ")) (( segid " " and resid "55 " and name "HN ")) 2.700 0.900 0.900 peak 500 weight 0.10000E+01 volume 0.23060E+06 ppm1 3.922 ppm2 8.120 ASSI { 507} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) 2.000 0.500 0.500 peak 507 weight 0.10000E+01 volume 0.11280E+07 ppm1 4.588 ppm2 8.552 ASSI { 509} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "56 " and name "HN ")) 2.500 0.800 0.800 peak 509 weight 0.10000E+01 volume 0.34920E+06 ppm1 1.460 ppm2 8.552 ASSI { 515} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "57 " and name "HN ")) 2.200 0.600 0.600 peak 515 weight 0.10000E+01 volume 0.74300E+06 ppm1 4.690 ppm2 8.323 ASSI { 517} (( segid " " and resid "56 " and name "HB ")) (( segid " " and resid "57 " and name "HN ")) 2.300 0.700 0.700 peak 517 weight 0.10000E+01 volume 0.55300E+06 ppm1 2.136 ppm2 8.323 ASSI { 524} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "58 " and name "HN ")) 2.100 0.600 0.600 peak 524 weight 0.10000E+01 volume 0.97680E+06 ppm1 5.089 ppm2 8.923 ASSI { 526} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "58 " and name "HN ")) 3.400 1.400 1.400 peak 526 weight 0.10000E+01 volume 0.56970E+05 ppm1 1.378 ppm2 8.923 ASSI { 527} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "58 " and name "HN ")) 2.900 1.100 1.100 peak 527 weight 0.10000E+01 volume 0.14840E+06 ppm1 1.341 ppm2 8.923 ASSI { 534} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "59 " and name "HN ")) 2.300 0.700 0.700 peak 534 weight 0.10000E+01 volume 0.57020E+06 ppm1 4.498 ppm2 7.986 ASSI { 541} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "60 " and name "HN ")) 3.000 1.100 1.100 peak 541 weight 0.10000E+01 volume 0.10390E+06 ppm1 7.986 ppm2 8.733 ASSI { 542} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "60 " and name "HN ")) 2.500 0.800 0.800 peak 542 weight 0.10000E+01 volume 0.37170E+06 ppm1 4.889 ppm2 8.733 ASSI { 544} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "60 " and name "HN ")) 3.100 1.200 1.200 peak 544 weight 0.10000E+01 volume 0.92670E+05 ppm1 1.710 ppm2 8.733 ASSI { 545} (( segid " " and resid "59 " and name "HB3 ")) (( segid " " and resid "60 " and name "HN ")) 3.200 1.300 1.300 peak 545 weight 0.10000E+01 volume 0.70790E+05 ppm1 1.760 ppm2 8.733 ASSI { 554} (( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "61 " and name "HN ")) 2.300 0.700 0.700 peak 554 weight 0.10000E+01 volume 0.60970E+06 ppm1 3.716 ppm2 8.483 ASSI { 555} (( segid " " and resid "60 " and name "HB3 ")) (( segid " " and resid "61 " and name "HN ")) 2.800 1.000 1.000 peak 555 weight 0.10000E+01 volume 0.18500E+06 ppm1 2.805 ppm2 8.483 ASSI { 562} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "62 " and name "HN ")) 3.000 1.100 1.100 peak 562 weight 0.10000E+01 volume 0.10340E+06 ppm1 4.169 ppm2 7.420 ASSI { 564} (( segid " " and resid "61 " and name "HB2 ") OR ( segid " " and resid "61 " and name "HB3 ") OR ( segid " " and resid "61 " and name "HB1 ")) (( segid " " and resid "62 " and name "HN ")) 6.000 6.000 1.000 peak 564 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.479 ppm2 7.420 ASSI { 566} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "61 " and name "HN ")) 2.700 0.900 0.900 peak 566 weight 0.10000E+01 volume 0.22010E+06 ppm1 7.420 ppm2 8.483 ASSI { 570} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "63 " and name "HN ")) 2.600 0.800 0.800 peak 570 weight 0.10000E+01 volume 0.25150E+06 ppm1 4.332 ppm2 8.252 ASSI { 572} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "63 " and name "HN ")) 3.700 1.700 1.700 peak 572 weight 0.10000E+01 volume 0.34550E+05 ppm1 2.061 ppm2 8.252 ASSI { 573} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "63 " and name "HN ")) 3.300 1.400 1.400 peak 573 weight 0.10000E+01 volume 0.64730E+05 ppm1 1.649 ppm2 8.252 ASSI { 582} (( segid " " and resid "63 " and name "HB2 ")) (( segid " " and resid "64 " and name "HN ")) 6.000 6.000 1.000 peak 582 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.513 ppm2 8.010 ASSI { 583} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "64 " and name "HN ")) 4.000 2.000 2.000 peak 583 weight 0.10000E+01 volume 0.19270E+05 ppm1 2.233 ppm2 8.010 ASSI { 589} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "65 " and name "HN ")) 4.100 2.100 2.100 peak 589 weight 0.10000E+01 volume 0.17270E+05 ppm1 8.010 ppm2 8.531 ASSI { 599} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "66 " and name "HN ")) 3.200 1.300 1.300 peak 599 weight 0.10000E+01 volume 0.77000E+05 ppm1 8.531 ppm2 8.777 ASSI { 600} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "66 " and name "HN ")) 2.200 0.600 0.600 peak 600 weight 0.10000E+01 volume 0.81910E+06 ppm1 4.715 ppm2 8.777 ASSI { 602} (( segid " " and resid "65 " and name "HB2 ")) (( segid " " and resid "66 " and name "HN ")) 3.800 1.800 1.800 peak 602 weight 0.10000E+01 volume 0.25740E+05 ppm1 1.922 ppm2 8.777 ASSI { 603} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "66 " and name "HN ")) 3.500 1.500 1.500 peak 603 weight 0.10000E+01 volume 0.47830E+05 ppm1 1.601 ppm2 8.777 ASSI { 610} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) 2.300 0.700 0.700 peak 610 weight 0.10000E+01 volume 0.50360E+06 ppm1 4.583 ppm2 8.473 ASSI { 614} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "66 " and name "HN ")) 3.700 1.700 1.700 peak 614 weight 0.10000E+01 volume 0.32960E+05 ppm1 8.473 ppm2 8.777 ASSI { 617} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "68 " and name "HN ")) 4.200 2.200 2.200 peak 617 weight 0.10000E+01 volume 0.16190E+05 ppm1 8.473 ppm2 9.106 ASSI { 618} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "68 " and name "HN ")) 2.200 0.600 0.600 peak 618 weight 0.10000E+01 volume 0.83310E+06 ppm1 4.962 ppm2 9.106 ASSI { 620} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "68 " and name "HN ")) 3.300 1.400 1.400 peak 620 weight 0.10000E+01 volume 0.58920E+05 ppm1 2.620 ppm2 9.106 ASSI { 627} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "69 " and name "HN ")) 2.300 0.700 0.700 peak 627 weight 0.10000E+01 volume 0.62910E+06 ppm1 5.191 ppm2 8.654 ASSI { 629} (( segid " " and resid "68 " and name "HB2 ")) (( segid " " and resid "69 " and name "HN ")) 2.700 0.900 0.900 peak 629 weight 0.10000E+01 volume 0.22790E+06 ppm1 2.890 ppm2 8.654 ASSI { 630} (( segid " " and resid "68 " and name "HB3 ")) (( segid " " and resid "69 " and name "HN ")) 2.700 0.900 0.900 peak 630 weight 0.10000E+01 volume 0.22810E+06 ppm1 2.840 ppm2 8.654 ASSI { 632} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "68 " and name "HN ")) 4.200 2.200 2.200 peak 632 weight 0.10000E+01 volume 0.14500E+05 ppm1 8.654 ppm2 9.106 ASSI { 640} (( segid " " and resid "70 " and name "HB3 ")) (( segid " " and resid "71 " and name "HN ")) 2.800 1.000 1.000 peak 640 weight 0.10000E+01 volume 0.15520E+06 ppm1 2.024 ppm2 8.438 ASSI { 646} (( segid " " and resid "71 " and name "HA ")) (( segid " " and resid "72 " and name "HN ")) 2.200 0.600 0.600 peak 646 weight 0.10000E+01 volume 0.76520E+06 ppm1 4.240 ppm2 8.465 ASSI { 648} (( segid " " and resid "71 " and name "HB2 ") OR ( segid " " and resid "71 " and name "HB3 ") OR ( segid " " and resid "71 " and name "HB1 ")) (( segid " " and resid "72 " and name "HN ")) 2.600 0.800 0.800 peak 648 weight 0.10000E+01 volume 0.26200E+06 ppm1 1.393 ppm2 8.465 ASSI { 654} (( segid " " and resid "72 " and name "HA ")) (( segid " " and resid "73 " and name "HN ")) 2.200 0.600 0.600 peak 654 weight 0.10000E+01 volume 0.76670E+06 ppm1 4.320 ppm2 8.330 ASSI { 664} (( segid " " and resid "73 " and name "HA ")) (( segid " " and resid "74 " and name "HN ")) 2.500 0.800 0.800 peak 664 weight 0.10000E+01 volume 0.35670E+06 ppm1 4.376 ppm2 8.467 ASSI { 665} (( segid " " and resid "73 " and name "HB2 ")) (( segid " " and resid "74 " and name "HN ")) 4.000 2.000 2.000 peak 665 weight 0.10000E+01 volume 0.19220E+05 ppm1 1.700 ppm2 8.467 OR { 665} (( segid " " and resid "73 " and name "HG ")) (( segid " " and resid "74 " and name "HN ")) ASSI { 675} (( segid " " and resid "74 " and name "HA2 ")) (( segid " " and resid "75 " and name "HN ")) 3.000 1.100 1.100 peak 675 weight 0.10000E+01 volume 0.11180E+06 ppm1 3.917 ppm2 7.941 ASSI { 682} (( segid " " and resid "76 " and name "HA ")) (( segid " " and resid "77 " and name "HN ")) 2.600 0.800 0.800 peak 682 weight 0.10000E+01 volume 0.25160E+06 ppm1 4.534 ppm2 8.413 ASSI { 683} (( segid " " and resid "76 " and name "HB2 ")) (( segid " " and resid "77 " and name "HN ")) 4.000 2.000 2.000 peak 683 weight 0.10000E+01 volume 0.19180E+05 ppm1 2.327 ppm2 8.414 ASSI { 684} (( segid " " and resid "76 " and name "HB3 ")) (( segid " " and resid "77 " and name "HN ")) 4.400 2.400 2.400 peak 684 weight 0.10000E+01 volume 0.12130E+05 ppm1 1.957 ppm2 8.411 ASSI { 691} (( segid " " and resid "77 " and name "HA ")) (( segid " " and resid "78 " and name "HN ")) 3.000 1.100 1.100 peak 691 weight 0.10000E+01 volume 0.11180E+06 ppm1 4.396 ppm2 7.827 ASSI { 692} (( segid " " and resid "77 " and name "HB ")) (( segid " " and resid "78 " and name "HN ")) 4.500 2.500 2.500 peak 692 weight 0.10000E+01 volume 0.97130E+04 ppm1 4.290 ppm2 7.825 ASSI { 2690} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "64 " and name "HN ")) 3.300 1.400 1.400 peak 2690 weight 0.10000E+01 volume 0.65560E+05 ppm1 1.649 ppm2 8.011 ASSI { 2693} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "64 " and name "HN ")) 3.600 1.600 1.600 peak 2693 weight 0.10000E+01 volume 0.39030E+05 ppm1 7.420 ppm2 8.010 ASSI { 2695} (( segid " " and resid "56 " and name "HN ")) (( segid " " and resid "68 " and name "HN ")) 2.800 1.000 1.000 peak 2695 weight 0.10000E+01 volume 0.17870E+06 ppm1 8.552 ppm2 9.105 ASSI { 2697} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "58 " and name "HN ")) 3.400 1.400 1.400 peak 2697 weight 0.10000E+01 volume 0.54030E+05 ppm1 4.964 ppm2 8.923 ASSI { 2698} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "58 " and name "HN ")) 3.400 1.400 1.400 peak 2698 weight 0.10000E+01 volume 0.52760E+05 ppm1 1.843 ppm2 8.923 ASSI { 2699} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "58 " and name "HN ")) 3.100 1.200 1.200 peak 2699 weight 0.10000E+01 volume 0.88280E+05 ppm1 0.646 ppm2 8.923 ASSI { 2701} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "60 " and name "HN ")) 3.000 1.100 1.100 peak 2701 weight 0.10000E+01 volume 0.11130E+06 ppm1 0.651 ppm2 8.734 ASSI { 2702} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "44 " and name "HN ")) 3.900 1.900 1.900 peak 2702 weight 0.10000E+01 volume 0.22900E+05 ppm1 7.848 ppm2 8.388 ASSI { 2703} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "47 " and name "HN ")) 4.000 2.000 2.000 peak 2703 weight 0.10000E+01 volume 0.19800E+05 ppm1 8.213 ppm2 8.858 ASSI { 2705} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 3.200 1.300 1.300 peak 2705 weight 0.10000E+01 volume 0.78560E+05 ppm1 7.657 ppm2 8.704 ASSI { 2706} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "46 " and name "HN ")) 2.800 1.000 1.000 peak 2706 weight 0.10000E+01 volume 0.18180E+06 ppm1 7.657 ppm2 7.848 ASSI { 2708} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "53 " and name "HN ")) 4.000 2.000 2.000 peak 2708 weight 0.10000E+01 volume 0.19730E+05 ppm1 7.644 ppm2 8.041 ASSI { 2709} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "52 " and name "HN ")) 3.900 1.900 1.900 peak 2709 weight 0.10000E+01 volume 0.23770E+05 ppm1 7.717 ppm2 8.348 ASSI { 2718} (( segid " " and resid "60 " and name "HD22")) (( segid " " and resid "60 " and name "HD21")) 6.000 6.000 1.000 peak 2718 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.599 ppm2 7.839 ASSI { 2727} (( segid " " and resid "43 " and name "HE22")) (( segid " " and resid "43 " and name "HE21")) 6.000 6.000 1.000 peak 2727 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.906 ppm2 7.635 ASSI { 2736} (( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "60 " and name "HD22")) 2.800 1.000 1.000 peak 2736 weight 0.10000E+01 volume 0.18660E+06 ppm1 3.717 ppm2 7.604 ASSI { 2737} (( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "60 " and name "HD21")) 3.400 1.400 1.400 peak 2737 weight 0.10000E+01 volume 0.50970E+05 ppm1 3.720 ppm2 7.841 ASSI { 2738} (( segid " " and resid "60 " and name "HB3 ")) (( segid " " and resid "60 " and name "HD22")) 2.700 0.900 0.900 peak 2738 weight 0.10000E+01 volume 0.21160E+06 ppm1 2.807 ppm2 7.608 ASSI { 2739} (( segid " " and resid "60 " and name "HB3 ")) (( segid " " and resid "60 " and name "HD21")) 3.700 1.700 1.700 peak 2739 weight 0.10000E+01 volume 0.33380E+05 ppm1 2.807 ppm2 7.837 ASSI { 2740} (( segid " " and resid "43 " and name "HG2 ")) (( segid " " and resid "43 " and name "HE22")) 3.800 1.800 1.800 peak 2740 weight 0.10000E+01 volume 0.27770E+05 ppm1 2.417 ppm2 6.906 ASSI { 2741} (( segid " " and resid "43 " and name "HG3 ")) (( segid " " and resid "43 " and name "HE22")) 3.600 1.600 1.600 peak 2741 weight 0.10000E+01 volume 0.36470E+05 ppm1 2.287 ppm2 6.906 ASSI { 2742} (( segid " " and resid "43 " and name "HG2 ")) (( segid " " and resid "43 " and name "HE21")) 3.300 1.400 1.400 peak 2742 weight 0.10000E+01 volume 0.62440E+05 ppm1 2.417 ppm2 7.634 ASSI { 2743} (( segid " " and resid "43 " and name "HG3 ")) (( segid " " and resid "43 " and name "HE21")) 3.300 1.400 1.400 peak 2743 weight 0.10000E+01 volume 0.67980E+05 ppm1 2.287 ppm2 7.634 ASSI { 2746} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "46 " and name "HN ")) 3.700 1.700 1.700 peak 2746 weight 0.10000E+01 volume 0.33770E+05 ppm1 6.765 ppm2 7.848 ASSI { 2748} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "34 " and name "HN ")) 4.100 2.100 2.100 peak 2748 weight 0.10000E+01 volume 0.17670E+05 ppm1 7.385 ppm2 8.716 ASSI { 2749} (( segid " " and resid "37 " and name "HN ")) (( segid " " and resid "35 " and name "HN ")) 3.600 1.600 1.600 peak 2749 weight 0.10000E+01 volume 0.36290E+05 ppm1 7.738 ppm2 8.332 ASSI { 2750} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "38 " and name "HN ")) 3.000 1.100 1.100 peak 2750 weight 0.10000E+01 volume 0.10580E+06 ppm1 7.385 ppm2 7.639 ASSI { 2762} (( segid " " and resid "36 " and name "HE22")) (( segid " " and resid "36 " and name "HE21")) 1.700 0.400 0.500 peak 2762 weight 0.10000E+01 volume 0.35370E+07 ppm1 6.944 ppm2 7.309 ASSI { 2764} (( segid " " and resid "36 " and name "HA ")) (( segid " " and resid "36 " and name "HE21")) 3.900 1.900 1.900 peak 2764 weight 0.10000E+01 volume 0.21960E+05 ppm1 4.281 ppm2 7.309 ASSI { 2765} (( segid " " and resid "36 " and name "HA ")) (( segid " " and resid "36 " and name "HE22")) 4.800 2.900 2.200 peak 2765 weight 0.10000E+01 volume 0.66300E+04 ppm1 4.289 ppm2 6.945 ASSI { 2766} (( segid " " and resid "36 " and name "HG3 ")) (( segid " " and resid "36 " and name "HE21")) 2.500 0.800 0.800 peak 2766 weight 0.10000E+01 volume 0.30990E+06 ppm1 2.800 ppm2 7.309 ASSI { 2767} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "36 " and name "HE22")) 3.100 1.200 1.200 peak 2767 weight 0.10000E+01 volume 0.90720E+05 ppm1 2.795 ppm2 6.945 OR { 2767} (( segid " " and resid "36 " and name "HG3 ")) (( segid " " and resid "36 " and name "HE22")) ASSI { 2768} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HE22")) 3.700 1.700 1.700 peak 2768 weight 0.10000E+01 volume 0.30590E+05 ppm1 2.483 ppm2 6.947 ASSI { 2769} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HE21")) 2.800 1.000 1.000 peak 2769 weight 0.10000E+01 volume 0.18160E+06 ppm1 2.483 ppm2 7.309 ASSI { 2770} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "36 " and name "HE21")) 3.400 1.400 1.400 peak 2770 weight 0.10000E+01 volume 0.54200E+05 ppm1 2.242 ppm2 7.309 ASSI { 2772} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "34 " and name "HN ")) 3.600 1.600 1.600 peak 2772 weight 0.10000E+01 volume 0.37800E+05 ppm1 7.757 ppm2 8.718 ASSI { 2774} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "30 " and name "HN ")) 6.000 6.000 1.000 peak 2774 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.760 ppm2 8.132 ASSI { 2776} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "27 " and name "HN ")) 4.200 2.200 2.200 peak 2776 weight 0.10000E+01 volume 0.15930E+05 ppm1 7.260 ppm2 9.068 ASSI { 2780} (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) (( segid " " and resid "24 " and name "HN ")) 3.400 1.400 1.400 peak 2780 weight 0.10000E+01 volume 0.54370E+05 ppm1 7.275 ppm2 9.548 ASSI { 2792} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "19 " and name "HN ")) 3.700 1.700 1.700 peak 2792 weight 0.10000E+01 volume 0.33290E+05 ppm1 7.673 ppm2 8.222 ASSI { 2793} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "16 " and name "HN ")) 3.100 1.200 1.200 peak 2793 weight 0.10000E+01 volume 0.85110E+05 ppm1 7.529 ppm2 7.776 ASSI { 2794} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 4.400 2.400 2.400 peak 2794 weight 0.10000E+01 volume 0.10810E+05 ppm1 7.672 ppm2 8.554 ASSI { 2795} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "14 " and name "HN ")) 3.800 1.800 1.800 peak 2795 weight 0.10000E+01 volume 0.27200E+05 ppm1 7.770 ppm2 8.847 ASSI { 2799} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "10 " and name "HN ")) 3.500 1.500 1.500 peak 2799 weight 0.10000E+01 volume 0.43710E+05 ppm1 7.745 ppm2 7.925 ASSI { 2800} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "7 " and name "HN ")) 3.600 1.600 1.600 peak 2800 weight 0.10000E+01 volume 0.35730E+05 ppm1 8.245 ppm2 8.521 ASSI { 2801} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "9 " and name "HN ")) 2.600 0.800 0.800 peak 2801 weight 0.10000E+01 volume 0.29780E+06 ppm1 7.992 ppm2 8.246 ASSI { 2804} (( segid " " and resid "57 " and name "HH22")) (( segid " " and resid "57 " and name "HE ")) 6.000 6.000 1.000 peak 2804 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.481 ppm2 6.884 OR { 2804} (( segid " " and resid "57 " and name "HH21")) (( segid " " and resid "57 " and name "HE ")) ASSI { 2805} (( segid " " and resid "57 " and name "HD2 ")) (( segid " " and resid "57 " and name "HH22")) 2.800 2.800 4.200 peak 2805 weight 0.10000E+01 volume 0.19060E+06 ppm1 2.799 ppm2 6.483 OR { 2805} (( segid " " and resid "57 " and name "HD2 ")) (( segid " " and resid "57 " and name "HH21")) ASSI { 2806} (( segid " " and resid "57 " and name "HD3 ")) (( segid " " and resid "57 " and name "HH21")) 3.100 1.200 1.200 peak 2806 weight 0.10000E+01 volume 0.86960E+05 ppm1 2.683 ppm2 6.483 OR { 2806} (( segid " " and resid "57 " and name "HD3 ")) (( segid " " and resid "57 " and name "HH22")) ASSI { 2807} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HH21")) 3.600 1.600 1.600 peak 2807 weight 0.10000E+01 volume 0.39210E+05 ppm1 0.709 ppm2 6.483 OR { 2807} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HH22")) ASSI { 2819} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "38 " and name "HZ ")) 3.500 1.500 1.500 peak 2819 weight 0.10000E+01 volume 0.47790E+05 ppm1 1.337 ppm2 7.077 ASSI { 2820} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "38 " and name "HZ ")) 2.400 0.700 0.700 peak 2820 weight 0.10000E+01 volume 0.44790E+06 ppm1 1.508 ppm2 7.071 ASSI { 2821} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "38 " and name "HZ ")) 2.500 0.800 0.800 peak 2821 weight 0.10000E+01 volume 0.35800E+06 ppm1 2.373 ppm2 7.069 OR { 2821} (( segid " " and resid "9 " and name "HB3 ")) (( segid " " and resid "38 " and name "HZ ")) ASSI { 2822} (( segid " " and resid "7 " and name "HG2 ")) (( segid " " and resid "38 " and name "HZ ")) 3.100 3.100 3.900 peak 2822 weight 0.10000E+01 volume 0.91620E+05 ppm1 2.447 ppm2 7.071 OR { 2822} (( segid " " and resid "7 " and name "HG3 ")) (( segid " " and resid "38 " and name "HZ ")) ASSI { 2823} (( segid " " and resid "9 " and name "HG2 ")) (( segid " " and resid "38 " and name "HZ ")) 3.400 1.400 1.400 peak 2823 weight 0.10000E+01 volume 0.56680E+05 ppm1 2.524 ppm2 7.074 OR { 2823} (( segid " " and resid "9 " and name "HG3 ")) (( segid " " and resid "38 " and name "HZ ")) ASSI { 2824} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "38 " and name "HZ ")) 2.600 0.800 0.800 peak 2824 weight 0.10000E+01 volume 0.25380E+06 ppm1 3.302 ppm2 7.072 ASSI { 2825} (( segid " " and resid "9 " and name "HA ")) (( segid " " and resid "38 " and name "HZ ")) 3.500 1.500 1.500 peak 2825 weight 0.10000E+01 volume 0.45550E+05 ppm1 4.201 ppm2 7.074 ASSI { 2827} (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) (( segid " " and resid "26 " and name "HN ")) 3.100 1.200 1.200 peak 2827 weight 0.10000E+01 volume 0.89550E+05 ppm1 6.584 ppm2 9.628 ASSI { 2828} (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) (( segid " " and resid "26 " and name "HN ")) 4.900 3.000 2.100 peak 2828 weight 0.10000E+01 volume 0.59250E+04 ppm1 6.832 ppm2 9.629 ASSI { 2830} (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) (( segid " " and resid "24 " and name "HN ")) 5.000 3.100 2.000 peak 2830 weight 0.10000E+01 volume 0.52450E+04 ppm1 6.834 ppm2 9.541 ASSI { 2831} (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) (( segid " " and resid "68 " and name "HN ")) 3.100 1.200 1.200 peak 2831 weight 0.10000E+01 volume 0.85510E+05 ppm1 6.836 ppm2 9.104 ASSI { 2834} (( segid " " and resid "26 " and name "HE21")) (( segid " " and resid "47 " and name "HN ")) 4.500 2.500 2.500 peak 2834 weight 0.10000E+01 volume 0.97350E+04 ppm1 6.897 ppm2 8.858 ASSI { 2835} (( segid " " and resid "14 " and name "HZ ")) (( segid " " and resid "50 " and name "HN ")) 3.100 1.200 1.200 peak 2835 weight 0.10000E+01 volume 0.10090E+06 ppm1 6.955 ppm2 8.704 ASSI { 2836} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "50 " and name "HN ")) 3.600 1.600 1.600 peak 2836 weight 0.10000E+01 volume 0.37410E+05 ppm1 7.007 ppm2 8.704 ASSI { 2838} (( segid " " and resid "38 " and name "HZ ")) (( segid " " and resid "14 " and name "HN ")) 5.600 3.900 1.400 peak 2838 weight 0.10000E+01 volume 0.26290E+04 ppm1 7.075 ppm2 8.847 ASSI { 2840} (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) (( segid " " and resid "68 " and name "HN ")) 5.500 3.800 1.500 peak 2840 weight 0.10000E+01 volume 0.29330E+04 ppm1 6.592 ppm2 9.102 ASSI { 2841} (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) (( segid " " and resid "27 " and name "HN ")) 5.400 3.600 1.600 peak 2841 weight 0.10000E+01 volume 0.33800E+04 ppm1 6.587 ppm2 9.071 ASSI { 2842} (( segid " " and resid "43 " and name "HE21")) (( segid " " and resid "27 " and name "HN ")) 5.000 3.100 2.000 peak 2842 weight 0.10000E+01 volume 0.51960E+04 ppm1 7.632 ppm2 9.069 ASSI { 2844} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "27 " and name "HN ")) 4.800 2.900 2.200 peak 2844 weight 0.10000E+01 volume 0.65610E+04 ppm1 8.127 ppm2 9.068 ASSI { 2845} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "43 " and name "HN ")) 5.000 3.100 2.000 peak 2845 weight 0.10000E+01 volume 0.53090E+04 ppm1 8.203 ppm2 9.103 ASSI { 2847} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "68 " and name "HN ")) 5.400 3.600 1.600 peak 2847 weight 0.10000E+01 volume 0.35010E+04 ppm1 8.308 ppm2 9.101 ASSI { 2848} (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) (( segid " " and resid "34 " and name "HN ")) 4.700 2.800 2.300 peak 2848 weight 0.10000E+01 volume 0.81410E+04 ppm1 7.451 ppm2 8.715 ASSI { 2849} (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) (( segid " " and resid "40 " and name "HN ")) 5.300 3.500 1.700 peak 2849 weight 0.10000E+01 volume 0.38370E+04 ppm1 7.451 ppm2 8.775 ASSI { 2850} (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) (( segid " " and resid "50 " and name "HN ")) 5.000 3.100 2.000 peak 2850 weight 0.10000E+01 volume 0.55300E+04 ppm1 7.511 ppm2 8.701 ASSI { 2851} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "60 " and name "HN ")) 4.500 2.500 2.500 peak 2851 weight 0.10000E+01 volume 0.10340E+05 ppm1 7.407 ppm2 8.736 ASSI { 2852} (( segid " " and resid "60 " and name "HD21")) (( segid " " and resid "60 " and name "HN ")) 5.000 3.100 2.000 peak 2852 weight 0.10000E+01 volume 0.51430E+04 ppm1 7.832 ppm2 8.733 ASSI { 2853} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "14 " and name "HN ")) 5.400 3.600 1.600 peak 2853 weight 0.10000E+01 volume 0.32090E+04 ppm1 7.989 ppm2 8.841 ASSI { 2854} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "8 " and name "HN ")) 2.400 0.700 0.700 peak 2854 weight 0.10000E+01 volume 0.38540E+06 ppm1 8.240 ppm2 8.700 ASSI { 2855} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "47 " and name "HN ")) 5.500 3.800 1.500 peak 2855 weight 0.10000E+01 volume 0.29180E+04 ppm1 8.376 ppm2 8.863 ASSI { 2857} (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) (( segid " " and resid "57 " and name "HN ")) 5.000 3.100 2.000 peak 2857 weight 0.10000E+01 volume 0.55240E+04 ppm1 6.584 ppm2 8.322 ASSI { 2858} (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) (( segid " " and resid "25 " and name "HN ")) 3.700 1.700 1.700 peak 2858 weight 0.10000E+01 volume 0.35090E+05 ppm1 6.586 ppm2 7.998 ASSI { 2859} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "44 " and name "HN ")) 5.100 3.300 1.900 peak 2859 weight 0.10000E+01 volume 0.47100E+04 ppm1 6.756 ppm2 8.388 ASSI { 2860} (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) (( segid " " and resid "15 " and name "HN ")) 3.200 1.300 1.300 peak 2860 weight 0.10000E+01 volume 0.83420E+05 ppm1 6.787 ppm2 8.553 ASSI { 2861} (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) (( segid " " and resid "56 " and name "HN ")) 3.900 1.900 1.900 peak 2861 weight 0.10000E+01 volume 0.22910E+05 ppm1 6.833 ppm2 8.547 ASSI { 2862} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "15 " and name "HN ")) 5.800 4.200 1.200 peak 2862 weight 0.10000E+01 volume 0.22470E+04 ppm1 7.008 ppm2 8.554 ASSI { 2863} (( segid " " and resid "42 " and name "HD22")) (( segid " " and resid "44 " and name "HN ")) 5.000 3.100 2.000 peak 2863 weight 0.10000E+01 volume 0.50200E+04 ppm1 6.932 ppm2 8.385 ASSI { 2864} (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) (( segid " " and resid "57 " and name "HN ")) 4.600 2.600 2.400 peak 2864 weight 0.10000E+01 volume 0.84590E+04 ppm1 6.832 ppm2 8.322 ASSI { 2865} (( segid " " and resid "7 " and name "HE22")) (( segid " " and resid "39 " and name "HN ")) 4.200 2.200 2.200 peak 2865 weight 0.10000E+01 volume 0.14890E+05 ppm1 6.819 ppm2 8.296 ASSI { 2866} (( segid " " and resid "42 " and name "HD22")) (( segid " " and resid "45 " and name "HN ")) 4.400 2.400 2.400 peak 2866 weight 0.10000E+01 volume 0.11350E+05 ppm1 6.930 ppm2 8.212 ASSI { 2867} (( segid " " and resid "38 " and name "HZ ")) (( segid " " and resid "9 " and name "HN ")) 4.700 2.800 2.300 peak 2867 weight 0.10000E+01 volume 0.76630E+04 ppm1 7.068 ppm2 8.247 ASSI { 2868} (( segid " " and resid "38 " and name "HZ ")) (( segid " " and resid "13 " and name "HN ")) 3.800 1.800 1.800 peak 2868 weight 0.10000E+01 volume 0.28210E+05 ppm1 7.067 ppm2 8.166 ASSI { 2870} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "53 " and name "HN ")) 4.200 2.200 2.200 peak 2870 weight 0.10000E+01 volume 0.14910E+05 ppm1 7.011 ppm2 8.038 ASSI { 2871} (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) (( segid " " and resid "25 " and name "HN ")) 3.900 1.900 1.900 peak 2871 weight 0.10000E+01 volume 0.24840E+05 ppm1 6.834 ppm2 7.997 ASSI { 2872} (( segid " " and resid "14 " and name "HZ ")) (( segid " " and resid "49 " and name "HN ")) 4.800 2.900 2.200 peak 2872 weight 0.10000E+01 volume 0.68760E+04 ppm1 6.951 ppm2 7.927 ASSI { 2873} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "49 " and name "HN ")) 4.900 3.000 2.100 peak 2873 weight 0.10000E+01 volume 0.58330E+04 ppm1 7.007 ppm2 7.933 ASSI { 2874} (( segid " " and resid "38 " and name "HZ ")) (( segid " " and resid "10 " and name "HN ")) 3.800 1.800 1.800 peak 2874 weight 0.10000E+01 volume 0.26750E+05 ppm1 7.067 ppm2 7.924 ASSI { 2876} (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) (( segid " " and resid "67 " and name "HN ")) 5.200 3.400 1.800 peak 2876 weight 0.10000E+01 volume 0.40990E+04 ppm1 7.265 ppm2 8.473 ASSI { 2877} (( segid " " and resid "53 " and name "HZ ")) (( segid " " and resid "15 " and name "HN ")) 5.500 3.800 1.500 peak 2877 weight 0.10000E+01 volume 0.28520E+04 ppm1 7.337 ppm2 8.557 ASSI { 2879} (( segid " " and resid "60 " and name "HD22")) (( segid " " and resid "61 " and name "HN ")) 4.100 2.100 2.100 peak 2879 weight 0.10000E+01 volume 0.18600E+05 ppm1 7.596 ppm2 8.485 ASSI { 2880} (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) (( segid " " and resid "39 " and name "HN ")) 3.500 1.500 1.500 peak 2880 weight 0.10000E+01 volume 0.47140E+05 ppm1 7.447 ppm2 8.296 ASSI { 2881} (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) (( segid " " and resid "52 " and name "HN ")) 4.300 2.300 2.300 peak 2881 weight 0.10000E+01 volume 0.13880E+05 ppm1 7.508 ppm2 8.353 ASSI { 2882} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "9 " and name "HN ")) 3.500 1.500 1.500 peak 2882 weight 0.10000E+01 volume 0.47380E+05 ppm1 7.249 ppm2 8.248 ASSI { 2883} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "9 " and name "HN ")) 3.800 1.800 1.800 peak 2883 weight 0.10000E+01 volume 0.25840E+05 ppm1 7.743 ppm2 8.240 ASSI { 2885} (( segid " " and resid "34 " and name "HE21")) (( segid " " and resid "41 " and name "HN ")) 3.400 1.400 1.400 peak 2885 weight 0.10000E+01 volume 0.58110E+05 ppm1 7.199 ppm2 8.117 ASSI { 2890} (( segid " " and resid "60 " and name "HD22")) (( segid " " and resid "64 " and name "HN ")) 3.600 1.600 1.600 peak 2890 weight 0.10000E+01 volume 0.36210E+05 ppm1 7.599 ppm2 8.007 ASSI { 2892} (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) (( segid " " and resid "37 " and name "HN ")) 3.000 1.100 1.100 peak 2892 weight 0.10000E+01 volume 0.11520E+06 ppm1 7.450 ppm2 7.742 ASSI { 2894} (( segid " " and resid "14 " and name "HZ ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.700 1.700 1.700 peak 2894 weight 0.10000E+01 volume 0.33330E+05 ppm1 6.956 ppm2 7.517 ASSI { 2898} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "27 " and name "HN ")) 3.000 1.100 1.100 peak 2898 weight 0.10000E+01 volume 0.11010E+06 ppm1 4.334 ppm2 9.068 ASSI { 2899} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "24 " and name "HN ")) 5.100 3.300 1.900 peak 2899 weight 0.10000E+01 volume 0.49970E+04 ppm1 4.582 ppm2 9.546 ASSI { 2901} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "58 " and name "HN ")) 4.000 2.000 2.000 peak 2901 weight 0.10000E+01 volume 0.19810E+05 ppm1 4.713 ppm2 8.927 ASSI { 2902} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "58 " and name "HN ")) 4.800 2.900 2.200 peak 2902 weight 0.10000E+01 volume 0.66260E+04 ppm1 4.577 ppm2 8.924 ASSI { 2903} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "47 " and name "HN ")) 3.600 1.600 1.600 peak 2903 weight 0.10000E+01 volume 0.40210E+05 ppm1 3.999 ppm2 8.861 ASSI { 2904} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "60 " and name "HN ")) 3.600 1.600 1.600 peak 2904 weight 0.10000E+01 volume 0.37280E+05 ppm1 3.952 ppm2 8.736 ASSI { 2905} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "69 " and name "HN ")) 3.400 1.400 1.400 peak 2905 weight 0.10000E+01 volume 0.53200E+05 ppm1 4.274 ppm2 8.654 ASSI { 2906} (( segid " " and resid "6 " and name "HA ")) (( segid " " and resid "8 " and name "HN ")) 3.100 1.200 1.200 peak 2906 weight 0.10000E+01 volume 0.90940E+05 ppm1 4.334 ppm2 8.702 ASSI { 2908} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "47 " and name "HN ")) 3.300 1.400 1.400 peak 2908 weight 0.10000E+01 volume 0.59130E+05 ppm1 3.603 ppm2 8.860 ASSI { 2909} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "66 " and name "HN ")) 3.900 1.900 1.900 peak 2909 weight 0.10000E+01 volume 0.22690E+05 ppm1 5.086 ppm2 8.778 ASSI { 2910} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "68 " and name "HN ")) 3.100 1.200 1.200 peak 2910 weight 0.10000E+01 volume 0.97980E+05 ppm1 5.086 ppm2 9.107 ASSI { 2911} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "27 " and name "HN ")) 3.700 1.700 1.700 peak 2911 weight 0.10000E+01 volume 0.33990E+05 ppm1 5.284 ppm2 9.071 ASSI { 2912} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "27 " and name "HN ")) 3.600 3.600 3.400 peak 2912 weight 0.10000E+01 volume 0.35600E+05 ppm1 4.176 ppm2 9.069 ASSI { 2914} (( segid " " and resid "68 " and name "HB3 ")) (( segid " " and resid "58 " and name "HN ")) 3.700 1.700 1.700 peak 2914 weight 0.10000E+01 volume 0.30340E+05 ppm1 2.857 ppm2 8.919 ASSI { 2917} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "24 " and name "HN ")) 3.300 1.400 1.400 peak 2917 weight 0.10000E+01 volume 0.59570E+05 ppm1 2.476 ppm2 9.548 ASSI { 2919} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "40 " and name "HN ")) 4.100 2.100 2.100 peak 2919 weight 0.10000E+01 volume 0.18740E+05 ppm1 3.004 ppm2 8.777 ASSI { 2920} (( segid " " and resid "59 " and name "HD3 ")) (( segid " " and resid "60 " and name "HN ")) 4.400 2.400 2.400 peak 2920 weight 0.10000E+01 volume 0.10960E+05 ppm1 3.041 ppm2 8.734 OR { 2920} (( segid " " and resid "59 " and name "HD2 ")) (( segid " " and resid "60 " and name "HN ")) ASSI { 2921} (( segid " " and resid "30 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) 3.800 1.800 1.800 peak 2921 weight 0.10000E+01 volume 0.25600E+05 ppm1 3.203 ppm2 8.714 ASSI { 2922} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) 3.500 1.500 1.500 peak 2922 weight 0.10000E+01 volume 0.47750E+05 ppm1 3.430 ppm2 8.704 ASSI { 2923} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "14 " and name "HN ")) 3.300 1.400 1.400 peak 2923 weight 0.10000E+01 volume 0.66000E+05 ppm1 3.298 ppm2 8.843 ASSI { 2924} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "27 " and name "HN ")) 4.100 2.100 2.100 peak 2924 weight 0.10000E+01 volume 0.18720E+05 ppm1 2.593 ppm2 9.066 OR { 2924} (( segid " " and resid "26 " and name "HG3 ")) (( segid " " and resid "27 " and name "HN ")) ASSI { 2925} (( segid " " and resid "43 " and name "HG2 ")) (( segid " " and resid "27 " and name "HN ")) 3.900 1.900 1.900 peak 2925 weight 0.10000E+01 volume 0.22500E+05 ppm1 2.419 ppm2 9.071 ASSI { 2926} (( segid " " and resid "21 " and name "HG3 ")) (( segid " " and resid "69 " and name "HN ")) 3.500 1.500 1.500 peak 2926 weight 0.10000E+01 volume 0.45890E+05 ppm1 2.331 ppm2 8.652 ASSI { 2927} (( segid " " and resid "65 " and name "HG3 ")) (( segid " " and resid "66 " and name "HN ")) 3.700 1.700 1.700 peak 2927 weight 0.10000E+01 volume 0.31370E+05 ppm1 2.356 ppm2 8.779 ASSI { 2928} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "27 " and name "HN ")) 4.200 2.200 2.200 peak 2928 weight 0.10000E+01 volume 0.15800E+05 ppm1 2.218 ppm2 9.067 ASSI { 2929} (( segid " " and resid "43 " and name "HG3 ")) (( segid " " and resid "27 " and name "HN ")) 4.400 2.400 2.400 peak 2929 weight 0.10000E+01 volume 0.11020E+05 ppm1 2.276 ppm2 9.069 ASSI { 2930} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "40 " and name "HN ")) 4.700 2.800 2.300 peak 2930 weight 0.10000E+01 volume 0.73070E+04 ppm1 1.962 ppm2 8.777 ASSI { 2933} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "68 " and name "HN ")) 3.200 1.300 1.300 peak 2933 weight 0.10000E+01 volume 0.75050E+05 ppm1 1.453 ppm2 9.107 ASSI { 2934} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "60 " and name "HN ")) 3.000 1.100 1.100 peak 2934 weight 0.10000E+01 volume 0.10600E+06 ppm1 1.574 ppm2 8.732 OR { 2934} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "60 " and name "HN ")) ASSI { 2936} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "69 " and name "HN ")) 2.700 0.900 0.900 peak 2936 weight 0.10000E+01 volume 0.20790E+06 ppm1 1.609 ppm2 8.652 ASSI { 2938} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "26 " and name "HN ")) 4.200 2.200 2.200 peak 2938 weight 0.10000E+01 volume 0.15110E+05 ppm1 0.466 ppm2 9.632 ASSI { 2940} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "34 " and name "HN ")) 4.200 2.200 2.200 peak 2940 weight 0.10000E+01 volume 0.16160E+05 ppm1 0.801 ppm2 8.715 ASSI { 2941} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "66 " and name "HN ")) 4.600 2.600 2.400 peak 2941 weight 0.10000E+01 volume 0.82440E+04 ppm1 1.016 ppm2 8.776 ASSI { 2942} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "40 " and name "HN ")) 3.500 3.500 3.500 peak 2942 weight 0.10000E+01 volume 0.42040E+05 ppm1 0.935 ppm2 8.779 ASSI { 2943} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "47 " and name "HN ")) 2.900 1.100 1.100 peak 2943 weight 0.10000E+01 volume 0.12980E+06 ppm1 0.944 ppm2 8.859 ASSI { 2944} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "47 " and name "HN ")) 3.100 1.200 1.200 peak 2944 weight 0.10000E+01 volume 0.89760E+05 ppm1 0.902 ppm2 8.860 ASSI { 2946} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "58 " and name "HN ")) 4.200 2.200 2.200 peak 2946 weight 0.10000E+01 volume 0.15700E+05 ppm1 0.754 ppm2 8.925 ASSI { 2947} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "58 " and name "HN ")) 4.200 2.200 2.200 peak 2947 weight 0.10000E+01 volume 0.14490E+05 ppm1 0.695 ppm2 8.924 ASSI { 2949} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "40 " and name "HN ")) 4.500 2.500 2.500 peak 2949 weight 0.10000E+01 volume 0.10470E+05 ppm1 0.728 ppm2 8.772 ASSI { 2950} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "14 " and name "HN ")) 3.300 1.400 1.400 peak 2950 weight 0.10000E+01 volume 0.67720E+05 ppm1 0.572 ppm2 8.842 ASSI { 2951} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "47 " and name "HN ")) 3.400 1.400 1.400 peak 2951 weight 0.10000E+01 volume 0.52020E+05 ppm1 0.461 ppm2 8.858 ASSI { 2952} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "14 " and name "HN ")) 3.500 1.500 1.500 peak 2952 weight 0.10000E+01 volume 0.44490E+05 ppm1 0.257 ppm2 8.843 ASSI { 2953} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "68 " and name "HN ")) 3.300 1.400 1.400 peak 2953 weight 0.10000E+01 volume 0.63950E+05 ppm1 0.419 ppm2 9.104 ASSI { 2955} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "68 " and name "HN ")) 3.900 1.900 1.900 peak 2955 weight 0.10000E+01 volume 0.24320E+05 ppm1 0.648 ppm2 9.103 ASSI { 2956} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "68 " and name "HN ")) 2.900 1.100 1.100 peak 2956 weight 0.10000E+01 volume 0.13560E+06 ppm1 0.762 ppm2 9.102 ASSI { 2957} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "43 " and name "HN ")) 2.900 1.100 1.100 peak 2957 weight 0.10000E+01 volume 0.14040E+06 ppm1 0.846 ppm2 9.103 ASSI { 2960} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "68 " and name "HN ")) 3.800 1.800 1.800 peak 2960 weight 0.10000E+01 volume 0.29230E+05 ppm1 1.008 ppm2 9.103 ASSI { 2961} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "43 " and name "HN ")) 3.400 1.400 1.400 peak 2961 weight 0.10000E+01 volume 0.50560E+05 ppm1 0.806 ppm2 9.103 ASSI { 2963} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "58 " and name "HN ")) 4.000 2.000 2.000 peak 2963 weight 0.10000E+01 volume 0.18920E+05 ppm1 1.069 ppm2 8.924 ASSI { 2964} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "69 " and name "HN ")) 3.300 1.400 1.400 peak 2964 weight 0.10000E+01 volume 0.70380E+05 ppm1 1.188 ppm2 8.651 ASSI { 2965} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "14 " and name "HN ")) 3.400 1.400 1.400 peak 2965 weight 0.10000E+01 volume 0.51790E+05 ppm1 0.657 ppm2 8.841 ASSI { 2967} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "68 " and name "HN ")) 4.300 2.300 2.300 peak 2967 weight 0.10000E+01 volume 0.13930E+05 ppm1 0.703 ppm2 9.103 ASSI { 2968} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "69 " and name "HN ")) 4.100 2.100 2.100 peak 2968 weight 0.10000E+01 volume 0.16560E+05 ppm1 0.478 ppm2 8.656 ASSI { 2969} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "69 " and name "HN ")) 4.100 2.100 2.100 peak 2969 weight 0.10000E+01 volume 0.16660E+05 ppm1 0.416 ppm2 8.656 ASSI { 2970} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) 4.300 2.300 2.300 peak 2970 weight 0.10000E+01 volume 0.12570E+05 ppm1 4.965 ppm2 8.551 ASSI { 2971} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) 4.000 2.000 2.000 peak 2971 weight 0.10000E+01 volume 0.19900E+05 ppm1 5.187 ppm2 7.918 ASSI { 2974} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) 4.900 3.000 2.100 peak 2974 weight 0.10000E+01 volume 0.59780E+04 ppm1 5.084 ppm2 8.474 ASSI { 2975} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "57 " and name "HN ")) 4.900 3.000 2.100 peak 2975 weight 0.10000E+01 volume 0.62840E+04 ppm1 4.968 ppm2 8.320 ASSI { 2977} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) 4.000 2.000 2.000 peak 2977 weight 0.10000E+01 volume 0.20180E+05 ppm1 5.187 ppm2 8.556 ASSI { 2980} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "45 " and name "HN ")) 4.000 2.000 2.000 peak 2980 weight 0.10000E+01 volume 0.20630E+05 ppm1 3.603 ppm2 8.214 ASSI { 2981} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "30 " and name "HN ")) 5.200 3.400 1.800 peak 2981 weight 0.10000E+01 volume 0.41100E+04 ppm1 3.606 ppm2 8.135 ASSI { 2985} (( segid " " and resid "70 " and name "HD3 ")) (( segid " " and resid "71 " and name "HN ")) 4.500 2.500 2.500 peak 2985 weight 0.10000E+01 volume 0.10400E+05 ppm1 3.759 ppm2 8.441 ASSI { 2986} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "67 " and name "HN ")) 4.300 2.300 2.300 peak 2986 weight 0.10000E+01 volume 0.13480E+05 ppm1 3.046 ppm2 8.473 ASSI { 2987} (( segid " " and resid "42 " and name "HB2 ")) (( segid " " and resid "44 " and name "HN ")) 3.400 1.400 1.400 peak 2987 weight 0.10000E+01 volume 0.58780E+05 ppm1 3.223 ppm2 8.386 ASSI { 2988} (( segid " " and resid "42 " and name "HB3 ")) (( segid " " and resid "44 " and name "HN ")) 3.700 1.700 1.700 peak 2988 weight 0.10000E+01 volume 0.33580E+05 ppm1 3.021 ppm2 8.386 ASSI { 2989} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "9 " and name "HN ")) 4.600 2.600 2.400 peak 2989 weight 0.10000E+01 volume 0.92330E+04 ppm1 3.300 ppm2 8.249 ASSI { 2991} (( segid " " and resid "42 " and name "HB2 ")) (( segid " " and resid "45 " and name "HN ")) 4.000 2.000 2.000 peak 2991 weight 0.10000E+01 volume 0.19140E+05 ppm1 3.210 ppm2 8.211 ASSI { 2992} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "55 " and name "HN ")) 4.200 2.200 2.200 peak 2992 weight 0.10000E+01 volume 0.16050E+05 ppm1 3.479 ppm2 8.116 ASSI { 2993} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "13 " and name "HN ")) 4.400 2.400 2.400 peak 2993 weight 0.10000E+01 volume 0.12110E+05 ppm1 2.852 ppm2 8.165 ASSI { 2995} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "22 " and name "HN ")) 4.500 2.500 2.500 peak 2995 weight 0.10000E+01 volume 0.10430E+05 ppm1 3.040 ppm2 7.933 ASSI { 2996} (( segid " " and resid "39 " and name "HB3 ")) (( segid " " and resid "41 " and name "HN ")) 4.200 2.200 2.200 peak 2996 weight 0.10000E+01 volume 0.15290E+05 ppm1 2.665 ppm2 8.107 OR { 2996} (( segid " " and resid "39 " and name "HB2 ")) (( segid " " and resid "41 " and name "HN ")) ASSI { 2999} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "13 " and name "HN ")) 3.900 1.900 1.900 peak 2999 weight 0.10000E+01 volume 0.24050E+05 ppm1 3.350 ppm2 8.169 ASSI { 3000} (( segid " " and resid "59 " and name "HD3 ")) (( segid " " and resid "63 " and name "HN ")) 3.700 1.700 1.700 peak 3000 weight 0.10000E+01 volume 0.30400E+05 ppm1 3.041 ppm2 8.253 OR { 3000} (( segid " " and resid "59 " and name "HD2 ")) (( segid " " and resid "63 " and name "HN ")) ASSI { 3001} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "15 " and name "HN ")) 3.300 1.400 1.400 peak 3001 weight 0.10000E+01 volume 0.68050E+05 ppm1 3.357 ppm2 8.555 ASSI { 3002} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "41 " and name "HN ")) 4.200 2.200 2.200 peak 3002 weight 0.10000E+01 volume 0.14410E+05 ppm1 2.486 ppm2 8.110 ASSI { 3004} (( segid " " and resid "43 " and name "HG2 ")) (( segid " " and resid "44 " and name "HN ")) 4.600 2.600 2.400 peak 3004 weight 0.10000E+01 volume 0.88320E+04 ppm1 2.417 ppm2 8.388 ASSI { 3008} (( segid " " and resid "43 " and name "HG3 ")) (( segid " " and resid "44 " and name "HN ")) 3.300 1.400 1.400 peak 3008 weight 0.10000E+01 volume 0.61050E+05 ppm1 2.266 ppm2 8.387 ASSI { 3011} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "13 " and name "HN ")) 4.500 2.500 2.500 peak 3011 weight 0.10000E+01 volume 0.93820E+04 ppm1 2.381 ppm2 8.170 OR { 3011} (( segid " " and resid "9 " and name "HB3 ")) (( segid " " and resid "13 " and name "HN ")) ASSI { 3012} (( segid " " and resid "7 " and name "HG2 ")) (( segid " " and resid "9 " and name "HN ")) 2.900 1.100 1.100 peak 3012 weight 0.10000E+01 volume 0.15250E+06 ppm1 2.450 ppm2 8.247 OR { 3012} (( segid " " and resid "7 " and name "HG3 ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 3014} (( segid " " and resid "70 " and name "HG3 ")) (( segid " " and resid "71 " and name "HN ")) 4.300 2.300 2.300 peak 3014 weight 0.10000E+01 volume 0.13570E+05 ppm1 2.130 ppm2 8.439 ASSI { 3016} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "19 " and name "HN ")) 4.300 2.300 2.300 peak 3016 weight 0.10000E+01 volume 0.12720E+05 ppm1 1.276 ppm2 8.220 ASSI { 3019} (( segid " " and resid "52 " and name "HD3 ")) (( segid " " and resid "53 " and name "HN ")) 4.900 3.000 2.100 peak 3019 weight 0.10000E+01 volume 0.60950E+04 ppm1 1.258 ppm2 8.039 ASSI { 3026} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "67 " and name "HN ")) 3.300 1.400 1.400 peak 3026 weight 0.10000E+01 volume 0.64410E+05 ppm1 0.643 ppm2 8.475 ASSI { 3027} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "67 " and name "HN ")) 3.300 1.400 1.400 peak 3027 weight 0.10000E+01 volume 0.67060E+05 ppm1 0.466 ppm2 8.475 ASSI { 3028} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "67 " and name "HN ")) 4.800 2.900 2.200 peak 3028 weight 0.10000E+01 volume 0.67570E+04 ppm1 0.519 ppm2 8.477 ASSI { 3029} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "67 " and name "HN ")) 3.600 1.600 1.600 peak 3029 weight 0.10000E+01 volume 0.35200E+05 ppm1 0.422 ppm2 8.475 ASSI { 3031} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "65 " and name "HN ")) 4.200 2.200 2.200 peak 3031 weight 0.10000E+01 volume 0.15280E+05 ppm1 0.467 ppm2 8.530 ASSI { 3038} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "19 " and name "HN ")) 4.000 2.000 2.000 peak 3038 weight 0.10000E+01 volume 0.21080E+05 ppm1 0.959 ppm2 8.219 OR { 3038} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "19 " and name "HN ")) ASSI { 3039} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "13 " and name "HN ")) 4.100 2.100 2.100 peak 3039 weight 0.10000E+01 volume 0.18210E+05 ppm1 0.255 ppm2 8.168 ASSI { 3041} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "64 " and name "HN ")) 4.300 2.300 2.300 peak 3041 weight 0.10000E+01 volume 0.13230E+05 ppm1 0.465 ppm2 8.008 ASSI { 3042} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "25 " and name "HN ")) 4.700 2.800 2.300 peak 3042 weight 0.10000E+01 volume 0.77280E+04 ppm1 0.518 ppm2 8.001 ASSI { 3043} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "53 " and name "HN ")) 3.800 1.800 1.800 peak 3043 weight 0.10000E+01 volume 0.26550E+05 ppm1 0.699 ppm2 8.040 ASSI { 3045} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "11 " and name "HN ")) 3.800 1.800 1.800 peak 3045 weight 0.10000E+01 volume 0.29810E+05 ppm1 0.745 ppm2 7.989 ASSI { 3046} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "59 " and name "HN ")) 2.900 1.100 1.100 peak 3046 weight 0.10000E+01 volume 0.14320E+06 ppm1 1.010 ppm2 7.986 ASSI { 3047} (( segid " " and resid "52 " and name "HG2 ")) (( segid " " and resid "53 " and name "HN ")) 3.600 1.600 1.600 peak 3047 weight 0.10000E+01 volume 0.39530E+05 ppm1 1.014 ppm2 8.039 ASSI { 3048} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "30 " and name "HN ")) 6.000 6.000 1.000 peak 3048 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.921 ppm2 8.136 OR { 3048} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "30 " and name "HN ")) ASSI { 3049} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "15 " and name "HN ")) 3.600 1.600 1.600 peak 3049 weight 0.10000E+01 volume 0.39290E+05 ppm1 0.864 ppm2 8.555 ASSI { 3050} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "57 " and name "HN ")) 3.200 1.300 1.300 peak 3050 weight 0.10000E+01 volume 0.75900E+05 ppm1 0.760 ppm2 8.324 ASSI { 3052} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "23 " and name "HN ")) 4.700 2.800 2.300 peak 3052 weight 0.10000E+01 volume 0.80250E+04 ppm1 0.590 ppm2 8.310 ASSI { 3059} (( segid " " and resid "45 " and name "HB3 ")) (( segid " " and resid "44 " and name "HN ")) 4.600 2.600 2.400 peak 3059 weight 0.10000E+01 volume 0.84820E+04 ppm1 1.813 ppm2 8.391 OR { 3059} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "44 " and name "HN ")) ASSI { 3063} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "60 " and name "HD21")) 3.200 1.300 1.300 peak 3063 weight 0.10000E+01 volume 0.78490E+05 ppm1 0.462 ppm2 7.841 ASSI { 3064} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "60 " and name "HD21")) 3.600 1.600 1.600 peak 3064 weight 0.10000E+01 volume 0.38280E+05 ppm1 0.648 ppm2 7.843 ASSI { 3068} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "46 " and name "HN ")) 3.200 1.300 1.300 peak 3068 weight 0.10000E+01 volume 0.79390E+05 ppm1 0.843 ppm2 7.850 ASSI { 3069} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "12 " and name "HN ")) 3.000 1.100 1.100 peak 3069 weight 0.10000E+01 volume 0.11230E+06 ppm1 0.863 ppm2 7.745 ASSI { 3070} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "31 " and name "HN ")) 3.300 1.400 1.400 peak 3070 weight 0.10000E+01 volume 0.65930E+05 ppm1 0.845 ppm2 7.677 ASSI { 3073} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "17 " and name "HN ")) 5.400 3.600 1.600 peak 3073 weight 0.10000E+01 volume 0.31850E+04 ppm1 0.569 ppm2 7.676 ASSI { 3076} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "32 " and name "HN ")) 4.400 2.400 2.400 peak 3076 weight 0.10000E+01 volume 0.11730E+05 ppm1 0.775 ppm2 7.760 ASSI { 3077} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "12 " and name "HN ")) 3.400 1.400 1.400 peak 3077 weight 0.10000E+01 volume 0.52660E+05 ppm1 1.101 ppm2 7.745 ASSI { 3080} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 2.900 1.100 1.100 peak 3080 weight 0.10000E+01 volume 0.13150E+06 ppm1 1.051 ppm2 7.516 ASSI { 3082} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "18 " and name "HN ")) 4.600 2.600 2.400 peak 3082 weight 0.10000E+01 volume 0.82830E+04 ppm1 0.769 ppm2 7.533 ASSI { 3084} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "7 " and name "HE21")) 4.700 2.800 2.300 peak 3084 weight 0.10000E+01 volume 0.74710E+04 ppm1 0.747 ppm2 7.511 ASSI { 3085} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "60 " and name "HD22")) 2.900 1.100 1.100 peak 3085 weight 0.10000E+01 volume 0.14070E+06 ppm1 0.467 ppm2 7.607 ASSI { 3087} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "60 " and name "HD22")) 3.000 1.100 1.100 peak 3087 weight 0.10000E+01 volume 0.12180E+06 ppm1 0.647 ppm2 7.606 ASSI { 3088} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.700 0.900 0.900 peak 3088 weight 0.10000E+01 volume 0.22720E+06 ppm1 0.257 ppm2 7.457 ASSI { 3089} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 5.200 3.400 1.800 peak 3089 weight 0.10000E+01 volume 0.41950E+04 ppm1 0.925 ppm2 7.458 ASSI { 3092} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.800 1.000 1.000 peak 3092 weight 0.10000E+01 volume 0.17220E+06 ppm1 1.337 ppm2 7.458 ASSI { 3093} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 4.000 2.000 2.000 peak 3093 weight 0.10000E+01 volume 0.21680E+05 ppm1 1.172 ppm2 7.459 ASSI { 3094} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 2.700 0.900 0.900 peak 3094 weight 0.10000E+01 volume 0.22630E+06 ppm1 1.200 ppm2 7.420 ASSI { 3095} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 2.400 0.700 0.700 peak 3095 weight 0.10000E+01 volume 0.44810E+06 ppm1 0.769 ppm2 7.420 ASSI { 3097} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.400 1.400 1.400 peak 3097 weight 0.10000E+01 volume 0.50670E+05 ppm1 0.667 ppm2 7.456 ASSI { 3098} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.500 0.800 0.800 peak 3098 weight 0.10000E+01 volume 0.33890E+06 ppm1 0.572 ppm2 7.457 ASSI { 3099} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 4.000 2.000 2.000 peak 3099 weight 0.10000E+01 volume 0.19940E+05 ppm1 0.515 ppm2 7.457 ASSI { 3100} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.100 1.200 1.200 peak 3100 weight 0.10000E+01 volume 0.88800E+05 ppm1 0.511 ppm2 7.422 ASSI { 3102} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.200 1.300 1.300 peak 3102 weight 0.10000E+01 volume 0.73210E+05 ppm1 0.660 ppm2 7.422 ASSI { 3106} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "23 " and name "HZ ")) 2.500 0.800 0.800 peak 3106 weight 0.10000E+01 volume 0.34420E+06 ppm1 0.769 ppm2 7.357 ASSI { 3107} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "53 " and name "HZ ")) 2.800 1.000 1.000 peak 3107 weight 0.10000E+01 volume 0.17920E+06 ppm1 0.863 ppm2 7.346 ASSI { 3108} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "53 " and name "HZ ")) 2.600 0.800 0.800 peak 3108 weight 0.10000E+01 volume 0.25730E+06 ppm1 1.099 ppm2 7.346 ASSI { 3109} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "23 " and name "HZ ")) 4.000 2.000 2.000 peak 3109 weight 0.10000E+01 volume 0.18990E+05 ppm1 1.198 ppm2 7.361 ASSI { 3113} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "23 " and name "HZ ")) 3.600 1.600 1.600 peak 3113 weight 0.10000E+01 volume 0.38300E+05 ppm1 1.294 ppm2 7.348 ASSI { 3117} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "60 " and name "HD21")) 3.100 1.200 1.200 peak 3117 weight 0.10000E+01 volume 0.99830E+05 ppm1 1.648 ppm2 7.838 ASSI { 3118} (( segid " " and resid "64 " and name "HB3 ")) (( segid " " and resid "60 " and name "HD21")) 3.200 1.300 1.300 peak 3118 weight 0.10000E+01 volume 0.82250E+05 ppm1 1.766 ppm2 7.838 ASSI { 3122} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "60 " and name "HD22")) 3.700 1.700 1.700 peak 3122 weight 0.10000E+01 volume 0.34600E+05 ppm1 1.654 ppm2 7.604 ASSI { 3123} (( segid " " and resid "64 " and name "HB3 ")) (( segid " " and resid "60 " and name "HD22")) 4.100 2.100 2.100 peak 3123 weight 0.10000E+01 volume 0.17270E+05 ppm1 1.768 ppm2 7.605 ASSI { 3124} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "60 " and name "HD22")) 3.600 1.600 1.600 peak 3124 weight 0.10000E+01 volume 0.40710E+05 ppm1 1.870 ppm2 7.605 ASSI { 3126} (( segid " " and resid "33 " and name "HG ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 4.500 2.500 2.500 peak 3126 weight 0.10000E+01 volume 0.98920E+04 ppm1 1.745 ppm2 7.462 ASSI { 3128} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "18 " and name "HN ")) 4.700 2.800 2.300 peak 3128 weight 0.10000E+01 volume 0.80330E+04 ppm1 1.614 ppm2 7.534 ASSI { 3132} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.400 1.400 1.400 peak 3132 weight 0.10000E+01 volume 0.55230E+05 ppm1 1.508 ppm2 7.456 ASSI { 3133} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "23 " and name "HZ ")) 2.400 0.700 0.700 peak 3133 weight 0.10000E+01 volume 0.43860E+06 ppm1 1.391 ppm2 7.355 ASSI { 3134} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "53 " and name "HZ ")) 4.200 2.200 2.200 peak 3134 weight 0.10000E+01 volume 0.16230E+05 ppm1 1.538 ppm2 7.346 OR { 3134} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "53 " and name "HZ ")) ASSI { 3135} (( segid " " and resid "11 " and name "HB ")) (( segid " " and resid "53 " and name "HZ ")) 4.200 2.200 2.200 peak 3135 weight 0.10000E+01 volume 0.15570E+05 ppm1 2.120 ppm2 7.345 ASSI { 3136} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.400 1.400 1.400 peak 3136 weight 0.10000E+01 volume 0.50300E+05 ppm1 2.017 ppm2 7.457 ASSI { 3137} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "31 " and name "HN ")) 3.600 1.600 1.600 peak 3137 weight 0.10000E+01 volume 0.38870E+05 ppm1 1.395 ppm2 7.679 ASSI { 3138} (( segid " " and resid "30 " and name "HA ")) (( segid " " and resid "32 " and name "HN ")) 4.400 2.400 2.400 peak 3138 weight 0.10000E+01 volume 0.11000E+05 ppm1 3.203 ppm2 7.759 ASSI { 3140} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.400 1.400 1.400 peak 3140 weight 0.10000E+01 volume 0.55220E+05 ppm1 3.302 ppm2 7.458 ASSI { 3142} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "53 " and name "HZ ")) 3.800 1.800 1.800 peak 3142 weight 0.10000E+01 volume 0.26730E+05 ppm1 3.354 ppm2 7.347 ASSI { 3143} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.600 0.800 0.800 peak 3143 weight 0.10000E+01 volume 0.25970E+06 ppm1 2.506 ppm2 7.457 ASSI { 3144} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.500 0.800 0.800 peak 3144 weight 0.10000E+01 volume 0.36780E+06 ppm1 2.230 ppm2 7.457 ASSI { 3145} (( segid " " and resid "22 " and name "HE2 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.000 1.100 1.100 peak 3145 weight 0.10000E+01 volume 0.10500E+06 ppm1 2.710 ppm2 7.422 OR { 3145} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) ASSI { 3146} (( segid " " and resid "22 " and name "HE2 ")) (( segid " " and resid "23 " and name "HZ ")) 2.900 1.100 1.100 peak 3146 weight 0.10000E+01 volume 0.13910E+06 ppm1 2.708 ppm2 7.354 OR { 3146} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "23 " and name "HZ ")) ASSI { 3148} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "12 " and name "HN ")) 5.200 3.400 1.800 peak 3148 weight 0.10000E+01 volume 0.40510E+04 ppm1 3.298 ppm2 7.746 ASSI { 3152} (( segid " " and resid "37 " and name "HA2 ")) (( segid " " and resid "36 " and name "HN ")) 4.100 2.100 2.100 peak 3152 weight 0.10000E+01 volume 0.17730E+05 ppm1 3.629 ppm2 7.388 ASSI { 3153} (( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "62 " and name "HN ")) 4.200 2.200 2.200 peak 3153 weight 0.10000E+01 volume 0.15190E+05 ppm1 3.717 ppm2 7.420 ASSI { 3154} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.100 1.200 1.200 peak 3154 weight 0.10000E+01 volume 0.94030E+05 ppm1 3.797 ppm2 7.515 ASSI { 3156} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 4.000 2.000 2.000 peak 3156 weight 0.10000E+01 volume 0.21850E+05 ppm1 3.854 ppm2 7.530 ASSI { 3159} (( segid " " and resid "27 " and name "HA2 ")) (( segid " " and resid "31 " and name "HN ")) 3.900 1.900 1.900 peak 3159 weight 0.10000E+01 volume 0.22270E+05 ppm1 3.718 ppm2 7.677 ASSI { 3160} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "28 " and name "HN ")) 4.400 2.400 2.400 peak 3160 weight 0.10000E+01 volume 0.10870E+05 ppm1 3.798 ppm2 7.785 ASSI { 3161} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) 3.300 1.400 1.400 peak 3161 weight 0.10000E+01 volume 0.62170E+05 ppm1 3.798 ppm2 8.039 ASSI { 3162} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "16 " and name "HN ")) 3.800 1.800 1.800 peak 3162 weight 0.10000E+01 volume 0.29180E+05 ppm1 3.858 ppm2 7.775 ASSI { 3163} (( segid " " and resid "25 " and name "HB3 ")) (( segid " " and resid "28 " and name "HN ")) 4.500 2.500 2.500 peak 3163 weight 0.10000E+01 volume 0.10280E+05 ppm1 3.984 ppm2 7.782 ASSI { 3164} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "60 " and name "HD22")) 3.100 1.200 1.200 peak 3164 weight 0.10000E+01 volume 0.10130E+06 ppm1 4.517 ppm2 7.606 ASSI { 3165} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 3.800 1.800 1.800 peak 3165 weight 0.10000E+01 volume 0.28540E+05 ppm1 4.076 ppm2 7.531 ASSI { 3167} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.500 0.800 0.800 peak 3167 weight 0.10000E+01 volume 0.32640E+06 ppm1 4.212 ppm2 7.457 ASSI { 3170} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "34 " and name "HE21")) 4.500 2.500 2.500 peak 3170 weight 0.10000E+01 volume 0.10300E+05 ppm1 4.594 ppm2 7.205 ASSI { 3173} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.700 1.700 1.700 peak 3173 weight 0.10000E+01 volume 0.32460E+05 ppm1 0.256 ppm2 6.793 ASSI { 3174} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 3.200 1.300 1.300 peak 3174 weight 0.10000E+01 volume 0.82160E+05 ppm1 0.255 ppm2 7.257 ASSI { 3179} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "42 " and name "HN ")) 2.700 0.900 0.900 peak 3179 weight 0.10000E+01 volume 0.23140E+06 ppm1 0.923 ppm2 6.766 ASSI { 3180} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "42 " and name "HN ")) 2.800 1.000 1.000 peak 3180 weight 0.10000E+01 volume 0.17330E+06 ppm1 0.726 ppm2 6.766 ASSI { 3181} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "34 " and name "HE22")) 2.800 1.000 1.000 peak 3181 weight 0.10000E+01 volume 0.18000E+06 ppm1 0.802 ppm2 6.734 ASSI { 3184} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.500 0.800 0.800 peak 3184 weight 0.10000E+01 volume 0.34770E+06 ppm1 0.669 ppm2 6.791 ASSI { 3186} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.700 0.900 0.900 peak 3186 weight 0.10000E+01 volume 0.20070E+06 ppm1 0.492 ppm2 6.793 ASSI { 3187} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.100 1.200 1.200 peak 3187 weight 0.10000E+01 volume 0.89390E+05 ppm1 0.428 ppm2 6.796 ASSI { 3189} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 2.500 0.800 0.800 peak 3189 weight 0.10000E+01 volume 0.31220E+06 ppm1 0.517 ppm2 6.840 ASSI { 3190} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "26 " and name "HE21")) 2.600 0.800 0.800 peak 3190 weight 0.10000E+01 volume 0.26470E+06 ppm1 0.458 ppm2 6.904 ASSI { 3191} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.400 0.700 0.700 peak 3191 weight 0.10000E+01 volume 0.47540E+06 ppm1 0.437 ppm2 7.012 ASSI { 3192} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.600 0.800 0.800 peak 3192 weight 0.10000E+01 volume 0.29340E+06 ppm1 0.483 ppm2 7.015 ASSI { 3196} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "36 " and name "HE22")) 3.500 1.500 1.500 peak 3196 weight 0.10000E+01 volume 0.41740E+05 ppm1 0.573 ppm2 6.955 ASSI { 3198} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 4.300 2.300 2.300 peak 3198 weight 0.10000E+01 volume 0.13640E+05 ppm1 0.572 ppm2 7.017 ASSI { 3199} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.600 0.800 0.800 peak 3199 weight 0.10000E+01 volume 0.28250E+06 ppm1 0.704 ppm2 7.017 OR { 3199} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) ASSI { 3201} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "36 " and name "HE22")) 3.000 1.100 1.100 peak 3201 weight 0.10000E+01 volume 0.12470E+06 ppm1 0.768 ppm2 6.949 ASSI { 3202} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "14 " and name "HZ ")) 3.000 1.100 1.100 peak 3202 weight 0.10000E+01 volume 0.10880E+06 ppm1 0.946 ppm2 6.964 ASSI { 3203} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.600 0.800 0.800 peak 3203 weight 0.10000E+01 volume 0.26780E+06 ppm1 0.944 ppm2 7.016 ASSI { 3206} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "26 " and name "HE21")) 4.200 2.200 2.200 peak 3206 weight 0.10000E+01 volume 0.14140E+05 ppm1 0.944 ppm2 6.905 ASSI { 3208} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "34 " and name "HE21")) 2.900 1.100 1.100 peak 3208 weight 0.10000E+01 volume 0.13710E+06 ppm1 0.802 ppm2 7.202 ASSI { 3209} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "34 " and name "HE21")) 3.300 1.400 1.400 peak 3209 weight 0.10000E+01 volume 0.66720E+05 ppm1 0.926 ppm2 7.203 ASSI { 3210} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.000 1.100 1.100 peak 3210 weight 0.10000E+01 volume 0.11260E+06 ppm1 0.861 ppm2 7.228 ASSI { 3212} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "29 " and name "HN ")) 4.300 2.300 2.300 peak 3212 weight 0.10000E+01 volume 0.13400E+05 ppm1 0.846 ppm2 7.257 ASSI { 3213} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "29 " and name "HN ")) 4.900 3.000 2.100 peak 3213 weight 0.10000E+01 volume 0.63540E+04 ppm1 0.946 ppm2 7.257 ASSI { 3215} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "36 " and name "HE21")) 3.900 1.900 1.900 peak 3215 weight 0.10000E+01 volume 0.24140E+05 ppm1 0.570 ppm2 7.312 ASSI { 3216} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "36 " and name "HE21")) 3.700 1.700 1.700 peak 3216 weight 0.10000E+01 volume 0.34630E+05 ppm1 0.515 ppm2 7.313 ASSI { 3217} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "36 " and name "HE21")) 3.000 1.100 1.100 peak 3217 weight 0.10000E+01 volume 0.10820E+06 ppm1 0.771 ppm2 7.312 ASSI { 3218} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.100 1.200 1.200 peak 3218 weight 0.10000E+01 volume 0.96160E+05 ppm1 0.771 ppm2 7.279 ASSI { 3219} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 2.700 0.900 0.900 peak 3219 weight 0.10000E+01 volume 0.20500E+06 ppm1 0.572 ppm2 7.257 ASSI { 3221} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.100 1.200 1.200 peak 3221 weight 0.10000E+01 volume 0.93130E+05 ppm1 0.663 ppm2 7.015 ASSI { 3224} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "42 " and name "HN ")) 3.500 1.500 1.500 peak 3224 weight 0.10000E+01 volume 0.42040E+05 ppm1 0.845 ppm2 6.766 ASSI { 3225} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.700 1.700 1.700 peak 3225 weight 0.10000E+01 volume 0.31420E+05 ppm1 1.049 ppm2 7.231 ASSI { 3226} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.000 1.100 1.100 peak 3226 weight 0.10000E+01 volume 0.11070E+06 ppm1 1.101 ppm2 7.231 ASSI { 3228} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.000 1.100 1.100 peak 3228 weight 0.10000E+01 volume 0.11440E+06 ppm1 1.200 ppm2 7.279 ASSI { 3229} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.900 3.900 3.100 peak 3229 weight 0.10000E+01 volume 0.24850E+05 ppm1 1.290 ppm2 7.226 ASSI { 3230} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 2.800 1.000 1.000 peak 3230 weight 0.10000E+01 volume 0.16510E+06 ppm1 1.340 ppm2 7.259 ASSI { 3232} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "36 " and name "HE21")) 3.500 1.500 1.500 peak 3232 weight 0.10000E+01 volume 0.45730E+05 ppm1 1.394 ppm2 7.312 ASSI { 3233} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.200 1.300 1.300 peak 3233 weight 0.10000E+01 volume 0.74750E+05 ppm1 1.407 ppm2 7.229 ASSI { 3234} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 2.300 0.700 0.700 peak 3234 weight 0.10000E+01 volume 0.60670E+06 ppm1 1.508 ppm2 7.256 ASSI { 3235} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "36 " and name "HE21")) 3.900 1.900 1.900 peak 3235 weight 0.10000E+01 volume 0.22280E+05 ppm1 1.513 ppm2 7.311 ASSI { 3244} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "36 " and name "HE22")) 3.200 1.300 1.300 peak 3244 weight 0.10000E+01 volume 0.81710E+05 ppm1 1.508 ppm2 6.950 ASSI { 3245} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "42 " and name "HD22")) 4.300 2.300 2.300 peak 3245 weight 0.10000E+01 volume 0.13610E+05 ppm1 1.586 ppm2 6.940 ASSI { 3246} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "42 " and name "HD22")) 4.600 2.600 2.400 peak 3246 weight 0.10000E+01 volume 0.91490E+04 ppm1 1.686 ppm2 6.937 OR { 3246} (( segid " " and resid "45 " and name "HD2 ")) (( segid " " and resid "42 " and name "HD22")) ASSI { 3247} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "57 " and name "HE ")) 4.200 2.200 2.200 peak 3247 weight 0.10000E+01 volume 0.16120E+05 ppm1 1.608 ppm2 6.885 ASSI { 3248} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.400 1.400 1.400 peak 3248 weight 0.10000E+01 volume 0.51280E+05 ppm1 1.353 ppm2 6.842 OR { 3248} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) ASSI { 3250} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.100 2.100 2.100 peak 3250 weight 0.10000E+01 volume 0.16830E+05 ppm1 1.052 ppm2 6.794 ASSI { 3252} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "42 " and name "HN ")) 3.000 1.100 1.100 peak 3252 weight 0.10000E+01 volume 0.12500E+06 ppm1 1.164 ppm2 6.765 ASSI { 3253} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.400 2.400 2.400 peak 3253 weight 0.10000E+01 volume 0.10910E+05 ppm1 1.277 ppm2 6.795 ASSI { 3255} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 2.500 0.800 0.800 peak 3255 weight 0.10000E+01 volume 0.30660E+06 ppm1 1.454 ppm2 6.843 ASSI { 3256} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.900 1.100 1.100 peak 3256 weight 0.10000E+01 volume 0.12800E+06 ppm1 1.539 ppm2 6.793 OR { 3256} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3257} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "42 " and name "HN ")) 3.900 1.900 1.900 peak 3257 weight 0.10000E+01 volume 0.21980E+05 ppm1 1.583 ppm2 6.767 ASSI { 3258} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "42 " and name "HN ")) 2.800 1.000 1.000 peak 3258 weight 0.10000E+01 volume 0.15620E+06 ppm1 1.679 ppm2 6.766 OR { 3258} (( segid " " and resid "45 " and name "HD2 ")) (( segid " " and resid "42 " and name "HN ")) ASSI { 3259} (( segid " " and resid "45 " and name "HB3 ")) (( segid " " and resid "42 " and name "HN ")) 2.200 0.600 0.600 peak 3259 weight 0.10000E+01 volume 0.65590E+06 ppm1 1.823 ppm2 6.766 OR { 3259} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "42 " and name "HN ")) ASSI { 3262} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "57 " and name "HE ")) 4.300 2.300 2.300 peak 3262 weight 0.10000E+01 volume 0.13550E+05 ppm1 1.850 ppm2 6.883 ASSI { 3264} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "14 " and name "HZ ")) 2.400 0.700 0.700 peak 3264 weight 0.10000E+01 volume 0.41890E+06 ppm1 1.878 ppm2 6.960 ASSI { 3265} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.800 1.000 1.000 peak 3265 weight 0.10000E+01 volume 0.15720E+06 ppm1 1.875 ppm2 7.013 ASSI { 3270} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "36 " and name "HE22")) 4.100 2.100 2.100 peak 3270 weight 0.10000E+01 volume 0.18210E+05 ppm1 2.033 ppm2 6.947 ASSI { 3273} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 6.000 6.000 1.000 peak 3273 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.891 ppm2 7.277 ASSI { 3275} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "34 " and name "HE21")) 6.000 6.000 1.000 peak 3275 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.955 ppm2 7.204 ASSI { 3282} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.400 1.400 1.400 peak 3282 weight 0.10000E+01 volume 0.51890E+05 ppm1 1.349 ppm2 6.591 OR { 3282} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) ASSI { 3283} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.200 1.300 1.300 peak 3283 weight 0.10000E+01 volume 0.82050E+05 ppm1 1.456 ppm2 6.592 ASSI { 3284} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "57 " and name "HH22")) 4.200 2.200 2.200 peak 3284 weight 0.10000E+01 volume 0.16180E+05 ppm1 1.352 ppm2 6.476 OR { 3284} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "57 " and name "HH21")) OR { 3284} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HH21")) OR { 3284} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HH22")) ASSI { 3285} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "57 " and name "HH22")) 4.500 2.500 2.500 peak 3285 weight 0.10000E+01 volume 0.97740E+04 ppm1 1.066 ppm2 6.478 OR { 3285} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "57 " and name "HH21")) ASSI { 3286} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "57 " and name "HH22")) 3.800 1.800 1.800 peak 3286 weight 0.10000E+01 volume 0.28460E+05 ppm1 1.602 ppm2 6.480 OR { 3286} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "57 " and name "HH21")) ASSI { 3287} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "57 " and name "HH21")) 3.600 1.600 1.600 peak 3287 weight 0.10000E+01 volume 0.36530E+05 ppm1 1.846 ppm2 6.484 OR { 3287} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "57 " and name "HH22")) ASSI { 3288} (( segid " " and resid "65 " and name "HB2 ")) (( segid " " and resid "57 " and name "HH22")) 3.700 1.700 1.700 peak 3288 weight 0.10000E+01 volume 0.33170E+05 ppm1 1.907 ppm2 6.482 OR { 3288} (( segid " " and resid "65 " and name "HB2 ")) (( segid " " and resid "57 " and name "HH21")) ASSI { 3291} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.100 2.100 2.100 peak 3291 weight 0.10000E+01 volume 0.17050E+05 ppm1 2.145 ppm2 6.593 ASSI { 3292} (( segid " " and resid "65 " and name "HG3 ")) (( segid " " and resid "57 " and name "HH22")) 3.600 1.600 1.600 peak 3292 weight 0.10000E+01 volume 0.40660E+05 ppm1 2.376 ppm2 6.481 OR { 3292} (( segid " " and resid "65 " and name "HG3 ")) (( segid " " and resid "57 " and name "HH21")) ASSI { 3294} (( segid " " and resid "57 " and name "HD2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.400 1.400 1.400 peak 3294 weight 0.10000E+01 volume 0.53890E+05 ppm1 2.788 ppm2 6.592 ASSI { 3295} (( segid " " and resid "65 " and name "HG2 ")) (( segid " " and resid "57 " and name "HE ")) 4.400 2.400 2.400 peak 3295 weight 0.10000E+01 volume 0.11940E+05 ppm1 2.407 ppm2 6.882 ASSI { 3296} (( segid " " and resid "65 " and name "HG3 ")) (( segid " " and resid "57 " and name "HE ")) 4.700 2.800 2.300 peak 3296 weight 0.10000E+01 volume 0.78150E+04 ppm1 2.364 ppm2 6.883 ASSI { 3298} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.000 1.100 1.100 peak 3298 weight 0.10000E+01 volume 0.10350E+06 ppm1 3.047 ppm2 6.842 ASSI { 3299} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 2.800 1.000 1.000 peak 3299 weight 0.10000E+01 volume 0.16300E+06 ppm1 2.227 ppm2 7.257 ASSI { 3301} (( segid " " and resid "52 " and name "HE3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 4.800 2.900 2.200 peak 3301 weight 0.10000E+01 volume 0.65700E+04 ppm1 2.706 ppm2 7.228 ASSI { 3304} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 2.600 0.800 0.800 peak 3304 weight 0.10000E+01 volume 0.26520E+06 ppm1 3.301 ppm2 7.260 ASSI { 3305} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 4.000 2.000 2.000 peak 3305 weight 0.10000E+01 volume 0.19990E+05 ppm1 3.353 ppm2 7.235 ASSI { 3306} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "59 " and name "HE ")) 4.700 2.800 2.300 peak 3306 weight 0.10000E+01 volume 0.77350E+04 ppm1 3.954 ppm2 7.256 ASSI { 3313} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.800 1.000 1.000 peak 3313 weight 0.10000E+01 volume 0.16700E+06 ppm1 4.018 ppm2 7.012 ASSI { 3314} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "14 " and name "HZ ")) 2.400 0.700 0.700 peak 3314 weight 0.10000E+01 volume 0.48440E+06 ppm1 4.018 ppm2 6.960 ASSI { 3315} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "42 " and name "HN ")) 4.300 2.300 2.300 peak 3315 weight 0.10000E+01 volume 0.13330E+05 ppm1 3.996 ppm2 6.763 ASSI { 3316} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.400 1.400 1.400 peak 3316 weight 0.10000E+01 volume 0.55270E+05 ppm1 3.798 ppm2 6.590 ASSI { 3317} (( segid " " and resid "25 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.100 2.100 2.100 peak 3317 weight 0.10000E+01 volume 0.16630E+05 ppm1 3.993 ppm2 6.592 ASSI { 3319} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.100 2.100 2.100 peak 3319 weight 0.10000E+01 volume 0.16890E+05 ppm1 4.331 ppm2 6.590 ASSI { 3321} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 2.600 0.800 0.800 peak 3321 weight 0.10000E+01 volume 0.30180E+06 ppm1 5.288 ppm2 6.591 ASSI { 3323} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 5.400 3.600 1.600 peak 3323 weight 0.10000E+01 volume 0.32780E+04 ppm1 5.188 ppm2 6.840 ASSI { 3327} (( segid " " and resid "38 " and name "HA ")) (( segid " " and resid "7 " and name "HE22")) 3.800 1.800 1.800 peak 3327 weight 0.10000E+01 volume 0.27590E+05 ppm1 4.551 ppm2 6.824 ASSI { 3330} (( segid " " and resid "47 " and name "HB3 ")) (( segid " " and resid "26 " and name "HE21")) 2.800 1.000 1.000 peak 3330 weight 0.10000E+01 volume 0.16700E+06 ppm1 4.074 ppm2 6.902 OR { 3330} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "26 " and name "HE21")) ASSI { 3332} (( segid " " and resid "27 " and name "HA2 ")) (( segid " " and resid "43 " and name "HE22")) 4.500 2.500 2.500 peak 3332 weight 0.10000E+01 volume 0.99700E+04 ppm1 3.708 ppm2 6.909 ASSI { 3333} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "43 " and name "HE22")) 4.900 3.000 2.100 peak 3333 weight 0.10000E+01 volume 0.57320E+04 ppm1 3.605 ppm2 6.901 ASSI { 3334} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.100 1.200 1.200 peak 3334 weight 0.10000E+01 volume 0.96470E+05 ppm1 3.436 ppm2 6.793 ASSI { 3335} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.300 1.400 1.400 peak 3335 weight 0.10000E+01 volume 0.62720E+05 ppm1 3.353 ppm2 6.793 ASSI { 3336} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "14 " and name "HZ ")) 3.600 1.600 1.600 peak 3336 weight 0.10000E+01 volume 0.40230E+05 ppm1 3.432 ppm2 6.964 ASSI { 3337} (( segid " " and resid "44 " and name "HB2 ")) (( segid " " and resid "42 " and name "HD22")) 3.800 1.800 1.800 peak 3337 weight 0.10000E+01 volume 0.27980E+05 ppm1 3.913 ppm2 6.944 ASSI { 3338} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.400 1.400 1.400 peak 3338 weight 0.10000E+01 volume 0.57410E+05 ppm1 3.478 ppm2 7.015 ASSI { 3339} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.000 1.100 1.100 peak 3339 weight 0.10000E+01 volume 0.12320E+06 ppm1 3.427 ppm2 7.015 ASSI { 3341} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.500 1.500 1.500 peak 3341 weight 0.10000E+01 volume 0.43410E+05 ppm1 3.801 ppm2 7.227 ASSI { 3343} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 4.400 2.400 2.400 peak 3343 weight 0.10000E+01 volume 0.11400E+05 ppm1 3.799 ppm2 6.842 ASSI { 3345} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "42 " and name "HN ")) 5.000 3.100 2.000 peak 3345 weight 0.10000E+01 volume 0.55440E+04 ppm1 3.599 ppm2 6.763 ASSI { 3352} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "61 " and name "HN ")) 3.400 1.400 1.400 peak 3352 weight 0.10000E+01 volume 0.51510E+05 ppm1 8.240 ppm2 8.483 ASSI { 3359} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 5.700 4.100 1.300 peak 3359 weight 0.10000E+01 volume 0.23590E+04 ppm1 3.357 ppm2 7.515 ASSI { 3364} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "34 " and name "HN ")) 4.400 2.400 2.400 peak 3364 weight 0.10000E+01 volume 0.10760E+05 ppm1 0.573 ppm2 8.722 ASSI { 3365} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "34 " and name "HN ")) 4.500 2.500 2.500 peak 3365 weight 0.10000E+01 volume 0.94410E+04 ppm1 0.517 ppm2 8.722 ASSI { 3366} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "14 " and name "HN ")) 4.300 2.300 2.300 peak 3366 weight 0.10000E+01 volume 0.13770E+05 ppm1 0.516 ppm2 8.845 ASSI { 3367} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "9 " and name "HN ")) 3.900 1.900 1.900 peak 3367 weight 0.10000E+01 volume 0.21920E+05 ppm1 1.335 ppm2 8.250 ASSI { 3369} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "16 " and name "HN ")) 3.600 1.600 1.600 peak 3369 weight 0.10000E+01 volume 0.37980E+05 ppm1 1.609 ppm2 7.777 ASSI { 3371} (( segid " " and resid "36 " and name "HG3 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.200 1.300 1.300 peak 3371 weight 0.10000E+01 volume 0.71770E+05 ppm1 2.806 ppm2 7.462 OR { 3371} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) ASSI { 3373} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "38 " and name "HZ ")) 3.600 1.600 1.600 peak 3373 weight 0.10000E+01 volume 0.39610E+05 ppm1 0.255 ppm2 7.076 ASSI { 3378} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "14 " and name "HN ")) 2.900 1.100 1.100 peak 3378 weight 0.10000E+01 volume 0.15040E+06 ppm1 3.356 ppm2 8.843 ASSI { 3380} (( segid " " and resid "27 " and name "HA1 ")) (( segid " " and resid "30 " and name "HN ")) 4.100 2.100 2.100 peak 3380 weight 0.10000E+01 volume 0.18020E+05 ppm1 4.058 ppm2 8.133 ASSI { 3382} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "19 " and name "HN ")) 2.800 1.000 1.000 peak 3382 weight 0.10000E+01 volume 0.17010E+06 ppm1 4.077 ppm2 8.223 ASSI { 3383} (( segid " " and resid "27 " and name "HA2 ")) (( segid " " and resid "30 " and name "HN ")) 3.300 1.400 1.400 peak 3383 weight 0.10000E+01 volume 0.69820E+05 ppm1 3.716 ppm2 8.134 ASSI { 3384} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "52 " and name "HN ")) 2.900 1.100 1.100 peak 3384 weight 0.10000E+01 volume 0.14040E+06 ppm1 3.801 ppm2 8.348 ASSI { 3386} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "35 " and name "HN ")) 2.800 1.000 1.000 peak 3386 weight 0.10000E+01 volume 0.17800E+06 ppm1 4.234 ppm2 8.331 ASSI { 3387} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "28 " and name "HN ")) 4.700 2.800 2.300 peak 3387 weight 0.10000E+01 volume 0.72770E+04 ppm1 5.286 ppm2 7.780 ASSI { 3391} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "31 " and name "HN ")) 6.000 6.000 1.000 peak 3391 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.194 ppm2 7.679 ASSI { 3392} (( segid " " and resid "8 " and name "HA ")) (( segid " " and resid "11 " and name "HN ")) 3.200 1.300 1.300 peak 3392 weight 0.10000E+01 volume 0.79100E+05 ppm1 4.149 ppm2 7.992 ASSI { 3393} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "10 " and name "HN ")) 3.200 1.300 1.300 peak 3393 weight 0.10000E+01 volume 0.79800E+05 ppm1 4.134 ppm2 7.926 ASSI { 3394} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) 6.000 6.000 1.000 peak 3394 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.099 ppm2 7.645 ASSI { 3395} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "17 " and name "HN ")) 2.900 1.100 1.100 peak 3395 weight 0.10000E+01 volume 0.13640E+06 ppm1 3.857 ppm2 7.675 ASSI { 3397} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "46 " and name "HN ")) 2.800 1.000 1.000 peak 3397 weight 0.10000E+01 volume 0.18340E+06 ppm1 3.608 ppm2 7.849 ASSI { 3398} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "49 " and name "HN ")) 2.900 1.100 1.100 peak 3398 weight 0.10000E+01 volume 0.14050E+06 ppm1 3.431 ppm2 7.933 ASSI { 3399} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) 3.800 1.800 1.800 peak 3399 weight 0.10000E+01 volume 0.27610E+05 ppm1 4.025 ppm2 8.038 ASSI { 3400} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "32 " and name "HN ")) 2.900 1.100 1.100 peak 3400 weight 0.10000E+01 volume 0.14120E+06 ppm1 3.150 ppm2 7.761 ASSI { 3401} (( segid " " and resid "30 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) 6.000 6.000 1.000 peak 3401 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.203 ppm2 8.137 ASSI { 3405} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "36 " and name "HN ")) 2.700 0.900 0.900 peak 3405 weight 0.10000E+01 volume 0.19970E+06 ppm1 4.218 ppm2 7.386 ASSI { 3407} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "13 " and name "HN ")) 3.000 1.100 1.100 peak 3407 weight 0.10000E+01 volume 0.11240E+06 ppm1 3.302 ppm2 8.168 ASSI { 3408} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "26 " and name "HN ")) 2.500 0.800 0.800 peak 3408 weight 0.10000E+01 volume 0.36590E+06 ppm1 2.601 ppm2 9.629 OR { 3408} (( segid " " and resid "26 " and name "HG3 ")) (( segid " " and resid "26 " and name "HN ")) ASSI { 3410} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "29 " and name "HN ")) 3.200 1.300 1.300 peak 3410 weight 0.10000E+01 volume 0.80300E+05 ppm1 3.803 ppm2 7.260 ASSI { 3411} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "43 " and name "HE21")) 6.000 6.000 1.000 peak 3411 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.089 ppm2 7.635 ASSI { 3417} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "26 " and name "HE21")) 3.900 1.900 1.900 peak 3417 weight 0.10000E+01 volume 0.22850E+05 ppm1 1.929 ppm2 6.905 ASSI { 3420} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "26 " and name "HE21")) 2.600 0.800 0.800 peak 3420 weight 0.10000E+01 volume 0.28150E+06 ppm1 2.603 ppm2 6.905 OR { 3420} (( segid " " and resid "26 " and name "HG3 ")) (( segid " " and resid "26 " and name "HE21")) ASSI { 3422} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "26 " and name "HE21")) 5.000 3.100 2.000 peak 3422 weight 0.10000E+01 volume 0.55090E+04 ppm1 3.803 ppm2 6.906 ASSI { 3423} (( segid " " and resid "26 " and name "HE21")) (( segid " " and resid "26 " and name "HN ")) 3.800 1.800 1.800 peak 3423 weight 0.10000E+01 volume 0.27570E+05 ppm1 6.898 ppm2 9.627 ASSI { 46} (( segid " " and resid "2 " and name "HG2 ")) (( segid " " and resid "2 " and name "HA ")) 2.900 1.100 1.100 peak 46 weight 0.10000E+01 volume 0.10350E+05 ppm1 1.649 ppm2 4.432 OR { 46} (( segid " " and resid "2 " and name "HG3 ")) (( segid " " and resid "2 " and name "HA ")) ASSI { 53} (( segid " " and resid "2 " and name "HD2 ")) (( segid " " and resid "2 " and name "HA ")) 4.000 2.000 2.000 peak 53 weight 0.10000E+01 volume 0.15050E+04 ppm1 3.143 ppm2 4.432 OR { 53} (( segid " " and resid "2 " and name "HD3 ")) (( segid " " and resid "2 " and name "HA ")) ASSI { 140} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HA ")) 2.800 1.000 1.000 peak 140 weight 0.10000E+01 volume 0.10870E+05 ppm1 1.578 ppm2 4.346 ASSI { 148} (( segid " " and resid "6 " and name "HG3 ")) (( segid " " and resid "6 " and name "HA ")) 2.700 0.900 0.900 peak 148 weight 0.10000E+01 volume 0.13780E+05 ppm1 1.505 ppm2 4.346 ASSI { 149} (( segid " " and resid "6 " and name "HG3 ")) (( segid " " and resid "6 " and name "HB2 ")) 3.000 1.100 1.100 peak 149 weight 0.10000E+01 volume 0.85100E+04 ppm1 1.505 ppm2 2.021 ASSI { 164} (( segid " " and resid "6 " and name "HE3 ")) (( segid " " and resid "6 " and name "HA ")) 5.400 3.600 1.600 peak 164 weight 0.10000E+01 volume 0.23420E+03 ppm1 2.980 ppm2 4.346 OR { 164} (( segid " " and resid "6 " and name "HE2 ")) (( segid " " and resid "6 " and name "HA ")) ASSI { 257} (( segid " " and resid "9 " and name "HG2 ")) (( segid " " and resid "9 " and name "HA ")) 2.100 0.600 0.600 peak 257 weight 0.10000E+01 volume 0.66320E+05 ppm1 2.522 ppm2 4.198 OR { 257} (( segid " " and resid "9 " and name "HG3 ")) (( segid " " and resid "9 " and name "HA ")) ASSI { 276} (( segid " " and resid "10 " and name "HB2 ")) (( segid " " and resid "10 " and name "HA ")) 2.600 0.800 0.800 peak 276 weight 0.10000E+01 volume 0.17880E+05 ppm1 1.834 ppm2 3.301 ASSI { 280} (( segid " " and resid "10 " and name "HB2 ")) (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) 2.300 0.700 0.700 peak 280 weight 0.10000E+01 volume 0.35070E+05 ppm1 1.834 ppm2 0.748 ASSI { 283} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "10 " and name "HA ")) 2.200 0.600 0.600 peak 283 weight 0.10000E+01 volume 0.48400E+05 ppm1 1.337 ppm2 3.301 ASSI { 284} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "10 " and name "HB2 ")) 1.900 0.500 0.500 peak 284 weight 0.10000E+01 volume 0.13760E+06 ppm1 1.337 ppm2 1.834 ASSI { 287} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) 2.500 0.800 0.800 peak 287 weight 0.10000E+01 volume 0.21110E+05 ppm1 1.337 ppm2 0.748 ASSI { 290} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "10 " and name "HA ")) 2.600 0.800 0.800 peak 290 weight 0.10000E+01 volume 0.17310E+05 ppm1 1.091 ppm2 3.301 ASSI { 291} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "10 " and name "HB2 ")) 2.800 1.000 1.000 peak 291 weight 0.10000E+01 volume 0.11160E+05 ppm1 1.091 ppm2 1.834 ASSI { 297} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "10 " and name "HA ")) 3.400 1.400 1.400 peak 297 weight 0.10000E+01 volume 0.36260E+04 ppm1 0.748 ppm2 3.301 ASSI { 304} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "10 " and name "HA ")) 2.200 0.600 0.600 peak 304 weight 0.10000E+01 volume 0.49130E+05 ppm1 0.261 ppm2 3.301 ASSI { 305} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "10 " and name "HB2 ")) 2.700 0.900 0.900 peak 305 weight 0.10000E+01 volume 0.15040E+05 ppm1 0.261 ppm2 1.834 ASSI { 306} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "10 " and name "HB3 ")) 2.500 0.800 0.800 peak 306 weight 0.10000E+01 volume 0.25050E+05 ppm1 0.261 ppm2 1.337 ASSI { 307} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "10 " and name "HG ")) 2.200 0.600 0.600 peak 307 weight 0.10000E+01 volume 0.56140E+05 ppm1 0.261 ppm2 1.091 ASSI { 308} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) 2.000 0.500 0.500 peak 308 weight 0.10000E+01 volume 0.96740E+05 ppm1 0.261 ppm2 0.748 ASSI { 321} (( segid " " and resid "11 " and name "HB ")) (( segid " " and resid "11 " and name "HA ")) 2.700 0.900 0.900 peak 321 weight 0.10000E+01 volume 0.16430E+05 ppm1 2.121 ppm2 3.358 ASSI { 324} (( segid " " and resid "11 " and name "HB ")) (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) 2.100 0.600 0.600 peak 324 weight 0.10000E+01 volume 0.67170E+05 ppm1 2.121 ppm2 0.864 ASSI { 326} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "11 " and name "HA ")) 2.100 0.600 0.600 peak 326 weight 0.10000E+01 volume 0.58850E+05 ppm1 1.099 ppm2 3.358 ASSI { 327} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "11 " and name "HB ")) 2.100 0.600 0.600 peak 327 weight 0.10000E+01 volume 0.59100E+05 ppm1 1.099 ppm2 2.121 ASSI { 331} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "11 " and name "HA ")) 2.300 0.700 0.700 peak 331 weight 0.10000E+01 volume 0.38920E+05 ppm1 0.864 ppm2 3.358 ASSI { 352} (( segid " " and resid "12 " and name "HB2 ")) (( segid " " and resid "12 " and name "HA ")) 2.100 0.600 0.600 peak 352 weight 0.10000E+01 volume 0.58940E+05 ppm1 1.922 ppm2 3.902 OR { 352} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "12 " and name "HA ")) ASSI { 369} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "12 " and name "HB2 ")) 2.900 1.100 1.100 peak 369 weight 0.10000E+01 volume 0.10720E+05 ppm1 1.423 ppm2 1.922 OR { 369} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "12 " and name "HB3 ")) ASSI { 384} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "12 " and name "HA ")) 2.700 0.900 0.900 peak 384 weight 0.10000E+01 volume 0.15180E+05 ppm1 1.602 ppm2 3.902 ASSI { 420} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 4.000 2.000 2.000 peak 420 weight 0.10000E+01 volume 0.13590E+04 ppm1 3.860 ppm2 7.014 ASSI { 423} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "14 " and name "HA ")) 2.600 0.800 0.800 peak 423 weight 0.10000E+01 volume 0.20170E+05 ppm1 3.155 ppm2 3.860 ASSI { 427} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 4.000 2.000 2.000 peak 427 weight 0.10000E+01 volume 0.13510E+04 ppm1 3.155 ppm2 7.014 ASSI { 430} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "14 " and name "HA ")) 2.300 0.700 0.700 peak 430 weight 0.10000E+01 volume 0.44040E+05 ppm1 2.858 ppm2 3.860 ASSI { 435} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "14 " and name "HZ ")) 3.800 1.800 1.800 peak 435 weight 0.10000E+01 volume 0.17760E+04 ppm1 2.858 ppm2 6.956 ASSI { 474} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "15 " and name "HA ")) 2.400 0.700 0.700 peak 474 weight 0.10000E+01 volume 0.34040E+05 ppm1 1.847 ppm2 3.440 ASSI { 482} (( segid " " and resid "15 " and name "HB3 ")) (( segid " " and resid "15 " and name "HA ")) 2.400 0.700 0.700 peak 482 weight 0.10000E+01 volume 0.32390E+05 ppm1 1.742 ppm2 3.440 ASSI { 485} (( segid " " and resid "15 " and name "HB3 ")) (( segid " " and resid "15 " and name "HG3 ")) 3.600 1.600 1.600 peak 485 weight 0.10000E+01 volume 0.26910E+04 ppm1 1.742 ppm2 0.928 OR { 485} (( segid " " and resid "15 " and name "HB3 ")) (( segid " " and resid "15 " and name "HG2 ")) ASSI { 495} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "15 " and name "HE2 ")) 2.300 2.300 4.700 peak 495 weight 0.10000E+01 volume 0.37830E+05 ppm1 0.928 ppm2 2.566 OR { 495} (( segid " " and resid "15 " and name "HG3 ")) (( segid " " and resid "15 " and name "HE2 ")) ASSI { 496} (( segid " " and resid "15 " and name "HG3 ")) (( segid " " and resid "15 " and name "HE3 ")) 3.500 1.500 1.500 peak 496 weight 0.10000E+01 volume 0.30960E+04 ppm1 0.928 ppm2 2.423 OR { 496} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "15 " and name "HE3 ")) ASSI { 498} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "15 " and name "HA ")) 2.500 0.800 0.800 peak 498 weight 0.10000E+01 volume 0.25330E+05 ppm1 1.534 ppm2 3.440 OR { 498} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "15 " and name "HA ")) ASSI { 501} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "15 " and name "HG3 ")) 1.900 0.500 0.500 peak 501 weight 0.10000E+01 volume 0.11770E+06 ppm1 1.534 ppm2 0.928 OR { 501} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "15 " and name "HG2 ")) OR { 501} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "15 " and name "HG2 ")) ASSI { 504} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "15 " and name "HE3 ")) 2.400 0.700 0.700 peak 504 weight 0.10000E+01 volume 0.32150E+05 ppm1 1.534 ppm2 2.423 OR { 504} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "15 " and name "HE3 ")) ASSI { 528} (( segid " " and resid "16 " and name "HB2 ") OR ( segid " " and resid "16 " and name "HB3 ") OR ( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "16 " and name "HA ")) 2.100 0.600 0.600 peak 528 weight 0.10000E+01 volume 0.71770E+05 ppm1 1.531 ppm2 4.075 ASSI { 545} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HA ")) 2.700 0.900 0.900 peak 545 weight 0.10000E+01 volume 0.14280E+05 ppm1 1.828 ppm2 4.284 ASSI { 549} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) 2.800 1.000 1.000 peak 549 weight 0.10000E+01 volume 0.12830E+05 ppm1 1.828 ppm2 0.777 ASSI { 550} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) 2.300 0.700 0.700 peak 550 weight 0.10000E+01 volume 0.40560E+05 ppm1 1.828 ppm2 0.515 ASSI { 553} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "17 " and name "HB2 ")) 1.900 0.500 0.500 peak 553 weight 0.10000E+01 volume 0.13690E+06 ppm1 1.211 ppm2 1.828 ASSI { 555} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "17 " and name "HG ")) 3.100 1.200 1.200 peak 555 weight 0.10000E+01 volume 0.69280E+04 ppm1 1.211 ppm2 2.034 ASSI { 557} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) 3.400 1.400 1.400 peak 557 weight 0.10000E+01 volume 0.38450E+04 ppm1 1.211 ppm2 0.515 ASSI { 563} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) 2.200 0.600 0.600 peak 563 weight 0.10000E+01 volume 0.54110E+05 ppm1 2.034 ppm2 0.777 ASSI { 566} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "17 " and name "HA ")) 2.100 0.600 0.600 peak 566 weight 0.10000E+01 volume 0.60940E+05 ppm1 0.777 ppm2 4.284 ASSI { 568} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "17 " and name "HB3 ")) 2.400 0.700 0.700 peak 568 weight 0.10000E+01 volume 0.26740E+05 ppm1 0.777 ppm2 1.211 ASSI { 573} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "17 " and name "HA ")) 3.100 1.200 1.200 peak 573 weight 0.10000E+01 volume 0.64420E+04 ppm1 0.515 ppm2 4.284 ASSI { 576} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "17 " and name "HG ")) 2.100 0.600 0.600 peak 576 weight 0.10000E+01 volume 0.60130E+05 ppm1 0.515 ppm2 2.034 ASSI { 597} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "18 " and name "HG ")) 2.200 0.600 0.600 peak 597 weight 0.10000E+01 volume 0.48060E+05 ppm1 0.424 ppm2 1.285 ASSI { 604} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "18 " and name "HG ")) 2.100 0.600 0.600 peak 604 weight 0.10000E+01 volume 0.64810E+05 ppm1 0.492 ppm2 1.285 ASSI { 608} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "18 " and name "HA ")) 2.700 0.900 0.900 peak 608 weight 0.10000E+01 volume 0.13940E+05 ppm1 1.285 ppm2 3.994 ASSI { 612} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "18 " and name "HB2 ")) 2.800 1.000 1.000 peak 612 weight 0.10000E+01 volume 0.12190E+05 ppm1 1.285 ppm2 1.880 ASSI { 622} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "18 " and name "HA ")) 2.300 0.700 0.700 peak 622 weight 0.10000E+01 volume 0.35200E+05 ppm1 1.190 ppm2 3.994 ASSI { 623} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) 2.700 0.900 0.900 peak 623 weight 0.10000E+01 volume 0.15510E+05 ppm1 1.190 ppm2 0.424 ASSI { 624} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) 2.900 1.100 1.100 peak 624 weight 0.10000E+01 volume 0.95960E+04 ppm1 1.190 ppm2 0.492 ASSI { 626} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "18 " and name "HB2 ")) 2.000 0.500 0.500 peak 626 weight 0.10000E+01 volume 0.89930E+05 ppm1 1.190 ppm2 1.880 ASSI { 653} (( segid " " and resid "19 " and name "HB3 ")) (( segid " " and resid "19 " and name "HA ")) 2.400 0.700 0.700 peak 653 weight 0.10000E+01 volume 0.29790E+05 ppm1 1.933 ppm2 4.280 ASSI { 661} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "19 " and name "HA ")) 2.900 1.100 1.100 peak 661 weight 0.10000E+01 volume 0.91700E+04 ppm1 1.628 ppm2 4.280 ASSI { 669} (( segid " " and resid "19 " and name "HG3 ")) (( segid " " and resid "19 " and name "HA ")) 2.700 0.900 0.900 peak 669 weight 0.10000E+01 volume 0.16580E+05 ppm1 1.554 ppm2 4.280 ASSI { 677} (( segid " " and resid "19 " and name "HD2 ")) (( segid " " and resid "19 " and name "HA ")) 3.100 1.200 1.200 peak 677 weight 0.10000E+01 volume 0.67860E+04 ppm1 1.710 ppm2 4.280 OR { 677} (( segid " " and resid "19 " and name "HD3 ")) (( segid " " and resid "19 " and name "HA ")) ASSI { 685} (( segid " " and resid "19 " and name "HE2 ")) (( segid " " and resid "19 " and name "HA ")) 4.800 2.900 2.200 peak 685 weight 0.10000E+01 volume 0.46810E+03 ppm1 2.963 ppm2 4.280 OR { 685} (( segid " " and resid "19 " and name "HE3 ")) (( segid " " and resid "19 " and name "HA ")) ASSI { 703} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HA ")) 2.200 2.200 4.800 peak 703 weight 0.10000E+01 volume 0.49180E+05 ppm1 2.354 ppm2 4.090 ASSI { 708} (( segid " " and resid "20 " and name "HB3 ")) (( segid " " and resid "20 " and name "HA ")) 2.200 0.600 0.600 peak 708 weight 0.10000E+01 volume 0.45690E+05 ppm1 2.091 ppm2 4.090 ASSI { 711} (( segid " " and resid "20 " and name "HB3 ")) (( segid " " and resid "20 " and name "HG2 ")) 2.700 0.900 0.900 peak 711 weight 0.10000E+01 volume 0.14100E+05 ppm1 2.091 ppm2 2.812 OR { 711} (( segid " " and resid "20 " and name "HB3 ")) (( segid " " and resid "20 " and name "HG3 ")) ASSI { 713} (( segid " " and resid "20 " and name "HG3 ")) (( segid " " and resid "20 " and name "HA ")) 3.100 1.200 1.200 peak 713 weight 0.10000E+01 volume 0.63610E+04 ppm1 2.812 ppm2 4.090 OR { 713} (( segid " " and resid "20 " and name "HG2 ")) (( segid " " and resid "20 " and name "HA ")) ASSI { 736} (( segid " " and resid "21 " and name "HB3 ")) (( segid " " and resid "21 " and name "HA ")) 2.500 0.800 0.800 peak 736 weight 0.10000E+01 volume 0.23480E+05 ppm1 1.976 ppm2 3.974 ASSI { 742} (( segid " " and resid "21 " and name "HG2 ")) (( segid " " and resid "21 " and name "HA ")) 2.800 1.000 1.000 peak 742 weight 0.10000E+01 volume 0.11220E+05 ppm1 2.428 ppm2 3.974 ASSI { 770} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "22 " and name "HA ")) 2.300 0.700 0.700 peak 770 weight 0.10000E+01 volume 0.43910E+05 ppm1 1.297 ppm2 4.513 ASSI { 773} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "22 " and name "HG2 ")) 3.700 1.700 1.700 peak 773 weight 0.10000E+01 volume 0.20920E+04 ppm1 1.297 ppm2 0.634 ASSI { 778} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "22 " and name "HA ")) 2.500 0.800 0.800 peak 778 weight 0.10000E+01 volume 0.23560E+05 ppm1 1.094 ppm2 4.513 ASSI { 784} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "22 " and name "HE3 ")) 3.900 1.900 1.900 peak 784 weight 0.10000E+01 volume 0.15510E+04 ppm1 1.094 ppm2 2.696 OR { 784} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "22 " and name "HE2 ")) ASSI { 786} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "22 " and name "HA ")) 2.800 1.000 1.000 peak 786 weight 0.10000E+01 volume 0.11290E+05 ppm1 0.634 ppm2 4.513 ASSI { 788} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "22 " and name "HB3 ")) 2.300 0.700 0.700 peak 788 weight 0.10000E+01 volume 0.39560E+05 ppm1 0.634 ppm2 1.094 ASSI { 792} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "22 " and name "HE2 ")) 2.800 1.000 1.000 peak 792 weight 0.10000E+01 volume 0.11830E+05 ppm1 0.634 ppm2 2.696 OR { 792} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "22 " and name "HE3 ")) ASSI { 794} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "22 " and name "HA ")) 2.900 1.100 1.100 peak 794 weight 0.10000E+01 volume 0.90020E+04 ppm1 0.581 ppm2 4.513 ASSI { 796} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "22 " and name "HB3 ")) 2.600 0.800 0.800 peak 796 weight 0.10000E+01 volume 0.20860E+05 ppm1 0.581 ppm2 1.094 ASSI { 800} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "22 " and name "HE3 ")) 3.100 1.200 1.200 peak 800 weight 0.10000E+01 volume 0.66040E+04 ppm1 0.581 ppm2 2.696 OR { 800} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "22 " and name "HE2 ")) ASSI { 802} (( segid " " and resid "22 " and name "HD2 ")) (( segid " " and resid "22 " and name "HA ")) 3.300 1.400 1.400 peak 802 weight 0.10000E+01 volume 0.47100E+04 ppm1 1.376 ppm2 4.513 OR { 802} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "22 " and name "HA ")) ASSI { 805} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "22 " and name "HG2 ")) 3.200 1.300 1.300 peak 805 weight 0.10000E+01 volume 0.51190E+04 ppm1 1.376 ppm2 0.634 OR { 805} (( segid " " and resid "22 " and name "HD2 ")) (( segid " " and resid "22 " and name "HG2 ")) ASSI { 806} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "22 " and name "HG3 ")) 2.700 0.900 0.900 peak 806 weight 0.10000E+01 volume 0.13410E+05 ppm1 1.376 ppm2 0.581 OR { 806} (( segid " " and resid "22 " and name "HD2 ")) (( segid " " and resid "22 " and name "HG3 ")) ASSI { 810} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "22 " and name "HA ")) 3.800 1.800 1.800 peak 810 weight 0.10000E+01 volume 0.20390E+04 ppm1 2.696 ppm2 4.513 OR { 810} (( segid " " and resid "22 " and name "HE2 ")) (( segid " " and resid "22 " and name "HA ")) ASSI { 826} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "23 " and name "HB2 ")) 2.400 0.700 0.700 peak 826 weight 0.10000E+01 volume 0.28970E+05 ppm1 4.745 ppm2 3.054 ASSI { 827} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "23 " and name "HB3 ")) 4.500 2.500 2.500 peak 827 weight 0.10000E+01 volume 0.65590E+03 ppm1 4.745 ppm2 2.389 ASSI { 828} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 2.300 0.700 0.700 peak 828 weight 0.10000E+01 volume 0.34330E+05 ppm1 4.745 ppm2 7.279 ASSI { 829} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.600 1.600 1.600 peak 829 weight 0.10000E+01 volume 0.26150E+04 ppm1 4.745 ppm2 7.414 ASSI { 830} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "23 " and name "HZ ")) 5.100 3.300 1.900 peak 830 weight 0.10000E+01 volume 0.34300E+03 ppm1 4.745 ppm2 7.357 ASSI { 835} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 2.100 0.600 0.600 peak 835 weight 0.10000E+01 volume 0.73760E+05 ppm1 3.054 ppm2 7.279 ASSI { 836} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.700 1.700 1.700 peak 836 weight 0.10000E+01 volume 0.22960E+04 ppm1 3.054 ppm2 7.414 ASSI { 837} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "23 " and name "HZ ")) 4.800 2.900 2.200 peak 837 weight 0.10000E+01 volume 0.50210E+03 ppm1 3.054 ppm2 7.357 ASSI { 842} (( segid " " and resid "23 " and name "HB3 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 2.400 0.700 0.700 peak 842 weight 0.10000E+01 volume 0.30180E+05 ppm1 2.389 ppm2 7.279 ASSI { 843} (( segid " " and resid "23 " and name "HB3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.400 1.400 1.400 peak 843 weight 0.10000E+01 volume 0.36280E+04 ppm1 2.389 ppm2 7.414 ASSI { 850} (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 1.900 0.500 0.500 peak 850 weight 0.10000E+01 volume 0.13960E+06 ppm1 7.279 ppm2 7.414 ASSI { 872} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "24 " and name "HB2 ")) 2.400 0.700 0.700 peak 872 weight 0.10000E+01 volume 0.27800E+05 ppm1 4.794 ppm2 4.071 ASSI { 873} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "24 " and name "HB3 ")) 2.400 0.700 0.700 peak 873 weight 0.10000E+01 volume 0.28890E+05 ppm1 4.794 ppm2 3.941 ASSI { 891} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "25 " and name "HA ")) 2.200 0.600 0.600 peak 891 weight 0.10000E+01 volume 0.45990E+05 ppm1 4.316 ppm2 5.284 ASSI { 895} (( segid " " and resid "25 " and name "HB3 ")) (( segid " " and resid "25 " and name "HA ")) 2.300 0.700 0.700 peak 895 weight 0.10000E+01 volume 0.40270E+05 ppm1 3.975 ppm2 5.284 ASSI { 912} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "26 " and name "HA ")) 2.400 0.700 0.700 peak 912 weight 0.10000E+01 volume 0.32500E+05 ppm1 2.086 ppm2 3.802 ASSI { 917} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "26 " and name "HA ")) 2.300 0.700 0.700 peak 917 weight 0.10000E+01 volume 0.43180E+05 ppm1 1.933 ppm2 3.802 ASSI { 930} (( segid " " and resid "27 " and name "HA2 ")) (( segid " " and resid "27 " and name "HA1 ")) 1.700 0.400 0.500 peak 930 weight 0.10000E+01 volume 0.22060E+06 ppm1 3.714 ppm2 4.056 ASSI { 943} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "28 " and name "HA ")) 2.100 2.100 4.900 peak 943 weight 0.10000E+01 volume 0.66320E+05 ppm1 2.489 ppm2 4.187 ASSI { 953} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "28 " and name "HA ")) 4.100 2.100 2.100 peak 953 weight 0.10000E+01 volume 0.11700E+04 ppm1 2.596 ppm2 4.187 OR { 953} (( segid " " and resid "28 " and name "HG3 ")) (( segid " " and resid "28 " and name "HA ")) ASSI { 972} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) 2.300 0.700 0.700 peak 972 weight 0.10000E+01 volume 0.40260E+05 ppm1 1.959 ppm2 0.519 ASSI { 976} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "29 " and name "HA ")) 2.600 0.800 0.800 peak 976 weight 0.10000E+01 volume 0.20790E+05 ppm1 0.519 ppm2 3.150 ASSI { 982} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "29 " and name "HA ")) 2.300 0.700 0.700 peak 982 weight 0.10000E+01 volume 0.37570E+05 ppm1 0.702 ppm2 3.150 OR { 982} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "29 " and name "HA ")) ASSI { 988} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "29 " and name "HA ")) 2.400 2.400 4.600 peak 988 weight 0.10000E+01 volume 0.31020E+05 ppm1 0.416 ppm2 3.150 ASSI { 1009} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "30 " and name "HA ")) 2.200 0.600 0.600 peak 1009 weight 0.10000E+01 volume 0.48530E+05 ppm1 0.846 ppm2 3.211 ASSI { 1010} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "30 " and name "HB ")) 2.200 0.600 0.600 peak 1010 weight 0.10000E+01 volume 0.58090E+05 ppm1 0.846 ppm2 2.232 ASSI { 1014} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "30 " and name "HA ")) 2.300 0.700 0.700 peak 1014 weight 0.10000E+01 volume 0.38550E+05 ppm1 0.803 ppm2 3.211 ASSI { 1015} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "30 " and name "HB ")) 2.100 0.600 0.600 peak 1015 weight 0.10000E+01 volume 0.69110E+05 ppm1 0.803 ppm2 2.232 ASSI { 1051} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "33 " and name "HA ")) 2.100 0.600 0.600 peak 1051 weight 0.10000E+01 volume 0.69180E+05 ppm1 0.580 ppm2 4.223 ASSI { 1053} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "33 " and name "HG ")) 2.100 0.600 0.600 peak 1053 weight 0.10000E+01 volume 0.59660E+05 ppm1 0.580 ppm2 1.741 ASSI { 1055} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "33 " and name "HB2 ")) 2.600 0.800 0.800 peak 1055 weight 0.10000E+01 volume 0.18350E+05 ppm1 0.580 ppm2 2.025 ASSI { 1058} (( segid " " and resid "33 " and name "HG ")) (( segid " " and resid "33 " and name "HA ")) 2.500 0.800 0.800 peak 1058 weight 0.10000E+01 volume 0.24960E+05 ppm1 1.741 ppm2 4.223 ASSI { 1061} (( segid " " and resid "33 " and name "HG ")) (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) 2.300 0.700 0.700 peak 1061 weight 0.10000E+01 volume 0.36540E+05 ppm1 1.741 ppm2 0.674 ASSI { 1065} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "33 " and name "HA ")) 3.100 1.200 1.200 peak 1065 weight 0.10000E+01 volume 0.71410E+04 ppm1 0.674 ppm2 4.223 ASSI { 1072} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "33 " and name "HA ")) 2.600 0.800 0.800 peak 1072 weight 0.10000E+01 volume 0.20900E+05 ppm1 2.025 ppm2 4.223 ASSI { 1075} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) 2.400 0.700 0.700 peak 1075 weight 0.10000E+01 volume 0.32820E+05 ppm1 2.025 ppm2 0.674 ASSI { 1079} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "33 " and name "HA ")) 2.600 0.800 0.800 peak 1079 weight 0.10000E+01 volume 0.20750E+05 ppm1 1.269 ppm2 4.223 ASSI { 1082} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) 2.900 1.100 1.100 peak 1082 weight 0.10000E+01 volume 0.95060E+04 ppm1 1.269 ppm2 0.674 ASSI { 1083} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "33 " and name "HB2 ")) 2.100 0.600 0.600 peak 1083 weight 0.10000E+01 volume 0.75670E+05 ppm1 1.269 ppm2 2.025 ASSI { 1110} (( segid " " and resid "34 " and name "HB3 ")) (( segid " " and resid "34 " and name "HA ")) 2.500 0.800 0.800 peak 1110 weight 0.10000E+01 volume 0.23130E+05 ppm1 2.040 ppm2 4.141 ASSI { 1180} (( segid " " and resid "35 " and name "HG3 ")) (( segid " " and resid "35 " and name "HA ")) 2.800 1.000 1.000 peak 1180 weight 0.10000E+01 volume 0.12070E+05 ppm1 2.431 ppm2 4.111 ASSI { 1200} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HA ")) 2.000 0.500 0.500 peak 1200 weight 0.10000E+01 volume 0.83060E+05 ppm1 2.472 ppm2 4.284 ASSI { 1207} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "36 " and name "HA ")) 2.500 0.800 0.800 peak 1207 weight 0.10000E+01 volume 0.22150E+05 ppm1 2.236 ppm2 4.284 ASSI { 1210} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "36 " and name "HG3 ")) 2.300 0.700 0.700 peak 1210 weight 0.10000E+01 volume 0.37220E+05 ppm1 2.236 ppm2 2.804 OR { 1210} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "36 " and name "HG2 ")) ASSI { 1214} (( segid " " and resid "36 " and name "HG3 ")) (( segid " " and resid "36 " and name "HA ")) 2.400 0.700 0.700 peak 1214 weight 0.10000E+01 volume 0.28030E+05 ppm1 2.804 ppm2 4.284 OR { 1214} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "36 " and name "HA ")) ASSI { 1241} (( segid " " and resid "37 " and name "HA2 ")) (( segid " " and resid "37 " and name "HA1 ")) 1.800 0.400 0.400 peak 1241 weight 0.10000E+01 volume 0.18870E+06 ppm1 3.631 ppm2 4.093 ASSI { 1258} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "38 " and name "HA ")) 2.200 0.600 0.600 peak 1258 weight 0.10000E+01 volume 0.44980E+05 ppm1 3.007 ppm2 4.536 ASSI { 1263} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "38 " and name "HZ ")) 4.500 2.500 2.500 peak 1263 weight 0.10000E+01 volume 0.72900E+03 ppm1 3.007 ppm2 7.069 ASSI { 1265} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "38 " and name "HA ")) 2.600 0.800 0.800 peak 1265 weight 0.10000E+01 volume 0.20500E+05 ppm1 2.591 ppm2 4.536 ASSI { 1266} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "38 " and name "HB2 ")) 1.800 0.400 0.400 peak 1266 weight 0.10000E+01 volume 0.19610E+06 ppm1 2.591 ppm2 3.007 ASSI { 1269} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 3.500 1.500 1.500 peak 1269 weight 0.10000E+01 volume 0.31800E+04 ppm1 2.591 ppm2 7.257 ASSI { 1270} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "38 " and name "HZ ")) 6.100 4.700 0.900 peak 1270 weight 0.10000E+01 volume 0.11570E+03 ppm1 2.591 ppm2 7.069 ASSI { 1290} (( segid " " and resid "38 " and name "HZ ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 1.800 0.400 0.400 peak 1290 weight 0.10000E+01 volume 0.15050E+06 ppm1 7.069 ppm2 7.257 ASSI { 1301} (( segid " " and resid "39 " and name "HB2 ")) (( segid " " and resid "39 " and name "HA ")) 2.800 1.000 1.000 peak 1301 weight 0.10000E+01 volume 0.11540E+05 ppm1 2.681 ppm2 4.606 ASSI { 1305} (( segid " " and resid "39 " and name "HB3 ")) (( segid " " and resid "39 " and name "HA ")) 2.200 0.600 0.600 peak 1305 weight 0.10000E+01 volume 0.46140E+05 ppm1 2.647 ppm2 4.606 ASSI { 1321} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HA ")) 2.400 0.700 0.700 peak 1321 weight 0.10000E+01 volume 0.30530E+05 ppm1 2.868 ppm2 4.532 ASSI { 1327} (( segid " " and resid "40 " and name "HB3 ")) (( segid " " and resid "40 " and name "HA ")) 2.300 0.700 0.700 peak 1327 weight 0.10000E+01 volume 0.37120E+05 ppm1 2.820 ppm2 4.532 ASSI { 1359} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "41 " and name "HA ")) 2.500 0.800 0.800 peak 1359 weight 0.10000E+01 volume 0.25050E+05 ppm1 1.976 ppm2 4.143 ASSI { 1361} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 2.200 0.600 0.600 peak 1361 weight 0.10000E+01 volume 0.54620E+05 ppm1 1.976 ppm2 0.926 ASSI { 1366} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "41 " and name "HA ")) 2.500 0.800 0.800 peak 1366 weight 0.10000E+01 volume 0.21950E+05 ppm1 0.926 ppm2 4.143 ASSI { 1374} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "41 " and name "HB ")) 2.800 1.000 1.000 peak 1374 weight 0.10000E+01 volume 0.11210E+05 ppm1 1.441 ppm2 1.976 ASSI { 1375} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 3.000 1.100 1.100 peak 1375 weight 0.10000E+01 volume 0.72960E+04 ppm1 1.441 ppm2 0.926 ASSI { 1378} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) 2.700 0.900 0.900 peak 1378 weight 0.10000E+01 volume 0.14360E+05 ppm1 1.441 ppm2 0.725 ASSI { 1380} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "41 " and name "HA ")) 3.500 1.500 1.500 peak 1380 weight 0.10000E+01 volume 0.33610E+04 ppm1 1.165 ppm2 4.143 ASSI { 1381} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "41 " and name "HB ")) 2.900 1.100 1.100 peak 1381 weight 0.10000E+01 volume 0.10240E+05 ppm1 1.165 ppm2 1.976 ASSI { 1387} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "41 " and name "HA ")) 2.200 0.600 0.600 peak 1387 weight 0.10000E+01 volume 0.56260E+05 ppm1 0.725 ppm2 4.143 ASSI { 1391} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "41 " and name "HG13")) 2.300 0.700 0.700 peak 1391 weight 0.10000E+01 volume 0.42930E+05 ppm1 0.725 ppm2 1.165 ASSI { 1401} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "42 " and name "HB2 ")) 2.200 0.600 0.600 peak 1401 weight 0.10000E+01 volume 0.50390E+05 ppm1 4.723 ppm2 3.215 ASSI { 1402} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "42 " and name "HB3 ")) 2.000 0.500 0.500 peak 1402 weight 0.10000E+01 volume 0.86020E+05 ppm1 4.723 ppm2 3.020 ASSI { 1446} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "43 " and name "HA ")) 2.500 0.800 0.800 peak 1446 weight 0.10000E+01 volume 0.22240E+05 ppm1 2.154 ppm2 3.608 ASSI { 1454} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "43 " and name "HA ")) 2.200 0.600 0.600 peak 1454 weight 0.10000E+01 volume 0.51130E+05 ppm1 2.080 ppm2 3.608 ASSI { 1462} (( segid " " and resid "43 " and name "HG2 ")) (( segid " " and resid "43 " and name "HA ")) 2.900 1.100 1.100 peak 1462 weight 0.10000E+01 volume 0.10350E+05 ppm1 2.419 ppm2 3.608 ASSI { 1470} (( segid " " and resid "43 " and name "HG3 ")) (( segid " " and resid "43 " and name "HA ")) 2.700 0.900 0.900 peak 1470 weight 0.10000E+01 volume 0.13940E+05 ppm1 2.290 ppm2 3.608 ASSI { 1502} (( segid " " and resid "44 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 2.100 0.600 0.600 peak 1502 weight 0.10000E+01 volume 0.67280E+05 ppm1 3.921 ppm2 4.170 ASSI { 1506} (( segid " " and resid "44 " and name "HB3 ")) (( segid " " and resid "44 " and name "HA ")) 2.200 2.200 4.800 peak 1506 weight 0.10000E+01 volume 0.46080E+05 ppm1 3.871 ppm2 4.170 ASSI { 1524} (( segid " " and resid "45 " and name "HB3 ")) (( segid " " and resid "45 " and name "HA ")) 2.100 0.600 0.600 peak 1524 weight 0.10000E+01 volume 0.67460E+05 ppm1 1.829 ppm2 3.999 OR { 1524} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "45 " and name "HA ")) ASSI { 1531} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "45 " and name "HA ")) 2.800 1.000 1.000 peak 1531 weight 0.10000E+01 volume 0.11230E+05 ppm1 1.591 ppm2 3.999 ASSI { 1538} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "45 " and name "HA ")) 2.700 0.900 0.900 peak 1538 weight 0.10000E+01 volume 0.16570E+05 ppm1 1.405 ppm2 3.999 ASSI { 1545} (( segid " " and resid "45 " and name "HD2 ")) (( segid " " and resid "45 " and name "HA ")) 3.000 1.100 1.100 peak 1545 weight 0.10000E+01 volume 0.79520E+04 ppm1 1.682 ppm2 3.999 OR { 1545} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "45 " and name "HA ")) ASSI { 1571} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) 2.100 0.600 0.600 peak 1571 weight 0.10000E+01 volume 0.73220E+05 ppm1 2.056 ppm2 0.950 ASSI { 1588} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "47 " and name "HB3 ")) 3.700 1.700 1.700 peak 1588 weight 0.10000E+01 volume 0.21140E+04 ppm1 4.823 ppm2 4.083 OR { 1588} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "47 " and name "HB2 ")) ASSI { 1611} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "48 " and name "HA ")) 2.500 0.800 0.800 peak 1611 weight 0.10000E+01 volume 0.25910E+05 ppm1 1.931 ppm2 4.095 ASSI { 1616} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "48 " and name "HD2 ")) 3.300 1.400 1.400 peak 1616 weight 0.10000E+01 volume 0.42960E+04 ppm1 1.931 ppm2 3.207 ASSI { 1620} (( segid " " and resid "48 " and name "HB3 ")) (( segid " " and resid "48 " and name "HA ")) 2.400 0.700 0.700 peak 1620 weight 0.10000E+01 volume 0.30560E+05 ppm1 1.856 ppm2 4.095 ASSI { 1629} (( segid " " and resid "48 " and name "HG2 ")) (( segid " " and resid "48 " and name "HA ")) 2.600 0.800 0.800 peak 1629 weight 0.10000E+01 volume 0.16850E+05 ppm1 1.794 ppm2 4.095 ASSI { 1638} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HA ")) 2.700 0.900 0.900 peak 1638 weight 0.10000E+01 volume 0.16520E+05 ppm1 1.649 ppm2 4.095 ASSI { 1643} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HD2 ")) 2.900 1.100 1.100 peak 1643 weight 0.10000E+01 volume 0.96780E+04 ppm1 1.649 ppm2 3.207 ASSI { 1686} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "49 " and name "HA ")) 2.400 0.700 0.700 peak 1686 weight 0.10000E+01 volume 0.33890E+05 ppm1 1.475 ppm2 3.803 ASSI { 1689} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "49 " and name "HG2 ")) 2.400 0.700 0.700 peak 1689 weight 0.10000E+01 volume 0.26780E+05 ppm1 1.475 ppm2 2.570 ASSI { 1695} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "49 " and name "HG2 ")) 2.700 0.900 0.900 peak 1695 weight 0.10000E+01 volume 0.14110E+05 ppm1 1.057 ppm2 2.570 ASSI { 1698} (( segid " " and resid "49 " and name "HG2 ")) (( segid " " and resid "49 " and name "HA ")) 2.500 0.800 0.800 peak 1698 weight 0.10000E+01 volume 0.23270E+05 ppm1 2.570 ppm2 3.803 ASSI { 1704} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "49 " and name "HA ")) 2.300 0.700 0.700 peak 1704 weight 0.10000E+01 volume 0.38310E+05 ppm1 2.052 ppm2 3.803 ASSI { 1706} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "49 " and name "HB3 ")) 2.400 0.700 0.700 peak 1706 weight 0.10000E+01 volume 0.28170E+05 ppm1 2.052 ppm2 1.057 ASSI { 1722} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "50 " and name "HA ")) 2.700 0.900 0.900 peak 1722 weight 0.10000E+01 volume 0.14930E+05 ppm1 2.162 ppm2 4.024 ASSI { 1728} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "50 " and name "HA ")) 2.400 0.700 0.700 peak 1728 weight 0.10000E+01 volume 0.31100E+05 ppm1 1.420 ppm2 4.024 ASSI { 1729} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "50 " and name "HB2 ")) 1.800 0.400 0.400 peak 1729 weight 0.10000E+01 volume 0.19070E+06 ppm1 1.420 ppm2 2.162 ASSI { 1731} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "50 " and name "HG ")) 2.900 1.100 1.100 peak 1731 weight 0.10000E+01 volume 0.10440E+05 ppm1 1.420 ppm2 1.890 ASSI { 1732} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) 2.100 0.600 0.600 peak 1732 weight 0.10000E+01 volume 0.61570E+05 ppm1 1.420 ppm2 0.452 ASSI { 1758} (( segid " " and resid "51 " and name "HG21") OR ( segid " " and resid "51 " and name "HG23") OR ( segid " " and resid "51 " and name "HG22")) (( segid " " and resid "51 " and name "HA ")) 2.300 0.700 0.700 peak 1758 weight 0.10000E+01 volume 0.41830E+05 ppm1 1.255 ppm2 4.097 ASSI { 1759} (( segid " " and resid "51 " and name "HG21") OR ( segid " " and resid "51 " and name "HG23") OR ( segid " " and resid "51 " and name "HG22")) (( segid " " and resid "51 " and name "HB ")) 2.100 0.600 0.600 peak 1759 weight 0.10000E+01 volume 0.63410E+05 ppm1 1.255 ppm2 4.169 ASSI { 1783} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "52 " and name "HG2 ")) 2.900 1.100 1.100 peak 1783 weight 0.10000E+01 volume 0.96980E+04 ppm1 1.718 ppm2 1.007 ASSI { 1784} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "52 " and name "HG3 ")) 3.100 1.200 1.200 peak 1784 weight 0.10000E+01 volume 0.67620E+04 ppm1 1.718 ppm2 0.710 ASSI { 1798} (( segid " " and resid "52 " and name "HG2 ")) (( segid " " and resid "52 " and name "HA ")) 2.600 0.800 0.800 peak 1798 weight 0.10000E+01 volume 0.20660E+05 ppm1 1.007 ppm2 3.884 ASSI { 1805} (( segid " " and resid "52 " and name "HG2 ")) (( segid " " and resid "52 " and name "HE3 ")) 3.400 1.400 1.400 peak 1805 weight 0.10000E+01 volume 0.38480E+04 ppm1 1.007 ppm2 2.697 ASSI { 1807} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "52 " and name "HA ")) 3.000 1.100 1.100 peak 1807 weight 0.10000E+01 volume 0.83420E+04 ppm1 0.710 ppm2 3.884 ASSI { 1825} (( segid " " and resid "51 " and name "HG21") OR ( segid " " and resid "51 " and name "HG23") OR ( segid " " and resid "51 " and name "HG22")) (( segid " " and resid "52 " and name "HA ")) 3.200 1.300 1.300 peak 1825 weight 0.10000E+01 volume 0.53150E+04 ppm1 1.255 ppm2 3.884 ASSI { 1854} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 4.200 2.200 2.200 peak 1854 weight 0.10000E+01 volume 0.10490E+04 ppm1 4.569 ppm2 7.228 ASSI { 1857} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "53 " and name "HA ")) 2.300 0.700 0.700 peak 1857 weight 0.10000E+01 volume 0.35600E+05 ppm1 3.480 ppm2 4.569 ASSI { 1864} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "53 " and name "HA ")) 2.600 0.800 0.800 peak 1864 weight 0.10000E+01 volume 0.19710E+05 ppm1 2.878 ppm2 4.569 ASSI { 1865} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "53 " and name "HB2 ")) 1.700 0.400 0.500 peak 1865 weight 0.10000E+01 volume 0.22420E+06 ppm1 2.878 ppm2 3.480 ASSI { 1881} (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 1.900 0.500 0.500 peak 1881 weight 0.10000E+01 volume 0.13410E+06 ppm1 7.228 ppm2 7.513 ASSI { 1883} (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) (( segid " " and resid "53 " and name "HZ ")) 2.100 0.600 0.600 peak 1883 weight 0.10000E+01 volume 0.68880E+05 ppm1 7.228 ppm2 7.340 ASSI { 1907} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "55 " and name "HA ")) 2.000 0.500 0.500 peak 1907 weight 0.10000E+01 volume 0.88460E+05 ppm1 1.460 ppm2 4.588 ASSI { 1920} (( segid " " and resid "56 " and name "HB ")) (( segid " " and resid "56 " and name "HA ")) 2.200 0.600 0.600 peak 1920 weight 0.10000E+01 volume 0.49110E+05 ppm1 2.136 ppm2 4.681 ASSI { 1922} (( segid " " and resid "56 " and name "HB ")) (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) 2.400 0.700 0.700 peak 1922 weight 0.10000E+01 volume 0.29430E+05 ppm1 2.136 ppm2 0.978 ASSI { 1925} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "56 " and name "HA ")) 2.300 0.700 0.700 peak 1925 weight 0.10000E+01 volume 0.41050E+05 ppm1 0.978 ppm2 4.681 ASSI { 1930} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "56 " and name "HA ")) 2.800 1.000 1.000 peak 1930 weight 0.10000E+01 volume 0.12070E+05 ppm1 0.766 ppm2 4.681 ASSI { 1931} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "56 " and name "HB ")) 2.200 0.600 0.600 peak 1931 weight 0.10000E+01 volume 0.53470E+05 ppm1 0.766 ppm2 2.136 ASSI { 1955} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HA ")) 2.800 1.000 1.000 peak 1955 weight 0.10000E+01 volume 0.12940E+05 ppm1 1.378 ppm2 5.094 ASSI { 1965} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "57 " and name "HA ")) 2.400 0.700 0.700 peak 1965 weight 0.10000E+01 volume 0.32180E+05 ppm1 1.341 ppm2 5.094 ASSI { 1975} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "57 " and name "HA ")) 2.900 1.100 1.100 peak 1975 weight 0.10000E+01 volume 0.93350E+04 ppm1 1.055 ppm2 5.094 ASSI { 1980} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "57 " and name "HD2 ")) 2.900 1.100 1.100 peak 1980 weight 0.10000E+01 volume 0.94560E+04 ppm1 1.055 ppm2 2.789 ASSI { 1981} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "57 " and name "HD3 ")) 2.800 1.000 1.000 peak 1981 weight 0.10000E+01 volume 0.12700E+05 ppm1 1.055 ppm2 2.677 ASSI { 1985} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HA ")) 2.600 0.800 0.800 peak 1985 weight 0.10000E+01 volume 0.16720E+05 ppm1 0.706 ppm2 5.094 ASSI { 1990} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HD2 ")) 2.800 1.000 1.000 peak 1990 weight 0.10000E+01 volume 0.11750E+05 ppm1 0.706 ppm2 2.789 ASSI { 1995} (( segid " " and resid "57 " and name "HD2 ")) (( segid " " and resid "57 " and name "HA ")) 3.500 1.500 1.500 peak 1995 weight 0.10000E+01 volume 0.29020E+04 ppm1 2.789 ppm2 5.094 ASSI { 2005} (( segid " " and resid "57 " and name "HD3 ")) (( segid " " and resid "57 " and name "HA ")) 3.000 3.000 4.000 peak 2005 weight 0.10000E+01 volume 0.81510E+04 ppm1 2.677 ppm2 5.094 ASSI { 2047} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "58 " and name "HA ")) 2.600 0.800 0.800 peak 2047 weight 0.10000E+01 volume 0.16960E+05 ppm1 1.013 ppm2 4.498 ASSI { 2048} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "58 " and name "HB ")) 2.300 0.700 0.700 peak 2048 weight 0.10000E+01 volume 0.43600E+05 ppm1 1.013 ppm2 3.954 ASSI { 2059} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HB2 ")) 2.500 0.800 0.800 peak 2059 weight 0.10000E+01 volume 0.25950E+05 ppm1 4.899 ppm2 1.710 ASSI { 2060} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HB3 ")) 2.600 0.800 0.800 peak 2060 weight 0.10000E+01 volume 0.17500E+05 ppm1 4.899 ppm2 1.760 ASSI { 2061} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HG3 ")) 2.400 0.700 0.700 peak 2061 weight 0.10000E+01 volume 0.26820E+05 ppm1 4.899 ppm2 1.586 OR { 2061} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HG2 ")) ASSI { 2062} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HD2 ")) 3.000 1.100 1.100 peak 2062 weight 0.10000E+01 volume 0.87460E+04 ppm1 4.899 ppm2 3.043 OR { 2062} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HD3 ")) ASSI { 2107} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "60 " and name "HB2 ")) 2.100 0.600 0.600 peak 2107 weight 0.10000E+01 volume 0.64070E+05 ppm1 4.849 ppm2 3.717 ASSI { 2108} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "60 " and name "HB3 ")) 2.200 0.600 0.600 peak 2108 weight 0.10000E+01 volume 0.54470E+05 ppm1 4.849 ppm2 2.806 ASSI { 2119} (( segid " " and resid "60 " and name "HB3 ")) (( segid " " and resid "60 " and name "HB2 ")) 1.700 0.400 0.500 peak 2119 weight 0.10000E+01 volume 0.22570E+06 ppm1 2.806 ppm2 3.717 ASSI { 2166} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "62 " and name "HA ")) 2.400 0.700 0.700 peak 2166 weight 0.10000E+01 volume 0.31090E+05 ppm1 1.651 ppm2 4.332 ASSI { 2173} (( segid " " and resid "62 " and name "HG2 ")) (( segid " " and resid "62 " and name "HA ")) 2.700 0.900 0.900 peak 2173 weight 0.10000E+01 volume 0.15920E+05 ppm1 1.444 ppm2 4.332 OR { 2173} (( segid " " and resid "62 " and name "HG3 ")) (( segid " " and resid "62 " and name "HA ")) ASSI { 2181} (( segid " " and resid "62 " and name "HD2 ")) (( segid " " and resid "62 " and name "HB2 ")) 3.700 1.700 1.700 peak 2181 weight 0.10000E+01 volume 0.23220E+04 ppm1 1.399 ppm2 2.055 OR { 2181} (( segid " " and resid "62 " and name "HD3 ")) (( segid " " and resid "62 " and name "HB2 ")) ASSI { 2187} (( segid " " and resid "62 " and name "HE3 ")) (( segid " " and resid "62 " and name "HA ")) 5.100 3.300 1.900 peak 2187 weight 0.10000E+01 volume 0.31690E+03 ppm1 2.950 ppm2 4.332 OR { 2187} (( segid " " and resid "62 " and name "HE2 ")) (( segid " " and resid "62 " and name "HA ")) ASSI { 2206} (( segid " " and resid "63 " and name "HB2 ")) (( segid " " and resid "63 " and name "HA ")) 2.600 0.800 0.800 peak 2206 weight 0.10000E+01 volume 0.17530E+05 ppm1 2.513 ppm2 3.964 ASSI { 2215} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "63 " and name "HG2 ")) 2.200 0.600 0.600 peak 2215 weight 0.10000E+01 volume 0.46140E+05 ppm1 2.233 ppm2 2.686 ASSI { 2218} (( segid " " and resid "63 " and name "HG2 ")) (( segid " " and resid "63 " and name "HA ")) 3.500 1.500 1.500 peak 2218 weight 0.10000E+01 volume 0.30670E+04 ppm1 2.686 ppm2 3.964 ASSI { 2227} (( segid " " and resid "63 " and name "HG3 ")) (( segid " " and resid "63 " and name "HG2 ")) 1.800 0.400 0.400 peak 2227 weight 0.10000E+01 volume 0.17840E+06 ppm1 2.347 ppm2 2.686 ASSI { 2273} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "65 " and name "HB2 ")) 2.800 1.000 1.000 peak 2273 weight 0.10000E+01 volume 0.12760E+05 ppm1 4.725 ppm2 1.922 ASSI { 2274} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "65 " and name "HB3 ")) 2.500 0.800 0.800 peak 2274 weight 0.10000E+01 volume 0.25400E+05 ppm1 4.725 ppm2 1.590 ASSI { 2275} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "65 " and name "HG2 ")) 3.200 1.300 1.300 peak 2275 weight 0.10000E+01 volume 0.56610E+04 ppm1 4.725 ppm2 2.410 ASSI { 2276} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "65 " and name "HG3 ")) 3.500 1.500 1.500 peak 2276 weight 0.10000E+01 volume 0.33680E+04 ppm1 4.725 ppm2 2.370 ASSI { 2287} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "65 " and name "HG2 ")) 2.900 1.100 1.100 peak 2287 weight 0.10000E+01 volume 0.10040E+05 ppm1 1.590 ppm2 2.410 ASSI { 2288} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "65 " and name "HG3 ")) 2.500 0.800 0.800 peak 2288 weight 0.10000E+01 volume 0.22600E+05 ppm1 1.590 ppm2 2.370 ASSI { 2312} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "66 " and name "HA ")) 2.200 0.600 0.600 peak 2312 weight 0.10000E+01 volume 0.48140E+05 ppm1 1.828 ppm2 4.587 ASSI { 2317} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "66 " and name "HA ")) 2.800 1.000 1.000 peak 2317 weight 0.10000E+01 volume 0.11670E+05 ppm1 0.648 ppm2 4.587 ASSI { 2318} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "66 " and name "HB ")) 2.100 0.600 0.600 peak 2318 weight 0.10000E+01 volume 0.72740E+05 ppm1 0.648 ppm2 1.828 ASSI { 2322} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "66 " and name "HA ")) 2.100 0.600 0.600 peak 2322 weight 0.10000E+01 volume 0.65130E+05 ppm1 0.466 ppm2 4.587 ASSI { 2336} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 2.400 0.700 0.700 peak 2336 weight 0.10000E+01 volume 0.33950E+05 ppm1 4.968 ppm2 6.843 ASSI { 2337} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.700 1.700 1.700 peak 2337 weight 0.10000E+01 volume 0.22970E+04 ppm1 4.968 ppm2 6.594 ASSI { 2339} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "67 " and name "HA ")) 2.400 0.700 0.700 peak 2339 weight 0.10000E+01 volume 0.33430E+05 ppm1 2.687 ppm2 4.968 ASSI { 2343} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 2.900 2.900 4.100 peak 2343 weight 0.10000E+01 volume 0.96740E+04 ppm1 2.687 ppm2 6.594 ASSI { 2345} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "67 " and name "HA ")) 2.600 0.800 0.800 peak 2345 weight 0.10000E+01 volume 0.18750E+05 ppm1 2.622 ppm2 4.968 ASSI { 2349} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.500 1.500 1.500 peak 2349 weight 0.10000E+01 volume 0.29500E+04 ppm1 2.622 ppm2 6.594 ASSI { 2360} (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 1.900 0.500 0.500 peak 2360 weight 0.10000E+01 volume 0.12370E+06 ppm1 6.594 ppm2 6.843 ASSI { 2371} (( segid " " and resid "68 " and name "HB2 ")) (( segid " " and resid "68 " and name "HA ")) 2.400 0.700 0.700 peak 2371 weight 0.10000E+01 volume 0.28600E+05 ppm1 2.890 ppm2 5.191 ASSI { 2375} (( segid " " and resid "68 " and name "HB3 ")) (( segid " " and resid "68 " and name "HA ")) 2.300 0.700 0.700 peak 2375 weight 0.10000E+01 volume 0.39640E+05 ppm1 2.840 ppm2 5.191 ASSI { 2385} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "69 " and name "HB3 ")) 2.500 0.800 0.800 peak 2385 weight 0.10000E+01 volume 0.23830E+05 ppm1 4.781 ppm2 1.554 OR { 2385} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "69 " and name "HB2 ")) ASSI { 2386} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "69 " and name "HG ")) 2.600 0.800 0.800 peak 2386 weight 0.10000E+01 volume 0.18060E+05 ppm1 4.781 ppm2 1.683 ASSI { 2387} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) 2.300 0.700 0.700 peak 2387 weight 0.10000E+01 volume 0.42310E+05 ppm1 4.781 ppm2 0.968 ASSI { 2392} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) 2.000 0.500 0.500 peak 2392 weight 0.10000E+01 volume 0.98720E+05 ppm1 1.554 ppm2 0.968 OR { 2392} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) OR { 2392} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) ASSI { 2410} (( segid " " and resid "70 " and name "HB2 ")) (( segid " " and resid "70 " and name "HA ")) 2.200 0.600 0.600 peak 2410 weight 0.10000E+01 volume 0.46090E+05 ppm1 2.350 ppm2 4.428 ASSI { 2415} (( segid " " and resid "70 " and name "HB2 ")) (( segid " " and resid "70 " and name "HD2 ")) 3.400 1.400 1.400 peak 2415 weight 0.10000E+01 volume 0.35820E+04 ppm1 2.350 ppm2 3.846 ASSI { 2416} (( segid " " and resid "70 " and name "HB2 ")) (( segid " " and resid "70 " and name "HD3 ")) 4.000 2.000 2.000 peak 2416 weight 0.10000E+01 volume 0.14890E+04 ppm1 2.350 ppm2 3.768 ASSI { 2417} (( segid " " and resid "70 " and name "HB3 ")) (( segid " " and resid "70 " and name "HA ")) 2.500 0.800 0.800 peak 2417 weight 0.10000E+01 volume 0.24530E+05 ppm1 2.024 ppm2 4.428 ASSI { 2423} (( segid " " and resid "70 " and name "HB3 ")) (( segid " " and resid "70 " and name "HD3 ")) 2.800 1.000 1.000 peak 2423 weight 0.10000E+01 volume 0.11010E+05 ppm1 2.024 ppm2 3.768 ASSI { 2424} (( segid " " and resid "70 " and name "HG2 ")) (( segid " " and resid "70 " and name "HA ")) 3.200 1.300 1.300 peak 2424 weight 0.10000E+01 volume 0.54350E+04 ppm1 2.190 ppm2 4.428 ASSI { 2429} (( segid " " and resid "70 " and name "HG2 ")) (( segid " " and resid "70 " and name "HD2 ")) 2.500 0.800 0.800 peak 2429 weight 0.10000E+01 volume 0.23290E+05 ppm1 2.190 ppm2 3.846 ASSI { 2430} (( segid " " and resid "70 " and name "HG2 ")) (( segid " " and resid "70 " and name "HD3 ")) 2.600 0.800 0.800 peak 2430 weight 0.10000E+01 volume 0.16740E+05 ppm1 2.190 ppm2 3.768 ASSI { 2431} (( segid " " and resid "70 " and name "HG3 ")) (( segid " " and resid "70 " and name "HA ")) 3.500 1.500 1.500 peak 2431 weight 0.10000E+01 volume 0.30680E+04 ppm1 2.122 ppm2 4.428 ASSI { 2436} (( segid " " and resid "70 " and name "HG3 ")) (( segid " " and resid "70 " and name "HD2 ")) 2.700 0.900 0.900 peak 2436 weight 0.10000E+01 volume 0.15870E+05 ppm1 2.122 ppm2 3.846 ASSI { 2437} (( segid " " and resid "70 " and name "HG3 ")) (( segid " " and resid "70 " and name "HD3 ")) 2.400 0.700 0.700 peak 2437 weight 0.10000E+01 volume 0.33960E+05 ppm1 2.122 ppm2 3.768 ASSI { 2438} (( segid " " and resid "70 " and name "HD2 ")) (( segid " " and resid "70 " and name "HA ")) 3.300 1.400 1.400 peak 2438 weight 0.10000E+01 volume 0.48070E+04 ppm1 3.846 ppm2 4.428 ASSI { 2445} (( segid " " and resid "70 " and name "HD3 ")) (( segid " " and resid "70 " and name "HA ")) 3.600 1.600 1.600 peak 2445 weight 0.10000E+01 volume 0.26670E+04 ppm1 3.768 ppm2 4.428 ASSI { 2513} (( segid " " and resid "73 " and name "HB3 ")) (( segid " " and resid "73 " and name "HD22") OR ( segid " " and resid "73 " and name "HD23") OR ( segid " " and resid "73 " and name "HD21")) 2.800 1.000 1.000 peak 2513 weight 0.10000E+01 volume 0.11220E+05 ppm1 1.633 ppm2 0.889 ASSI { 2522} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "73 " and name "HA ")) 3.600 1.600 1.600 peak 2522 weight 0.10000E+01 volume 0.25080E+04 ppm1 0.956 ppm2 4.379 ASSI { 2529} (( segid " " and resid "73 " and name "HD22") OR ( segid " " and resid "73 " and name "HD23") OR ( segid " " and resid "73 " and name "HD21")) (( segid " " and resid "73 " and name "HA ")) 2.700 0.900 0.900 peak 2529 weight 0.10000E+01 volume 0.13510E+05 ppm1 0.889 ppm2 4.379 ASSI { 2560} (( segid " " and resid "75 " and name "HG12") OR ( segid " " and resid "75 " and name "HG13") OR ( segid " " and resid "75 " and name "HG11")) (( segid " " and resid "75 " and name "HA ")) 3.100 1.200 1.200 peak 2560 weight 0.10000E+01 volume 0.70300E+04 ppm1 0.985 ppm2 4.456 ASSI { 2565} (( segid " " and resid "75 " and name "HG22") OR ( segid " " and resid "75 " and name "HG23") OR ( segid " " and resid "75 " and name "HG21")) (( segid " " and resid "75 " and name "HA ")) 3.200 1.300 1.300 peak 2565 weight 0.10000E+01 volume 0.55160E+04 ppm1 0.920 ppm2 4.456 ASSI { 2579} (( segid " " and resid "76 " and name "HB2 ")) (( segid " " and resid "76 " and name "HD2 ")) 4.200 2.200 2.200 peak 2579 weight 0.10000E+01 volume 0.10780E+04 ppm1 2.327 ppm2 3.915 ASSI { 2580} (( segid " " and resid "76 " and name "HB2 ")) (( segid " " and resid "76 " and name "HD3 ")) 4.500 2.500 2.500 peak 2580 weight 0.10000E+01 volume 0.69620E+03 ppm1 2.327 ppm2 3.706 ASSI { 2592} (( segid " " and resid "76 " and name "HG3 ")) (( segid " " and resid "76 " and name "HD3 ")) 3.000 1.100 1.100 peak 2592 weight 0.10000E+01 volume 0.86480E+04 ppm1 2.058 ppm2 3.706 OR { 2592} (( segid " " and resid "76 " and name "HG2 ")) (( segid " " and resid "76 " and name "HD3 ")) ASSI { 2669} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "57 " and name "HA ")) 3.800 1.800 1.800 peak 2669 weight 0.10000E+01 volume 0.18230E+04 ppm1 4.677 ppm2 5.097 ASSI { 2670} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "57 " and name "HA ")) 3.800 1.800 1.800 peak 2670 weight 0.10000E+01 volume 0.19470E+04 ppm1 4.490 ppm2 5.095 ASSI { 2671} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "68 " and name "HA ")) 4.100 2.100 2.100 peak 2671 weight 0.10000E+01 volume 0.12020E+04 ppm1 4.278 ppm2 5.193 ASSI { 2672} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "68 " and name "HA ")) 2.700 0.900 0.900 peak 2672 weight 0.10000E+01 volume 0.13490E+05 ppm1 3.985 ppm2 5.192 ASSI { 2673} (( segid " " and resid "58 " and name "HB ")) (( segid " " and resid "57 " and name "HA ")) 4.100 2.100 2.100 peak 2673 weight 0.10000E+01 volume 0.11400E+04 ppm1 3.943 ppm2 5.094 ASSI { 2674} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "25 " and name "HA ")) 3.700 1.700 1.700 peak 2674 weight 0.10000E+01 volume 0.21330E+04 ppm1 3.798 ppm2 5.285 ASSI { 2676} (( segid " " and resid "21 " and name "HG2 ")) (( segid " " and resid "68 " and name "HA ")) 3.700 1.700 1.700 peak 2676 weight 0.10000E+01 volume 0.21700E+04 ppm1 2.419 ppm2 5.194 ASSI { 2677} (( segid " " and resid "21 " and name "HG3 ")) (( segid " " and resid "68 " and name "HA ")) 3.000 1.100 1.100 peak 2677 weight 0.10000E+01 volume 0.76730E+04 ppm1 2.323 ppm2 5.193 ASSI { 2678} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "68 " and name "HA ")) 3.800 1.800 1.800 peak 2678 weight 0.10000E+01 volume 0.18450E+04 ppm1 2.691 ppm2 5.194 ASSI { 2679} (( segid " " and resid "68 " and name "HB3 ")) (( segid " " and resid "57 " and name "HA ")) 3.800 1.800 1.800 peak 2679 weight 0.10000E+01 volume 0.18390E+04 ppm1 2.853 ppm2 5.096 ASSI { 2681} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "25 " and name "HA ")) 4.100 2.100 2.100 peak 2681 weight 0.10000E+01 volume 0.12780E+04 ppm1 2.082 ppm2 5.285 ASSI { 2682} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "25 " and name "HA ")) 4.500 2.500 2.500 peak 2682 weight 0.10000E+01 volume 0.72130E+03 ppm1 1.939 ppm2 5.286 ASSI { 2683} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "68 " and name "HA ")) 3.400 1.400 1.400 peak 2683 weight 0.10000E+01 volume 0.36830E+04 ppm1 1.864 ppm2 5.192 ASSI { 2684} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "57 " and name "HA ")) 4.800 2.900 2.200 peak 2684 weight 0.10000E+01 volume 0.46830E+03 ppm1 1.840 ppm2 5.091 ASSI { 2685} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "67 " and name "HA ")) 4.400 2.400 2.400 peak 2685 weight 0.10000E+01 volume 0.75620E+03 ppm1 1.834 ppm2 4.964 ASSI { 2686} (( segid " " and resid "56 " and name "HB ")) (( segid " " and resid "57 " and name "HA ")) 5.000 3.100 2.000 peak 2686 weight 0.10000E+01 volume 0.36020E+03 ppm1 2.133 ppm2 5.094 ASSI { 2687} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "25 " and name "HA ")) 4.100 2.100 2.100 peak 2687 weight 0.10000E+01 volume 0.12670E+04 ppm1 0.457 ppm2 5.285 OR { 2687} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "25 " and name "HA ")) ASSI { 2688} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "25 " and name "HA ")) 4.700 2.800 2.300 peak 2688 weight 0.10000E+01 volume 0.55440E+03 ppm1 0.520 ppm2 5.286 ASSI { 2689} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "68 " and name "HA ")) 3.400 1.400 1.400 peak 2689 weight 0.10000E+01 volume 0.34740E+04 ppm1 0.483 ppm2 5.194 ASSI { 2690} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "68 " and name "HA ")) 2.900 1.100 1.100 peak 2690 weight 0.10000E+01 volume 0.87880E+04 ppm1 0.421 ppm2 5.193 ASSI { 2691} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "68 " and name "HA ")) 4.000 2.000 2.000 peak 2691 weight 0.10000E+01 volume 0.13370E+04 ppm1 0.644 ppm2 5.193 ASSI { 2692} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "68 " and name "HA ")) 4.400 2.400 2.400 peak 2692 weight 0.10000E+01 volume 0.81470E+03 ppm1 0.759 ppm2 5.195 ASSI { 2693} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "68 " and name "HA ")) 4.000 2.000 2.000 peak 2693 weight 0.10000E+01 volume 0.15070E+04 ppm1 0.959 ppm2 5.193 OR { 2693} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "68 " and name "HA ")) ASSI { 2694} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "68 " and name "HA ")) 4.400 2.400 2.400 peak 2694 weight 0.10000E+01 volume 0.81310E+03 ppm1 1.010 ppm2 5.194 ASSI { 2696} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "68 " and name "HA ")) 2.700 0.900 0.900 peak 2696 weight 0.10000E+01 volume 0.16610E+05 ppm1 1.183 ppm2 5.193 ASSI { 2697} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "68 " and name "HA ")) 3.700 1.700 1.700 peak 2697 weight 0.10000E+01 volume 0.21920E+04 ppm1 1.271 ppm2 5.193 ASSI { 2698} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "68 " and name "HA ")) 5.400 3.600 1.600 peak 2698 weight 0.10000E+01 volume 0.23840E+03 ppm1 1.458 ppm2 5.193 ASSI { 2699} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "68 " and name "HA ")) 4.500 2.500 2.500 peak 2699 weight 0.10000E+01 volume 0.68050E+03 ppm1 1.554 ppm2 5.194 OR { 2699} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "68 " and name "HA ")) ASSI { 2700} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "68 " and name "HA ")) 3.900 1.900 1.900 peak 2700 weight 0.10000E+01 volume 0.15260E+04 ppm1 1.614 ppm2 5.194 ASSI { 2701} (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) (( segid " " and resid "57 " and name "HA ")) 3.400 1.400 1.400 peak 2701 weight 0.10000E+01 volume 0.34440E+04 ppm1 1.012 ppm2 5.094 ASSI { 2702} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "57 " and name "HA ")) 4.100 2.100 2.100 peak 2702 weight 0.10000E+01 volume 0.11910E+04 ppm1 0.970 ppm2 5.095 ASSI { 2703} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "57 " and name "HA ")) 3.400 1.400 1.400 peak 2703 weight 0.10000E+01 volume 0.35070E+04 ppm1 0.759 ppm2 5.095 ASSI { 2704} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "57 " and name "HA ")) 3.500 1.500 1.500 peak 2704 weight 0.10000E+01 volume 0.30290E+04 ppm1 0.645 ppm2 5.094 ASSI { 2705} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "67 " and name "HA ")) 3.700 1.700 1.700 peak 2705 weight 0.10000E+01 volume 0.21910E+04 ppm1 1.459 ppm2 4.970 ASSI { 2706} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "67 " and name "HA ")) 3.400 1.400 1.400 peak 2706 weight 0.10000E+01 volume 0.35170E+04 ppm1 1.347 ppm2 4.969 ASSI { 2707} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "67 " and name "HA ")) 3.500 1.500 1.500 peak 2707 weight 0.10000E+01 volume 0.29630E+04 ppm1 1.059 ppm2 4.967 ASSI { 2708} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "67 " and name "HA ")) 3.800 1.800 1.800 peak 2708 weight 0.10000E+01 volume 0.17750E+04 ppm1 0.753 ppm2 4.968 ASSI { 2709} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "67 " and name "HA ")) 3.100 1.200 1.200 peak 2709 weight 0.10000E+01 volume 0.63180E+04 ppm1 0.706 ppm2 4.967 ASSI { 2710} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "67 " and name "HA ")) 3.600 1.600 1.600 peak 2710 weight 0.10000E+01 volume 0.28400E+04 ppm1 0.644 ppm2 4.967 ASSI { 2711} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "67 " and name "HA ")) 4.700 2.800 2.300 peak 2711 weight 0.10000E+01 volume 0.51120E+03 ppm1 0.528 ppm2 4.967 ASSI { 2712} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "67 " and name "HA ")) 4.200 2.200 2.200 peak 2712 weight 0.10000E+01 volume 0.99250E+03 ppm1 0.473 ppm2 4.969 ASSI { 2713} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "67 " and name "HA ")) 3.200 3.200 3.800 peak 2713 weight 0.10000E+01 volume 0.55510E+04 ppm1 0.423 ppm2 4.969 ASSI { 2714} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "63 " and name "HA ")) 3.700 1.700 1.700 peak 2714 weight 0.10000E+01 volume 0.22980E+04 ppm1 4.895 ppm2 3.961 ASSI { 2715} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "28 " and name "HB2 ")) 4.100 2.100 2.100 peak 2715 weight 0.10000E+01 volume 0.11680E+04 ppm1 4.750 ppm2 2.492 ASSI { 2716} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) 4.800 2.900 2.200 peak 2716 weight 0.10000E+01 volume 0.47560E+03 ppm1 4.894 ppm2 1.019 ASSI { 2717} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) 3.800 1.800 1.800 peak 2717 weight 0.10000E+01 volume 0.20300E+04 ppm1 4.895 ppm2 0.648 ASSI { 2718} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) 3.500 1.500 1.500 peak 2718 weight 0.10000E+01 volume 0.33510E+04 ppm1 4.848 ppm2 0.648 ASSI { 2719} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "58 " and name "HG21") OR ( segid " " and resid "58 " and name "HG23") OR ( segid " " and resid "58 " and name "HG22")) 4.200 2.200 2.200 peak 2719 weight 0.10000E+01 volume 0.11220E+04 ppm1 4.848 ppm2 1.017 ASSI { 2720} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "61 " and name "HB2 ") OR ( segid " " and resid "61 " and name "HB3 ") OR ( segid " " and resid "61 " and name "HB1 ")) 4.600 2.600 2.400 peak 2720 weight 0.10000E+01 volume 0.64970E+03 ppm1 4.848 ppm2 1.469 ASSI { 2721} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "66 " and name "HB ")) 3.300 1.400 1.400 peak 2721 weight 0.10000E+01 volume 0.46160E+04 ppm1 4.791 ppm2 1.840 ASSI { 2723} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) 3.800 1.800 1.800 peak 2723 weight 0.10000E+01 volume 0.18470E+04 ppm1 4.777 ppm2 1.466 ASSI { 2724} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) 4.800 2.900 2.200 peak 2724 weight 0.10000E+01 volume 0.46860E+03 ppm1 4.796 ppm2 0.651 ASSI { 2725} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) 4.100 2.100 2.100 peak 2725 weight 0.10000E+01 volume 0.12160E+04 ppm1 4.776 ppm2 0.765 ASSI { 2726} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) 2.900 1.100 1.100 peak 2726 weight 0.10000E+01 volume 0.88160E+04 ppm1 4.795 ppm2 0.473 ASSI { 2727} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) 3.600 1.600 1.600 peak 2727 weight 0.10000E+01 volume 0.26050E+04 ppm1 4.775 ppm2 0.422 ASSI { 2728} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "59 " and name "HB2 ")) 4.100 2.100 2.100 peak 2728 weight 0.10000E+01 volume 0.11670E+04 ppm1 4.719 ppm2 1.720 ASSI { 2729} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 3.500 1.500 1.500 peak 2729 weight 0.10000E+01 volume 0.29170E+04 ppm1 4.715 ppm2 0.922 ASSI { 2730} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) 2.900 1.100 1.100 peak 2730 weight 0.10000E+01 volume 0.92480E+04 ppm1 4.716 ppm2 0.846 ASSI { 2731} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) 2.600 0.800 0.800 peak 2731 weight 0.10000E+01 volume 0.17870E+05 ppm1 4.716 ppm2 0.803 ASSI { 2732} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) 3.500 1.500 1.500 peak 2732 weight 0.10000E+01 volume 0.29070E+04 ppm1 4.720 ppm2 0.648 ASSI { 2733} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) 3.600 1.600 1.600 peak 2733 weight 0.10000E+01 volume 0.27430E+04 ppm1 4.717 ppm2 0.469 ASSI { 2737} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "38 " and name "HA ")) 4.000 2.000 2.000 peak 2737 weight 0.10000E+01 volume 0.13810E+04 ppm1 0.252 ppm2 4.543 ASSI { 2738} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "22 " and name "HA ")) 2.400 0.700 0.700 peak 2738 weight 0.10000E+01 volume 0.32400E+05 ppm1 0.465 ppm2 4.516 ASSI { 2739} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "55 " and name "HA ")) 3.200 1.300 1.300 peak 2739 weight 0.10000E+01 volume 0.51610E+04 ppm1 0.759 ppm2 4.586 ASSI { 2740} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "55 " and name "HA ")) 2.500 0.800 0.800 peak 2740 weight 0.10000E+01 volume 0.22380E+05 ppm1 0.962 ppm2 4.586 ASSI { 2741} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "58 " and name "HA ")) 4.100 2.100 2.100 peak 2741 weight 0.10000E+01 volume 0.13050E+04 ppm1 0.759 ppm2 4.493 ASSI { 2742} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "70 " and name "HA ")) 2.900 1.100 1.100 peak 2742 weight 0.10000E+01 volume 0.10500E+05 ppm1 0.759 ppm2 4.429 ASSI { 2743} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "70 " and name "HA ")) 3.200 1.300 1.300 peak 2743 weight 0.10000E+01 volume 0.51130E+04 ppm1 0.965 ppm2 4.430 ASSI { 2744} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "19 " and name "HA ")) 3.200 1.300 1.300 peak 2744 weight 0.10000E+01 volume 0.52860E+04 ppm1 0.960 ppm2 4.281 OR { 2744} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "19 " and name "HA ")) ASSI { 2745} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "64 " and name "HA ")) 4.400 2.400 2.400 peak 2745 weight 0.10000E+01 volume 0.77920E+03 ppm1 0.462 ppm2 4.332 ASSI { 2746} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "17 " and name "HA ")) 4.900 3.000 2.100 peak 2746 weight 0.10000E+01 volume 0.41180E+03 ppm1 0.421 ppm2 4.279 ASSI { 2747} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "33 " and name "HA ")) 2.700 0.900 0.900 peak 2747 weight 0.10000E+01 volume 0.15150E+05 ppm1 0.517 ppm2 4.220 ASSI { 2748} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "33 " and name "HA ")) 3.700 1.700 1.700 peak 2748 weight 0.10000E+01 volume 0.23720E+04 ppm1 0.257 ppm2 4.219 ASSI { 2749} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "41 " and name "HA ")) 3.900 1.900 1.900 peak 2749 weight 0.10000E+01 volume 0.16230E+04 ppm1 0.255 ppm2 4.132 ASSI { 2750} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "14 " and name "HA ")) 4.100 2.100 2.100 peak 2750 weight 0.10000E+01 volume 0.11400E+04 ppm1 0.255 ppm2 3.859 ASSI { 2751} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "24 " and name "HB2 ")) 2.100 0.600 0.600 peak 2751 weight 0.10000E+01 volume 0.71490E+05 ppm1 0.458 ppm2 4.080 ASSI { 2752} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "21 " and name "HA ")) 2.500 0.800 0.800 peak 2752 weight 0.10000E+01 volume 0.22730E+05 ppm1 0.642 ppm2 3.978 ASSI { 2753} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "24 " and name "HB3 ")) 2.800 1.000 1.000 peak 2753 weight 0.10000E+01 volume 0.12690E+05 ppm1 0.463 ppm2 3.935 ASSI { 2754} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "58 " and name "HB ")) 3.300 1.400 1.400 peak 2754 weight 0.10000E+01 volume 0.47670E+04 ppm1 0.759 ppm2 3.951 ASSI { 2755} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "27 " and name "HA1 ")) 3.300 1.400 1.400 peak 2755 weight 0.10000E+01 volume 0.43850E+04 ppm1 0.841 ppm2 4.054 ASSI { 2756} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "31 " and name "HA ")) 2.800 1.000 1.000 peak 2756 weight 0.10000E+01 volume 0.11110E+05 ppm1 0.798 ppm2 4.156 ASSI { 2757} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "33 " and name "HA ")) 3.700 1.700 1.700 peak 2757 weight 0.10000E+01 volume 0.23130E+04 ppm1 0.712 ppm2 4.217 OR { 2757} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "33 " and name "HA ")) ASSI { 2758} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "47 " and name "HB3 ")) 2.900 1.100 1.100 peak 2758 weight 0.10000E+01 volume 0.95640E+04 ppm1 0.945 ppm2 4.079 OR { 2758} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "47 " and name "HB2 ")) ASSI { 2759} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "12 " and name "HA ")) 3.200 1.300 1.300 peak 2759 weight 0.10000E+01 volume 0.56170E+04 ppm1 0.861 ppm2 3.901 ASSI { 2760} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "18 " and name "HA ")) 3.500 1.500 1.500 peak 2760 weight 0.10000E+01 volume 0.34000E+04 ppm1 0.959 ppm2 4.000 OR { 2760} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "18 " and name "HA ")) ASSI { 2761} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "8 " and name "HA ")) 3.100 1.200 1.200 peak 2761 weight 0.10000E+01 volume 0.61410E+04 ppm1 1.095 ppm2 4.155 ASSI { 2764} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "14 " and name "HA ")) 4.000 2.000 2.000 peak 2764 weight 0.10000E+01 volume 0.13560E+04 ppm1 0.421 ppm2 3.859 ASSI { 2765} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "14 " and name "HA ")) 2.500 0.800 0.800 peak 2765 weight 0.10000E+01 volume 0.25580E+05 ppm1 0.516 ppm2 3.859 ASSI { 2766} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "14 " and name "HA ")) 2.600 0.800 0.800 peak 2766 weight 0.10000E+01 volume 0.18800E+05 ppm1 0.573 ppm2 3.862 ASSI { 2767} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "26 " and name "HA ")) 2.900 1.100 1.100 peak 2767 weight 0.10000E+01 volume 0.90540E+04 ppm1 0.460 ppm2 3.803 ASSI { 2770} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "70 " and name "HD2 ")) 2.900 1.100 1.100 peak 2770 weight 0.10000E+01 volume 0.95620E+04 ppm1 0.763 ppm2 3.855 ASSI { 2771} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "70 " and name "HD3 ")) 3.900 1.900 1.900 peak 2771 weight 0.10000E+01 volume 0.17360E+04 ppm1 0.763 ppm2 3.768 ASSI { 2772} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "60 " and name "HB2 ")) 3.000 1.100 1.100 peak 2772 weight 0.10000E+01 volume 0.83680E+04 ppm1 0.645 ppm2 3.713 ASSI { 2773} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "60 " and name "HB2 ")) 4.800 2.900 2.200 peak 2773 weight 0.10000E+01 volume 0.47990E+03 ppm1 0.465 ppm2 3.714 ASSI { 2774} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "27 " and name "HA2 ")) 3.400 1.400 1.400 peak 2774 weight 0.10000E+01 volume 0.39940E+04 ppm1 0.806 ppm2 3.720 ASSI { 2775} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "27 " and name "HA2 ")) 2.700 0.900 0.900 peak 2775 weight 0.10000E+01 volume 0.16600E+05 ppm1 0.843 ppm2 3.720 ASSI { 2776} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "26 " and name "HA ")) 3.500 1.500 1.500 peak 2776 weight 0.10000E+01 volume 0.33920E+04 ppm1 0.843 ppm2 3.801 ASSI { 2777} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "43 " and name "HA ")) 2.200 0.600 0.600 peak 2777 weight 0.10000E+01 volume 0.53110E+05 ppm1 0.841 ppm2 3.608 ASSI { 2780} (( segid " " and resid "75 " and name "HG12") OR ( segid " " and resid "75 " and name "HG13") OR ( segid " " and resid "75 " and name "HG11")) (( segid " " and resid "76 " and name "HD3 ")) 3.200 1.300 1.300 peak 2780 weight 0.10000E+01 volume 0.54160E+04 ppm1 0.985 ppm2 3.706 ASSI { 2781} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "70 " and name "HD3 ")) 2.500 0.800 0.800 peak 2781 weight 0.10000E+01 volume 0.22850E+05 ppm1 0.960 ppm2 3.770 ASSI { 2782} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "26 " and name "HA ")) 2.500 0.800 0.800 peak 2782 weight 0.10000E+01 volume 0.22830E+05 ppm1 0.947 ppm2 3.803 ASSI { 2783} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "70 " and name "HD2 ")) 2.700 0.900 0.900 peak 2783 weight 0.10000E+01 volume 0.16120E+05 ppm1 0.963 ppm2 3.851 ASSI { 2784} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "14 " and name "HA ")) 3.000 1.100 1.100 peak 2784 weight 0.10000E+01 volume 0.76430E+04 ppm1 0.668 ppm2 3.864 ASSI { 2785} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "58 " and name "HB ")) 3.000 3.000 4.000 peak 2785 weight 0.10000E+01 volume 0.80050E+04 ppm1 0.965 ppm2 3.948 ASSI { 2786} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "26 " and name "HA ")) 3.300 1.400 1.400 peak 2786 weight 0.10000E+01 volume 0.45890E+04 ppm1 0.900 ppm2 3.801 ASSI { 2787} (( segid " " and resid "61 " and name "HB2 ") OR ( segid " " and resid "61 " and name "HB3 ") OR ( segid " " and resid "61 " and name "HB1 ")) (( segid " " and resid "60 " and name "HB2 ")) 3.900 1.900 1.900 peak 2787 weight 0.10000E+01 volume 0.17180E+04 ppm1 1.468 ppm2 3.715 ASSI { 2788} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "26 " and name "HA ")) 3.200 3.200 3.800 peak 2788 weight 0.10000E+01 volume 0.50100E+04 ppm1 1.413 ppm2 3.803 ASSI { 2789} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "70 " and name "HD3 ")) 3.400 1.400 1.400 peak 2789 weight 0.10000E+01 volume 0.38350E+04 ppm1 1.555 ppm2 3.765 OR { 2789} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "70 " and name "HD3 ")) ASSI { 2790} (( segid " " and resid "73 " and name "HB3 ")) (( segid " " and resid "70 " and name "HD3 ")) 3.300 1.400 1.400 peak 2790 weight 0.10000E+01 volume 0.45510E+04 ppm1 1.616 ppm2 3.766 ASSI { 2791} (( segid " " and resid "69 " and name "HG ")) (( segid " " and resid "70 " and name "HD3 ")) 2.500 0.800 0.800 peak 2791 weight 0.10000E+01 volume 0.21460E+05 ppm1 1.680 ppm2 3.765 ASSI { 2792} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "63 " and name "HA ")) 2.500 0.800 0.800 peak 2792 weight 0.10000E+01 volume 0.22140E+05 ppm1 1.578 ppm2 3.959 OR { 2792} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "63 " and name "HA ")) ASSI { 2793} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "63 " and name "HA ")) 2.500 0.800 0.800 peak 2793 weight 0.10000E+01 volume 0.23480E+05 ppm1 1.721 ppm2 3.960 ASSI { 2794} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "41 " and name "HA ")) 2.600 0.800 0.800 peak 2794 weight 0.10000E+01 volume 0.17910E+05 ppm1 1.683 ppm2 4.140 OR { 2794} (( segid " " and resid "45 " and name "HD2 ")) (( segid " " and resid "41 " and name "HA ")) ASSI { 2795} (( segid " " and resid "71 " and name "HB2 ") OR ( segid " " and resid "71 " and name "HB3 ") OR ( segid " " and resid "71 " and name "HB1 ")) (( segid " " and resid "70 " and name "HA ")) 3.900 1.900 1.900 peak 2795 weight 0.10000E+01 volume 0.17680E+04 ppm1 1.391 ppm2 4.428 ASSI { 2796} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "58 " and name "HA ")) 3.900 1.900 1.900 peak 2796 weight 0.10000E+01 volume 0.15810E+04 ppm1 1.582 ppm2 4.492 OR { 2796} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "58 " and name "HA ")) ASSI { 2798} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "58 " and name "HA ")) 2.900 1.100 1.100 peak 2798 weight 0.10000E+01 volume 0.10470E+05 ppm1 1.844 ppm2 4.492 ASSI { 2799} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "58 " and name "HA ")) 4.100 2.100 2.100 peak 2799 weight 0.10000E+01 volume 0.12650E+04 ppm1 1.725 ppm2 4.494 ASSI { 2802} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "43 " and name "HA ")) 3.200 1.300 1.300 peak 2802 weight 0.10000E+01 volume 0.53660E+04 ppm1 1.937 ppm2 3.609 ASSI { 2807} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "39 " and name "HA ")) 3.200 1.300 1.300 peak 2807 weight 0.10000E+01 volume 0.56010E+04 ppm1 2.486 ppm2 4.603 ASSI { 2809} (( segid " " and resid "68 " and name "HB3 ")) (( segid " " and resid "21 " and name "HA ")) 3.400 1.400 1.400 peak 2809 weight 0.10000E+01 volume 0.35350E+04 ppm1 2.861 ppm2 3.967 ASSI { 2810} (( segid " " and resid "59 " and name "HD3 ")) (( segid " " and resid "63 " and name "HA ")) 2.700 0.900 0.900 peak 2810 weight 0.10000E+01 volume 0.15650E+05 ppm1 3.041 ppm2 3.963 ASSI { 2812} (( segid " " and resid "19 " and name "HE2 ")) (( segid " " and resid "71 " and name "HA ")) 4.000 2.000 2.000 peak 2812 weight 0.10000E+01 volume 0.14590E+04 ppm1 2.974 ppm2 4.227 OR { 2812} (( segid " " and resid "19 " and name "HE3 ")) (( segid " " and resid "71 " and name "HA ")) ASSI { 2815} (( segid " " and resid "63 " and name "HB2 ")) (( segid " " and resid "64 " and name "HA ")) 3.200 1.300 1.300 peak 2815 weight 0.10000E+01 volume 0.57750E+04 ppm1 2.507 ppm2 4.343 ASSI { 2818} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "17 " and name "HA ")) 2.600 0.800 0.800 peak 2818 weight 0.10000E+01 volume 0.16860E+05 ppm1 2.343 ppm2 4.287 ASSI { 2821} (( segid " " and resid "24 " and name "HB3 ")) (( segid " " and resid "66 " and name "HA ")) 3.000 1.100 1.100 peak 2821 weight 0.10000E+01 volume 0.71890E+04 ppm1 3.925 ppm2 4.587 ASSI { 2822} (( segid " " and resid "70 " and name "HD2 ")) (( segid " " and resid "55 " and name "HA ")) 2.700 0.900 0.900 peak 2822 weight 0.10000E+01 volume 0.13600E+05 ppm1 3.843 ppm2 4.588 ASSI { 2823} (( segid " " and resid "70 " and name "HD3 ")) (( segid " " and resid "55 " and name "HA ")) 3.400 1.400 1.400 peak 2823 weight 0.10000E+01 volume 0.37940E+04 ppm1 3.760 ppm2 4.587 ASSI { 2824} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "66 " and name "HA ")) 3.500 1.500 1.500 peak 2824 weight 0.10000E+01 volume 0.31470E+04 ppm1 4.065 ppm2 4.590 ASSI { 2825} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "39 " and name "HA ")) 3.300 1.400 1.400 peak 2825 weight 0.10000E+01 volume 0.47710E+04 ppm1 4.144 ppm2 4.602 ASSI { 2826} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "40 " and name "HA ")) 3.200 1.300 1.300 peak 2826 weight 0.10000E+01 volume 0.50910E+04 ppm1 4.136 ppm2 4.531 ASSI { 2827} (( segid " " and resid "76 " and name "HD3 ")) (( segid " " and resid "75 " and name "HA ")) 2.800 1.000 1.000 peak 2827 weight 0.10000E+01 volume 0.13130E+05 ppm1 3.698 ppm2 4.456 ASSI { 2828} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "15 " and name "HA ")) 2.600 0.800 0.800 peak 2828 weight 0.10000E+01 volume 0.17010E+05 ppm1 0.486 ppm2 3.441 ASSI { 2829} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "15 " and name "HA ")) 3.800 1.800 1.800 peak 2829 weight 0.10000E+01 volume 0.20140E+04 ppm1 0.424 ppm2 3.441 ASSI { 2830} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "53 " and name "HB2 ")) 3.800 1.800 1.800 peak 2830 weight 0.10000E+01 volume 0.18990E+04 ppm1 0.485 ppm2 3.485 ASSI { 2831} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "46 " and name "HA ")) 3.600 1.600 1.600 peak 2831 weight 0.10000E+01 volume 0.27300E+04 ppm1 0.711 ppm2 3.437 OR { 2831} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "46 " and name "HA ")) ASSI { 2832} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "46 " and name "HA ")) 4.300 2.300 2.300 peak 2832 weight 0.10000E+01 volume 0.87410E+03 ppm1 0.672 ppm2 3.438 ASSI { 2833} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "10 " and name "HA ")) 4.200 2.200 2.200 peak 2833 weight 0.10000E+01 volume 0.10670E+04 ppm1 0.572 ppm2 3.301 ASSI { 2834} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "11 " and name "HA ")) 4.000 2.000 2.000 peak 2834 weight 0.10000E+01 volume 0.13570E+04 ppm1 0.746 ppm2 3.360 ASSI { 2835} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "46 " and name "HA ")) 2.800 2.800 4.200 peak 2835 weight 0.10000E+01 volume 0.11570E+05 ppm1 0.848 ppm2 3.438 ASSI { 2836} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "53 " and name "HB2 ")) 2.800 1.000 1.000 peak 2836 weight 0.10000E+01 volume 0.13300E+05 ppm1 0.962 ppm2 3.489 ASSI { 2839} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "30 " and name "HA ")) 2.200 0.600 0.600 peak 2839 weight 0.10000E+01 volume 0.46470E+05 ppm1 0.913 ppm2 3.212 ASSI { 2840} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "30 " and name "HA ")) 2.900 1.100 1.100 peak 2840 weight 0.10000E+01 volume 0.10230E+05 ppm1 0.714 ppm2 3.211 OR { 2840} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "30 " and name "HA ")) ASSI { 2842} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "14 " and name "HB2 ")) 3.700 1.700 1.700 peak 2842 weight 0.10000E+01 volume 0.24400E+04 ppm1 0.572 ppm2 3.156 ASSI { 2843} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "23 " and name "HB2 ")) 2.600 0.800 0.800 peak 2843 weight 0.10000E+01 volume 0.17790E+05 ppm1 0.521 ppm2 3.057 ASSI { 2844} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "23 " and name "HB2 ")) 2.600 0.800 0.800 peak 2844 weight 0.10000E+01 volume 0.20430E+05 ppm1 0.416 ppm2 3.062 ASSI { 2845} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "14 " and name "HB2 ")) 3.500 1.500 1.500 peak 2845 weight 0.10000E+01 volume 0.32290E+04 ppm1 0.255 ppm2 3.160 ASSI { 2846} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "38 " and name "HB2 ")) 2.800 1.000 1.000 peak 2846 weight 0.10000E+01 volume 0.12660E+05 ppm1 0.256 ppm2 3.005 ASSI { 2847} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "14 " and name "HB3 ")) 3.200 1.300 1.300 peak 2847 weight 0.10000E+01 volume 0.53380E+04 ppm1 0.255 ppm2 2.859 ASSI { 2848} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "38 " and name "HB3 ")) 3.200 1.300 1.300 peak 2848 weight 0.10000E+01 volume 0.52030E+04 ppm1 0.255 ppm2 2.587 ASSI { 2849} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "60 " and name "HB3 ")) 3.700 1.700 1.700 peak 2849 weight 0.10000E+01 volume 0.23900E+04 ppm1 0.463 ppm2 2.809 ASSI { 2850} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "53 " and name "HB3 ")) 3.600 1.600 1.600 peak 2850 weight 0.10000E+01 volume 0.27910E+04 ppm1 0.485 ppm2 2.888 ASSI { 2851} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "14 " and name "HB3 ")) 3.400 1.400 1.400 peak 2851 weight 0.10000E+01 volume 0.36470E+04 ppm1 0.573 ppm2 2.856 ASSI { 2852} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "60 " and name "HB3 ")) 2.400 0.700 0.700 peak 2852 weight 0.10000E+01 volume 0.33940E+05 ppm1 0.645 ppm2 2.810 ASSI { 2853} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "14 " and name "HB3 ")) 2.800 2.800 4.200 peak 2853 weight 0.10000E+01 volume 0.13160E+05 ppm1 0.760 ppm2 2.867 ASSI { 2855} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "38 " and name "HB2 ")) 3.200 1.300 1.300 peak 2855 weight 0.10000E+01 volume 0.55550E+04 ppm1 0.716 ppm2 3.008 ASSI { 2856} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "45 " and name "HE2 ")) 3.600 1.600 1.600 peak 2856 weight 0.10000E+01 volume 0.26450E+04 ppm1 0.745 ppm2 2.974 ASSI { 2857} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "38 " and name "HB2 ")) 4.700 2.800 2.300 peak 2857 weight 0.10000E+01 volume 0.51050E+03 ppm1 0.923 ppm2 3.010 ASSI { 2858} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "19 " and name "HE3 ")) 3.500 1.500 1.500 peak 2858 weight 0.10000E+01 volume 0.33010E+04 ppm1 0.963 ppm2 2.962 OR { 2858} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "19 " and name "HE2 ")) ASSI { 2860} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "30 " and name "HA ")) 4.800 2.900 2.200 peak 2860 weight 0.10000E+01 volume 0.44830E+03 ppm1 1.152 ppm2 3.215 ASSI { 2861} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "38 " and name "HB2 ")) 3.400 1.400 1.400 peak 2861 weight 0.10000E+01 volume 0.34950E+04 ppm1 1.158 ppm2 3.007 ASSI { 2862} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "14 " and name "HB3 ")) 3.600 1.600 1.600 peak 2862 weight 0.10000E+01 volume 0.28370E+04 ppm1 1.084 ppm2 2.855 ASSI { 2863} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "14 " and name "HB3 ")) 2.700 2.700 4.300 peak 2863 weight 0.10000E+01 volume 0.16670E+05 ppm1 1.011 ppm2 2.865 ASSI { 2864} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "53 " and name "HB3 ")) 2.900 1.100 1.100 peak 2864 weight 0.10000E+01 volume 0.89830E+04 ppm1 0.959 ppm2 2.883 ASSI { 2865} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "34 " and name "HG2 ")) 3.200 3.200 3.800 peak 2865 weight 0.10000E+01 volume 0.51370E+04 ppm1 0.856 ppm2 2.614 ASSI { 2866} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "26 " and name "HG3 ")) 3.000 1.100 1.100 peak 2866 weight 0.10000E+01 volume 0.84670E+04 ppm1 0.456 ppm2 2.594 OR { 2866} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "26 " and name "HG2 ")) ASSI { 2867} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "38 " and name "HB3 ")) 4.900 3.000 2.100 peak 2867 weight 0.10000E+01 volume 0.40500E+03 ppm1 0.574 ppm2 2.590 ASSI { 2868} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "26 " and name "HG3 ")) 3.700 1.700 1.700 peak 2868 weight 0.10000E+01 volume 0.21780E+04 ppm1 0.522 ppm2 2.594 OR { 2868} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "26 " and name "HG2 ")) ASSI { 2869} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "38 " and name "HB3 ")) 3.500 1.500 1.500 peak 2869 weight 0.10000E+01 volume 0.34220E+04 ppm1 0.719 ppm2 2.591 ASSI { 2870} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "34 " and name "HG2 ")) 3.000 1.100 1.100 peak 2870 weight 0.10000E+01 volume 0.84690E+04 ppm1 0.800 ppm2 2.624 ASSI { 2871} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "34 " and name "HG3 ")) 4.000 2.000 2.000 peak 2871 weight 0.10000E+01 volume 0.14740E+04 ppm1 0.799 ppm2 2.492 ASSI { 2872} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "34 " and name "HG3 ")) 3.200 1.300 1.300 peak 2872 weight 0.10000E+01 volume 0.49760E+04 ppm1 0.925 ppm2 2.492 ASSI { 2873} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "38 " and name "HB3 ")) 3.600 1.600 1.600 peak 2873 weight 0.10000E+01 volume 0.25820E+04 ppm1 1.159 ppm2 2.593 ASSI { 2876} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "67 " and name "HB2 ")) 2.100 2.100 4.900 peak 2876 weight 0.10000E+01 volume 0.66960E+05 ppm1 0.423 ppm2 2.679 ASSI { 2877} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "67 " and name "HB2 ")) 2.700 2.700 4.300 peak 2877 weight 0.10000E+01 volume 0.14120E+05 ppm1 0.521 ppm2 2.682 ASSI { 2878} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "11 " and name "HA ")) 3.400 1.400 1.400 peak 2878 weight 0.10000E+01 volume 0.37240E+04 ppm1 0.256 ppm2 3.361 ASSI { 2880} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "14 " and name "HB3 ")) 2.800 1.000 1.000 peak 2880 weight 0.10000E+01 volume 0.12090E+05 ppm1 0.654 ppm2 2.859 ASSI { 2885} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "11 " and name "HA ")) 3.500 1.500 1.500 peak 2885 weight 0.10000E+01 volume 0.30650E+04 ppm1 1.528 ppm2 3.360 OR { 2885} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "11 " and name "HA ")) ASSI { 2891} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "59 " and name "HD3 ")) 3.400 3.400 3.600 peak 2891 weight 0.10000E+01 volume 0.35780E+04 ppm1 2.061 ppm2 3.046 OR { 2891} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "59 " and name "HD2 ")) ASSI { 2892} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "38 " and name "HB2 ")) 3.500 1.500 1.500 peak 2892 weight 0.10000E+01 volume 0.28910E+04 ppm1 1.271 ppm2 3.003 ASSI { 2894} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "11 " and name "HA ")) 5.000 3.100 2.000 peak 2894 weight 0.10000E+01 volume 0.38940E+03 ppm1 1.838 ppm2 3.361 ASSI { 2895} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "23 " and name "HB2 ")) 3.200 1.300 1.300 peak 2895 weight 0.10000E+01 volume 0.53130E+04 ppm1 1.848 ppm2 3.048 ASSI { 2896} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "23 " and name "HB2 ")) 2.500 2.500 4.500 peak 2896 weight 0.10000E+01 volume 0.23910E+05 ppm1 1.900 ppm2 3.065 ASSI { 2897} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "49 " and name "HG2 ")) 2.900 1.100 1.100 peak 2897 weight 0.10000E+01 volume 0.89470E+04 ppm1 1.413 ppm2 2.569 ASSI { 2898} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "38 " and name "HB3 ")) 2.800 1.000 1.000 peak 2898 weight 0.10000E+01 volume 0.12530E+05 ppm1 1.268 ppm2 2.588 ASSI { 2899} (( segid " " and resid "31 " and name "HB2 ") OR ( segid " " and resid "31 " and name "HB3 ") OR ( segid " " and resid "31 " and name "HB1 ")) (( segid " " and resid "35 " and name "HG2 ")) 3.100 1.200 1.200 peak 2899 weight 0.10000E+01 volume 0.71550E+04 ppm1 1.497 ppm2 2.497 ASSI { 2900} (( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "9 " and name "HG2 ")) 3.400 1.400 1.400 peak 2900 weight 0.10000E+01 volume 0.35930E+04 ppm1 1.733 ppm2 2.510 OR { 2900} (( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "9 " and name "HG3 ")) ASSI { 2902} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "26 " and name "HG2 ")) 2.700 0.900 0.900 peak 2902 weight 0.10000E+01 volume 0.14260E+05 ppm1 1.937 ppm2 2.585 OR { 2902} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "26 " and name "HG3 ")) ASSI { 2904} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "59 " and name "HD3 ")) 3.000 1.100 1.100 peak 2904 weight 0.10000E+01 volume 0.73070E+04 ppm1 2.224 ppm2 3.049 OR { 2904} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "59 " and name "HD2 ")) ASSI { 2907} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "53 " and name "HB3 ")) 3.600 1.600 1.600 peak 2907 weight 0.10000E+01 volume 0.28400E+04 ppm1 1.453 ppm2 2.890 ASSI { 2908} (( segid " " and resid "71 " and name "HB2 ") OR ( segid " " and resid "71 " and name "HB3 ") OR ( segid " " and resid "71 " and name "HB1 ")) (( segid " " and resid "70 " and name "HB2 ")) 3.000 1.100 1.100 peak 2908 weight 0.10000E+01 volume 0.81880E+04 ppm1 1.365 ppm2 2.360 ASSI { 2912} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "15 " and name "HE3 ")) 3.300 1.400 1.400 peak 2912 weight 0.10000E+01 volume 0.46520E+04 ppm1 0.960 ppm2 2.421 ASSI { 2913} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "15 " and name "HE3 ")) 2.500 0.800 0.800 peak 2913 weight 0.10000E+01 volume 0.25380E+05 ppm1 0.858 ppm2 2.420 ASSI { 2914} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "70 " and name "HB2 ")) 3.500 1.500 1.500 peak 2914 weight 0.10000E+01 volume 0.33970E+04 ppm1 0.971 ppm2 2.354 ASSI { 2915} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "21 " and name "HG2 ")) 3.400 3.400 3.600 peak 2915 weight 0.10000E+01 volume 0.35700E+04 ppm1 1.097 ppm2 2.439 ASSI { 2916} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "21 " and name "HG3 ")) 3.000 1.100 1.100 peak 2916 weight 0.10000E+01 volume 0.75590E+04 ppm1 0.646 ppm2 2.330 ASSI { 2917} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "21 " and name "HB2 ")) 3.200 1.300 1.300 peak 2917 weight 0.10000E+01 volume 0.59030E+04 ppm1 0.645 ppm2 2.221 ASSI { 2918} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "70 " and name "HB2 ")) 3.300 1.400 1.400 peak 2918 weight 0.10000E+01 volume 0.48640E+04 ppm1 0.762 ppm2 2.354 ASSI { 2919} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "36 " and name "HB3 ")) 4.000 2.000 2.000 peak 2919 weight 0.10000E+01 volume 0.13200E+04 ppm1 0.574 ppm2 2.237 ASSI { 2920} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "21 " and name "HG2 ")) 4.900 3.000 2.100 peak 2920 weight 0.10000E+01 volume 0.42700E+03 ppm1 0.644 ppm2 2.427 ASSI { 2921} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "41 " and name "HB ")) 3.600 1.600 1.600 peak 2921 weight 0.10000E+01 volume 0.28800E+04 ppm1 0.257 ppm2 1.971 ASSI { 2922} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "33 " and name "HB2 ")) 3.900 1.900 1.900 peak 2922 weight 0.10000E+01 volume 0.17170E+04 ppm1 0.255 ppm2 2.034 ASSI { 2924} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "64 " and name "HB3 ")) 2.400 0.700 0.700 peak 2924 weight 0.10000E+01 volume 0.31390E+05 ppm1 0.469 ppm2 1.757 ASSI { 2925} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "26 " and name "HB2 ")) 2.300 0.700 0.700 peak 2925 weight 0.10000E+01 volume 0.41470E+05 ppm1 0.461 ppm2 2.092 ASSI { 2927} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "19 " and name "HG2 ")) 3.000 1.100 1.100 peak 2927 weight 0.10000E+01 volume 0.83030E+04 ppm1 0.487 ppm2 1.616 ASSI { 2928} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) 2.400 0.700 0.700 peak 2928 weight 0.10000E+01 volume 0.29820E+05 ppm1 0.574 ppm2 1.512 ASSI { 2929} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) 3.100 1.200 1.200 peak 2929 weight 0.10000E+01 volume 0.71250E+04 ppm1 0.257 ppm2 1.510 ASSI { 2931} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 3.000 1.100 1.100 peak 2931 weight 0.10000E+01 volume 0.74410E+04 ppm1 0.252 ppm2 0.925 ASSI { 2932} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) 2.200 0.600 0.600 peak 2932 weight 0.10000E+01 volume 0.47160E+05 ppm1 0.257 ppm2 0.673 ASSI { 2933} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) 2.200 0.600 0.600 peak 2933 weight 0.10000E+01 volume 0.52950E+05 ppm1 0.256 ppm2 0.579 ASSI { 2939} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) 2.500 0.800 0.800 peak 2939 weight 0.10000E+01 volume 0.21180E+05 ppm1 1.391 ppm2 0.520 ASSI { 2940} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) 2.400 0.700 0.700 peak 2940 weight 0.10000E+01 volume 0.28360E+05 ppm1 1.458 ppm2 0.489 ASSI { 2941} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) 2.000 0.500 0.500 peak 2941 weight 0.10000E+01 volume 0.86930E+05 ppm1 1.457 ppm2 0.442 ASSI { 2943} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) 2.500 0.800 0.800 peak 2943 weight 0.10000E+01 volume 0.22370E+05 ppm1 1.391 ppm2 0.778 ASSI { 2944} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) 2.500 0.800 0.800 peak 2944 weight 0.10000E+01 volume 0.23540E+05 ppm1 1.410 ppm2 0.745 ASSI { 2945} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) 2.300 0.700 0.700 peak 2945 weight 0.10000E+01 volume 0.36500E+05 ppm1 1.536 ppm2 0.872 OR { 2945} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) ASSI { 2947} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) 2.200 2.200 4.800 peak 2947 weight 0.10000E+01 volume 0.49480E+05 ppm1 1.885 ppm2 0.521 ASSI { 2949} (( segid " " and resid "21 " and name "HB3 ")) (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) 2.700 0.900 0.900 peak 2949 weight 0.10000E+01 volume 0.14450E+05 ppm1 1.965 ppm2 0.649 ASSI { 2953} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) 3.100 1.200 1.200 peak 2953 weight 0.10000E+01 volume 0.68180E+04 ppm1 1.948 ppm2 0.846 ASSI { 2954} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) 2.400 0.700 0.700 peak 2954 weight 0.10000E+01 volume 0.32750E+05 ppm1 1.945 ppm2 0.950 ASSI { 2955} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) 2.400 2.400 4.600 peak 2955 weight 0.10000E+01 volume 0.28550E+05 ppm1 1.874 ppm2 0.951 ASSI { 2962} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) 2.200 0.600 0.600 peak 2962 weight 0.10000E+01 volume 0.47820E+05 ppm1 2.064 ppm2 0.849 ASSI { 2968} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "69 " and name "HB3 ")) 3.000 1.100 1.100 peak 2968 weight 0.10000E+01 volume 0.86170E+04 ppm1 0.487 ppm2 1.550 ASSI { 2973} (( segid " " and resid "30 " and name "HA ")) (( segid " " and resid "31 " and name "HA ")) 4.300 2.300 2.300 peak 2973 weight 0.10000E+01 volume 0.92320E+03 ppm1 3.201 ppm2 4.149 ASSI { 2975} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "7 " and name "HA ")) 3.400 1.400 1.400 peak 2975 weight 0.10000E+01 volume 0.34350E+04 ppm1 1.337 ppm2 4.123 ASSI { 2976} (( segid " " and resid "10 " and name "HB2 ")) (( segid " " and resid "7 " and name "HA ")) 2.700 2.700 4.300 peak 2976 weight 0.10000E+01 volume 0.15850E+05 ppm1 1.835 ppm2 4.129 ASSI { 2977} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "9 " and name "HA ")) 3.200 1.300 1.300 peak 2977 weight 0.10000E+01 volume 0.51700E+04 ppm1 1.922 ppm2 4.198 ASSI { 2978} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "10 " and name "HA ")) 2.500 0.800 0.800 peak 2978 weight 0.10000E+01 volume 0.25630E+05 ppm1 1.508 ppm2 3.299 ASSI { 2979} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "11 " and name "HA ")) 2.400 0.700 0.700 peak 2979 weight 0.10000E+01 volume 0.28870E+05 ppm1 2.858 ppm2 3.360 ASSI { 2980} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "11 " and name "HA ")) 2.200 0.600 0.600 peak 2980 weight 0.10000E+01 volume 0.46490E+05 ppm1 3.157 ppm2 3.357 ASSI { 2981} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "12 " and name "HA ")) 2.500 0.800 0.800 peak 2981 weight 0.10000E+01 volume 0.21260E+05 ppm1 1.829 ppm2 3.902 ASSI { 2983} (( segid " " and resid "16 " and name "HB2 ") OR ( segid " " and resid "16 " and name "HB3 ") OR ( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "13 " and name "HA ")) 2.500 0.800 0.800 peak 2983 weight 0.10000E+01 volume 0.21120E+05 ppm1 1.532 ppm2 4.200 ASSI { 2984} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "14 " and name "HA ")) 2.900 1.100 1.100 peak 2984 weight 0.10000E+01 volume 0.89870E+04 ppm1 1.828 ppm2 3.861 ASSI { 2986} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "14 " and name "HA ")) 5.200 3.400 1.800 peak 2986 weight 0.10000E+01 volume 0.28060E+03 ppm1 1.211 ppm2 3.860 ASSI { 2989} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "15 " and name "HA ")) 2.800 1.000 1.000 peak 2989 weight 0.10000E+01 volume 0.12250E+05 ppm1 1.885 ppm2 3.440 ASSI { 2991} (( segid " " and resid "19 " and name "HB3 ")) (( segid " " and resid "16 " and name "HA ")) 2.400 0.700 0.700 peak 2991 weight 0.10000E+01 volume 0.28710E+05 ppm1 1.938 ppm2 4.077 ASSI { 2992} (( segid " " and resid "19 " and name "HB2 ")) (( segid " " and resid "16 " and name "HA ")) 2.500 2.500 4.500 peak 2992 weight 0.10000E+01 volume 0.24830E+05 ppm1 2.021 ppm2 4.074 ASSI { 2994} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "16 " and name "HA ")) 3.100 1.200 1.200 peak 2994 weight 0.10000E+01 volume 0.64550E+04 ppm1 1.629 ppm2 4.074 ASSI { 2997} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "25 " and name "HA ")) 4.600 2.600 2.400 peak 2997 weight 0.10000E+01 volume 0.58640E+03 ppm1 2.489 ppm2 5.283 ASSI { 2998} (( segid " " and resid "26 " and name "HG3 ")) (( segid " " and resid "25 " and name "HA ")) 3.700 1.700 1.700 peak 2998 weight 0.10000E+01 volume 0.21280E+04 ppm1 2.591 ppm2 5.286 OR { 2998} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "25 " and name "HA ")) ASSI { 2999} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "27 " and name "HA2 ")) 2.300 0.700 0.700 peak 2999 weight 0.10000E+01 volume 0.35050E+05 ppm1 2.232 ppm2 3.718 ASSI { 3004} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "29 " and name "HA ")) 2.400 0.700 0.700 peak 3004 weight 0.10000E+01 volume 0.30140E+05 ppm1 1.397 ppm2 3.154 ASSI { 3005} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "30 " and name "HA ")) 4.300 2.300 2.300 peak 3005 weight 0.10000E+01 volume 0.87590E+03 ppm1 1.269 ppm2 3.210 ASSI { 3006} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "30 " and name "HA ")) 2.800 1.000 1.000 peak 3006 weight 0.10000E+01 volume 0.11420E+05 ppm1 0.669 ppm2 3.211 ASSI { 3008} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "30 " and name "HA ")) 3.000 1.100 1.100 peak 3008 weight 0.10000E+01 volume 0.78330E+04 ppm1 2.025 ppm2 3.213 ASSI { 3009} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "31 " and name "HA ")) 2.600 0.800 0.800 peak 3009 weight 0.10000E+01 volume 0.20280E+05 ppm1 2.330 ppm2 4.161 ASSI { 3011} (( segid " " and resid "34 " and name "HB3 ")) (( segid " " and resid "31 " and name "HA ")) 2.500 2.500 4.500 peak 3011 weight 0.10000E+01 volume 0.21960E+05 ppm1 2.040 ppm2 4.161 ASSI { 3014} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "32 " and name "HA ")) 2.800 1.000 1.000 peak 3014 weight 0.10000E+01 volume 0.11210E+05 ppm1 2.283 ppm2 4.235 ASSI { 3016} (( segid " " and resid "36 " and name "HG3 ")) (( segid " " and resid "33 " and name "HA ")) 3.500 1.500 1.500 peak 3016 weight 0.10000E+01 volume 0.30780E+04 ppm1 2.804 ppm2 4.223 OR { 3016} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "33 " and name "HA ")) ASSI { 3019} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "43 " and name "HA ")) 2.300 0.700 0.700 peak 3019 weight 0.10000E+01 volume 0.38950E+05 ppm1 2.057 ppm2 3.607 ASSI { 3020} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "43 " and name "HA ")) 2.900 1.100 1.100 peak 3020 weight 0.10000E+01 volume 0.92710E+04 ppm1 0.950 ppm2 3.608 ASSI { 3021} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "43 " and name "HA ")) 2.600 2.600 4.400 peak 3021 weight 0.10000E+01 volume 0.16960E+05 ppm1 0.901 ppm2 3.608 ASSI { 3023} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "45 " and name "HA ")) 2.500 0.800 0.800 peak 3023 weight 0.10000E+01 volume 0.26390E+05 ppm1 1.932 ppm2 3.999 ASSI { 3024} (( segid " " and resid "48 " and name "HB3 ")) (( segid " " and resid "45 " and name "HA ")) 2.500 2.500 4.500 peak 3024 weight 0.10000E+01 volume 0.22690E+05 ppm1 1.856 ppm2 3.999 ASSI { 3025} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "46 " and name "HA ")) 2.500 0.800 0.800 peak 3025 weight 0.10000E+01 volume 0.22930E+05 ppm1 1.480 ppm2 3.435 ASSI { 3026} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "46 " and name "HA ")) 2.900 2.900 4.100 peak 3026 weight 0.10000E+01 volume 0.90490E+04 ppm1 1.057 ppm2 3.436 ASSI { 3030} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "46 " and name "HA ")) 2.800 2.800 4.200 peak 3030 weight 0.10000E+01 volume 0.11330E+05 ppm1 1.409 ppm2 3.438 ASSI { 3035} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "50 " and name "HA ")) 3.300 1.400 1.400 peak 3035 weight 0.10000E+01 volume 0.41560E+04 ppm1 2.878 ppm2 4.024 ASSI { 3036} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "50 " and name "HA ")) 3.500 1.500 1.500 peak 3036 weight 0.10000E+01 volume 0.31610E+04 ppm1 3.480 ppm2 4.024 ASSI { 3037} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "50 " and name "HA ")) 2.300 0.700 0.700 peak 3037 weight 0.10000E+01 volume 0.38170E+05 ppm1 1.455 ppm2 4.025 ASSI { 3038} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "47 " and name "HB2 ")) 3.100 1.200 1.200 peak 3038 weight 0.10000E+01 volume 0.71270E+04 ppm1 1.417 ppm2 4.077 OR { 3038} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "47 " and name "HB3 ")) ASSI { 3040} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "56 " and name "HA ")) 4.200 2.200 2.200 peak 3040 weight 0.10000E+01 volume 0.11040E+04 ppm1 1.345 ppm2 4.683 ASSI { 3041} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "56 " and name "HA ")) 3.500 1.500 1.500 peak 3041 weight 0.10000E+01 volume 0.31640E+04 ppm1 1.460 ppm2 4.683 ASSI { 3044} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "64 " and name "HA ")) 3.700 1.700 1.700 peak 3044 weight 0.10000E+01 volume 0.24170E+04 ppm1 4.718 ppm2 4.337 ASSI { 3045} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "41 " and name "HA ")) 4.100 2.100 2.100 peak 3045 weight 0.10000E+01 volume 0.12810E+04 ppm1 4.716 ppm2 4.140 ASSI { 3046} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "61 " and name "HA ")) 3.900 1.900 1.900 peak 3046 weight 0.10000E+01 volume 0.17580E+04 ppm1 4.843 ppm2 4.165 ASSI { 3047} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "62 " and name "HA ")) 3.800 3.800 3.200 peak 3047 weight 0.10000E+01 volume 0.20160E+04 ppm1 4.848 ppm2 4.321 ASSI { 3051} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "70 " and name "HD3 ")) 2.200 0.600 0.600 peak 3051 weight 0.10000E+01 volume 0.50650E+05 ppm1 4.776 ppm2 3.765 ASSI { 3052} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "70 " and name "HD2 ")) 2.200 0.600 0.600 peak 3052 weight 0.10000E+01 volume 0.55500E+05 ppm1 4.776 ppm2 3.849 ASSI { 3055} (( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "61 " and name "HA ")) 2.800 2.800 4.200 peak 3055 weight 0.10000E+01 volume 0.12050E+05 ppm1 3.713 ppm2 4.163 ASSI { 3058} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "25 " and name "HB2 ")) 3.600 1.600 1.600 peak 3058 weight 0.10000E+01 volume 0.26000E+04 ppm1 3.798 ppm2 4.329 ASSI { 3069} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "56 " and name "HA ")) 3.900 1.900 1.900 peak 3069 weight 0.10000E+01 volume 0.15890E+04 ppm1 1.060 ppm2 4.684 ASSI { 3070} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "39 " and name "HA ")) 3.700 1.700 1.700 peak 3070 weight 0.10000E+01 volume 0.23820E+04 ppm1 0.925 ppm2 4.602 ASSI { 3071} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "8 " and name "HA ")) 3.400 3.400 3.600 peak 3071 weight 0.10000E+01 volume 0.35040E+04 ppm1 0.855 ppm2 4.149 ASSI { 3073} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "16 " and name "HA ")) 3.500 1.500 1.500 peak 3073 weight 0.10000E+01 volume 0.30490E+04 ppm1 3.436 ppm2 4.075 ASSI { 3074} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "26 " and name "HA ")) 3.800 1.800 1.800 peak 3074 weight 0.10000E+01 volume 0.19760E+04 ppm1 3.436 ppm2 3.803 ASSI { 3075} (( segid " " and resid "48 " and name "HD3 ")) (( segid " " and resid "45 " and name "HA ")) 4.700 2.800 2.300 peak 3075 weight 0.10000E+01 volume 0.52950E+03 ppm1 3.150 ppm2 4.001 ASSI { 3076} (( segid " " and resid "48 " and name "HD2 ")) (( segid " " and resid "45 " and name "HA ")) 4.800 2.900 2.200 peak 3076 weight 0.10000E+01 volume 0.50020E+03 ppm1 3.194 ppm2 4.008 ASSI { 3078} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "14 " and name "HA ")) 4.200 2.200 2.200 peak 3078 weight 0.10000E+01 volume 0.10920E+04 ppm1 3.355 ppm2 3.857 ASSI { 3079} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "45 " and name "HA ")) 3.700 1.700 1.700 peak 3079 weight 0.10000E+01 volume 0.22110E+04 ppm1 3.436 ppm2 4.004 ASSI { 3082} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 2.700 2.700 4.300 peak 3082 weight 0.10000E+01 volume 0.16090E+05 ppm1 2.174 ppm2 4.160 ASSI { 3086} (( segid " " and resid "63 " and name "HG3 ")) (( segid " " and resid "59 " and name "HD3 ")) 3.800 1.800 1.800 peak 3086 weight 0.10000E+01 volume 0.18150E+04 ppm1 2.335 ppm2 3.046 OR { 3086} (( segid " " and resid "63 " and name "HG3 ")) (( segid " " and resid "59 " and name "HD2 ")) ASSI { 3087} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "63 " and name "HG2 ")) 3.000 1.100 1.100 peak 3087 weight 0.10000E+01 volume 0.73400E+04 ppm1 2.064 ppm2 2.684 ASSI { 3096} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "45 " and name "HG3 ")) 2.700 2.700 4.300 peak 3096 weight 0.10000E+01 volume 0.13370E+05 ppm1 0.256 ppm2 1.412 ASSI { 3097} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "19 " and name "HG2 ")) 4.000 2.000 2.000 peak 3097 weight 0.10000E+01 volume 0.14600E+04 ppm1 0.422 ppm2 1.614 ASSI { 3101} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) 2.300 0.700 0.700 peak 3101 weight 0.10000E+01 volume 0.41790E+05 ppm1 0.958 ppm2 0.492 ASSI { 3102} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) 2.300 0.700 0.700 peak 3102 weight 0.10000E+01 volume 0.36880E+05 ppm1 0.947 ppm2 0.468 ASSI { 3103} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) 2.700 0.900 0.900 peak 3103 weight 0.10000E+01 volume 0.15460E+05 ppm1 0.947 ppm2 0.530 ASSI { 3105} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) 3.100 1.200 1.200 peak 3105 weight 0.10000E+01 volume 0.60380E+04 ppm1 1.698 ppm2 0.733 OR { 3105} (( segid " " and resid "45 " and name "HD2 ")) (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) ASSI { 3106} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) 3.300 3.300 3.700 peak 3106 weight 0.10000E+01 volume 0.48500E+04 ppm1 1.968 ppm2 0.800 ASSI { 3107} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "58 " and name "HA ")) 3.600 1.600 1.600 peak 3107 weight 0.10000E+01 volume 0.25240E+04 ppm1 4.893 ppm2 4.495 ASSI { 3108} (( segid " " and resid "75 " and name "HB ")) (( segid " " and resid "76 " and name "HD3 ")) 3.200 1.300 1.300 peak 3108 weight 0.10000E+01 volume 0.58490E+04 ppm1 2.094 ppm2 3.713 ASSI { 3114} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.400 2.400 2.400 peak 3114 weight 0.10000E+01 volume 0.75770E+03 ppm1 5.088 ppm2 6.591 ASSI { 3115} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.800 1.800 1.800 peak 3115 weight 0.10000E+01 volume 0.18400E+04 ppm1 4.792 ppm2 6.592 ASSI { 3116} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.900 1.900 1.900 peak 3116 weight 0.10000E+01 volume 0.16040E+04 ppm1 4.677 ppm2 6.590 ASSI { 3119} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.600 2.600 2.400 peak 3119 weight 0.10000E+01 volume 0.65050E+03 ppm1 4.072 ppm2 6.592 ASSI { 3122} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.500 2.500 2.500 peak 3122 weight 0.10000E+01 volume 0.73370E+03 ppm1 4.010 ppm2 6.792 ASSI { 3123} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.100 1.200 1.200 peak 3123 weight 0.10000E+01 volume 0.60960E+04 ppm1 3.432 ppm2 6.793 ASSI { 3125} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.500 1.500 1.500 peak 3125 weight 0.10000E+01 volume 0.33520E+04 ppm1 4.580 ppm2 6.843 ASSI { 3126} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.700 1.700 1.700 peak 3126 weight 0.10000E+01 volume 0.22470E+04 ppm1 4.677 ppm2 6.844 ASSI { 3127} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.100 1.200 1.200 peak 3127 weight 0.10000E+01 volume 0.63450E+04 ppm1 4.789 ppm2 6.844 ASSI { 3128} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.300 1.400 1.400 peak 3128 weight 0.10000E+01 volume 0.45390E+04 ppm1 5.088 ppm2 6.845 ASSI { 3129} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.700 1.700 1.700 peak 3129 weight 0.10000E+01 volume 0.22370E+04 ppm1 5.281 ppm2 6.844 ASSI { 3133} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "14 " and name "HZ ")) 4.200 2.200 2.200 peak 3133 weight 0.10000E+01 volume 0.10680E+04 ppm1 3.798 ppm2 6.961 ASSI { 3134} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 4.200 2.200 2.200 peak 3134 weight 0.10000E+01 volume 0.11170E+04 ppm1 3.795 ppm2 7.014 ASSI { 3137} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "14 " and name "HZ ")) 3.500 3.500 3.500 peak 3137 weight 0.10000E+01 volume 0.29900E+04 ppm1 3.432 ppm2 6.960 ASSI { 3138} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.000 3.000 4.000 peak 3138 weight 0.10000E+01 volume 0.72900E+04 ppm1 3.432 ppm2 7.014 ASSI { 3144} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.700 2.800 2.300 peak 3144 weight 0.10000E+01 volume 0.53760E+03 ppm1 3.478 ppm2 6.793 ASSI { 3146} (( segid " " and resid "26 " and name "HG3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.000 1.100 1.100 peak 3146 weight 0.10000E+01 volume 0.75110E+04 ppm1 2.587 ppm2 6.590 OR { 3146} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) ASSI { 3147} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.200 1.300 1.300 peak 3147 weight 0.10000E+01 volume 0.51920E+04 ppm1 2.084 ppm2 6.590 ASSI { 3149} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.100 2.100 2.100 peak 3149 weight 0.10000E+01 volume 0.11530E+04 ppm1 1.892 ppm2 6.591 ASSI { 3150} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.300 2.300 2.300 peak 3150 weight 0.10000E+01 volume 0.88290E+03 ppm1 2.037 ppm2 6.794 ASSI { 3151} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.000 2.000 2.000 peak 3151 weight 0.10000E+01 volume 0.13180E+04 ppm1 1.832 ppm2 6.794 ASSI { 3152} (( segid " " and resid "33 " and name "HG ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.100 2.100 2.100 peak 3152 weight 0.10000E+01 volume 0.12030E+04 ppm1 1.741 ppm2 6.792 ASSI { 3154} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.700 1.700 1.700 peak 3154 weight 0.10000E+01 volume 0.23680E+04 ppm1 1.888 ppm2 6.844 ASSI { 3157} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "14 " and name "HZ ")) 4.100 2.100 2.100 peak 3157 weight 0.10000E+01 volume 0.12030E+04 ppm1 2.058 ppm2 6.964 ASSI { 3158} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "14 " and name "HZ ")) 3.800 1.800 1.800 peak 3158 weight 0.10000E+01 volume 0.19640E+04 ppm1 2.162 ppm2 6.963 ASSI { 3160} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.800 1.800 1.800 peak 3160 weight 0.10000E+01 volume 0.19890E+04 ppm1 2.056 ppm2 7.012 ASSI { 3161} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 4.900 3.000 2.100 peak 3161 weight 0.10000E+01 volume 0.39700E+03 ppm1 2.160 ppm2 7.011 ASSI { 3162} (( segid " " and resid "57 " and name "HD2 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.200 1.300 1.300 peak 3162 weight 0.10000E+01 volume 0.49180E+04 ppm1 2.776 ppm2 6.845 ASSI { 3163} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "38 " and name "HZ ")) 2.400 0.700 0.700 peak 3163 weight 0.10000E+01 volume 0.27630E+05 ppm1 2.393 ppm2 7.070 ASSI { 3164} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "38 " and name "HZ ")) 3.200 1.300 1.300 peak 3164 weight 0.10000E+01 volume 0.49550E+04 ppm1 2.500 ppm2 7.069 ASSI { 3166} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.800 1.800 1.800 peak 3166 weight 0.10000E+01 volume 0.18640E+04 ppm1 1.415 ppm2 6.591 ASSI { 3167} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.400 1.400 1.400 peak 3167 weight 0.10000E+01 volume 0.38750E+04 ppm1 1.346 ppm2 6.591 ASSI { 3168} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.200 1.300 1.300 peak 3168 weight 0.10000E+01 volume 0.49990E+04 ppm1 1.060 ppm2 6.591 ASSI { 3169} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.000 2.000 2.000 peak 3169 weight 0.10000E+01 volume 0.14220E+04 ppm1 0.951 ppm2 6.592 ASSI { 3170} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.300 2.300 2.300 peak 3170 weight 0.10000E+01 volume 0.89230E+03 ppm1 0.752 ppm2 6.591 ASSI { 3171} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.400 1.400 1.400 peak 3171 weight 0.10000E+01 volume 0.34320E+04 ppm1 0.702 ppm2 6.591 ASSI { 3172} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.000 1.100 1.100 peak 3172 weight 0.10000E+01 volume 0.79120E+04 ppm1 0.516 ppm2 6.591 ASSI { 3173} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 2.400 0.700 0.700 peak 3173 weight 0.10000E+01 volume 0.27250E+05 ppm1 0.453 ppm2 6.590 OR { 3173} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) ASSI { 3174} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.900 1.100 1.100 peak 3174 weight 0.10000E+01 volume 0.10140E+05 ppm1 1.537 ppm2 6.793 OR { 3174} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3175} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.500 1.500 1.500 peak 3175 weight 0.10000E+01 volume 0.29400E+04 ppm1 1.458 ppm2 6.794 ASSI { 3176} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.000 3.000 4.000 peak 3176 weight 0.10000E+01 volume 0.86160E+04 ppm1 1.407 ppm2 6.794 ASSI { 3177} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.800 1.800 1.800 peak 3177 weight 0.10000E+01 volume 0.19540E+04 ppm1 1.280 ppm2 6.792 ASSI { 3180} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.100 1.200 1.200 peak 3180 weight 0.10000E+01 volume 0.59680E+04 ppm1 0.941 ppm2 6.792 ASSI { 3181} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.100 1.200 1.200 peak 3181 weight 0.10000E+01 volume 0.64250E+04 ppm1 0.906 ppm2 6.793 ASSI { 3182} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.400 1.400 1.400 peak 3182 weight 0.10000E+01 volume 0.37010E+04 ppm1 0.864 ppm2 6.792 ASSI { 3184} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.700 0.900 0.900 peak 3184 weight 0.10000E+01 volume 0.16140E+05 ppm1 0.705 ppm2 6.791 OR { 3184} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3186} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.100 1.200 1.200 peak 3186 weight 0.10000E+01 volume 0.61340E+04 ppm1 0.567 ppm2 6.792 ASSI { 3187} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 3.000 3.000 4.000 peak 3187 weight 0.10000E+01 volume 0.74220E+04 ppm1 0.516 ppm2 6.792 ASSI { 3192} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.300 3.300 3.700 peak 3192 weight 0.10000E+01 volume 0.42820E+04 ppm1 1.404 ppm2 7.016 ASSI { 3193} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "14 " and name "HZ ")) 3.300 1.400 1.400 peak 3193 weight 0.10000E+01 volume 0.47430E+04 ppm1 1.407 ppm2 6.961 ASSI { 3195} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.600 1.600 1.600 peak 3195 weight 0.10000E+01 volume 0.28320E+04 ppm1 1.344 ppm2 6.844 ASSI { 3196} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.200 1.300 1.300 peak 3196 weight 0.10000E+01 volume 0.49490E+04 ppm1 1.059 ppm2 6.844 ASSI { 3197} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.900 1.900 1.900 peak 3197 weight 0.10000E+01 volume 0.17600E+04 ppm1 0.957 ppm2 6.844 ASSI { 3198} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.000 1.100 1.100 peak 3198 weight 0.10000E+01 volume 0.75570E+04 ppm1 0.702 ppm2 6.845 ASSI { 3200} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 2.300 0.700 0.700 peak 3200 weight 0.10000E+01 volume 0.36150E+05 ppm1 0.439 ppm2 6.844 OR { 3200} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) ASSI { 3201} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "14 " and name "HZ ")) 2.800 1.000 1.000 peak 3201 weight 0.10000E+01 volume 0.11200E+05 ppm1 1.460 ppm2 6.962 ASSI { 3202} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.800 1.000 1.000 peak 3202 weight 0.10000E+01 volume 0.10900E+05 ppm1 1.462 ppm2 7.015 ASSI { 3203} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "14 " and name "HZ ")) 3.200 1.300 1.300 peak 3203 weight 0.10000E+01 volume 0.55670E+04 ppm1 1.049 ppm2 6.961 ASSI { 3205} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "14 " and name "HZ ")) 3.500 1.500 1.500 peak 3205 weight 0.10000E+01 volume 0.29530E+04 ppm1 0.905 ppm2 6.963 ASSI { 3206} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "14 " and name "HZ ")) 3.400 1.400 1.400 peak 3206 weight 0.10000E+01 volume 0.39990E+04 ppm1 0.705 ppm2 6.966 OR { 3206} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "14 " and name "HZ ")) ASSI { 3207} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) 2.700 0.900 0.900 peak 3207 weight 0.10000E+01 volume 0.14070E+05 ppm1 0.484 ppm2 6.962 ASSI { 3208} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) 2.200 0.600 0.600 peak 3208 weight 0.10000E+01 volume 0.51740E+05 ppm1 0.438 ppm2 6.960 ASSI { 3209} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "14 " and name "HZ ")) 3.300 1.400 1.400 peak 3209 weight 0.10000E+01 volume 0.45370E+04 ppm1 0.523 ppm2 6.962 ASSI { 3210} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.000 1.100 1.100 peak 3210 weight 0.10000E+01 volume 0.81720E+04 ppm1 0.521 ppm2 7.016 ASSI { 3212} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.400 0.700 0.700 peak 3212 weight 0.10000E+01 volume 0.30440E+05 ppm1 0.436 ppm2 7.014 OR { 3212} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) ASSI { 3213} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.500 0.800 0.800 peak 3213 weight 0.10000E+01 volume 0.23800E+05 ppm1 0.705 ppm2 7.016 OR { 3213} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) ASSI { 3214} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 2.700 0.900 0.900 peak 3214 weight 0.10000E+01 volume 0.14790E+05 ppm1 0.902 ppm2 7.016 ASSI { 3216} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.000 1.100 1.100 peak 3216 weight 0.10000E+01 volume 0.73120E+04 ppm1 1.052 ppm2 7.015 ASSI { 3217} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.700 1.700 1.700 peak 3217 weight 0.10000E+01 volume 0.21590E+04 ppm1 1.282 ppm2 7.017 ASSI { 3218} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "14 " and name "HZ ")) 4.600 2.600 2.400 peak 3218 weight 0.10000E+01 volume 0.61300E+03 ppm1 1.280 ppm2 6.960 ASSI { 3219} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "38 " and name "HZ ")) 3.700 1.700 1.700 peak 3219 weight 0.10000E+01 volume 0.22320E+04 ppm1 1.295 ppm2 7.069 ASSI { 3221} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "38 " and name "HZ ")) 3.900 1.900 1.900 peak 3221 weight 0.10000E+01 volume 0.15940E+04 ppm1 0.571 ppm2 7.069 ASSI { 3224} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 5.100 3.300 1.900 peak 3224 weight 0.10000E+01 volume 0.34160E+03 ppm1 3.433 ppm2 7.226 ASSI { 3226} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 2.900 1.100 1.100 peak 3226 weight 0.10000E+01 volume 0.88130E+04 ppm1 4.207 ppm2 7.257 ASSI { 3227} (( segid " " and resid "37 " and name "HA1 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 3.300 1.400 1.400 peak 3227 weight 0.10000E+01 volume 0.45640E+04 ppm1 4.118 ppm2 7.258 ASSI { 3229} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.400 1.400 1.400 peak 3229 weight 0.10000E+01 volume 0.35700E+04 ppm1 3.988 ppm2 7.279 ASSI { 3230} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.600 1.600 1.600 peak 3230 weight 0.10000E+01 volume 0.25790E+04 ppm1 4.187 ppm2 7.279 ASSI { 3231} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.200 1.300 1.300 peak 3231 weight 0.10000E+01 volume 0.49310E+04 ppm1 4.283 ppm2 7.279 ASSI { 3232} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 4.400 2.400 2.400 peak 3232 weight 0.10000E+01 volume 0.78810E+03 ppm1 4.514 ppm2 7.279 ASSI { 3234} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.100 1.200 1.200 peak 3234 weight 0.10000E+01 volume 0.68410E+04 ppm1 4.124 ppm2 7.451 ASSI { 3242} (( segid " " and resid "15 " and name "HE3 ")) (( segid " " and resid "53 " and name "HZ ")) 3.800 1.800 1.800 peak 3242 weight 0.10000E+01 volume 0.17790E+04 ppm1 2.410 ppm2 7.339 ASSI { 3243} (( segid " " and resid "52 " and name "HE2 ")) (( segid " " and resid "53 " and name "HZ ")) 3.800 1.800 1.800 peak 3243 weight 0.10000E+01 volume 0.20580E+04 ppm1 2.779 ppm2 7.341 ASSI { 3246} (( segid " " and resid "49 " and name "HG2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.500 1.500 1.500 peak 3246 weight 0.10000E+01 volume 0.33100E+04 ppm1 2.607 ppm2 7.513 ASSI { 3247} (( segid " " and resid "15 " and name "HE3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.600 1.600 1.600 peak 3247 weight 0.10000E+01 volume 0.28460E+04 ppm1 2.412 ppm2 7.223 ASSI { 3248} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 2.400 0.700 0.700 peak 3248 weight 0.10000E+01 volume 0.29480E+05 ppm1 2.487 ppm2 7.279 ASSI { 3249} (( segid " " and resid "22 " and name "HE2 ")) (( segid " " and resid "23 " and name "HZ ")) 3.000 1.100 1.100 peak 3249 weight 0.10000E+01 volume 0.84680E+04 ppm1 2.698 ppm2 7.353 OR { 3249} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "23 " and name "HZ ")) ASSI { 3250} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "53 " and name "HZ ")) 4.000 2.000 2.000 peak 3250 weight 0.10000E+01 volume 0.14140E+04 ppm1 3.147 ppm2 7.353 ASSI { 3251} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.600 1.600 1.600 peak 3251 weight 0.10000E+01 volume 0.24520E+04 ppm1 3.146 ppm2 7.415 ASSI { 3252} (( segid " " and resid "22 " and name "HE2 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.100 1.200 1.200 peak 3252 weight 0.10000E+01 volume 0.62380E+04 ppm1 2.697 ppm2 7.417 OR { 3252} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) ASSI { 3257} (( segid " " and resid "15 " and name "HE3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.900 1.900 1.900 peak 3257 weight 0.10000E+01 volume 0.16190E+04 ppm1 2.418 ppm2 7.514 ASSI { 3258} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 2.800 1.000 1.000 peak 3258 weight 0.10000E+01 volume 0.11070E+05 ppm1 3.437 ppm2 7.515 ASSI { 3259} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.300 1.400 1.400 peak 3259 weight 0.10000E+01 volume 0.44270E+04 ppm1 2.042 ppm2 7.514 ASSI { 3260} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 2.900 1.100 1.100 peak 3260 weight 0.10000E+01 volume 0.94130E+04 ppm1 1.516 ppm2 7.514 OR { 3260} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) ASSI { 3261} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.800 1.800 1.800 peak 3261 weight 0.10000E+01 volume 0.18950E+04 ppm1 1.721 ppm2 7.517 ASSI { 3262} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.800 1.800 1.800 peak 3262 weight 0.10000E+01 volume 0.19420E+04 ppm1 1.409 ppm2 7.516 ASSI { 3263} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "53 " and name "HZ ")) 3.700 1.700 1.700 peak 3263 weight 0.10000E+01 volume 0.23960E+04 ppm1 1.526 ppm2 7.340 OR { 3263} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "53 " and name "HZ ")) ASSI { 3265} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.000 1.100 1.100 peak 3265 weight 0.10000E+01 volume 0.80350E+04 ppm1 0.959 ppm2 7.515 OR { 3265} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) ASSI { 3266} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 4.000 2.000 2.000 peak 3266 weight 0.10000E+01 volume 0.13890E+04 ppm1 0.860 ppm2 7.514 ASSI { 3269} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.900 1.900 1.900 peak 3269 weight 0.10000E+01 volume 0.16020E+04 ppm1 0.709 ppm2 7.514 ASSI { 3271} (( segid " " and resid "10 " and name "HB2 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.600 1.600 1.600 peak 3271 weight 0.10000E+01 volume 0.25610E+04 ppm1 1.841 ppm2 7.451 ASSI { 3274} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 2.600 0.800 0.800 peak 3274 weight 0.10000E+01 volume 0.18000E+05 ppm1 1.281 ppm2 7.451 ASSI { 3275} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 4.200 2.200 2.200 peak 3275 weight 0.10000E+01 volume 0.10460E+04 ppm1 1.097 ppm2 7.451 ASSI { 3277} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.000 1.100 1.100 peak 3277 weight 0.10000E+01 volume 0.83770E+04 ppm1 0.740 ppm2 7.451 ASSI { 3282} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "23 " and name "HZ ")) 3.400 1.400 1.400 peak 3282 weight 0.10000E+01 volume 0.35920E+04 ppm1 0.519 ppm2 7.355 ASSI { 3286} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "23 " and name "HZ ")) 4.500 2.500 2.500 peak 3286 weight 0.10000E+01 volume 0.71980E+03 ppm1 1.833 ppm2 7.342 ASSI { 3287} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.300 1.400 1.400 peak 3287 weight 0.10000E+01 volume 0.44140E+04 ppm1 1.827 ppm2 7.417 ASSI { 3288} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 2.800 1.000 1.000 peak 3288 weight 0.10000E+01 volume 0.11860E+05 ppm1 3.143 ppm2 7.279 ASSI { 3289} (( segid " " and resid "22 " and name "HE2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 4.300 2.300 2.300 peak 3289 weight 0.10000E+01 volume 0.97910E+03 ppm1 2.692 ppm2 7.279 OR { 3289} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) ASSI { 3290} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.300 1.400 1.400 peak 3290 weight 0.10000E+01 volume 0.41820E+04 ppm1 1.830 ppm2 7.277 ASSI { 3291} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.400 1.400 1.400 peak 3291 weight 0.10000E+01 volume 0.37270E+04 ppm1 1.390 ppm2 7.280 ASSI { 3293} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.600 1.600 1.600 peak 3293 weight 0.10000E+01 volume 0.26410E+04 ppm1 1.095 ppm2 7.279 ASSI { 3295} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.500 1.500 1.500 peak 3295 weight 0.10000E+01 volume 0.33330E+04 ppm1 1.289 ppm2 7.281 ASSI { 3296} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.500 1.500 1.500 peak 3296 weight 0.10000E+01 volume 0.32410E+04 ppm1 1.099 ppm2 7.419 ASSI { 3298} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 2.500 0.800 0.800 peak 3298 weight 0.10000E+01 volume 0.26430E+05 ppm1 1.392 ppm2 7.419 ASSI { 3301} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 4.600 2.600 2.400 peak 3301 weight 0.10000E+01 volume 0.61390E+03 ppm1 2.034 ppm2 7.281 ASSI { 3302} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "23 " and name "HZ ")) 5.100 3.300 1.900 peak 3302 weight 0.10000E+01 volume 0.31700E+03 ppm1 2.040 ppm2 7.350 ASSI { 3308} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 2.900 1.100 1.100 peak 3308 weight 0.10000E+01 volume 0.10340E+05 ppm1 0.421 ppm2 7.277 ASSI { 3309} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 2.900 1.100 1.100 peak 3309 weight 0.10000E+01 volume 0.92270E+04 ppm1 0.519 ppm2 7.276 ASSI { 3310} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.300 1.400 1.400 peak 3310 weight 0.10000E+01 volume 0.42890E+04 ppm1 0.652 ppm2 7.276 ASSI { 3313} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "23 " and name "HZ ")) 3.900 1.900 1.900 peak 3313 weight 0.10000E+01 volume 0.17010E+04 ppm1 0.577 ppm2 7.355 ASSI { 3314} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.300 1.400 1.400 peak 3314 weight 0.10000E+01 volume 0.48210E+04 ppm1 0.574 ppm2 7.419 ASSI { 3315} (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 5.000 3.100 2.000 peak 3315 weight 0.10000E+01 volume 0.37910E+03 ppm1 0.253 ppm2 7.016 ASSI { 3318} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 3.300 1.400 1.400 peak 3318 weight 0.10000E+01 volume 0.47480E+04 ppm1 1.297 ppm2 7.257 ASSI { 3324} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.300 1.400 1.400 peak 3324 weight 0.10000E+01 volume 0.45680E+04 ppm1 2.048 ppm2 7.225 ASSI { 3326} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.000 1.100 1.100 peak 3326 weight 0.10000E+01 volume 0.77730E+04 ppm1 1.518 ppm2 7.224 OR { 3326} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) ASSI { 3331} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.600 1.600 1.600 peak 3331 weight 0.10000E+01 volume 0.25980E+04 ppm1 0.953 ppm2 7.231 OR { 3331} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) ASSI { 3335} (( segid " " and resid "26 " and name "HG3 ")) (( segid " " and resid "26 " and name "HA ")) 3.000 1.100 1.100 peak 3335 weight 0.10000E+01 volume 0.86460E+04 ppm1 2.598 ppm2 3.801 OR { 3335} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "26 " and name "HA ")) ASSI { 3338} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "26 " and name "HA ")) 3.300 1.400 1.400 peak 3338 weight 0.10000E+01 volume 0.48690E+04 ppm1 0.705 ppm2 3.804 OR { 3338} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "26 " and name "HA ")) ASSI { 3343} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "26 " and name "HA ")) 2.500 0.800 0.800 peak 3343 weight 0.10000E+01 volume 0.23350E+05 ppm1 0.520 ppm2 3.802 ASSI { 3344} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "26 " and name "HA ")) 3.300 1.400 1.400 peak 3344 weight 0.10000E+01 volume 0.41700E+04 ppm1 0.419 ppm2 3.802 ASSI { 3345} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "57 " and name "HA ")) 2.200 0.600 0.600 peak 3345 weight 0.10000E+01 volume 0.54380E+05 ppm1 4.963 ppm2 5.095 ASSI { 3346} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "59 " and name "HA ")) 2.300 0.700 0.700 peak 3346 weight 0.10000E+01 volume 0.44400E+05 ppm1 4.722 ppm2 4.900 ASSI { 3347} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "26 " and name "HA ")) 2.600 2.600 4.400 peak 3347 weight 0.10000E+01 volume 0.16800E+05 ppm1 1.962 ppm2 3.804 ASSI { 3349} (( segid " " and resid "69 " and name "HG ")) (( segid " " and resid "70 " and name "HD2 ")) 3.400 1.400 1.400 peak 3349 weight 0.10000E+01 volume 0.39840E+04 ppm1 1.683 ppm2 3.846 ASSI { 3350} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "53 " and name "HB2 ")) 4.100 2.100 2.100 peak 3350 weight 0.10000E+01 volume 0.11710E+04 ppm1 1.460 ppm2 3.486 ASSI { 3351} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "53 " and name "HB2 ")) 4.200 2.200 2.200 peak 3351 weight 0.10000E+01 volume 0.10290E+04 ppm1 1.542 ppm2 3.488 OR { 3351} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "53 " and name "HB2 ")) ASSI { 3354} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 2.700 0.900 0.900 peak 3354 weight 0.10000E+01 volume 0.14830E+05 ppm1 7.009 ppm2 7.517 ASSI { 3356} (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.200 1.300 1.300 peak 3356 weight 0.10000E+01 volume 0.58610E+04 ppm1 6.788 ppm2 7.516 ASSI { 3359} (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.100 1.200 1.200 peak 3359 weight 0.10000E+01 volume 0.63260E+04 ppm1 6.784 ppm2 7.231 ASSI { 3360} (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 1.900 0.500 0.500 peak 3360 weight 0.10000E+01 volume 0.13370E+06 ppm1 6.789 ppm2 7.016 ASSI { 3365} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "43 " and name "HA ")) 3.900 1.900 1.900 peak 3365 weight 0.10000E+01 volume 0.15390E+04 ppm1 4.712 ppm2 3.617 ASSI { 12} (( segid " " and resid "1 " and name "HB3 ")) (( segid " " and resid "1 " and name "HG2 ")) 6.000 6.000 1.000 peak 12 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.137 ppm2 2.387 OR { 12} (( segid " " and resid "1 " and name "HB2 ")) (( segid " " and resid "1 " and name "HG3 ")) OR { 12} (( segid " " and resid "1 " and name "HB2 ")) (( segid " " and resid "1 " and name "HG2 ")) OR { 12} (( segid " " and resid "1 " and name "HB3 ")) (( segid " " and resid "1 " and name "HG3 ")) ASSI { 14} (( segid " " and resid "1 " and name "HG2 ")) (( segid " " and resid "1 " and name "HA ")) 6.000 6.000 1.000 peak 14 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.387 ppm2 4.140 OR { 14} (( segid " " and resid "1 " and name "HG3 ")) (( segid " " and resid "1 " and name "HA ")) ASSI { 32} (( segid " " and resid "2 " and name "HB2 ")) (( segid " " and resid "2 " and name "HA ")) 6.000 6.000 1.000 peak 32 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.849 ppm2 4.432 ASSI { 36} (( segid " " and resid "2 " and name "HB2 ")) (( segid " " and resid "2 " and name "HD3 ")) 6.000 6.000 1.000 peak 36 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.849 ppm2 3.143 OR { 36} (( segid " " and resid "2 " and name "HB2 ")) (( segid " " and resid "2 " and name "HD2 ")) ASSI { 39} (( segid " " and resid "2 " and name "HB3 ")) (( segid " " and resid "2 " and name "HA ")) 6.000 6.000 1.000 peak 39 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.760 ppm2 4.432 ASSI { 43} (( segid " " and resid "2 " and name "HB3 ")) (( segid " " and resid "2 " and name "HD2 ")) 6.000 6.000 1.000 peak 43 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.760 ppm2 3.143 OR { 43} (( segid " " and resid "2 " and name "HB3 ")) (( segid " " and resid "2 " and name "HD3 ")) ASSI { 47} (( segid " " and resid "2 " and name "HG3 ")) (( segid " " and resid "2 " and name "HB2 ")) 6.000 6.000 1.000 peak 47 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 1.849 OR { 47} (( segid " " and resid "2 " and name "HG2 ")) (( segid " " and resid "2 " and name "HB2 ")) ASSI { 48} (( segid " " and resid "2 " and name "HG2 ")) (( segid " " and resid "2 " and name "HB3 ")) 6.000 6.000 1.000 peak 48 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 1.760 OR { 48} (( segid " " and resid "2 " and name "HG3 ")) (( segid " " and resid "2 " and name "HB3 ")) ASSI { 50} (( segid " " and resid "2 " and name "HG2 ")) (( segid " " and resid "2 " and name "HD2 ")) 6.000 6.000 1.000 peak 50 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 3.143 OR { 50} (( segid " " and resid "2 " and name "HG3 ")) (( segid " " and resid "2 " and name "HD3 ")) OR { 50} (( segid " " and resid "2 " and name "HG2 ")) (( segid " " and resid "2 " and name "HD3 ")) ASSI { 75} (( segid " " and resid "3 " and name "HB2 ")) (( segid " " and resid "3 " and name "HA ")) 6.000 6.000 1.000 peak 75 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.920 ppm2 4.474 ASSI { 79} (( segid " " and resid "3 " and name "HB3 ")) (( segid " " and resid "3 " and name "HA ")) 6.000 6.000 1.000 peak 79 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.881 ppm2 4.474 ASSI { 91} (( segid " " and resid "4 " and name "HB2 ")) (( segid " " and resid "4 " and name "HA ")) 6.000 6.000 1.000 peak 91 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.972 ppm2 4.488 ASSI { 95} (( segid " " and resid "4 " and name "HB3 ")) (( segid " " and resid "4 " and name "HA ")) 6.000 6.000 1.000 peak 95 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.880 ppm2 4.488 ASSI { 96} (( segid " " and resid "4 " and name "HB3 ")) (( segid " " and resid "4 " and name "HB2 ")) 6.000 6.000 1.000 peak 96 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.880 ppm2 3.972 ASSI { 105} (( segid " " and resid "5 " and name "HB2 ") OR ( segid " " and resid "5 " and name "HB3 ") OR ( segid " " and resid "5 " and name "HB1 ")) (( segid " " and resid "5 " and name "HA ")) 6.000 6.000 1.000 peak 105 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.352 ppm2 4.350 ASSI { 124} (( segid " " and resid "6 " and name "HB2 ")) (( segid " " and resid "6 " and name "HA ")) 6.000 6.000 1.000 peak 124 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.021 ppm2 4.346 ASSI { 130} (( segid " " and resid "6 " and name "HB2 ")) (( segid " " and resid "6 " and name "HE3 ")) 6.000 6.000 1.000 peak 130 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.021 ppm2 2.980 OR { 130} (( segid " " and resid "6 " and name "HB2 ")) (( segid " " and resid "6 " and name "HE2 ")) ASSI { 132} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "6 " and name "HA ")) 6.000 6.000 1.000 peak 132 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.869 ppm2 4.346 ASSI { 133} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "6 " and name "HB2 ")) 6.000 6.000 1.000 peak 133 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.869 ppm2 2.021 ASSI { 138} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "6 " and name "HE2 ")) 6.000 6.000 1.000 peak 138 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.869 ppm2 2.980 OR { 138} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "6 " and name "HE3 ")) ASSI { 141} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HB2 ")) 6.000 6.000 1.000 peak 141 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.578 ppm2 2.021 ASSI { 142} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HB3 ")) 6.000 6.000 1.000 peak 142 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.578 ppm2 1.869 ASSI { 145} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HD3 ")) 6.000 6.000 1.000 peak 145 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.578 ppm2 1.747 OR { 145} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HD2 ")) ASSI { 146} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HE3 ")) 6.000 6.000 1.000 peak 146 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.578 ppm2 2.980 OR { 146} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "6 " and name "HE2 ")) ASSI { 151} (( segid " " and resid "6 " and name "HG3 ")) (( segid " " and resid "6 " and name "HG2 ")) 6.000 6.000 1.000 peak 151 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.505 ppm2 1.578 ASSI { 153} (( segid " " and resid "6 " and name "HG3 ")) (( segid " " and resid "6 " and name "HD3 ")) 6.000 6.000 1.000 peak 153 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.505 ppm2 1.747 OR { 153} (( segid " " and resid "6 " and name "HG3 ")) (( segid " " and resid "6 " and name "HD2 ")) ASSI { 154} (( segid " " and resid "6 " and name "HG3 ")) (( segid " " and resid "6 " and name "HE2 ")) 6.000 6.000 1.000 peak 154 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.505 ppm2 2.980 OR { 154} (( segid " " and resid "6 " and name "HG3 ")) (( segid " " and resid "6 " and name "HE3 ")) ASSI { 156} (( segid " " and resid "6 " and name "HD2 ")) (( segid " " and resid "6 " and name "HA ")) 6.000 6.000 1.000 peak 156 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 4.346 OR { 156} (( segid " " and resid "6 " and name "HD3 ")) (( segid " " and resid "6 " and name "HA ")) ASSI { 157} (( segid " " and resid "6 " and name "HD3 ")) (( segid " " and resid "6 " and name "HB2 ")) 6.000 6.000 1.000 peak 157 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 2.021 OR { 157} (( segid " " and resid "6 " and name "HD2 ")) (( segid " " and resid "6 " and name "HB2 ")) ASSI { 162} (( segid " " and resid "6 " and name "HD3 ")) (( segid " " and resid "6 " and name "HE3 ")) 6.000 6.000 1.000 peak 162 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 2.980 OR { 162} (( segid " " and resid "6 " and name "HD3 ")) (( segid " " and resid "6 " and name "HE2 ")) OR { 162} (( segid " " and resid "6 " and name "HD2 ")) (( segid " " and resid "6 " and name "HE3 ")) OR { 162} (( segid " " and resid "6 " and name "HD2 ")) (( segid " " and resid "6 " and name "HE2 ")) ASSI { 186} (( segid " " and resid "7 " and name "HB2 ")) (( segid " " and resid "7 " and name "HA ")) 6.000 6.000 1.000 peak 186 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.162 ppm2 4.132 ASSI { 189} (( segid " " and resid "7 " and name "HB2 ")) (( segid " " and resid "7 " and name "HG3 ")) 6.000 6.000 1.000 peak 189 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.162 ppm2 2.472 OR { 189} (( segid " " and resid "7 " and name "HB2 ")) (( segid " " and resid "7 " and name "HG2 ")) ASSI { 193} (( segid " " and resid "7 " and name "HB3 ")) (( segid " " and resid "7 " and name "HA ")) 6.000 6.000 1.000 peak 193 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.110 ppm2 4.132 ASSI { 200} (( segid " " and resid "7 " and name "HG2 ")) (( segid " " and resid "7 " and name "HA ")) 6.000 6.000 1.000 peak 200 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 4.132 OR { 200} (( segid " " and resid "7 " and name "HG3 ")) (( segid " " and resid "7 " and name "HA ")) ASSI { 229} (( segid " " and resid "8 " and name "HG2 ")) (( segid " " and resid "8 " and name "HA ")) 6.000 6.000 1.000 peak 229 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.382 ppm2 4.149 OR { 229} (( segid " " and resid "8 " and name "HG3 ")) (( segid " " and resid "8 " and name "HA ")) ASSI { 233} (( segid " " and resid "8 " and name "HB2 ")) (( segid " " and resid "8 " and name "HA ")) 6.000 6.000 1.000 peak 233 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.130 ppm2 4.149 OR { 233} (( segid " " and resid "8 " and name "HB3 ")) (( segid " " and resid "8 " and name "HA ")) ASSI { 234} (( segid " " and resid "8 " and name "HB3 ")) (( segid " " and resid "8 " and name "HG3 ")) 6.000 6.000 1.000 peak 234 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.130 ppm2 2.382 OR { 234} (( segid " " and resid "8 " and name "HB2 ")) (( segid " " and resid "8 " and name "HG3 ")) OR { 234} (( segid " " and resid "8 " and name "HB3 ")) (( segid " " and resid "8 " and name "HG2 ")) ASSI { 247} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "9 " and name "HA ")) 6.000 6.000 1.000 peak 247 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.398 ppm2 4.198 ASSI { 250} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "9 " and name "HG3 ")) 6.000 6.000 1.000 peak 250 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.398 ppm2 2.522 OR { 250} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "9 " and name "HG2 ")) ASSI { 252} (( segid " " and resid "9 " and name "HB3 ")) (( segid " " and resid "9 " and name "HA ")) 6.000 6.000 1.000 peak 252 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.358 ppm2 4.198 ASSI { 255} (( segid " " and resid "9 " and name "HB3 ")) (( segid " " and resid "9 " and name "HG2 ")) 6.000 6.000 1.000 peak 255 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.358 ppm2 2.522 OR { 255} (( segid " " and resid "9 " and name "HB3 ")) (( segid " " and resid "9 " and name "HG3 ")) ASSI { 292} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "10 " and name "HB3 ")) 6.000 6.000 1.000 peak 292 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.091 ppm2 1.337 ASSI { 300} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "10 " and name "HG ")) 6.000 6.000 1.000 peak 300 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.748 ppm2 1.091 ASSI { 333} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) 6.000 6.000 1.000 peak 333 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.864 ppm2 1.099 ASSI { 358} (( segid " " and resid "12 " and name "HB2 ")) (( segid " " and resid "12 " and name "HE2 ")) 6.000 6.000 1.000 peak 358 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.922 ppm2 2.981 OR { 358} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "12 " and name "HE2 ")) OR { 358} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "12 " and name "HE3 ")) ASSI { 360} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HA ")) 6.000 6.000 1.000 peak 360 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 3.902 ASSI { 361} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HB3 ")) 6.000 6.000 1.000 peak 361 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 1.922 OR { 361} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HB2 ")) ASSI { 364} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HD2 ")) 6.000 6.000 1.000 peak 364 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 1.737 ASSI { 365} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HD3 ")) 6.000 6.000 1.000 peak 365 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 1.602 ASSI { 366} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HE3 ")) 6.000 6.000 1.000 peak 366 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 2.981 OR { 366} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "12 " and name "HE2 ")) ASSI { 368} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "12 " and name "HA ")) 6.000 6.000 1.000 peak 368 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.423 ppm2 3.902 ASSI { 370} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "12 " and name "HG2 ")) 6.000 6.000 1.000 peak 370 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.423 ppm2 1.536 ASSI { 372} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "12 " and name "HD2 ")) 6.000 6.000 1.000 peak 372 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.423 ppm2 1.737 ASSI { 374} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "12 " and name "HE2 ")) 6.000 6.000 1.000 peak 374 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.423 ppm2 2.981 OR { 374} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "12 " and name "HE3 ")) ASSI { 376} (( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "12 " and name "HA ")) 6.000 6.000 1.000 peak 376 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 3.902 ASSI { 382} (( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "12 " and name "HE2 ")) 6.000 6.000 1.000 peak 382 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 2.981 OR { 382} (( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "12 " and name "HE3 ")) ASSI { 385} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "12 " and name "HB3 ")) 6.000 6.000 1.000 peak 385 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 1.922 OR { 385} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "12 " and name "HB2 ")) ASSI { 388} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "12 " and name "HD2 ")) 6.000 6.000 1.000 peak 388 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 1.737 ASSI { 390} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "12 " and name "HE3 ")) 6.000 6.000 1.000 peak 390 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.602 ppm2 2.981 OR { 390} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "12 " and name "HE2 ")) ASSI { 406} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "13 " and name "HA ")) 6.000 6.000 1.000 peak 406 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.507 ppm2 4.200 ASSI { 431} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "14 " and name "HB2 ")) 6.000 6.000 1.000 peak 431 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.858 ppm2 3.155 ASSI { 480} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "65 " and name "HG2 ")) 6.000 6.000 1.000 peak 480 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.847 ppm2 2.423 ASSI { 490} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "15 " and name "HA ")) 6.000 6.000 1.000 peak 490 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.928 ppm2 3.440 OR { 490} (( segid " " and resid "15 " and name "HG3 ")) (( segid " " and resid "15 " and name "HA ")) ASSI { 506} (( segid " " and resid "49 " and name "HG2 ")) (( segid " " and resid "46 " and name "HA ")) 6.000 6.000 1.000 peak 506 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.566 ppm2 3.440 ASSI { 548} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HG ")) 6.000 6.000 1.000 peak 548 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.828 ppm2 2.034 ASSI { 552} (( segid " " and resid "17 " and name "HB3 ")) (( segid " " and resid "17 " and name "HA ")) 6.000 6.000 1.000 peak 552 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.211 ppm2 4.284 ASSI { 559} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "17 " and name "HA ")) 6.000 6.000 1.000 peak 559 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.034 ppm2 4.284 ASSI { 577} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) 6.000 6.000 1.000 peak 577 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.515 ppm2 0.777 ASSI { 594} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "18 " and name "HA ")) 6.000 6.000 1.000 peak 594 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.424 ppm2 3.994 ASSI { 598} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "18 " and name "HB2 ")) 6.000 6.000 1.000 peak 598 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.424 ppm2 1.880 ASSI { 601} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "18 " and name "HA ")) 6.000 6.000 1.000 peak 601 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.492 ppm2 3.994 ASSI { 605} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "18 " and name "HB2 ")) 6.000 6.000 1.000 peak 605 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.492 ppm2 1.880 ASSI { 615} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "18 " and name "HA ")) 6.000 6.000 1.000 peak 615 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.880 ppm2 3.994 ASSI { 625} (( segid " " and resid "18 " and name "HB3 ")) (( segid " " and resid "18 " and name "HG ")) 6.000 6.000 1.000 peak 625 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.190 ppm2 1.285 ASSI { 645} (( segid " " and resid "19 " and name "HB2 ")) (( segid " " and resid "19 " and name "HA ")) 6.000 6.000 1.000 peak 645 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.022 ppm2 4.280 ASSI { 663} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "19 " and name "HB3 ")) 6.000 6.000 1.000 peak 663 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.628 ppm2 1.933 ASSI { 666} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "19 " and name "HD2 ")) 6.000 6.000 1.000 peak 666 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.628 ppm2 1.710 OR { 666} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "19 " and name "HD3 ")) ASSI { 675} (( segid " " and resid "19 " and name "HG3 ")) (( segid " " and resid "19 " and name "HE2 ")) 6.000 6.000 1.000 peak 675 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.554 ppm2 2.963 OR { 675} (( segid " " and resid "19 " and name "HG3 ")) (( segid " " and resid "19 " and name "HE3 ")) ASSI { 683} (( segid " " and resid "19 " and name "HD2 ")) (( segid " " and resid "19 " and name "HE2 ")) 6.000 6.000 1.000 peak 683 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.710 ppm2 2.963 OR { 683} (( segid " " and resid "19 " and name "HD2 ")) (( segid " " and resid "19 " and name "HE3 ")) OR { 683} (( segid " " and resid "19 " and name "HD3 ")) (( segid " " and resid "19 " and name "HE2 ")) ASSI { 706} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HG3 ")) 6.000 6.000 1.000 peak 706 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.354 ppm2 2.812 OR { 706} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HG2 ")) ASSI { 709} (( segid " " and resid "20 " and name "HB3 ")) (( segid " " and resid "20 " and name "HB2 ")) 6.000 6.000 1.000 peak 709 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.091 ppm2 2.354 ASSI { 730} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HA ")) 6.000 6.000 1.000 peak 730 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.220 ppm2 3.974 ASSI { 733} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HG2 ")) 6.000 6.000 1.000 peak 733 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.220 ppm2 2.428 ASSI { 734} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HG3 ")) 6.000 6.000 1.000 peak 734 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.220 ppm2 2.322 ASSI { 737} (( segid " " and resid "21 " and name "HB3 ")) (( segid " " and resid "21 " and name "HB2 ")) 6.000 6.000 1.000 peak 737 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.976 ppm2 2.220 ASSI { 739} (( segid " " and resid "21 " and name "HB3 ")) (( segid " " and resid "21 " and name "HG2 ")) 6.000 6.000 1.000 peak 739 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.976 ppm2 2.428 ASSI { 740} (( segid " " and resid "21 " and name "HB3 ")) (( segid " " and resid "21 " and name "HG3 ")) 6.000 6.000 1.000 peak 740 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.976 ppm2 2.322 ASSI { 748} (( segid " " and resid "21 " and name "HG3 ")) (( segid " " and resid "21 " and name "HA ")) 6.000 6.000 1.000 peak 748 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.322 ppm2 3.974 ASSI { 751} (( segid " " and resid "21 " and name "HG3 ")) (( segid " " and resid "21 " and name "HG2 ")) 6.000 6.000 1.000 peak 751 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.322 ppm2 2.428 ASSI { 775} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "22 " and name "HD3 ")) 6.000 6.000 1.000 peak 775 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.297 ppm2 1.376 OR { 775} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "22 " and name "HD2 ")) ASSI { 776} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "22 " and name "HE3 ")) 6.000 6.000 1.000 peak 776 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.297 ppm2 2.696 OR { 776} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "22 " and name "HE2 ")) ASSI { 779} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "22 " and name "HB2 ")) 6.000 6.000 1.000 peak 779 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.094 ppm2 1.297 ASSI { 783} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "22 " and name "HD3 ")) 6.000 6.000 1.000 peak 783 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.094 ppm2 1.376 OR { 783} (( segid " " and resid "22 " and name "HB3 ")) (( segid " " and resid "22 " and name "HD2 ")) ASSI { 795} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "22 " and name "HB2 ")) 6.000 6.000 1.000 peak 795 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.581 ppm2 1.297 ASSI { 808} (( segid " " and resid "22 " and name "HD2 ")) (( segid " " and resid "22 " and name "HE2 ")) 6.000 6.000 1.000 peak 808 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.376 ppm2 2.696 OR { 808} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "22 " and name "HE2 ")) OR { 808} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "22 " and name "HE3 ")) OR { 808} (( segid " " and resid "22 " and name "HD2 ")) (( segid " " and resid "22 " and name "HE3 ")) ASSI { 880} (( segid " " and resid "24 " and name "HB3 ")) (( segid " " and resid "24 " and name "HB2 ")) 6.000 6.000 1.000 peak 880 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.941 ppm2 4.071 ASSI { 896} (( segid " " and resid "25 " and name "HB3 ")) (( segid " " and resid "25 " and name "HB2 ")) 6.000 6.000 1.000 peak 896 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.975 ppm2 4.316 ASSI { 915} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "26 " and name "HB2 ")) 6.000 6.000 1.000 peak 915 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.933 ppm2 2.086 ASSI { 946} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "28 " and name "HG2 ")) 6.000 6.000 1.000 peak 946 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.489 ppm2 2.596 OR { 946} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "28 " and name "HG3 ")) ASSI { 948} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "28 " and name "HA ")) 6.000 6.000 1.000 peak 948 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.405 ppm2 4.187 ASSI { 949} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "28 " and name "HB2 ")) 6.000 6.000 1.000 peak 949 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.405 ppm2 2.489 ASSI { 951} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "28 " and name "HG3 ")) 6.000 6.000 1.000 peak 951 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.405 ppm2 2.596 OR { 951} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "28 " and name "HG2 ")) ASSI { 970} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HA ")) 6.000 6.000 1.000 peak 970 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.959 ppm2 3.150 ASSI { 979} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "29 " and name "HG12")) 6.000 6.000 1.000 peak 979 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.519 ppm2 0.702 OR { 979} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "29 " and name "HG13")) ASSI { 983} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "29 " and name "HB ")) 6.000 6.000 1.000 peak 983 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.702 ppm2 1.959 OR { 983} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "29 " and name "HB ")) ASSI { 990} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) 6.000 6.000 1.000 peak 990 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.416 ppm2 0.519 ASSI { 991} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "29 " and name "HG12")) 6.000 6.000 1.000 peak 991 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.416 ppm2 0.702 OR { 991} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "29 " and name "HG13")) ASSI { 1004} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "30 " and name "HA ")) 6.000 6.000 1.000 peak 1004 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.232 ppm2 3.211 ASSI { 1025} (( segid " " and resid "31 " and name "HB2 ") OR ( segid " " and resid "31 " and name "HB3 ") OR ( segid " " and resid "31 " and name "HB1 ")) (( segid " " and resid "31 " and name "HA ")) 6.000 6.000 1.000 peak 1025 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.496 ppm2 4.161 ASSI { 1034} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "32 " and name "HA ")) 6.000 6.000 1.000 peak 1034 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.394 ppm2 4.234 ASSI { 1054} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) 6.000 6.000 1.000 peak 1054 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.580 ppm2 0.674 ASSI { 1056} (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) (( segid " " and resid "33 " and name "HB3 ")) 6.000 6.000 1.000 peak 1056 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.580 ppm2 1.269 ASSI { 1062} (( segid " " and resid "33 " and name "HG ")) (( segid " " and resid "33 " and name "HB2 ")) 6.000 6.000 1.000 peak 1062 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.741 ppm2 2.025 ASSI { 1102} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "34 " and name "HA ")) 6.000 6.000 1.000 peak 1102 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.330 ppm2 4.141 ASSI { 1111} (( segid " " and resid "34 " and name "HB3 ")) (( segid " " and resid "34 " and name "HB2 ")) 6.000 6.000 1.000 peak 1111 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.040 ppm2 2.330 ASSI { 1113} (( segid " " and resid "34 " and name "HB3 ")) (( segid " " and resid "34 " and name "HG2 ")) 6.000 6.000 1.000 peak 1113 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.040 ppm2 2.611 ASSI { 1118} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "34 " and name "HA ")) 6.000 6.000 1.000 peak 1118 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.611 ppm2 4.141 ASSI { 1126} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "34 " and name "HA ")) 6.000 6.000 1.000 peak 1126 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.495 ppm2 4.141 ASSI { 1129} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "34 " and name "HG2 ")) 6.000 6.000 1.000 peak 1129 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.495 ppm2 2.611 ASSI { 1162} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "35 " and name "HA ")) 6.000 6.000 1.000 peak 1162 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.280 ppm2 4.111 ASSI { 1165} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "35 " and name "HG2 ")) 6.000 6.000 1.000 peak 1165 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.280 ppm2 2.494 ASSI { 1168} (( segid " " and resid "35 " and name "HB3 ")) (( segid " " and resid "35 " and name "HA ")) 6.000 6.000 1.000 peak 1168 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.240 ppm2 4.111 ASSI { 1171} (( segid " " and resid "35 " and name "HB3 ")) (( segid " " and resid "35 " and name "HG2 ")) 6.000 6.000 1.000 peak 1171 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.240 ppm2 2.494 ASSI { 1172} (( segid " " and resid "35 " and name "HB3 ")) (( segid " " and resid "35 " and name "HG3 ")) 6.000 6.000 1.000 peak 1172 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.240 ppm2 2.431 ASSI { 1174} (( segid " " and resid "35 " and name "HG2 ")) (( segid " " and resid "35 " and name "HA ")) 6.000 6.000 1.000 peak 1174 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.494 ppm2 4.111 ASSI { 1183} (( segid " " and resid "35 " and name "HG3 ")) (( segid " " and resid "35 " and name "HG2 ")) 6.000 6.000 1.000 peak 1183 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.431 ppm2 2.494 ASSI { 1203} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HG3 ")) 6.000 6.000 1.000 peak 1203 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 2.804 OR { 1203} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HG2 ")) ASSI { 1208} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "36 " and name "HB2 ")) 6.000 6.000 1.000 peak 1208 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.236 ppm2 2.472 ASSI { 1370} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "41 " and name "HG13")) 6.000 6.000 1.000 peak 1370 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.926 ppm2 1.165 ASSI { 1373} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "41 " and name "HA ")) 6.000 6.000 1.000 peak 1373 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 4.143 ASSI { 1383} (( segid " " and resid "41 " and name "HG13")) (( segid " " and resid "41 " and name "HG12")) 6.000 6.000 1.000 peak 1383 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.165 ppm2 1.441 ASSI { 1389} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 6.000 6.000 1.000 peak 1389 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.725 ppm2 0.926 ASSI { 1413} (( segid " " and resid "42 " and name "HB3 ")) (( segid " " and resid "42 " and name "HB2 ")) 6.000 6.000 1.000 peak 1413 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.020 ppm2 3.215 ASSI { 1450} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "43 " and name "HG3 ")) 6.000 6.000 1.000 peak 1450 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.154 ppm2 2.290 ASSI { 1455} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "43 " and name "HB2 ")) 6.000 6.000 1.000 peak 1455 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.080 ppm2 2.154 ASSI { 1457} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "43 " and name "HG2 ")) 6.000 6.000 1.000 peak 1457 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.080 ppm2 2.419 ASSI { 1458} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "43 " and name "HG3 ")) 6.000 6.000 1.000 peak 1458 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.080 ppm2 2.290 ASSI { 1473} (( segid " " and resid "43 " and name "HG3 ")) (( segid " " and resid "43 " and name "HG2 ")) 6.000 6.000 1.000 peak 1473 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.290 ppm2 2.419 ASSI { 1535} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "45 " and name "HD3 ")) 6.000 6.000 1.000 peak 1535 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.591 ppm2 1.682 OR { 1535} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "45 " and name "HD2 ")) ASSI { 1536} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "45 " and name "HE2 ")) 6.000 6.000 1.000 peak 1536 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.591 ppm2 2.974 ASSI { 1540} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "45 " and name "HG2 ")) 6.000 6.000 1.000 peak 1540 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.405 ppm2 1.591 ASSI { 1542} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "45 " and name "HD2 ")) 6.000 6.000 1.000 peak 1542 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.405 ppm2 1.682 OR { 1542} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "45 " and name "HD3 ")) ASSI { 1546} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "45 " and name "HB3 ")) 6.000 6.000 1.000 peak 1546 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.682 ppm2 1.829 OR { 1546} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "45 " and name "HB2 ")) OR { 1546} (( segid " " and resid "45 " and name "HD2 ")) (( segid " " and resid "45 " and name "HB2 ")) ASSI { 1569} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "46 " and name "HA ")) 6.000 6.000 1.000 peak 1569 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.056 ppm2 3.435 ASSI { 1572} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) 6.000 6.000 1.000 peak 1572 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.056 ppm2 0.903 ASSI { 1574} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "46 " and name "HA ")) 6.000 6.000 1.000 peak 1574 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.950 ppm2 3.435 ASSI { 1579} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "46 " and name "HA ")) 6.000 6.000 1.000 peak 1579 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.903 ppm2 3.435 ASSI { 1617} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "48 " and name "HD3 ")) 6.000 6.000 1.000 peak 1617 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 3.168 ASSI { 1621} (( segid " " and resid "48 " and name "HB3 ")) (( segid " " and resid "48 " and name "HB2 ")) 6.000 6.000 1.000 peak 1621 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.856 ppm2 1.931 ASSI { 1625} (( segid " " and resid "48 " and name "HB3 ")) (( segid " " and resid "48 " and name "HD2 ")) 6.000 6.000 1.000 peak 1625 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.856 ppm2 3.207 ASSI { 1626} (( segid " " and resid "48 " and name "HB3 ")) (( segid " " and resid "48 " and name "HD3 ")) 6.000 6.000 1.000 peak 1626 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.856 ppm2 3.168 ASSI { 1630} (( segid " " and resid "48 " and name "HG2 ")) (( segid " " and resid "48 " and name "HB2 ")) 6.000 6.000 1.000 peak 1630 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 1.931 ASSI { 1631} (( segid " " and resid "48 " and name "HG2 ")) (( segid " " and resid "48 " and name "HB3 ")) 6.000 6.000 1.000 peak 1631 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 1.856 ASSI { 1634} (( segid " " and resid "48 " and name "HG2 ")) (( segid " " and resid "48 " and name "HD2 ")) 6.000 6.000 1.000 peak 1634 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.794 ppm2 3.207 ASSI { 1639} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HB2 ")) 6.000 6.000 1.000 peak 1639 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 1.931 ASSI { 1640} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HB3 ")) 6.000 6.000 1.000 peak 1640 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 1.856 ASSI { 1641} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HG2 ")) 6.000 6.000 1.000 peak 1641 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 1.794 ASSI { 1644} (( segid " " and resid "48 " and name "HG3 ")) (( segid " " and resid "48 " and name "HD3 ")) 6.000 6.000 1.000 peak 1644 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.649 ppm2 3.168 ASSI { 1690} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "49 " and name "HG3 ")) 6.000 6.000 1.000 peak 1690 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.475 ppm2 2.052 ASSI { 1693} (( segid " " and resid "49 " and name "HB3 ")) (( segid " " and resid "49 " and name "HB2 ")) 6.000 6.000 1.000 peak 1693 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.057 ppm2 1.475 ASSI { 1707} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "49 " and name "HG2 ")) 6.000 6.000 1.000 peak 1707 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.052 ppm2 2.570 ASSI { 1734} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "50 " and name "HA ")) 6.000 6.000 1.000 peak 1734 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.890 ppm2 4.024 ASSI { 1735} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "50 " and name "HB2 ")) 6.000 6.000 1.000 peak 1735 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.890 ppm2 2.162 ASSI { 1740} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "50 " and name "HA ")) 6.000 6.000 1.000 peak 1740 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.452 ppm2 4.024 ASSI { 1741} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "50 " and name "HB2 ")) 6.000 6.000 1.000 peak 1741 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.452 ppm2 2.162 OR { 1741} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "50 " and name "HB2 ")) ASSI { 1743} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "50 " and name "HG ")) 6.000 6.000 1.000 peak 1743 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.452 ppm2 1.890 OR { 1743} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "50 " and name "HG ")) ASSI { 1751} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "51 " and name "HB ")) 6.000 6.000 1.000 peak 1751 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.097 ppm2 4.169 ASSI { 1780} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "52 " and name "HA ")) 6.000 6.000 1.000 peak 1780 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.718 ppm2 3.884 ASSI { 1789} (( segid " " and resid "52 " and name "HB3 ")) (( segid " " and resid "52 " and name "HA ")) 6.000 6.000 1.000 peak 1789 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.516 ppm2 3.884 ASSI { 1790} (( segid " " and resid "52 " and name "HB3 ")) (( segid " " and resid "52 " and name "HB2 ")) 6.000 6.000 1.000 peak 1790 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.516 ppm2 1.718 ASSI { 1800} (( segid " " and resid "52 " and name "HG2 ")) (( segid " " and resid "52 " and name "HB3 ")) 6.000 6.000 1.000 peak 1800 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.007 ppm2 1.516 ASSI { 1803} (( segid " " and resid "52 " and name "HG2 ")) (( segid " " and resid "52 " and name "HD2 ")) 6.000 6.000 1.000 peak 1803 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.007 ppm2 1.421 ASSI { 1810} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "52 " and name "HG2 ")) 6.000 6.000 1.000 peak 1810 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.710 ppm2 1.007 ASSI { 1812} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "52 " and name "HD2 ")) 6.000 6.000 1.000 peak 1812 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.710 ppm2 1.421 ASSI { 1814} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "52 " and name "HE3 ")) 6.000 6.000 1.000 peak 1814 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.710 ppm2 2.697 ASSI { 1816} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "52 " and name "HA ")) 6.000 6.000 1.000 peak 1816 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.421 ppm2 3.884 ASSI { 1817} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "52 " and name "HB2 ")) 6.000 6.000 1.000 peak 1817 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.421 ppm2 1.718 ASSI { 1823} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "52 " and name "HE3 ")) 6.000 6.000 1.000 peak 1823 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.421 ppm2 2.697 ASSI { 1832} (( segid " " and resid "52 " and name "HD3 ")) (( segid " " and resid "52 " and name "HE3 ")) 6.000 6.000 1.000 peak 1832 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.255 ppm2 2.697 ASSI { 1834} (( segid " " and resid "52 " and name "HE3 ")) (( segid " " and resid "52 " and name "HA ")) 6.000 6.000 1.000 peak 1834 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.697 ppm2 3.884 ASSI { 1898} (( segid " " and resid "54 " and name "HA2 ")) (( segid " " and resid "54 " and name "HA1 ")) 6.000 6.000 1.000 peak 1898 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.922 ppm2 4.101 ASSI { 1932} (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) 6.000 6.000 1.000 peak 1932 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.766 ppm2 0.978 ASSI { 1960} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HD2 ")) 6.000 6.000 1.000 peak 1960 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.378 ppm2 2.789 ASSI { 1961} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HD3 ")) 6.000 6.000 1.000 peak 1961 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.378 ppm2 2.677 ASSI { 1970} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "57 " and name "HD2 ")) 6.000 6.000 1.000 peak 1970 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.341 ppm2 2.789 ASSI { 1971} (( segid " " and resid "57 " and name "HB3 ")) (( segid " " and resid "57 " and name "HD3 ")) 6.000 6.000 1.000 peak 1971 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.341 ppm2 2.677 ASSI { 1988} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HG2 ")) 6.000 6.000 1.000 peak 1988 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.706 ppm2 1.055 ASSI { 1991} (( segid " " and resid "57 " and name "HG3 ")) (( segid " " and resid "57 " and name "HD3 ")) 6.000 6.000 1.000 peak 1991 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.706 ppm2 2.677 ASSI { 2043} (( segid " " and resid "58 " and name "HB ")) (( segid " " and resid "58 " and name "HA ")) 6.000 6.000 1.000 peak 2043 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.954 ppm2 4.498 ASSI { 2069} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "59 " and name "HD2 ")) 6.000 6.000 1.000 peak 2069 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.710 ppm2 3.043 OR { 2069} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "59 " and name "HD3 ")) ASSI { 2076} (( segid " " and resid "59 " and name "HB3 ")) (( segid " " and resid "59 " and name "HD2 ")) 6.000 6.000 1.000 peak 2076 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.760 ppm2 3.043 OR { 2076} (( segid " " and resid "59 " and name "HB3 ")) (( segid " " and resid "59 " and name "HD3 ")) ASSI { 2080} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "59 " and name "HB2 ")) 6.000 6.000 1.000 peak 2080 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.586 ppm2 1.710 OR { 2080} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "59 " and name "HB2 ")) ASSI { 2081} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "59 " and name "HB3 ")) 6.000 6.000 1.000 peak 2081 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.586 ppm2 1.760 OR { 2081} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "59 " and name "HB3 ")) ASSI { 2083} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "59 " and name "HD3 ")) 6.000 6.000 1.000 peak 2083 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.586 ppm2 3.043 OR { 2083} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "59 " and name "HD2 ")) OR { 2083} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "59 " and name "HD2 ")) ASSI { 2142} (( segid " " and resid "61 " and name "HB2 ") OR ( segid " " and resid "61 " and name "HB3 ") OR ( segid " " and resid "61 " and name "HB1 ")) (( segid " " and resid "61 " and name "HA ")) 6.000 6.000 1.000 peak 2142 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.479 ppm2 4.169 ASSI { 2159} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "62 " and name "HA ")) 6.000 6.000 1.000 peak 2159 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.055 ppm2 4.332 ASSI { 2164} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "62 " and name "HE2 ")) 6.000 6.000 1.000 peak 2164 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.055 ppm2 2.950 OR { 2164} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "62 " and name "HE3 ")) ASSI { 2167} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "62 " and name "HB2 ")) 6.000 6.000 1.000 peak 2167 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.651 ppm2 2.055 ASSI { 2171} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "62 " and name "HE2 ")) 6.000 6.000 1.000 peak 2171 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.651 ppm2 2.950 OR { 2171} (( segid " " and resid "62 " and name "HB3 ")) (( segid " " and resid "62 " and name "HE3 ")) ASSI { 2174} (( segid " " and resid "62 " and name "HG3 ")) (( segid " " and resid "62 " and name "HB2 ")) 6.000 6.000 1.000 peak 2174 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.444 ppm2 2.055 OR { 2174} (( segid " " and resid "62 " and name "HG2 ")) (( segid " " and resid "62 " and name "HB2 ")) ASSI { 2175} (( segid " " and resid "62 " and name "HG3 ")) (( segid " " and resid "62 " and name "HB3 ")) 6.000 6.000 1.000 peak 2175 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.444 ppm2 1.651 OR { 2175} (( segid " " and resid "62 " and name "HG2 ")) (( segid " " and resid "62 " and name "HB3 ")) ASSI { 2178} (( segid " " and resid "62 " and name "HG2 ")) (( segid " " and resid "62 " and name "HE2 ")) 6.000 6.000 1.000 peak 2178 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.444 ppm2 2.950 OR { 2178} (( segid " " and resid "62 " and name "HG3 ")) (( segid " " and resid "62 " and name "HE3 ")) OR { 2178} (( segid " " and resid "62 " and name "HG3 ")) (( segid " " and resid "62 " and name "HE2 ")) ASSI { 2180} (( segid " " and resid "62 " and name "HD3 ")) (( segid " " and resid "62 " and name "HA ")) 6.000 6.000 1.000 peak 2180 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.399 ppm2 4.332 OR { 2180} (( segid " " and resid "62 " and name "HD2 ")) (( segid " " and resid "62 " and name "HA ")) ASSI { 2182} (( segid " " and resid "62 " and name "HD2 ")) (( segid " " and resid "62 " and name "HB3 ")) 6.000 6.000 1.000 peak 2182 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.399 ppm2 1.651 OR { 2182} (( segid " " and resid "62 " and name "HD3 ")) (( segid " " and resid "62 " and name "HB3 ")) ASSI { 2185} (( segid " " and resid "62 " and name "HD3 ")) (( segid " " and resid "62 " and name "HE2 ")) 6.000 6.000 1.000 peak 2185 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.399 ppm2 2.950 OR { 2185} (( segid " " and resid "62 " and name "HD3 ")) (( segid " " and resid "62 " and name "HE3 ")) OR { 2185} (( segid " " and resid "62 " and name "HD2 ")) (( segid " " and resid "62 " and name "HE3 ")) OR { 2185} (( segid " " and resid "62 " and name "HD2 ")) (( segid " " and resid "62 " and name "HE2 ")) ASSI { 2212} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "63 " and name "HA ")) 6.000 6.000 1.000 peak 2212 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.233 ppm2 3.964 ASSI { 2213} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "63 " and name "HB2 ")) 6.000 6.000 1.000 peak 2213 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.233 ppm2 2.513 ASSI { 2216} (( segid " " and resid "63 " and name "HB3 ")) (( segid " " and resid "63 " and name "HG3 ")) 6.000 6.000 1.000 peak 2216 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.233 ppm2 2.347 ASSI { 2224} (( segid " " and resid "63 " and name "HG3 ")) (( segid " " and resid "63 " and name "HA ")) 6.000 6.000 1.000 peak 2224 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.347 ppm2 3.964 ASSI { 2225} (( segid " " and resid "63 " and name "HG3 ")) (( segid " " and resid "63 " and name "HB2 ")) 6.000 6.000 1.000 peak 2225 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.347 ppm2 2.513 ASSI { 2242} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "64 " and name "HA ")) 6.000 6.000 1.000 peak 2242 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 4.341 ASSI { 2245} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "64 " and name "HG2 ")) 6.000 6.000 1.000 peak 2245 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 2.162 ASSI { 2246} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "64 " and name "HG3 ")) 6.000 6.000 1.000 peak 2246 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 2.114 ASSI { 2248} (( segid " " and resid "64 " and name "HB3 ")) (( segid " " and resid "64 " and name "HA ")) 6.000 6.000 1.000 peak 2248 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.746 ppm2 4.341 ASSI { 2249} (( segid " " and resid "64 " and name "HB3 ")) (( segid " " and resid "64 " and name "HB2 ")) 6.000 6.000 1.000 peak 2249 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.746 ppm2 1.862 ASSI { 2251} (( segid " " and resid "64 " and name "HB3 ")) (( segid " " and resid "64 " and name "HG2 ")) 6.000 6.000 1.000 peak 2251 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.746 ppm2 2.162 ASSI { 2252} (( segid " " and resid "64 " and name "HB3 ")) (( segid " " and resid "64 " and name "HG3 ")) 6.000 6.000 1.000 peak 2252 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.746 ppm2 2.114 ASSI { 2254} (( segid " " and resid "64 " and name "HG2 ")) (( segid " " and resid "64 " and name "HA ")) 6.000 6.000 1.000 peak 2254 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.162 ppm2 4.341 ASSI { 2260} (( segid " " and resid "64 " and name "HG3 ")) (( segid " " and resid "64 " and name "HA ")) 6.000 6.000 1.000 peak 2260 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.114 ppm2 4.341 ASSI { 2281} (( segid " " and resid "65 " and name "HB2 ")) (( segid " " and resid "65 " and name "HG2 ")) 6.000 6.000 1.000 peak 2281 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.922 ppm2 2.410 ASSI { 2282} (( segid " " and resid "65 " and name "HB2 ")) (( segid " " and resid "65 " and name "HG3 ")) 6.000 6.000 1.000 peak 2282 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.922 ppm2 2.370 ASSI { 2285} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "65 " and name "HB2 ")) 6.000 6.000 1.000 peak 2285 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.590 ppm2 1.922 ASSI { 2323} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "66 " and name "HB ")) 6.000 6.000 1.000 peak 2323 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.466 ppm2 1.828 ASSI { 2324} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) 6.000 6.000 1.000 peak 2324 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.466 ppm2 0.648 ASSI { 2346} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "67 " and name "HB2 ")) 6.000 6.000 1.000 peak 2346 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.622 ppm2 2.687 ASSI { 2391} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "69 " and name "HG ")) 6.000 6.000 1.000 peak 2391 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.554 ppm2 1.683 OR { 2391} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "69 " and name "HG ")) ASSI { 2401} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "69 " and name "HG ")) 6.000 6.000 1.000 peak 2401 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.968 ppm2 1.683 OR { 2401} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "69 " and name "HG ")) ASSI { 2418} (( segid " " and resid "70 " and name "HB3 ")) (( segid " " and resid "70 " and name "HB2 ")) 6.000 6.000 1.000 peak 2418 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.024 ppm2 2.350 ASSI { 2420} (( segid " " and resid "70 " and name "HB3 ")) (( segid " " and resid "70 " and name "HG2 ")) 6.000 6.000 1.000 peak 2420 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.024 ppm2 2.190 ASSI { 2421} (( segid " " and resid "70 " and name "HB3 ")) (( segid " " and resid "70 " and name "HG3 ")) 6.000 6.000 1.000 peak 2421 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.024 ppm2 2.122 ASSI { 2432} (( segid " " and resid "70 " and name "HG3 ")) (( segid " " and resid "70 " and name "HB2 ")) 6.000 6.000 1.000 peak 2432 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.122 ppm2 2.350 ASSI { 2434} (( segid " " and resid "70 " and name "HG3 ")) (( segid " " and resid "70 " and name "HG2 ")) 6.000 6.000 1.000 peak 2434 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.122 ppm2 2.190 ASSI { 2450} (( segid " " and resid "70 " and name "HD3 ")) (( segid " " and resid "70 " and name "HD2 ")) 6.000 6.000 1.000 peak 2450 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.768 ppm2 3.846 ASSI { 2459} (( segid " " and resid "71 " and name "HB2 ") OR ( segid " " and resid "71 " and name "HB3 ") OR ( segid " " and resid "71 " and name "HB1 ")) (( segid " " and resid "71 " and name "HA ")) 6.000 6.000 1.000 peak 2459 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.393 ppm2 4.240 ASSI { 2472} (( segid " " and resid "72 " and name "HB2 ")) (( segid " " and resid "72 " and name "HA ")) 6.000 6.000 1.000 peak 2472 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.058 ppm2 4.320 ASSI { 2475} (( segid " " and resid "72 " and name "HB2 ")) (( segid " " and resid "72 " and name "HG2 ")) 6.000 6.000 1.000 peak 2475 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.058 ppm2 2.293 OR { 2475} (( segid " " and resid "72 " and name "HB2 ")) (( segid " " and resid "72 " and name "HG3 ")) ASSI { 2477} (( segid " " and resid "72 " and name "HB3 ")) (( segid " " and resid "72 " and name "HA ")) 6.000 6.000 1.000 peak 2477 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.942 ppm2 4.320 ASSI { 2478} (( segid " " and resid "72 " and name "HB3 ")) (( segid " " and resid "72 " and name "HB2 ")) 6.000 6.000 1.000 peak 2478 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.942 ppm2 2.058 ASSI { 2480} (( segid " " and resid "72 " and name "HB3 ")) (( segid " " and resid "72 " and name "HG3 ")) 6.000 6.000 1.000 peak 2480 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.942 ppm2 2.293 OR { 2480} (( segid " " and resid "72 " and name "HB3 ")) (( segid " " and resid "72 " and name "HG2 ")) ASSI { 2482} (( segid " " and resid "72 " and name "HG3 ")) (( segid " " and resid "72 " and name "HA ")) 6.000 6.000 1.000 peak 2482 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.293 ppm2 4.320 OR { 2482} (( segid " " and resid "72 " and name "HG2 ")) (( segid " " and resid "72 " and name "HA ")) ASSI { 2508} (( segid " " and resid "73 " and name "HB3 ")) (( segid " " and resid "73 " and name "HA ")) 6.000 6.000 1.000 peak 2508 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.633 ppm2 4.379 ASSI { 2509} (( segid " " and resid "73 " and name "HB3 ")) (( segid " " and resid "73 " and name "HB2 ")) 6.000 6.000 1.000 peak 2509 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.633 ppm2 1.700 ASSI { 2523} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "73 " and name "HB2 ")) 6.000 6.000 1.000 peak 2523 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 1.700 ASSI { 2524} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "73 " and name "HB3 ")) 6.000 6.000 1.000 peak 2524 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 1.633 ASSI { 2525} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "73 " and name "HG ")) 6.000 6.000 1.000 peak 2525 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 1.681 ASSI { 2530} (( segid " " and resid "73 " and name "HD22") OR ( segid " " and resid "73 " and name "HD23") OR ( segid " " and resid "73 " and name "HD21")) (( segid " " and resid "73 " and name "HB2 ")) 6.000 6.000 1.000 peak 2530 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.889 ppm2 1.700 ASSI { 2532} (( segid " " and resid "73 " and name "HD22") OR ( segid " " and resid "73 " and name "HD23") OR ( segid " " and resid "73 " and name "HD21")) (( segid " " and resid "73 " and name "HG ")) 6.000 6.000 1.000 peak 2532 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.889 ppm2 1.681 ASSI { 2533} (( segid " " and resid "73 " and name "HD22") OR ( segid " " and resid "73 " and name "HD23") OR ( segid " " and resid "73 " and name "HD21")) (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) 6.000 6.000 1.000 peak 2533 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.889 ppm2 0.956 ASSI { 2542} (( segid " " and resid "74 " and name "HA2 ")) (( segid " " and resid "74 " and name "HA1 ")) 6.000 6.000 1.000 peak 2542 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.917 ppm2 3.981 ASSI { 2555} (( segid " " and resid "75 " and name "HB ")) (( segid " " and resid "75 " and name "HA ")) 6.000 6.000 1.000 peak 2555 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.091 ppm2 4.456 ASSI { 2558} (( segid " " and resid "75 " and name "HB ")) (( segid " " and resid "75 " and name "HG22") OR ( segid " " and resid "75 " and name "HG23") OR ( segid " " and resid "75 " and name "HG21")) 6.000 6.000 1.000 peak 2558 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.091 ppm2 0.920 ASSI { 2561} (( segid " " and resid "75 " and name "HG12") OR ( segid " " and resid "75 " and name "HG13") OR ( segid " " and resid "75 " and name "HG11")) (( segid " " and resid "75 " and name "HB ")) 6.000 6.000 1.000 peak 2561 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.985 ppm2 2.091 ASSI { 2567} (( segid " " and resid "75 " and name "HG22") OR ( segid " " and resid "75 " and name "HG23") OR ( segid " " and resid "75 " and name "HG21")) (( segid " " and resid "75 " and name "HG12") OR ( segid " " and resid "75 " and name "HG13") OR ( segid " " and resid "75 " and name "HG11")) 6.000 6.000 1.000 peak 2567 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.920 ppm2 0.985 ASSI { 2575} (( segid " " and resid "76 " and name "HB2 ")) (( segid " " and resid "76 " and name "HA ")) 6.000 6.000 1.000 peak 2575 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.327 ppm2 4.534 ASSI { 2581} (( segid " " and resid "76 " and name "HB3 ")) (( segid " " and resid "76 " and name "HA ")) 6.000 6.000 1.000 peak 2581 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.957 ppm2 4.534 ASSI { 2582} (( segid " " and resid "76 " and name "HB3 ")) (( segid " " and resid "76 " and name "HB2 ")) 6.000 6.000 1.000 peak 2582 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.957 ppm2 2.327 ASSI { 2584} (( segid " " and resid "76 " and name "HB3 ")) (( segid " " and resid "76 " and name "HG3 ")) 6.000 6.000 1.000 peak 2584 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.957 ppm2 2.058 OR { 2584} (( segid " " and resid "76 " and name "HB3 ")) (( segid " " and resid "76 " and name "HG2 ")) ASSI { 2585} (( segid " " and resid "76 " and name "HB3 ")) (( segid " " and resid "76 " and name "HD2 ")) 6.000 6.000 1.000 peak 2585 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.957 ppm2 3.915 ASSI { 2587} (( segid " " and resid "76 " and name "HG3 ")) (( segid " " and resid "76 " and name "HA ")) 6.000 6.000 1.000 peak 2587 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.058 ppm2 4.534 OR { 2587} (( segid " " and resid "76 " and name "HG2 ")) (( segid " " and resid "76 " and name "HA ")) ASSI { 2588} (( segid " " and resid "76 " and name "HG2 ")) (( segid " " and resid "76 " and name "HB2 ")) 6.000 6.000 1.000 peak 2588 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.058 ppm2 2.327 OR { 2588} (( segid " " and resid "76 " and name "HG3 ")) (( segid " " and resid "76 " and name "HB2 ")) ASSI { 2591} (( segid " " and resid "76 " and name "HG2 ")) (( segid " " and resid "76 " and name "HD2 ")) 6.000 6.000 1.000 peak 2591 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.058 ppm2 3.915 OR { 2591} (( segid " " and resid "76 " and name "HG3 ")) (( segid " " and resid "76 " and name "HD2 ")) ASSI { 2603} (( segid " " and resid "76 " and name "HD3 ")) (( segid " " and resid "76 " and name "HD2 ")) 6.000 6.000 1.000 peak 2603 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.706 ppm2 3.915 ASSI { 2614} (( segid " " and resid "77 " and name "HB ")) (( segid " " and resid "77 " and name "HA ")) 6.000 6.000 1.000 peak 2614 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.291 ppm2 4.396 ASSI { 2618} (( segid " " and resid "77 " and name "HG21") OR ( segid " " and resid "77 " and name "HG23") OR ( segid " " and resid "77 " and name "HG22")) (( segid " " and resid "77 " and name "HA ")) 6.000 6.000 1.000 peak 2618 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.245 ppm2 4.396 ASSI { 2619} (( segid " " and resid "77 " and name "HG21") OR ( segid " " and resid "77 " and name "HG23") OR ( segid " " and resid "77 " and name "HG22")) (( segid " " and resid "77 " and name "HB ")) 6.000 6.000 1.000 peak 2619 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.245 ppm2 4.291 ASSI { 2626} (( segid " " and resid "78 " and name "HA ")) (( segid " " and resid "78 " and name "HB ")) 6.000 6.000 1.000 peak 2626 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.166 ppm2 4.238 ASSI { 2985} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "14 " and name "HA ")) 6.000 6.000 1.000 peak 2985 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.036 ppm2 3.861 ASSI { 3003} (( segid " " and resid "31 " and name "HB2 ") OR ( segid " " and resid "31 " and name "HB3 ") OR ( segid " " and resid "31 " and name "HB1 ")) (( segid " " and resid "28 " and name "HA ")) 6.000 6.000 1.000 peak 3003 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.497 ppm2 4.187 ASSI { 3010} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "31 " and name "HA ")) 6.000 6.000 1.000 peak 3010 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.614 ppm2 4.161 ASSI { 3012} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "31 " and name "HA ")) 6.000 6.000 1.000 peak 3012 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.491 ppm2 4.161 ASSI { 3013} (( segid " " and resid "35 " and name "HB3 ")) (( segid " " and resid "32 " and name "HA ")) 6.000 6.000 1.000 peak 3013 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.242 ppm2 4.234 ASSI { 3015} (( segid " " and resid "35 " and name "HG2 ")) (( segid " " and resid "32 " and name "HA ")) 6.000 6.000 1.000 peak 3015 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.493 ppm2 4.235 ASSI { 3017} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "33 " and name "HA ")) 6.000 6.000 1.000 peak 3017 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.236 ppm2 4.223 ASSI { 3018} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "33 " and name "HA ")) 6.000 6.000 1.000 peak 3018 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 4.223 ASSI { 3022} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 6.000 6.000 1.000 peak 3022 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.082 ppm2 4.172 OR { 3022} (( segid " " and resid "47 " and name "HB3 ")) (( segid " " and resid "44 " and name "HA ")) ASSI { 3110} (( segid " " and resid "70 " and name "HB3 ")) (( segid " " and resid "70 " and name "HD2 ")) 6.000 6.000 1.000 peak 3110 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.019 ppm2 3.847 ASSI { 3369} (( segid " " and resid "19 " and name "HE3 ")) (( segid " " and resid "68 " and name "HA ")) 6.100 4.700 0.900 peak 3369 weight 0.10000E+01 volume 0.10690E+03 ppm1 2.964 ppm2 5.191 OR { 3369} (( segid " " and resid "19 " and name "HE2 ")) (( segid " " and resid "68 " and name "HA ")) ASSI { 3370} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "66 " and name "HA ")) 2.700 0.900 0.900 peak 3370 weight 0.10000E+01 volume 0.14200E+05 ppm1 4.780 ppm2 4.587 ASSI { 3373} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) 5.000 3.100 2.000 peak 3373 weight 0.10000E+01 volume 0.35410E+03 ppm1 4.717 ppm2 1.849 ASSI { 3378} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "23 " and name "HZ ")) 5.300 3.500 1.700 peak 3378 weight 0.10000E+01 volume 0.26160E+03 ppm1 4.281 ppm2 7.361 ASSI { 3380} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 5.100 3.300 1.900 peak 3380 weight 0.10000E+01 volume 0.32440E+03 ppm1 1.955 ppm2 7.281 ASSI { 3381} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 6.200 4.800 0.800 peak 3381 weight 0.10000E+01 volume 0.98300E+02 ppm1 0.706 ppm2 7.281 OR { 3381} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) ASSI { 3382} (( segid " " and resid "22 " and name "HG3 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 5.100 3.300 1.900 peak 3382 weight 0.10000E+01 volume 0.31750E+03 ppm1 0.574 ppm2 7.281 ASSI { 3385} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 4.500 2.500 2.500 peak 3385 weight 0.10000E+01 volume 0.72700E+03 ppm1 2.991 ppm2 7.262 ASSI { 3387} (( segid " " and resid "10 " and name "HB2 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 5.300 3.500 1.700 peak 3387 weight 0.10000E+01 volume 0.25880E+03 ppm1 1.840 ppm2 7.258 ASSI { 3389} (( segid " " and resid "9 " and name "HB3 ")) (( segid " " and resid "38 " and name "HZ ")) 4.600 2.600 2.400 peak 3389 weight 0.10000E+01 volume 0.59240E+03 ppm1 2.354 ppm2 7.071 ASSI { 3393} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 5.700 4.100 1.300 peak 3393 weight 0.10000E+01 volume 0.16100E+03 ppm1 0.710 ppm2 7.227 ASSI { 3394} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 6.700 5.600 0.300 peak 3394 weight 0.10000E+01 volume 0.64200E+02 ppm1 1.937 ppm2 6.590 ASSI { 11} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "3 " and name "HB2 ")) 3.000 1.100 1.100 peak 11 weight 0.10000E+01 volume 0.18190E+05 ppm1 8.657 ppm2 3.909 OR { 11} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "3 " and name "HB3 ")) ASSI { 12} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "3 " and name "HB3 ")) 3.200 1.300 1.300 peak 12 weight 0.10000E+01 volume 0.12030E+05 ppm1 8.656 ppm2 3.874 ASSI { 14} (( segid " " and resid "4 " and name "HN ")) (( segid " " and resid "4 " and name "HA ")) 2.500 0.800 0.800 peak 14 weight 0.10000E+01 volume 0.60410E+05 ppm1 8.513 ppm2 4.466 ASSI { 15} (( segid " " and resid "4 " and name "HN ")) (( segid " " and resid "4 " and name "HB2 ")) 3.000 1.100 1.100 peak 15 weight 0.10000E+01 volume 0.19200E+05 ppm1 8.514 ppm2 3.960 ASSI { 18} (( segid " " and resid "5 " and name "HN ")) (( segid " " and resid "5 " and name "HA ")) 2.800 1.000 1.000 peak 18 weight 0.10000E+01 volume 0.30170E+05 ppm1 8.328 ppm2 4.318 ASSI { 25} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "6 " and name "HG3 ")) 3.500 1.500 1.500 peak 25 weight 0.10000E+01 volume 0.71490E+04 ppm1 8.357 ppm2 1.502 ASSI { 26} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "6 " and name "HD3 ")) 5.000 3.100 2.000 peak 26 weight 0.10000E+01 volume 0.83950E+03 ppm1 8.356 ppm2 1.733 OR { 26} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "6 " and name "HD2 ")) ASSI { 30} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "7 " and name "HB2 ")) 2.300 0.700 0.700 peak 30 weight 0.10000E+01 volume 0.87990E+05 ppm1 8.596 ppm2 2.154 ASSI { 31} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "7 " and name "HG2 ")) 2.800 2.800 4.200 peak 31 weight 0.10000E+01 volume 0.28140E+05 ppm1 8.596 ppm2 2.474 OR { 31} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "7 " and name "HG3 ")) ASSI { 35} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HB3 ")) 2.400 0.700 0.700 peak 35 weight 0.10000E+01 volume 0.71200E+05 ppm1 8.832 ppm2 2.121 OR { 35} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HB2 ")) ASSI { 38} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "9 " and name "HB3 ")) 2.300 0.700 0.700 peak 38 weight 0.10000E+01 volume 0.86440E+05 ppm1 8.231 ppm2 2.397 ASSI { 43} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "10 " and name "HB2 ")) 2.400 0.700 0.700 peak 43 weight 0.10000E+01 volume 0.77280E+05 ppm1 7.873 ppm2 1.825 ASSI { 44} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "10 " and name "HB3 ")) 2.400 0.700 0.700 peak 44 weight 0.10000E+01 volume 0.68140E+05 ppm1 7.873 ppm2 1.340 ASSI { 46} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) 3.600 1.600 1.600 peak 46 weight 0.10000E+01 volume 0.63060E+04 ppm1 7.873 ppm2 0.737 ASSI { 50} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "11 " and name "HB ")) 2.200 0.600 0.600 peak 50 weight 0.10000E+01 volume 0.11260E+06 ppm1 8.004 ppm2 2.115 ASSI { 54} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HA ")) 2.600 0.800 0.800 peak 54 weight 0.10000E+01 volume 0.48020E+05 ppm1 7.723 ppm2 3.899 ASSI { 55} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HB3 ")) 2.200 0.600 0.600 peak 55 weight 0.10000E+01 volume 0.13150E+06 ppm1 7.723 ppm2 1.921 OR { 55} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HB2 ")) ASSI { 57} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HG3 ")) 4.400 2.400 2.400 peak 57 weight 0.10000E+01 volume 0.17840E+04 ppm1 7.723 ppm2 1.423 ASSI { 66} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "14 " and name "HB2 ")) 2.300 0.700 0.700 peak 66 weight 0.10000E+01 volume 0.95950E+05 ppm1 8.834 ppm2 3.150 ASSI { 70} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "15 " and name "HB2 ")) 2.400 0.700 0.700 peak 70 weight 0.10000E+01 volume 0.73610E+05 ppm1 8.540 ppm2 1.823 ASSI { 71} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "15 " and name "HB3 ")) 2.900 1.100 1.100 peak 71 weight 0.10000E+01 volume 0.23140E+05 ppm1 8.540 ppm2 1.733 ASSI { 77} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "16 " and name "HA ")) 2.600 0.800 0.800 peak 77 weight 0.10000E+01 volume 0.48080E+05 ppm1 7.770 ppm2 4.063 ASSI { 81} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "17 " and name "HB2 ")) 2.600 0.800 0.800 peak 81 weight 0.10000E+01 volume 0.48320E+05 ppm1 7.664 ppm2 1.821 ASSI { 92} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) 3.000 1.100 1.100 peak 92 weight 0.10000E+01 volume 0.20260E+05 ppm1 7.515 ppm2 0.484 ASSI { 95} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "19 " and name "HB2 ")) 2.700 0.900 0.900 peak 95 weight 0.10000E+01 volume 0.31600E+05 ppm1 8.207 ppm2 2.022 ASSI { 97} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "19 " and name "HG2 ")) 3.100 1.200 1.200 peak 97 weight 0.10000E+01 volume 0.15340E+05 ppm1 8.207 ppm2 1.627 ASSI { 98} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "19 " and name "HG3 ")) 3.900 1.900 1.900 peak 98 weight 0.10000E+01 volume 0.37690E+04 ppm1 8.207 ppm2 1.554 ASSI { 102} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "20 " and name "HB3 ")) 3.100 1.200 1.200 peak 102 weight 0.10000E+01 volume 0.14310E+05 ppm1 7.412 ppm2 2.091 ASSI { 108} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "21 " and name "HG2 ")) 2.900 1.100 1.100 peak 108 weight 0.10000E+01 volume 0.24190E+05 ppm1 7.906 ppm2 2.424 ASSI { 113} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "22 " and name "HB2 ")) 3.600 1.600 1.600 peak 113 weight 0.10000E+01 volume 0.66120E+04 ppm1 7.923 ppm2 1.312 ASSI { 116} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "22 " and name "HB3 ")) 3.400 1.400 1.400 peak 116 weight 0.10000E+01 volume 0.83340E+04 ppm1 7.923 ppm2 1.100 ASSI { 119} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "23 " and name "HA ")) 3.300 1.400 1.400 peak 119 weight 0.10000E+01 volume 0.10650E+05 ppm1 8.318 ppm2 4.755 ASSI { 128} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "25 " and name "HB2 ")) 3.700 1.700 1.700 peak 128 weight 0.10000E+01 volume 0.51650E+04 ppm1 8.009 ppm2 4.325 ASSI { 132} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "26 " and name "HB2 ")) 2.700 0.900 0.900 peak 132 weight 0.10000E+01 volume 0.33760E+05 ppm1 9.614 ppm2 2.080 ASSI { 138} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "28 " and name "HA ")) 2.500 0.800 0.800 peak 138 weight 0.10000E+01 volume 0.52540E+05 ppm1 7.771 ppm2 4.190 ASSI { 139} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "28 " and name "HB2 ")) 2.200 0.600 0.600 peak 139 weight 0.10000E+01 volume 0.12890E+06 ppm1 7.771 ppm2 2.490 ASSI { 144} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HG12")) 3.300 1.400 1.400 peak 144 weight 0.10000E+01 volume 0.96990E+04 ppm1 7.245 ppm2 0.703 OR { 144} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HG13")) ASSI { 145} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HA ")) 2.900 1.100 1.100 peak 145 weight 0.10000E+01 volume 0.23360E+05 ppm1 7.245 ppm2 3.154 ASSI { 147} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "30 " and name "HA ")) 2.500 0.800 0.800 peak 147 weight 0.10000E+01 volume 0.51790E+05 ppm1 8.120 ppm2 3.198 ASSI { 152} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "31 " and name "HA ")) 2.300 0.700 0.700 peak 152 weight 0.10000E+01 volume 0.81330E+05 ppm1 7.675 ppm2 4.162 ASSI { 155} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "32 " and name "HA ")) 2.500 0.800 0.800 peak 155 weight 0.10000E+01 volume 0.62020E+05 ppm1 7.756 ppm2 4.232 ASSI { 156} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) 2.200 0.600 0.600 peak 156 weight 0.10000E+01 volume 0.10980E+06 ppm1 7.755 ppm2 1.392 ASSI { 169} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "33 " and name "HB2 ")) 2.600 0.800 0.800 peak 169 weight 0.10000E+01 volume 0.46640E+05 ppm1 8.695 ppm2 2.040 ASSI { 171} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "35 " and name "HA ")) 2.600 0.800 0.800 peak 171 weight 0.10000E+01 volume 0.48070E+05 ppm1 8.346 ppm2 4.109 ASSI { 172} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "35 " and name "HB2 ")) 2.300 0.700 0.700 peak 172 weight 0.10000E+01 volume 0.83530E+05 ppm1 8.346 ppm2 2.251 ASSI { 178} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "36 " and name "HB3 ")) 2.300 0.700 0.700 peak 178 weight 0.10000E+01 volume 0.85390E+05 ppm1 7.386 ppm2 2.225 ASSI { 181} (( segid " " and resid "37 " and name "HN ")) (( segid " " and resid "37 " and name "HA1 ")) 2.400 0.700 0.700 peak 181 weight 0.10000E+01 volume 0.68290E+05 ppm1 7.739 ppm2 4.103 ASSI { 189} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "39 " and name "HB2 ")) 2.500 0.800 0.800 peak 189 weight 0.10000E+01 volume 0.54720E+05 ppm1 8.343 ppm2 2.670 OR { 189} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "39 " and name "HB3 ")) ASSI { 197} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "41 " and name "HB ")) 2.300 0.700 0.700 peak 197 weight 0.10000E+01 volume 0.80350E+05 ppm1 8.178 ppm2 1.964 ASSI { 202} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HA ")) 2.800 1.000 1.000 peak 202 weight 0.10000E+01 volume 0.29550E+05 ppm1 6.753 ppm2 4.720 ASSI { 209} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 2.600 0.800 0.800 peak 209 weight 0.10000E+01 volume 0.44460E+05 ppm1 8.386 ppm2 4.168 ASSI { 213} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 2.600 0.800 0.800 peak 213 weight 0.10000E+01 volume 0.48930E+05 ppm1 8.206 ppm2 3.996 ASSI { 214} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "45 " and name "HB3 ")) 2.200 0.600 0.600 peak 214 weight 0.10000E+01 volume 0.11710E+06 ppm1 8.206 ppm2 1.832 OR { 214} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "45 " and name "HB2 ")) ASSI { 217} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "45 " and name "HD2 ")) 3.700 1.700 1.700 peak 217 weight 0.10000E+01 volume 0.49800E+04 ppm1 8.206 ppm2 1.669 OR { 217} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "45 " and name "HD3 ")) ASSI { 225} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "47 " and name "HB2 ")) 2.100 0.600 0.600 peak 225 weight 0.10000E+01 volume 0.13850E+06 ppm1 8.870 ppm2 4.078 OR { 225} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "47 " and name "HB3 ")) ASSI { 228} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HB3 ")) 2.700 0.900 0.900 peak 228 weight 0.10000E+01 volume 0.32120E+05 ppm1 7.643 ppm2 1.842 ASSI { 229} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HG2 ")) 2.900 1.100 1.100 peak 229 weight 0.10000E+01 volume 0.25010E+05 ppm1 7.643 ppm2 1.794 ASSI { 230} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HB2 ")) 2.300 0.700 0.700 peak 230 weight 0.10000E+01 volume 0.84680E+05 ppm1 7.643 ppm2 1.921 ASSI { 231} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HD3 ")) 3.900 1.900 1.900 peak 231 weight 0.10000E+01 volume 0.37070E+04 ppm1 7.643 ppm2 3.184 OR { 231} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HD2 ")) ASSI { 240} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "50 " and name "HB2 ")) 2.500 2.500 4.500 peak 240 weight 0.10000E+01 volume 0.57210E+05 ppm1 8.693 ppm2 2.162 ASSI { 241} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "50 " and name "HG ")) 2.500 0.800 0.800 peak 241 weight 0.10000E+01 volume 0.54160E+05 ppm1 8.692 ppm2 1.876 ASSI { 243} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) 2.900 1.100 1.100 peak 243 weight 0.10000E+01 volume 0.22650E+05 ppm1 8.692 ppm2 0.450 OR { 243} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) ASSI { 245} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "51 " and name "HB ")) 2.300 0.700 0.700 peak 245 weight 0.10000E+01 volume 0.10150E+06 ppm1 7.649 ppm2 4.157 ASSI { 249} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "52 " and name "HA ")) 2.900 1.100 1.100 peak 249 weight 0.10000E+01 volume 0.23350E+05 ppm1 8.327 ppm2 3.882 ASSI { 250} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "52 " and name "HB2 ")) 2.400 0.700 0.700 peak 250 weight 0.10000E+01 volume 0.70920E+05 ppm1 8.327 ppm2 1.724 ASSI { 251} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "52 " and name "HB3 ")) 2.800 1.000 1.000 peak 251 weight 0.10000E+01 volume 0.30890E+05 ppm1 8.327 ppm2 1.517 ASSI { 263} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "54 " and name "HA1 ")) 3.100 1.200 1.200 peak 263 weight 0.10000E+01 volume 0.13960E+05 ppm1 7.714 ppm2 4.094 ASSI { 264} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "54 " and name "HA2 ")) 2.200 0.600 0.600 peak 264 weight 0.10000E+01 volume 0.12900E+06 ppm1 7.714 ppm2 3.918 ASSI { 266} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "55 " and name "HA ")) 2.700 0.900 0.900 peak 266 weight 0.10000E+01 volume 0.37930E+05 ppm1 8.100 ppm2 4.574 ASSI { 267} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) 2.100 0.600 0.600 peak 267 weight 0.10000E+01 volume 0.13990E+06 ppm1 8.100 ppm2 1.454 ASSI { 269} (( segid " " and resid "56 " and name "HN ")) (( segid " " and resid "56 " and name "HA ")) 2.800 1.000 1.000 peak 269 weight 0.10000E+01 volume 0.25580E+05 ppm1 8.548 ppm2 4.673 ASSI { 270} (( segid " " and resid "56 " and name "HN ")) (( segid " " and resid "56 " and name "HB ")) 3.600 1.600 1.600 peak 270 weight 0.10000E+01 volume 0.64740E+04 ppm1 8.548 ppm2 2.132 ASSI { 275} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HB3 ")) 2.700 0.900 0.900 peak 275 weight 0.10000E+01 volume 0.38780E+05 ppm1 8.318 ppm2 1.350 OR { 275} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HB2 ")) ASSI { 277} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HG2 ")) 3.300 1.400 1.400 peak 277 weight 0.10000E+01 volume 0.10560E+05 ppm1 8.318 ppm2 1.066 ASSI { 283} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "59 " and name "HA ")) 2.900 1.100 1.100 peak 283 weight 0.10000E+01 volume 0.20990E+05 ppm1 7.978 ppm2 4.879 ASSI { 285} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "59 " and name "HB2 ")) 2.500 0.800 0.800 peak 285 weight 0.10000E+01 volume 0.53770E+05 ppm1 7.978 ppm2 1.719 ASSI { 296} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "62 " and name "HG2 ")) 2.700 0.900 0.900 peak 296 weight 0.10000E+01 volume 0.33470E+05 ppm1 7.412 ppm2 1.438 OR { 296} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "62 " and name "HG3 ")) ASSI { 299} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "62 " and name "HB2 ")) 3.300 1.400 1.400 peak 299 weight 0.10000E+01 volume 0.10780E+05 ppm1 7.412 ppm2 2.061 ASSI { 303} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "63 " and name "HB2 ")) 3.800 1.800 1.800 peak 303 weight 0.10000E+01 volume 0.47980E+04 ppm1 8.242 ppm2 2.500 ASSI { 306} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "63 " and name "HG3 ")) 3.200 1.300 1.300 peak 306 weight 0.10000E+01 volume 0.12050E+05 ppm1 8.242 ppm2 2.334 ASSI { 308} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HA ")) 2.800 1.000 1.000 peak 308 weight 0.10000E+01 volume 0.27940E+05 ppm1 8.006 ppm2 4.324 ASSI { 309} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HB2 ")) 2.500 0.800 0.800 peak 309 weight 0.10000E+01 volume 0.55590E+05 ppm1 8.006 ppm2 1.858 ASSI { 311} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HG3 ")) 2.600 0.800 0.800 peak 311 weight 0.10000E+01 volume 0.41730E+05 ppm1 8.006 ppm2 2.129 ASSI { 314} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "65 " and name "HA ")) 2.900 1.100 1.100 peak 314 weight 0.10000E+01 volume 0.23820E+05 ppm1 8.516 ppm2 4.709 ASSI { 315} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "65 " and name "HB2 ")) 2.500 0.800 0.800 peak 315 weight 0.10000E+01 volume 0.59670E+05 ppm1 8.516 ppm2 1.917 ASSI { 316} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "65 " and name "HB3 ")) 3.000 1.100 1.100 peak 316 weight 0.10000E+01 volume 0.17450E+05 ppm1 8.516 ppm2 1.581 ASSI { 317} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "65 " and name "HG3 ")) 2.800 1.000 1.000 peak 317 weight 0.10000E+01 volume 0.27270E+05 ppm1 8.516 ppm2 2.368 ASSI { 319} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "66 " and name "HA ")) 3.300 1.400 1.400 peak 319 weight 0.10000E+01 volume 0.99770E+04 ppm1 8.767 ppm2 4.577 ASSI { 331} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "69 " and name "HA ")) 3.100 1.200 1.200 peak 331 weight 0.10000E+01 volume 0.15800E+05 ppm1 8.671 ppm2 4.772 ASSI { 339} (( segid " " and resid "72 " and name "HN ")) (( segid " " and resid "72 " and name "HA ")) 2.700 0.900 0.900 peak 339 weight 0.10000E+01 volume 0.35070E+05 ppm1 8.478 ppm2 4.305 ASSI { 344} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "73 " and name "HA ")) 2.600 0.800 0.800 peak 344 weight 0.10000E+01 volume 0.40160E+05 ppm1 8.338 ppm2 4.376 ASSI { 347} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "73 " and name "HD22") OR ( segid " " and resid "73 " and name "HD23") OR ( segid " " and resid "73 " and name "HD21")) 4.100 2.100 2.100 peak 347 weight 0.10000E+01 volume 0.27870E+04 ppm1 8.338 ppm2 0.880 ASSI { 349} (( segid " " and resid "74 " and name "HN ")) (( segid " " and resid "74 " and name "HA1 ")) 2.600 0.800 0.800 peak 349 weight 0.10000E+01 volume 0.41850E+05 ppm1 8.467 ppm2 3.969 ASSI { 353} (( segid " " and resid "75 " and name "HN ")) (( segid " " and resid "75 " and name "HB ")) 3.100 1.200 1.200 peak 353 weight 0.10000E+01 volume 0.15850E+05 ppm1 7.933 ppm2 2.077 ASSI { 354} (( segid " " and resid "75 " and name "HN ")) (( segid " " and resid "75 " and name "HG12") OR ( segid " " and resid "75 " and name "HG13") OR ( segid " " and resid "75 " and name "HG11")) 3.700 1.700 1.700 peak 354 weight 0.10000E+01 volume 0.51760E+04 ppm1 7.933 ppm2 0.974 ASSI { 408} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "2 " and name "HB3 ")) 3.800 1.800 1.800 peak 408 weight 0.10000E+01 volume 0.45220E+04 ppm1 8.656 ppm2 1.758 ASSI { 409} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "2 " and name "HG3 ")) 3.900 1.900 1.900 peak 409 weight 0.10000E+01 volume 0.39210E+04 ppm1 8.656 ppm2 1.642 OR { 409} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "2 " and name "HG2 ")) ASSI { 410} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "4 " and name "HN ")) 3.500 1.500 1.500 peak 410 weight 0.10000E+01 volume 0.67340E+04 ppm1 8.655 ppm2 8.513 ASSI { 417} (( segid " " and resid "5 " and name "HN ")) (( segid " " and resid "4 " and name "HB3 ")) 3.800 1.800 1.800 peak 417 weight 0.10000E+01 volume 0.45140E+04 ppm1 8.328 ppm2 3.874 ASSI { 418} (( segid " " and resid "4 " and name "HN ")) (( segid " " and resid "5 " and name "HN ")) 3.100 1.200 1.200 peak 418 weight 0.10000E+01 volume 0.14020E+05 ppm1 8.513 ppm2 8.323 ASSI { 422} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "8 " and name "HG2 ")) 3.600 1.600 1.600 peak 422 weight 0.10000E+01 volume 0.65050E+04 ppm1 8.356 ppm2 2.398 OR { 422} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "8 " and name "HG3 ")) ASSI { 425} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "4 " and name "HA ")) 3.800 1.800 1.800 peak 425 weight 0.10000E+01 volume 0.44910E+04 ppm1 8.357 ppm2 4.477 ASSI { 433} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "7 " and name "HN ")) 3.500 1.500 1.500 peak 433 weight 0.10000E+01 volume 0.73850E+04 ppm1 8.358 ppm2 8.595 ASSI { 437} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "7 " and name "HN ")) 2.600 0.800 0.800 peak 437 weight 0.10000E+01 volume 0.41530E+05 ppm1 8.831 ppm2 8.595 ASSI { 439} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 2.700 0.900 0.900 peak 439 weight 0.10000E+01 volume 0.37460E+05 ppm1 8.833 ppm2 8.535 ASSI { 444} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "6 " and name "HA ")) 2.400 0.700 0.700 peak 444 weight 0.10000E+01 volume 0.77940E+05 ppm1 8.596 ppm2 4.348 ASSI { 452} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "10 " and name "HB2 ")) 3.500 1.500 1.500 peak 452 weight 0.10000E+01 volume 0.70930E+04 ppm1 8.231 ppm2 1.837 ASSI { 454} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "9 " and name "HB3 ")) 2.800 1.000 1.000 peak 454 weight 0.10000E+01 volume 0.29750E+05 ppm1 7.873 ppm2 2.396 ASSI { 459} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "9 " and name "HA ")) 4.000 2.000 2.000 peak 459 weight 0.10000E+01 volume 0.31600E+04 ppm1 8.005 ppm2 4.234 ASSI { 461} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "10 " and name "HB2 ")) 2.700 0.900 0.900 peak 461 weight 0.10000E+01 volume 0.37940E+05 ppm1 8.004 ppm2 1.830 ASSI { 463} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "11 " and name "HN ")) 2.500 0.800 0.800 peak 463 weight 0.10000E+01 volume 0.57740E+05 ppm1 7.871 ppm2 7.981 ASSI { 464} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 3.200 1.300 1.300 peak 464 weight 0.10000E+01 volume 0.12310E+05 ppm1 7.872 ppm2 7.253 ASSI { 473} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "10 " and name "HD22") OR ( segid " " and resid "10 " and name "HD23") OR ( segid " " and resid "10 " and name "HD21")) 3.700 1.700 1.700 peak 473 weight 0.10000E+01 volume 0.49170E+04 ppm1 8.002 ppm2 0.252 ASSI { 482} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 5.000 3.100 2.000 peak 482 weight 0.10000E+01 volume 0.86900E+03 ppm1 8.170 ppm2 7.251 ASSI { 485} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "13 " and name "HA ")) 3.200 1.300 1.300 peak 485 weight 0.10000E+01 volume 0.12820E+05 ppm1 8.834 ppm2 4.189 ASSI { 486} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "9 " and name "HA ")) 3.100 1.200 1.200 peak 486 weight 0.10000E+01 volume 0.16670E+05 ppm1 7.722 ppm2 4.227 ASSI { 493} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "12 " and name "HB3 ")) 2.400 0.700 0.700 peak 493 weight 0.10000E+01 volume 0.67710E+05 ppm1 8.170 ppm2 1.925 OR { 493} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "12 " and name "HB2 ")) ASSI { 496} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "9 " and name "HB2 ")) 4.700 2.800 2.300 peak 496 weight 0.10000E+01 volume 0.11960E+04 ppm1 8.170 ppm2 2.399 ASSI { 498} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) 4.000 2.000 2.000 peak 498 weight 0.10000E+01 volume 0.34580E+04 ppm1 8.171 ppm2 0.569 ASSI { 499} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "12 " and name "HD3 ")) 3.000 1.100 1.100 peak 499 weight 0.10000E+01 volume 0.19090E+05 ppm1 8.171 ppm2 1.601 ASSI { 513} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "13 " and name "HA ")) 4.300 2.300 2.300 peak 513 weight 0.10000E+01 volume 0.21010E+04 ppm1 8.540 ppm2 4.186 ASSI { 515} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "12 " and name "HA ")) 3.400 1.400 1.400 peak 515 weight 0.10000E+01 volume 0.82900E+04 ppm1 7.770 ppm2 3.899 ASSI { 516} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "17 " and name "HG ")) 3.900 1.900 1.900 peak 516 weight 0.10000E+01 volume 0.39840E+04 ppm1 7.770 ppm2 2.029 ASSI { 517} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "15 " and name "HB2 ")) 2.700 0.900 0.900 peak 517 weight 0.10000E+01 volume 0.37450E+05 ppm1 7.770 ppm2 1.837 ASSI { 519} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "13 " and name "HA ")) 2.800 1.000 1.000 peak 519 weight 0.10000E+01 volume 0.29060E+05 ppm1 7.770 ppm2 4.196 ASSI { 520} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "16 " and name "HB2 ") OR ( segid " " and resid "16 " and name "HB3 ") OR ( segid " " and resid "16 " and name "HB1 ")) 2.600 0.800 0.800 peak 520 weight 0.10000E+01 volume 0.39020E+05 ppm1 7.664 ppm2 1.534 ASSI { 521} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "17 " and name "HG ")) 3.100 1.200 1.200 peak 521 weight 0.10000E+01 volume 0.14870E+05 ppm1 7.515 ppm2 2.029 ASSI { 523} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) 4.300 2.300 2.300 peak 523 weight 0.10000E+01 volume 0.20340E+04 ppm1 8.208 ppm2 0.490 ASSI { 524} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) 4.800 2.900 2.200 peak 524 weight 0.10000E+01 volume 0.11430E+04 ppm1 8.208 ppm2 0.413 ASSI { 525} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) 4.000 2.000 2.000 peak 525 weight 0.10000E+01 volume 0.30760E+04 ppm1 8.209 ppm2 0.967 OR { 525} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) ASSI { 526} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "18 " and name "HG ")) 4.300 2.300 2.300 peak 526 weight 0.10000E+01 volume 0.20790E+04 ppm1 7.664 ppm2 1.284 ASSI { 529} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HB2 ")) 3.300 1.400 1.400 peak 529 weight 0.10000E+01 volume 0.10050E+05 ppm1 7.412 ppm2 2.023 ASSI { 532} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) 3.900 1.900 1.900 peak 532 weight 0.10000E+01 volume 0.36060E+04 ppm1 8.313 ppm2 0.484 ASSI { 533} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "20 " and name "HA ")) 3.000 1.100 1.100 peak 533 weight 0.10000E+01 volume 0.16800E+05 ppm1 7.906 ppm2 4.089 ASSI { 535} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "16 " and name "HA ")) 3.400 1.400 1.400 peak 535 weight 0.10000E+01 volume 0.80930E+04 ppm1 7.664 ppm2 4.073 ASSI { 544} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "17 " and name "HN ")) 2.400 0.700 0.700 peak 544 weight 0.10000E+01 volume 0.71660E+05 ppm1 7.515 ppm2 7.661 ASSI { 554} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HN ")) 2.500 0.800 0.800 peak 554 weight 0.10000E+01 volume 0.53230E+05 ppm1 7.412 ppm2 8.214 ASSI { 566} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "28 " and name "HN ")) 3.900 1.900 1.900 peak 566 weight 0.10000E+01 volume 0.40650E+04 ppm1 9.614 ppm2 7.757 ASSI { 568} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "28 " and name "HN ")) 3.800 1.800 1.800 peak 568 weight 0.10000E+01 volume 0.45930E+04 ppm1 8.008 ppm2 7.757 ASSI { 572} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "23 " and name "HB2 ")) 3.200 1.300 1.300 peak 572 weight 0.10000E+01 volume 0.12710E+05 ppm1 8.007 ppm2 3.055 ASSI { 573} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "28 " and name "HB2 ")) 2.700 0.900 0.900 peak 573 weight 0.10000E+01 volume 0.33170E+05 ppm1 8.008 ppm2 2.479 ASSI { 574} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "24 " and name "HA ")) 2.700 0.900 0.900 peak 574 weight 0.10000E+01 volume 0.36620E+05 ppm1 8.008 ppm2 4.795 ASSI { 575} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "24 " and name "HB2 ")) 3.500 1.500 1.500 peak 575 weight 0.10000E+01 volume 0.70240E+04 ppm1 8.008 ppm2 4.074 ASSI { 576} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "26 " and name "HG2 ")) 2.800 1.000 1.000 peak 576 weight 0.10000E+01 volume 0.28070E+05 ppm1 9.611 ppm2 2.587 OR { 576} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "26 " and name "HG3 ")) ASSI { 580} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "66 " and name "HB ")) 3.300 1.400 1.400 peak 580 weight 0.10000E+01 volume 0.97860E+04 ppm1 8.316 ppm2 1.846 ASSI { 588} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "31 " and name "HN ")) 2.600 0.800 0.800 peak 588 weight 0.10000E+01 volume 0.42890E+05 ppm1 8.121 ppm2 7.669 ASSI { 590} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "29 " and name "HN ")) 3.900 1.900 1.900 peak 590 weight 0.10000E+01 volume 0.36790E+04 ppm1 7.672 ppm2 7.243 ASSI { 592} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HA1 ")) 2.900 1.100 1.100 peak 592 weight 0.10000E+01 volume 0.21550E+05 ppm1 7.771 ppm2 4.051 ASSI { 593} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "25 " and name "HB2 ")) 3.800 1.800 1.800 peak 593 weight 0.10000E+01 volume 0.43660E+04 ppm1 7.771 ppm2 4.323 ASSI { 595} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HA ")) 3.700 1.700 1.700 peak 595 weight 0.10000E+01 volume 0.54990E+04 ppm1 7.244 ppm2 4.186 ASSI { 596} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "27 " and name "HA1 ")) 4.600 2.600 2.400 peak 596 weight 0.10000E+01 volume 0.14390E+04 ppm1 7.244 ppm2 4.059 ASSI { 601} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HB2 ")) 2.800 1.000 1.000 peak 601 weight 0.10000E+01 volume 0.25610E+05 ppm1 7.244 ppm2 2.471 ASSI { 603} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) 3.500 1.500 1.500 peak 603 weight 0.10000E+01 volume 0.69290E+04 ppm1 7.243 ppm2 0.936 OR { 603} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) ASSI { 605} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "30 " and name "HA ")) 3.100 1.200 1.200 peak 605 weight 0.10000E+01 volume 0.14920E+05 ppm1 7.671 ppm2 3.200 ASSI { 609} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "26 " and name "HA ")) 3.700 1.700 1.700 peak 609 weight 0.10000E+01 volume 0.51530E+04 ppm1 8.121 ppm2 3.798 ASSI { 611} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) 2.700 0.900 0.900 peak 611 weight 0.10000E+01 volume 0.32910E+05 ppm1 7.672 ppm2 0.811 OR { 611} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) ASSI { 612} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "29 " and name "HG12")) 3.400 1.400 1.400 peak 612 weight 0.10000E+01 volume 0.92460E+04 ppm1 8.120 ppm2 0.701 OR { 612} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "29 " and name "HG13")) ASSI { 614} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "33 " and name "HN ")) 2.600 0.800 0.800 peak 614 weight 0.10000E+01 volume 0.47300E+05 ppm1 7.757 ppm2 8.122 ASSI { 635} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "34 " and name "HN ")) 2.500 0.800 0.800 peak 635 weight 0.10000E+01 volume 0.52670E+05 ppm1 8.345 ppm2 8.693 ASSI { 654} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "39 " and name "HB3 ")) 2.700 0.900 0.900 peak 654 weight 0.10000E+01 volume 0.36940E+05 ppm1 8.771 ppm2 2.667 OR { 654} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "39 " and name "HB2 ")) ASSI { 655} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "39 " and name "HA ")) 2.300 0.700 0.700 peak 655 weight 0.10000E+01 volume 0.82550E+05 ppm1 8.771 ppm2 4.612 ASSI { 659} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "39 " and name "HA ")) 3.300 1.400 1.400 peak 659 weight 0.10000E+01 volume 0.99080E+04 ppm1 8.179 ppm2 4.612 ASSI { 660} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "41 " and name "HG12")) 2.600 2.600 4.400 peak 660 weight 0.10000E+01 volume 0.45590E+05 ppm1 8.177 ppm2 1.441 ASSI { 666} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "45 " and name "HD3 ")) 3.100 1.200 1.200 peak 666 weight 0.10000E+01 volume 0.14150E+05 ppm1 6.755 ppm2 1.683 OR { 666} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "45 " and name "HD2 ")) ASSI { 667} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "45 " and name "HB3 ")) 2.400 0.700 0.700 peak 667 weight 0.10000E+01 volume 0.73270E+05 ppm1 6.754 ppm2 1.818 OR { 667} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "45 " and name "HB2 ")) ASSI { 672} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "43 " and name "HG3 ")) 3.600 1.600 1.600 peak 672 weight 0.10000E+01 volume 0.58930E+04 ppm1 9.109 ppm2 2.273 ASSI { 676} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "42 " and name "HA ")) 2.700 0.900 0.900 peak 676 weight 0.10000E+01 volume 0.33840E+05 ppm1 9.110 ppm2 4.719 ASSI { 682} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) 4.100 2.100 2.100 peak 682 weight 0.10000E+01 volume 0.29520E+04 ppm1 8.386 ppm2 0.828 OR { 682} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) ASSI { 694} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HB2 ")) 2.700 0.900 0.900 peak 694 weight 0.10000E+01 volume 0.35370E+05 ppm1 7.849 ppm2 1.824 OR { 694} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HB3 ")) ASSI { 695} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HG3 ")) 4.700 2.800 2.300 peak 695 weight 0.10000E+01 volume 0.13100E+04 ppm1 7.848 ppm2 1.402 ASSI { 703} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "45 " and name "HN ")) 3.200 1.300 1.300 peak 703 weight 0.10000E+01 volume 0.12120E+05 ppm1 6.752 ppm2 8.197 ASSI { 723} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "46 " and name "HA ")) 4.400 2.400 2.400 peak 723 weight 0.10000E+01 volume 0.18100E+04 ppm1 7.643 ppm2 3.432 ASSI { 728} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) 3.300 1.400 1.400 peak 728 weight 0.10000E+01 volume 0.10900E+05 ppm1 7.903 ppm2 4.086 ASSI { 730} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "48 " and name "HB3 ")) 3.200 1.300 1.300 peak 730 weight 0.10000E+01 volume 0.12390E+05 ppm1 7.902 ppm2 1.849 ASSI { 741} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) 3.600 1.600 1.600 peak 741 weight 0.10000E+01 volume 0.65180E+04 ppm1 7.650 ppm2 0.444 OR { 741} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) ASSI { 748} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "51 " and name "HB ")) 2.900 1.100 1.100 peak 748 weight 0.10000E+01 volume 0.24030E+05 ppm1 8.326 ppm2 4.168 ASSI { 761} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "54 " and name "HN ")) 2.600 0.800 0.800 peak 761 weight 0.10000E+01 volume 0.42020E+05 ppm1 8.100 ppm2 7.704 ASSI { 764} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "54 " and name "HA1 ")) 3.600 1.600 1.600 peak 764 weight 0.10000E+01 volume 0.65290E+04 ppm1 8.100 ppm2 4.100 ASSI { 767} (( segid " " and resid "56 " and name "HN ")) (( segid " " and resid "55 " and name "HN ")) 4.000 2.000 2.000 peak 767 weight 0.10000E+01 volume 0.30700E+04 ppm1 8.548 ppm2 8.111 ASSI { 771} (( segid " " and resid "56 " and name "HN ")) (( segid " " and resid "57 " and name "HN ")) 3.700 1.700 1.700 peak 771 weight 0.10000E+01 volume 0.50930E+04 ppm1 8.549 ppm2 8.325 ASSI { 772} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "57 " and name "HN ")) 3.700 1.700 1.700 peak 772 weight 0.10000E+01 volume 0.48680E+04 ppm1 8.921 ppm2 8.317 ASSI { 773} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "67 " and name "HN ")) 3.400 1.400 1.400 peak 773 weight 0.10000E+01 volume 0.88530E+04 ppm1 8.921 ppm2 8.478 ASSI { 774} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "66 " and name "HN ")) 2.600 0.800 0.800 peak 774 weight 0.10000E+01 volume 0.40530E+05 ppm1 8.921 ppm2 8.768 ASSI { 776} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "63 " and name "HN ")) 4.200 2.200 2.200 peak 776 weight 0.10000E+01 volume 0.26100E+04 ppm1 8.735 ppm2 8.235 ASSI { 779} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "57 " and name "HB2 ")) 3.100 1.200 1.200 peak 779 weight 0.10000E+01 volume 0.16590E+05 ppm1 8.921 ppm2 1.358 OR { 779} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "57 " and name "HB3 ")) ASSI { 785} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) 3.400 1.400 1.400 peak 785 weight 0.10000E+01 volume 0.81080E+04 ppm1 8.319 ppm2 0.971 ASSI { 787} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "58 " and name "HB ")) 3.200 1.300 1.300 peak 787 weight 0.10000E+01 volume 0.12030E+05 ppm1 7.977 ppm2 3.952 ASSI { 789} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "59 " and name "HB3 ")) 3.000 1.100 1.100 peak 789 weight 0.10000E+01 volume 0.17030E+05 ppm1 8.733 ppm2 1.738 OR { 789} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "59 " and name "HB2 ")) ASSI { 790} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "59 " and name "HG3 ")) 3.400 1.400 1.400 peak 790 weight 0.10000E+01 volume 0.83400E+04 ppm1 8.733 ppm2 1.573 OR { 790} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "59 " and name "HG2 ")) ASSI { 794} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "65 " and name "HA ")) 4.000 2.000 2.000 peak 794 weight 0.10000E+01 volume 0.33620E+04 ppm1 8.733 ppm2 4.719 ASSI { 797} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) 2.400 0.700 0.700 peak 797 weight 0.10000E+01 volume 0.77300E+05 ppm1 8.488 ppm2 4.846 ASSI { 799} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "61 " and name "HA ")) 3.200 1.300 1.300 peak 799 weight 0.10000E+01 volume 0.12200E+05 ppm1 8.243 ppm2 4.161 ASSI { 801} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "59 " and name "HD3 ")) 4.100 2.100 2.100 peak 801 weight 0.10000E+01 volume 0.26490E+04 ppm1 8.243 ppm2 3.051 OR { 801} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "59 " and name "HD2 ")) ASSI { 805} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "63 " and name "HA ")) 2.800 1.000 1.000 peak 805 weight 0.10000E+01 volume 0.28070E+05 ppm1 8.006 ppm2 3.958 ASSI { 809} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HG2 ")) 3.700 1.700 1.700 peak 809 weight 0.10000E+01 volume 0.54530E+04 ppm1 8.516 ppm2 2.131 OR { 809} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HG3 ")) ASSI { 810} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HA ")) 2.200 0.600 0.600 peak 810 weight 0.10000E+01 volume 0.13490E+06 ppm1 8.515 ppm2 4.326 ASSI { 811} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "59 " and name "HA ")) 4.000 2.000 2.000 peak 811 weight 0.10000E+01 volume 0.35270E+04 ppm1 8.516 ppm2 4.878 ASSI { 815} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "59 " and name "HA ")) 3.200 1.300 1.300 peak 815 weight 0.10000E+01 volume 0.13200E+05 ppm1 8.766 ppm2 4.884 ASSI { 819} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "62 " and name "HN ")) 2.400 0.700 0.700 peak 819 weight 0.10000E+01 volume 0.72200E+05 ppm1 8.243 ppm2 7.429 ASSI { 821} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "64 " and name "HN ")) 2.500 0.800 0.800 peak 821 weight 0.10000E+01 volume 0.52970E+05 ppm1 8.243 ppm2 7.998 ASSI { 828} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "66 " and name "HB ")) 2.400 0.700 0.700 peak 828 weight 0.10000E+01 volume 0.67760E+05 ppm1 8.470 ppm2 1.835 ASSI { 830} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "24 " and name "HA ")) 2.700 0.900 0.900 peak 830 weight 0.10000E+01 volume 0.36620E+05 ppm1 8.469 ppm2 4.782 ASSI { 837} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "67 " and name "HB2 ")) 3.100 1.200 1.200 peak 837 weight 0.10000E+01 volume 0.14170E+05 ppm1 9.089 ppm2 2.681 ASSI { 844} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "68 " and name "HB2 ")) 2.500 0.800 0.800 peak 844 weight 0.10000E+01 volume 0.55880E+05 ppm1 8.670 ppm2 2.872 OR { 844} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "68 " and name "HB3 ")) ASSI { 845} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "56 " and name "HG22") OR ( segid " " and resid "56 " and name "HG23") OR ( segid " " and resid "56 " and name "HG21")) 4.100 2.100 2.100 peak 845 weight 0.10000E+01 volume 0.29080E+04 ppm1 8.436 ppm2 0.771 ASSI { 850} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "70 " and name "HB2 ")) 3.200 1.300 1.300 peak 850 weight 0.10000E+01 volume 0.12820E+05 ppm1 8.434 ppm2 2.354 ASSI { 851} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "70 " and name "HA ")) 2.100 0.600 0.600 peak 851 weight 0.10000E+01 volume 0.15200E+06 ppm1 8.436 ppm2 4.428 ASSI { 852} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "72 " and name "HB2 ")) 3.300 1.400 1.400 peak 852 weight 0.10000E+01 volume 0.10220E+05 ppm1 8.339 ppm2 2.053 ASSI { 853} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "72 " and name "HB3 ")) 4.000 2.000 2.000 peak 853 weight 0.10000E+01 volume 0.34280E+04 ppm1 8.339 ppm2 1.944 ASSI { 856} (( segid " " and resid "74 " and name "HN ")) (( segid " " and resid "73 " and name "HG ")) 3.400 1.400 1.400 peak 856 weight 0.10000E+01 volume 0.82100E+04 ppm1 8.467 ppm2 1.644 OR { 856} (( segid " " and resid "74 " and name "HN ")) (( segid " " and resid "73 " and name "HB3 ")) ASSI { 858} (( segid " " and resid "74 " and name "HN ")) (( segid " " and resid "73 " and name "HN ")) 2.900 1.100 1.100 peak 858 weight 0.10000E+01 volume 0.23320E+05 ppm1 8.468 ppm2 8.330 ASSI { 859} (( segid " " and resid "75 " and name "HN ")) (( segid " " and resid "74 " and name "HN ")) 2.900 1.100 1.100 peak 859 weight 0.10000E+01 volume 0.21200E+05 ppm1 7.933 ppm2 8.480 ASSI { 861} (( segid " " and resid "75 " and name "HN ")) (( segid " " and resid "74 " and name "HA1 ")) 2.900 1.100 1.100 peak 861 weight 0.10000E+01 volume 0.22340E+05 ppm1 7.934 ppm2 3.977 ASSI { 865} (( segid " " and resid "78 " and name "HN ")) (( segid " " and resid "77 " and name "HN ")) 3.500 1.500 1.500 peak 865 weight 0.10000E+01 volume 0.67960E+04 ppm1 7.815 ppm2 8.412 ASSI { 873} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HB3 ")) 4.000 2.000 2.000 peak 873 weight 0.10000E+01 volume 0.33710E+04 ppm1 7.417 ppm2 1.936 ASSI { 876} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) 3.600 1.600 1.600 peak 876 weight 0.10000E+01 volume 0.66070E+04 ppm1 9.573 ppm2 0.484 ASSI { 879} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "31 " and name "HB2 ") OR ( segid " " and resid "31 " and name "HB3 ") OR ( segid " " and resid "31 " and name "HB1 ")) 2.500 0.800 0.800 peak 879 weight 0.10000E+01 volume 0.62280E+05 ppm1 7.755 ppm2 1.485 ASSI { 880} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) 3.300 1.400 1.400 peak 880 weight 0.10000E+01 volume 0.10760E+05 ppm1 8.126 ppm2 0.511 ASSI { 891} (( segid " " and resid "37 " and name "HN ")) (( segid " " and resid "38 " and name "HN ")) 2.400 0.700 0.700 peak 891 weight 0.10000E+01 volume 0.72070E+05 ppm1 7.740 ppm2 7.628 ASSI { 893} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 3.200 1.300 1.300 peak 893 weight 0.10000E+01 volume 0.12590E+05 ppm1 7.641 ppm2 3.991 ASSI { 894} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "33 " and name "HB3 ")) 3.900 1.900 1.900 peak 894 weight 0.10000E+01 volume 0.41320E+04 ppm1 7.635 ppm2 1.275 ASSI { 898} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "38 " and name "HA ")) 2.200 0.600 0.600 peak 898 weight 0.10000E+01 volume 0.13530E+06 ppm1 8.344 ppm2 4.524 ASSI { 908} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "47 " and name "HB2 ")) 4.300 2.300 2.300 peak 908 weight 0.10000E+01 volume 0.19920E+04 ppm1 8.386 ppm2 4.085 OR { 908} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "47 " and name "HB3 ")) ASSI { 909} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "49 " and name "HN ")) 3.400 3.400 3.600 peak 909 weight 0.10000E+01 volume 0.87220E+04 ppm1 8.206 ppm2 7.928 ASSI { 912} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "47 " and name "HB2 ")) 4.000 2.000 2.000 peak 912 weight 0.10000E+01 volume 0.33540E+04 ppm1 7.850 ppm2 4.075 OR { 912} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "47 " and name "HB3 ")) ASSI { 913} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 3.900 1.900 1.900 peak 913 weight 0.10000E+01 volume 0.40190E+04 ppm1 7.850 ppm2 4.151 ASSI { 914} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 2.600 0.800 0.800 peak 914 weight 0.10000E+01 volume 0.45140E+05 ppm1 8.870 ppm2 4.167 ASSI { 917} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "45 " and name "HN ")) 3.900 1.900 1.900 peak 917 weight 0.10000E+01 volume 0.41240E+04 ppm1 7.642 ppm2 8.207 ASSI { 924} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HA ")) 3.700 1.700 1.700 peak 924 weight 0.10000E+01 volume 0.50590E+04 ppm1 7.649 ppm2 4.014 ASSI { 929} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "50 " and name "HA ")) 3.100 1.200 1.200 peak 929 weight 0.10000E+01 volume 0.14980E+05 ppm1 8.101 ppm2 4.016 ASSI { 934} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "59 " and name "HN ")) 4.400 2.400 2.400 peak 934 weight 0.10000E+01 volume 0.18880E+04 ppm1 8.922 ppm2 7.975 ASSI { 946} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "13 " and name "HN ")) 3.500 1.500 1.500 peak 946 weight 0.10000E+01 volume 0.75010E+04 ppm1 8.006 ppm2 8.177 ASSI { 948} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 3.800 1.800 1.800 peak 948 weight 0.10000E+01 volume 0.42060E+04 ppm1 8.170 ppm2 8.528 ASSI { 952} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "30 " and name "HN ")) 3.400 1.400 1.400 peak 952 weight 0.10000E+01 volume 0.81410E+04 ppm1 7.772 ppm2 8.126 ASSI { 954} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "31 " and name "HN ")) 3.200 1.300 1.300 peak 954 weight 0.10000E+01 volume 0.13010E+05 ppm1 8.123 ppm2 7.674 ASSI { 955} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "33 " and name "HN ")) 3.600 1.600 1.600 peak 955 weight 0.10000E+01 volume 0.65570E+04 ppm1 8.347 ppm2 8.121 ASSI { 963} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "49 " and name "HN ")) 3.700 1.700 1.700 peak 963 weight 0.10000E+01 volume 0.51980E+04 ppm1 8.871 ppm2 7.909 ASSI { 964} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "49 " and name "HN ")) 4.300 2.300 2.300 peak 964 weight 0.10000E+01 volume 0.22840E+04 ppm1 7.651 ppm2 7.903 ASSI { 965} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 4.400 2.400 2.400 peak 965 weight 0.10000E+01 volume 0.19450E+04 ppm1 8.326 ppm2 8.690 REMARKS distance restraints from ambiguous NOEs REMARKS used with AVERage SUM POTEntial SOFT OREXponent 6 ASSI { 5} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "8 " and name "HN ")) 6.000 6.000 1.000 peak 5 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.140 ppm2 8.705 OR { 5} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) OR { 5} (( segid " " and resid "8 " and name "HA ")) (( segid " " and resid "8 " and name "HN ")) OR { 5} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) ASSI { 31} (( segid " " and resid "2 " and name "HB2 ")) (( segid " " and resid "2 " and name "HN ")) 3.100 1.200 1.200 peak 31 weight 0.10000E+01 volume 0.90810E+05 ppm1 1.849 ppm2 8.848 OR { 31} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "14 " and name "HN ")) OR { 31} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "14 " and name "HN ")) ASSI { 59} (( segid " " and resid "2 " and name "HE ")) (( segid " " and resid "2 " and name "HN ")) 4.900 3.000 2.100 peak 59 weight 0.10000E+01 volume 0.59300E+04 ppm1 7.240 ppm2 8.848 OR { 59} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "14 " and name "HN ")) OR { 59} (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) (( segid " " and resid "14 " and name "HN ")) ASSI { 86} (( segid " " and resid "4 " and name "HA ")) (( segid " " and resid "4 " and name "HN ")) 6.000 6.000 1.000 peak 86 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.488 ppm2 8.535 OR { 86} (( segid " " and resid "3 " and name "HA ")) (( segid " " and resid "4 " and name "HN ")) ASSI { 94} (( segid " " and resid "3 " and name "HB3 ")) (( segid " " and resid "4 " and name "HN ")) 2.900 1.100 1.100 peak 94 weight 0.10000E+01 volume 0.13260E+06 ppm1 3.880 ppm2 8.535 OR { 94} (( segid " " and resid "4 " and name "HB3 ")) (( segid " " and resid "4 " and name "HN ")) ASSI { 101} (( segid " " and resid "5 " and name "HA ")) (( segid " " and resid "6 " and name "HN ")) 6.000 6.000 1.000 peak 101 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.350 ppm2 8.361 OR { 101} (( segid " " and resid "6 " and name "HA ")) (( segid " " and resid "6 " and name "HN ")) OR { 101} (( segid " " and resid "5 " and name "HA ")) (( segid " " and resid "5 " and name "HN ")) ASSI { 104} (( segid " " and resid "5 " and name "HB2 ") OR ( segid " " and resid "5 " and name "HB3 ") OR ( segid " " and resid "5 " and name "HB1 ")) (( segid " " and resid "6 " and name "HN ")) 6.000 6.000 1.000 peak 104 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.352 ppm2 8.361 OR { 104} (( segid " " and resid "5 " and name "HB2 ") OR ( segid " " and resid "5 " and name "HB3 ") OR ( segid " " and resid "5 " and name "HB1 ")) (( segid " " and resid "5 " and name "HN ")) ASSI { 246} (( segid " " and resid "8 " and name "HG2 ")) (( segid " " and resid "9 " and name "HN ")) 6.000 6.000 1.000 peak 246 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.398 ppm2 8.246 OR { 246} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 296} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "10 " and name "HN ")) 3.400 1.400 1.400 peak 296 weight 0.10000E+01 volume 0.49760E+05 ppm1 0.753 ppm2 7.925 OR { 296} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "10 " and name "HN ")) OR { 296} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "22 " and name "HN ")) ASSI { 524} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "16 " and name "HN ")) 6.000 6.000 1.000 peak 524 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.075 ppm2 7.775 OR { 524} (( segid " " and resid "27 " and name "HA1 ")) (( segid " " and resid "28 " and name "HN ")) ASSI { 565} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "31 " and name "HN ")) 6.000 6.000 1.000 peak 565 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.780 ppm2 7.673 OR { 565} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "17 " and name "HN ")) ASSI { 572} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "17 " and name "HN ")) 3.200 1.300 1.300 peak 572 weight 0.10000E+01 volume 0.73290E+05 ppm1 0.524 ppm2 7.673 OR { 572} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "31 " and name "HN ")) ASSI { 593} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "18 " and name "HN ")) 3.000 1.100 1.100 peak 593 weight 0.10000E+01 volume 0.11220E+06 ppm1 0.419 ppm2 7.529 OR { 593} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "18 " and name "HN ")) ASSI { 600} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "18 " and name "HN ")) 2.900 1.100 1.100 peak 600 weight 0.10000E+01 volume 0.15090E+06 ppm1 0.485 ppm2 7.529 OR { 600} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) ASSI { 676} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "45 " and name "HN ")) 3.800 1.800 1.800 peak 676 weight 0.10000E+01 volume 0.28150E+05 ppm1 1.710 ppm2 8.222 OR { 676} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "19 " and name "HN ")) OR { 676} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "19 " and name "HN ")) OR { 676} (( segid " " and resid "19 " and name "HD3 ")) (( segid " " and resid "19 " and name "HN ")) OR { 676} (( segid " " and resid "19 " and name "HD2 ")) (( segid " " and resid "19 " and name "HN ")) ASSI { 707} (( segid " " and resid "64 " and name "HG3 ")) (( segid " " and resid "62 " and name "HN ")) 2.900 1.100 1.100 peak 707 weight 0.10000E+01 volume 0.12780E+06 ppm1 2.091 ppm2 7.422 OR { 707} (( segid " " and resid "20 " and name "HB3 ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 729} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HN ")) 6.000 6.000 1.000 peak 729 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.220 ppm2 7.920 OR { 729} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "22 " and name "HN ")) ASSI { 735} (( segid " " and resid "21 " and name "HB3 ")) (( segid " " and resid "21 " and name "HN ")) 6.000 6.000 1.000 peak 735 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.976 ppm2 7.920 OR { 735} (( segid " " and resid "21 " and name "HB3 ")) (( segid " " and resid "22 " and name "HN ")) ASSI { 741} (( segid " " and resid "21 " and name "HG2 ")) (( segid " " and resid "21 " and name "HN ")) 6.000 6.000 1.000 peak 741 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.427 ppm2 7.920 OR { 741} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "10 " and name "HN ")) ASSI { 785} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "22 " and name "HN ")) 2.800 1.000 1.000 peak 785 weight 0.10000E+01 volume 0.16060E+06 ppm1 0.648 ppm2 7.924 OR { 785} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "22 " and name "HN ")) ASSI { 801} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "22 " and name "HN ")) 6.000 6.000 1.000 peak 801 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.374 ppm2 7.924 OR { 801} (( segid " " and resid "22 " and name "HD2 ")) (( segid " " and resid "22 " and name "HN ")) OR { 801} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "21 " and name "HN ")) ASSI { 835} (( segid " " and resid "59 " and name "HD3 ")) (( segid " " and resid "59 " and name "HE ")) 6.000 6.000 1.000 peak 835 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.054 ppm2 7.275 OR { 835} (( segid " " and resid "59 " and name "HD2 ")) (( segid " " and resid "59 " and name "HE ")) OR { 835} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) ASSI { 843} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 6.000 6.000 1.000 peak 843 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.386 ppm2 7.422 OR { 843} (( segid " " and resid "23 " and name "HB3 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) ASSI { 844} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "23 " and name "HZ ")) 6.000 6.000 1.000 peak 844 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.386 ppm2 7.357 OR { 844} (( segid " " and resid "23 " and name "HB3 ")) (( segid " " and resid "23 " and name "HZ ")) ASSI { 1013} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "30 " and name "HN ")) 2.500 2.500 4.500 peak 1013 weight 0.10000E+01 volume 0.30480E+06 ppm1 0.806 ppm2 8.132 OR { 1013} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "33 " and name "HN ")) ASSI { 1043} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) 6.000 6.000 1.000 peak 1043 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.216 ppm2 8.135 OR { 1043} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) ASSI { 1093} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "8 " and name "HN ")) 6.000 6.000 1.000 peak 1093 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.141 ppm2 8.716 OR { 1093} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) OR { 1093} (( segid " " and resid "8 " and name "HA ")) (( segid " " and resid "8 " and name "HN ")) OR { 1093} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) ASSI { 1109} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "34 " and name "HN ")) 6.000 6.000 1.000 peak 1109 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.041 ppm2 8.716 OR { 1109} (( segid " " and resid "6 " and name "HB2 ")) (( segid " " and resid "8 " and name "HN ")) ASSI { 1115} (( segid " " and resid "34 " and name "HB3 ")) (( segid " " and resid "34 " and name "HE21")) 4.600 2.600 2.400 peak 1115 weight 0.10000E+01 volume 0.93300E+04 ppm1 2.041 ppm2 7.202 OR { 1115} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "34 " and name "HE21")) ASSI { 1125} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "34 " and name "HN ")) 2.700 0.900 0.900 peak 1125 weight 0.10000E+01 volume 0.20220E+06 ppm1 2.495 ppm2 8.716 OR { 1125} (( segid " " and resid "9 " and name "HG3 ")) (( segid " " and resid "8 " and name "HN ")) OR { 1125} (( segid " " and resid "35 " and name "HG2 ")) (( segid " " and resid "34 " and name "HN ")) ASSI { 1167} (( segid " " and resid "35 " and name "HB3 ")) (( segid " " and resid "35 " and name "HN ")) 6.000 6.000 1.000 peak 1167 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.240 ppm2 8.332 OR { 1167} (( segid " " and resid "36 " and name "HB3 ")) (( segid " " and resid "35 " and name "HN ")) ASSI { 1195} (( segid " " and resid "35 " and name "HG2 ")) (( segid " " and resid "36 " and name "HN ")) 2.400 2.400 4.600 peak 1195 weight 0.10000E+01 volume 0.40580E+06 ppm1 2.483 ppm2 7.384 OR { 1195} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HN ")) ASSI { 1245} (( segid " " and resid "28 " and name "HG3 ")) (( segid " " and resid "29 " and name "HN ")) 6.000 6.000 1.000 peak 1245 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.581 ppm2 7.255 OR { 1245} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "29 " and name "HN ")) OR { 1245} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) ASSI { 1302} (( segid " " and resid "40 " and name "HB3 ")) (( segid " " and resid "40 " and name "HN ")) 2.900 1.100 1.100 peak 1302 weight 0.10000E+01 volume 0.15400E+06 ppm1 2.820 ppm2 8.778 OR { 1302} (( segid " " and resid "60 " and name "HB3 ")) (( segid " " and resid "66 " and name "HN ")) ASSI { 1314} (( segid " " and resid "40 " and name "HD22")) (( segid " " and resid "40 " and name "HN ")) 4.700 2.800 2.300 peak 1314 weight 0.10000E+01 volume 0.77070E+04 ppm1 6.860 ppm2 8.778 OR { 1314} (( segid " " and resid "57 " and name "HE ")) (( segid " " and resid "66 " and name "HN ")) ASSI { 1497} (( segid " " and resid "45 " and name "HD3 ")) (( segid " " and resid "45 " and name "HN ")) 3.300 1.400 1.400 peak 1497 weight 0.10000E+01 volume 0.59720E+05 ppm1 1.684 ppm2 8.213 OR { 1497} (( segid " " and resid "69 " and name "HB3 ")) (( segid " " and resid "19 " and name "HN ")) OR { 1497} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "19 " and name "HN ")) OR { 1497} (( segid " " and resid "19 " and name "HD3 ")) (( segid " " and resid "19 " and name "HN ")) OR { 1497} (( segid " " and resid "19 " and name "HD2 ")) (( segid " " and resid "19 " and name "HN ")) ASSI { 1536} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "46 " and name "HN ")) 3.200 1.300 1.300 peak 1536 weight 0.10000E+01 volume 0.79400E+05 ppm1 0.949 ppm2 7.848 OR { 1536} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "46 " and name "HN ")) ASSI { 1564} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "48 " and name "HN ")) 6.000 6.000 1.000 peak 1564 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.097 ppm2 7.657 OR { 1564} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) OR { 1564} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) OR { 1564} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) ASSI { 1581} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "48 " and name "HE ")) 6.000 6.000 1.000 peak 1581 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.931 ppm2 7.188 OR { 1581} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "34 " and name "HE21")) ASSI { 1666} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "49 " and name "HN ")) 6.000 6.000 1.000 peak 1666 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.059 ppm2 7.933 OR { 1666} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "49 " and name "HN ")) ASSI { 1696} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "8 " and name "HN ")) 2.300 0.700 0.700 peak 1696 weight 0.10000E+01 volume 0.59480E+06 ppm1 1.890 ppm2 8.704 OR { 1696} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "50 " and name "HN ")) ASSI { 1716} (( segid " " and resid "51 " and name "HB ")) (( segid " " and resid "51 " and name "HN ")) 6.000 6.000 1.000 peak 1716 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.169 ppm2 7.644 OR { 1716} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "38 " and name "HN ")) ASSI { 1720} (( segid " " and resid "51 " and name "HG21") OR ( segid " " and resid "51 " and name "HG23") OR ( segid " " and resid "51 " and name "HG22")) (( segid " " and resid "51 " and name "HN ")) 3.100 1.200 1.200 peak 1720 weight 0.10000E+01 volume 0.10140E+06 ppm1 1.255 ppm2 7.644 OR { 1720} (( segid " " and resid "33 " and name "HB3 ")) (( segid " " and resid "38 " and name "HN ")) ASSI { 1850} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 4.700 2.800 2.300 peak 1850 weight 0.10000E+01 volume 0.77240E+04 ppm1 2.880 ppm2 7.228 OR { 1850} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) ASSI { 1885} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "55 " and name "HN ")) 2.700 0.900 0.900 peak 1885 weight 0.10000E+01 volume 0.22860E+06 ppm1 4.588 ppm2 8.120 OR { 1885} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "41 " and name "HN ")) ASSI { 1901} (( segid " " and resid "56 " and name "HB ")) (( segid " " and resid "56 " and name "HN ")) 6.000 6.000 1.000 peak 1901 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.136 ppm2 8.552 OR { 1901} (( segid " " and resid "70 " and name "HG3 ")) (( segid " " and resid "56 " and name "HN ")) ASSI { 1906} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "56 " and name "HN ")) 2.800 1.000 1.000 peak 1906 weight 0.10000E+01 volume 0.16640E+06 ppm1 0.971 ppm2 8.552 OR { 1906} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "56 " and name "HN ")) ASSI { 1970} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "35 " and name "HN ")) 4.100 2.100 2.100 peak 1970 weight 0.10000E+01 volume 0.17390E+05 ppm1 2.799 ppm2 8.323 OR { 1970} (( segid " " and resid "57 " and name "HD2 ")) (( segid " " and resid "57 " and name "HN ")) ASSI { 2055} (( segid " " and resid "59 " and name "HE ")) (( segid " " and resid "59 " and name "HN ")) 4.000 2.000 2.000 peak 2055 weight 0.10000E+01 volume 0.18970E+05 ppm1 7.261 ppm2 7.986 OR { 2055} (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) (( segid " " and resid "25 " and name "HN ")) OR { 2055} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "25 " and name "HN ")) OR { 2055} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "11 " and name "HN ")) ASSI { 2101} (( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "62 " and name "HN ")) 2.900 1.100 1.100 peak 2101 weight 0.10000E+01 volume 0.14300E+06 ppm1 2.061 ppm2 7.420 OR { 2101} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) ASSI { 2129} (( segid " " and resid "62 " and name "HE2 ")) (( segid " " and resid "62 " and name "HN ")) 3.500 1.500 1.500 peak 2129 weight 0.10000E+01 volume 0.42720E+05 ppm1 2.950 ppm2 7.420 OR { 2129} (( segid " " and resid "62 " and name "HE3 ")) (( segid " " and resid "62 " and name "HN ")) OR { 2129} (( segid " " and resid "19 " and name "HE3 ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 2226} (( segid " " and resid "6 " and name "HG2 ")) (( segid " " and resid "7 " and name "HN ")) 2.900 1.100 1.100 peak 2226 weight 0.10000E+01 volume 0.14850E+06 ppm1 1.601 ppm2 8.531 OR { 2226} (( segid " " and resid "65 " and name "HB3 ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 2254} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "66 " and name "HN ")) 3.000 1.100 1.100 peak 2254 weight 0.10000E+01 volume 0.10400E+06 ppm1 1.834 ppm2 8.777 OR { 2254} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "66 " and name "HN ")) ASSI { 2286} (( segid " " and resid "57 " and name "HD3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.100 1.200 1.200 peak 2286 weight 0.10000E+01 volume 0.10230E+06 ppm1 2.687 ppm2 6.594 OR { 2286} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) ASSI { 2464} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "73 " and name "HN ")) 3.300 1.400 1.400 peak 2464 weight 0.10000E+01 volume 0.62560E+05 ppm1 0.956 ppm2 8.330 OR { 2464} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "57 " and name "HN ")) OR { 2464} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "73 " and name "HN ")) ASSI { 2507} (( segid " " and resid "75 " and name "HG22") OR ( segid " " and resid "75 " and name "HG23") OR ( segid " " and resid "75 " and name "HG21")) (( segid " " and resid "75 " and name "HN ")) 3.100 1.200 1.200 peak 2507 weight 0.10000E+01 volume 0.90350E+05 ppm1 0.926 ppm2 7.941 OR { 2507} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "49 " and name "HN ")) ASSI { 38} (( segid " " and resid "5 " and name "HA ")) (( segid " " and resid "6 " and name "HN ")) 6.000 6.000 1.000 peak 38 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.350 ppm2 8.359 OR { 38} (( segid " " and resid "6 " and name "HA ")) (( segid " " and resid "6 " and name "HN ")) OR { 38} (( segid " " and resid "5 " and name "HA ")) (( segid " " and resid "5 " and name "HN ")) ASSI { 46} (( segid " " and resid "6 " and name "HA ")) (( segid " " and resid "7 " and name "HN ")) 6.000 6.000 1.000 peak 46 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.338 ppm2 8.518 OR { 46} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 49} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "7 " and name "HN ")) 6.000 6.000 1.000 peak 49 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.869 ppm2 8.518 OR { 49} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 68} (( segid " " and resid "8 " and name "HB2 ")) (( segid " " and resid "9 " and name "HN ")) 2.600 0.800 0.800 peak 68 weight 0.10000E+01 volume 0.25530E+06 ppm1 2.130 ppm2 8.246 OR { 68} (( segid " " and resid "8 " and name "HB3 ")) (( segid " " and resid "9 " and name "HN ")) OR { 68} (( segid " " and resid "7 " and name "HB3 ")) (( segid " " and resid "9 " and name "HN ")) OR { 68} (( segid " " and resid "11 " and name "HB ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 70} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "14 " and name "HN ")) 5.800 4.200 1.200 peak 70 weight 0.10000E+01 volume 0.22230E+04 ppm1 8.246 ppm2 8.834 OR { 70} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "14 " and name "HN ")) ASSI { 86} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "59 " and name "HN ")) 6.000 6.000 1.000 peak 86 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.834 ppm2 7.993 OR { 86} (( segid " " and resid "10 " and name "HB2 ")) (( segid " " and resid "11 " and name "HN ")) ASSI { 168} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 2.900 1.100 1.100 peak 168 weight 0.10000E+01 volume 0.13570E+06 ppm1 2.022 ppm2 7.422 OR { 168} (( segid " " and resid "19 " and name "HB2 ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 169} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.600 1.600 1.600 peak 169 weight 0.10000E+01 volume 0.38530E+05 ppm1 1.936 ppm2 7.422 OR { 169} (( segid " " and resid "19 " and name "HB3 ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 176} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) 6.000 6.000 1.000 peak 176 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.090 ppm2 7.920 OR { 176} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "49 " and name "HN ")) ASSI { 179} (( segid " " and resid "7 " and name "HB3 ")) (( segid " " and resid "10 " and name "HN ")) 6.000 6.000 1.000 peak 179 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.091 ppm2 7.920 OR { 179} (( segid " " and resid "20 " and name "HB3 ")) (( segid " " and resid "21 " and name "HN ")) OR { 179} (( segid " " and resid "20 " and name "HB3 ")) (( segid " " and resid "22 " and name "HN ")) ASSI { 209} (( segid " " and resid "23 " and name "HB3 ")) (( segid " " and resid "24 " and name "HN ")) 4.200 2.200 2.200 peak 209 weight 0.10000E+01 volume 0.14600E+05 ppm1 2.386 ppm2 9.548 OR { 209} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "24 " and name "HN ")) ASSI { 255} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "29 " and name "HN ")) 2.700 0.900 0.900 peak 255 weight 0.10000E+01 volume 0.21160E+06 ppm1 4.194 ppm2 7.260 OR { 255} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) ASSI { 257} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "29 " and name "HN ")) 6.000 6.000 1.000 peak 257 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.488 ppm2 7.260 OR { 257} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) ASSI { 258} (( segid " " and resid "9 " and name "HB2 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 6.000 6.000 1.000 peak 258 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.406 ppm2 7.260 OR { 258} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "29 " and name "HN ")) ASSI { 265} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "30 " and name "HN ")) 2.900 1.100 1.100 peak 265 weight 0.10000E+01 volume 0.14890E+06 ppm1 3.150 ppm2 8.132 OR { 265} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) ASSI { 267} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "30 " and name "HN ")) 2.400 2.400 4.600 peak 267 weight 0.10000E+01 volume 0.46210E+06 ppm1 1.959 ppm2 8.132 OR { 267} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "30 " and name "HN ")) OR { 267} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "33 " and name "HN ")) ASSI { 298} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) 3.000 1.100 1.100 peak 298 weight 0.10000E+01 volume 0.11990E+06 ppm1 4.216 ppm2 8.716 OR { 298} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) ASSI { 300} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "34 " and name "HN ")) 6.000 6.000 1.000 peak 300 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.023 ppm2 8.716 OR { 300} (( segid " " and resid "6 " and name "HB2 ")) (( segid " " and resid "8 " and name "HN ")) ASSI { 308} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "35 " and name "HN ")) 6.000 6.000 1.000 peak 308 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.141 ppm2 8.332 OR { 308} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "35 " and name "HN ")) ASSI { 338} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) 6.000 6.000 1.000 peak 338 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.093 ppm2 7.639 OR { 338} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) OR { 338} (( segid " " and resid "37 " and name "HA1 ")) (( segid " " and resid "38 " and name "HN ")) ASSI { 370} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "55 " and name "HN ")) 3.100 1.200 1.200 peak 370 weight 0.10000E+01 volume 0.10150E+06 ppm1 2.868 ppm2 8.108 OR { 370} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "41 " and name "HN ")) ASSI { 432} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) 6.000 6.000 1.000 peak 432 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.823 ppm2 7.657 OR { 432} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) ASSI { 434} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "48 " and name "HN ")) 6.000 6.000 1.000 peak 434 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.083 ppm2 7.657 OR { 434} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) OR { 434} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) OR { 434} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) ASSI { 440} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) 6.000 6.000 1.000 peak 440 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.097 ppm2 7.933 OR { 440} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "49 " and name "HN ")) ASSI { 460} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) 6.000 6.000 1.000 peak 460 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.025 ppm2 7.644 OR { 460} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) ASSI { 470} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "52 " and name "HN ")) 6.000 6.000 1.000 peak 470 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.097 ppm2 8.348 OR { 470} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "52 " and name "HN ")) ASSI { 498} (( segid " " and resid "54 " and name "HA1 ")) (( segid " " and resid "55 " and name "HN ")) 3.900 1.900 1.900 peak 498 weight 0.10000E+01 volume 0.23140E+05 ppm1 4.101 ppm2 8.120 OR { 498} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "55 " and name "HN ")) ASSI { 585} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "63 " and name "HN ")) 2.600 0.800 0.800 peak 585 weight 0.10000E+01 volume 0.29640E+06 ppm1 8.010 ppm2 8.252 OR { 585} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 592} (( segid " " and resid "6 " and name "HB3 ")) (( segid " " and resid "7 " and name "HN ")) 6.000 6.000 1.000 peak 592 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 8.531 OR { 592} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "65 " and name "HN ")) OR { 592} (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 593} (( segid " " and resid "6 " and name "HD3 ")) (( segid " " and resid "7 " and name "HN ")) 6.000 6.000 1.000 peak 593 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.746 ppm2 8.531 OR { 593} (( segid " " and resid "59 " and name "HB3 ")) (( segid " " and resid "65 " and name "HN ")) OR { 593} (( segid " " and resid "64 " and name "HB3 ")) (( segid " " and resid "65 " and name "HN ")) OR { 593} (( segid " " and resid "6 " and name "HD2 ")) (( segid " " and resid "7 " and name "HN ")) ASSI { 659} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "67 " and name "HN ")) 6.000 6.000 1.000 peak 659 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.330 ppm2 8.465 OR { 659} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "74 " and name "HN ")) OR { 659} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "72 " and name "HN ")) ASSI { 666} (( segid " " and resid "73 " and name "HB3 ")) (( segid " " and resid "74 " and name "HN ")) 3.700 1.700 1.700 peak 666 weight 0.10000E+01 volume 0.32860E+05 ppm1 1.633 ppm2 8.467 OR { 666} (( segid " " and resid "73 " and name "HB3 ")) (( segid " " and resid "72 " and name "HN ")) ASSI { 2832} (( segid " " and resid "43 " and name "HE22")) (( segid " " and resid "27 " and name "HN ")) 4.200 2.200 2.200 peak 2832 weight 0.10000E+01 volume 0.14460E+05 ppm1 6.901 ppm2 9.069 OR { 2832} (( segid " " and resid "26 " and name "HE21")) (( segid " " and resid "27 " and name "HN ")) ASSI { 2833} (( segid " " and resid "43 " and name "HE22")) (( segid " " and resid "43 " and name "HN ")) 5.200 3.400 1.800 peak 2833 weight 0.10000E+01 volume 0.40670E+04 ppm1 6.902 ppm2 9.102 OR { 2833} (( segid " " and resid "57 " and name "HE ")) (( segid " " and resid "68 " and name "HN ")) ASSI { 2837} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "47 " and name "HN ")) 5.500 3.800 1.500 peak 2837 weight 0.10000E+01 volume 0.31430E+04 ppm1 7.012 ppm2 8.854 OR { 2837} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "14 " and name "HN ")) ASSI { 2843} (( segid " " and resid "42 " and name "HD21")) (( segid " " and resid "43 " and name "HN ")) 4.400 2.400 2.400 peak 2843 weight 0.10000E+01 volume 0.11640E+05 ppm1 7.620 ppm2 9.101 OR { 2843} (( segid " " and resid "43 " and name "HE21")) (( segid " " and resid "43 " and name "HN ")) ASSI { 2846} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "43 " and name "HN ")) 5.300 3.500 1.700 peak 2846 weight 0.10000E+01 volume 0.36790E+04 ppm1 8.120 ppm2 9.101 OR { 2846} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "68 " and name "HN ")) OR { 2846} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "43 " and name "HN ")) ASSI { 2869} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "55 " and name "HN ")) 5.000 3.100 2.000 peak 2869 weight 0.10000E+01 volume 0.54720E+04 ppm1 7.010 ppm2 8.121 OR { 2869} (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) (( segid " " and resid "30 " and name "HN ")) ASSI { 2875} (( segid " " and resid "59 " and name "HE ")) (( segid " " and resid "65 " and name "HN ")) 5.000 3.100 2.000 peak 2875 weight 0.10000E+01 volume 0.50650E+04 ppm1 7.255 ppm2 8.522 OR { 2875} (( segid " " and resid "2 " and name "HE ")) (( segid " " and resid "4 " and name "HN ")) OR { 2875} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "7 " and name "HN ")) ASSI { 2878} (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) (( segid " " and resid "15 " and name "HN ")) 4.700 2.800 2.300 peak 2878 weight 0.10000E+01 volume 0.73460E+04 ppm1 7.519 ppm2 8.555 OR { 2878} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) ASSI { 2884} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 4.500 2.500 2.500 peak 2884 weight 0.10000E+01 volume 0.10450E+05 ppm1 8.220 ppm2 8.554 OR { 2884} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "56 " and name "HN ")) ASSI { 2886} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "10 " and name "HN ")) 2.800 1.000 1.000 peak 2886 weight 0.10000E+01 volume 0.16910E+06 ppm1 7.257 ppm2 7.926 OR { 2886} (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) (( segid " " and resid "22 " and name "HN ")) ASSI { 2891} (( segid " " and resid "7 " and name "HE21")) (( segid " " and resid "10 " and name "HN ")) 4.900 3.000 2.100 peak 2891 weight 0.10000E+01 volume 0.61250E+04 ppm1 7.505 ppm2 7.922 OR { 2891} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "21 " and name "HN ")) OR { 2891} (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) (( segid " " and resid "49 " and name "HN ")) ASSI { 2897} (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) (( segid " " and resid "50 " and name "HN ")) 5.200 3.400 1.800 peak 2897 weight 0.10000E+01 volume 0.40010E+04 ppm1 7.246 ppm2 8.700 OR { 2897} (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) (( segid " " and resid "8 " and name "HN ")) ASSI { 2900} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "68 " and name "HN ")) 3.600 1.600 1.600 peak 2900 weight 0.10000E+01 volume 0.37190E+05 ppm1 4.584 ppm2 9.106 OR { 2900} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "68 " and name "HN ")) ASSI { 2913} (( segid " " and resid "27 " and name "HA1 ")) (( segid " " and resid "26 " and name "HN ")) 4.300 2.300 2.300 peak 2913 weight 0.10000E+01 volume 0.14000E+05 ppm1 4.069 ppm2 9.633 OR { 2913} (( segid " " and resid "47 " and name "HB3 ")) (( segid " " and resid "26 " and name "HN ")) ASSI { 2931} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "47 " and name "HN ")) 3.500 1.500 1.500 peak 2931 weight 0.10000E+01 volume 0.48710E+05 ppm1 1.925 ppm2 8.852 OR { 2931} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "47 " and name "HN ")) OR { 2931} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "14 " and name "HN ")) ASSI { 2932} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "14 " and name "HN ")) 3.200 1.300 1.300 peak 2932 weight 0.10000E+01 volume 0.76650E+05 ppm1 1.407 ppm2 8.844 OR { 2932} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "47 " and name "HN ")) OR { 2932} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "47 " and name "HN ")) ASSI { 2935} (( segid " " and resid "5 " and name "HB2 ") OR ( segid " " and resid "5 " and name "HB3 ") OR ( segid " " and resid "5 " and name "HB1 ")) (( segid " " and resid "8 " and name "HN ")) 4.900 3.000 2.100 peak 2935 weight 0.10000E+01 volume 0.56900E+04 ppm1 1.341 ppm2 8.700 OR { 2935} (( segid " " and resid "10 " and name "HB3 ")) (( segid " " and resid "8 " and name "HN ")) ASSI { 2945} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "47 " and name "HN ")) 4.300 2.300 2.300 peak 2945 weight 0.10000E+01 volume 0.13590E+05 ppm1 0.854 ppm2 8.856 OR { 2945} (( segid " " and resid "11 " and name "HG22") OR ( segid " " and resid "11 " and name "HG23") OR ( segid " " and resid "11 " and name "HG21")) (( segid " " and resid "14 " and name "HN ")) ASSI { 2954} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "68 " and name "HN ")) 3.800 1.800 1.800 peak 2954 weight 0.10000E+01 volume 0.27220E+05 ppm1 0.463 ppm2 9.106 OR { 2954} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "68 " and name "HN ")) ASSI { 2958} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "43 " and name "HN ")) 3.700 1.700 1.700 peak 2958 weight 0.10000E+01 volume 0.31810E+05 ppm1 0.898 ppm2 9.103 OR { 2958} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "43 " and name "HN ")) ASSI { 2959} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "43 " and name "HN ")) 3.400 1.400 1.400 peak 2959 weight 0.10000E+01 volume 0.51830E+05 ppm1 0.952 ppm2 9.101 OR { 2959} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "68 " and name "HN ")) OR { 2959} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "68 " and name "HN ")) ASSI { 2962} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "14 " and name "HN ")) 4.200 2.200 2.200 peak 2962 weight 0.10000E+01 volume 0.14990E+05 ppm1 1.096 ppm2 8.846 OR { 2962} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "14 " and name "HN ")) ASSI { 2966} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "34 " and name "HN ")) 2.900 1.100 1.100 peak 2966 weight 0.10000E+01 volume 0.13540E+06 ppm1 0.935 ppm2 8.712 OR { 2966} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "50 " and name "HN ")) ASSI { 2972} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "25 " and name "HN ")) 4.000 2.000 2.000 peak 2972 weight 0.10000E+01 volume 0.20700E+05 ppm1 4.743 ppm2 7.995 OR { 2972} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "59 " and name "HN ")) ASSI { 2973} (( segid " " and resid "6 " and name "HA ")) (( segid " " and resid "10 " and name "HN ")) 4.600 2.600 2.400 peak 2973 weight 0.10000E+01 volume 0.92700E+04 ppm1 4.336 ppm2 7.924 OR { 2973} (( segid " " and resid "5 " and name "HA ")) (( segid " " and resid "10 " and name "HN ")) OR { 2973} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "22 " and name "HN ")) OR { 2973} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "22 " and name "HN ")) ASSI { 2978} (( segid " " and resid "76 " and name "HA ")) (( segid " " and resid "78 " and name "HN ")) 3.700 1.700 1.700 peak 2978 weight 0.10000E+01 volume 0.33970E+05 ppm1 4.514 ppm2 7.837 OR { 2978} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "60 " and name "HD21")) ASSI { 2979} (( segid " " and resid "21 " and name "HA ")) (( segid " " and resid "23 " and name "HN ")) 3.600 1.600 1.600 peak 2979 weight 0.10000E+01 volume 0.35660E+05 ppm1 3.970 ppm2 8.323 OR { 2979} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "23 " and name "HN ")) ASSI { 2982} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "30 " and name "HN ")) 3.700 1.700 1.700 peak 2982 weight 0.10000E+01 volume 0.30900E+05 ppm1 3.797 ppm2 8.133 OR { 2982} (( segid " " and resid "70 " and name "HD3 ")) (( segid " " and resid "55 " and name "HN ")) ASSI { 2990} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "19 " and name "HN ")) 3.600 1.600 1.600 peak 2990 weight 0.10000E+01 volume 0.36240E+05 ppm1 3.433 ppm2 8.218 OR { 2990} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "45 " and name "HN ")) ASSI { 2994} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "41 " and name "HN ")) 4.600 2.600 2.400 peak 2994 weight 0.10000E+01 volume 0.82280E+04 ppm1 3.002 ppm2 8.106 OR { 2994} (( segid " " and resid "42 " and name "HB3 ")) (( segid " " and resid "41 " and name "HN ")) ASSI { 2997} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "41 " and name "HN ")) 4.100 2.100 2.100 peak 2997 weight 0.10000E+01 volume 0.18740E+05 ppm1 2.603 ppm2 8.108 OR { 2997} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "41 " and name "HN ")) ASSI { 2998} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "33 " and name "HN ")) 4.200 2.200 2.200 peak 2998 weight 0.10000E+01 volume 0.14530E+05 ppm1 2.619 ppm2 8.136 OR { 2998} (( segid " " and resid "28 " and name "HG3 ")) (( segid " " and resid "30 " and name "HN ")) OR { 2998} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "30 " and name "HN ")) OR { 2998} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "30 " and name "HN ")) ASSI { 3003} (( segid " " and resid "35 " and name "HG2 ")) (( segid " " and resid "33 " and name "HN ")) 4.500 2.500 2.500 peak 3003 weight 0.10000E+01 volume 0.10310E+05 ppm1 2.491 ppm2 8.137 OR { 3003} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "30 " and name "HN ")) OR { 3003} (( segid " " and resid "34 " and name "HG3 ")) (( segid " " and resid "33 " and name "HN ")) ASSI { 3007} (( segid " " and resid "9 " and name "HG3 ")) (( segid " " and resid "6 " and name "HN ")) 3.900 1.900 1.900 peak 3007 weight 0.10000E+01 volume 0.25030E+05 ppm1 2.513 ppm2 8.359 OR { 3007} (( segid " " and resid "9 " and name "HG2 ")) (( segid " " and resid "6 " and name "HN ")) OR { 3007} (( segid " " and resid "9 " and name "HG3 ")) (( segid " " and resid "5 " and name "HN ")) ASSI { 3009} (( segid " " and resid "23 " and name "HB3 ")) (( segid " " and resid "25 " and name "HN ")) 3.100 1.200 1.200 peak 3009 weight 0.10000E+01 volume 0.88920E+05 ppm1 2.392 ppm2 7.994 OR { 3009} (( segid " " and resid "28 " and name "HB3 ")) (( segid " " and resid "25 " and name "HN ")) ASSI { 3015} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "11 " and name "HN ")) 3.300 1.400 1.400 peak 3015 weight 0.10000E+01 volume 0.67430E+05 ppm1 1.908 ppm2 8.001 OR { 3015} (( segid " " and resid "12 " and name "HB2 ")) (( segid " " and resid "11 " and name "HN ")) OR { 3015} (( segid " " and resid "65 " and name "HB2 ")) (( segid " " and resid "64 " and name "HN ")) ASSI { 3017} (( segid " " and resid "61 " and name "HB2 ") OR ( segid " " and resid "61 " and name "HB3 ") OR ( segid " " and resid "61 " and name "HB1 ")) (( segid " " and resid "63 " and name "HN ")) 4.900 3.000 2.100 peak 3017 weight 0.10000E+01 volume 0.56880E+04 ppm1 1.468 ppm2 8.248 OR { 3017} (( segid " " and resid "62 " and name "HG3 ")) (( segid " " and resid "63 " and name "HN ")) OR { 3017} (( segid " " and resid "62 " and name "HG2 ")) (( segid " " and resid "63 " and name "HN ")) ASSI { 3018} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "11 " and name "HN ")) 5.100 3.300 1.900 peak 3018 weight 0.10000E+01 volume 0.47390E+04 ppm1 1.405 ppm2 7.990 OR { 3018} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "59 " and name "HN ")) OR { 3018} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "25 " and name "HN ")) ASSI { 3020} (( segid " " and resid "5 " and name "HB2 ") OR ( segid " " and resid "5 " and name "HB3 ") OR ( segid " " and resid "5 " and name "HB1 ")) (( segid " " and resid "4 " and name "HN ")) 3.700 1.700 1.700 peak 3020 weight 0.10000E+01 volume 0.32460E+05 ppm1 1.339 ppm2 8.523 OR { 3020} (( segid " " and resid "5 " and name "HB2 ") OR ( segid " " and resid "5 " and name "HB3 ") OR ( segid " " and resid "5 " and name "HB1 ")) (( segid " " and resid "7 " and name "HN ")) ASSI { 3021} (( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "9 " and name "HN ")) 3.700 1.700 1.700 peak 3021 weight 0.10000E+01 volume 0.32660E+05 ppm1 1.730 ppm2 8.248 OR { 3021} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "63 " and name "HN ")) ASSI { 3024} (( segid " " and resid "75 " and name "HG22") OR ( segid " " and resid "75 " and name "HG23") OR ( segid " " and resid "75 " and name "HG21")) (( segid " " and resid "74 " and name "HN ")) 5.300 3.500 1.700 peak 3024 weight 0.10000E+01 volume 0.36010E+04 ppm1 0.952 ppm2 8.464 OR { 3024} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "74 " and name "HN ")) OR { 3024} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "72 " and name "HN ")) OR { 3024} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "72 " and name "HN ")) ASSI { 3030} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "15 " and name "HN ")) 4.300 2.300 2.300 peak 3030 weight 0.10000E+01 volume 0.13710E+05 ppm1 0.485 ppm2 8.553 OR { 3030} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "56 " and name "HN ")) OR { 3030} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "56 " and name "HN ")) ASSI { 3032} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "56 " and name "HN ")) 4.400 2.400 2.400 peak 3032 weight 0.10000E+01 volume 0.11190E+05 ppm1 0.425 ppm2 8.556 OR { 3032} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "15 " and name "HN ")) ASSI { 3034} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "19 " and name "HN ")) 4.900 3.000 2.100 peak 3034 weight 0.10000E+01 volume 0.63690E+04 ppm1 0.417 ppm2 8.219 OR { 3034} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "19 " and name "HN ")) ASSI { 3044} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "22 " and name "HN ")) 4.100 2.100 2.100 peak 3044 weight 0.10000E+01 volume 0.17470E+05 ppm1 0.462 ppm2 7.923 OR { 3044} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "49 " and name "HN ")) OR { 3044} (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) (( segid " " and resid "21 " and name "HN ")) ASSI { 3051} (( segid " " and resid "22 " and name "HG2 ")) (( segid " " and resid "23 " and name "HN ")) 4.000 2.000 2.000 peak 3051 weight 0.10000E+01 volume 0.19870E+05 ppm1 0.646 ppm2 8.312 OR { 3051} (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) (( segid " " and resid "23 " and name "HN ")) ASSI { 3055} (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) (( segid " " and resid "71 " and name "HN ")) 5.900 4.400 1.100 peak 3055 weight 0.10000E+01 volume 0.19780E+04 ppm1 0.962 ppm2 8.439 OR { 3055} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "71 " and name "HN ")) OR { 3055} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "71 " and name "HN ")) ASSI { 3056} (( segid " " and resid "12 " and name "HG2 ")) (( segid " " and resid "9 " and name "HN ")) 4.400 2.400 2.400 peak 3056 weight 0.10000E+01 volume 0.11990E+05 ppm1 1.513 ppm2 8.249 OR { 3056} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 3057} (( segid " " and resid "59 " and name "HG2 ")) (( segid " " and resid "63 " and name "HN ")) 3.200 1.300 1.300 peak 3057 weight 0.10000E+01 volume 0.75690E+05 ppm1 1.582 ppm2 8.250 OR { 3057} (( segid " " and resid "59 " and name "HG3 ")) (( segid " " and resid "63 " and name "HN ")) OR { 3057} (( segid " " and resid "12 " and name "HD3 ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 3060} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "55 " and name "HN ")) 3.200 1.300 1.300 peak 3060 weight 0.10000E+01 volume 0.71330E+05 ppm1 0.435 ppm2 8.122 OR { 3060} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "55 " and name "HN ")) OR { 3060} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "30 " and name "HN ")) ASSI { 3061} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "30 " and name "HN ")) 2.800 1.000 1.000 peak 3061 weight 0.10000E+01 volume 0.16230E+06 ppm1 0.511 ppm2 8.136 OR { 3061} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "33 " and name "HN ")) ASSI { 3062} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "30 " and name "HN ")) 6.000 6.000 1.000 peak 3062 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.963 ppm2 8.121 OR { 3062} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "55 " and name "HN ")) ASSI { 3065} (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) (( segid " " and resid "32 " and name "HN ")) 4.000 2.000 2.000 peak 3065 weight 0.10000E+01 volume 0.21490E+05 ppm1 0.513 ppm2 7.762 OR { 3065} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "32 " and name "HN ")) OR { 3065} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "16 " and name "HN ")) ASSI { 3067} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "46 " and name "HN ")) 4.100 2.100 2.100 peak 3067 weight 0.10000E+01 volume 0.17540E+05 ppm1 0.725 ppm2 7.849 OR { 3067} (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) (( segid " " and resid "46 " and name "HN ")) OR { 3067} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "46 " and name "HN ")) ASSI { 3071} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "31 " and name "HN ")) 6.000 6.000 1.000 peak 3071 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.795 ppm2 7.677 OR { 3071} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "17 " and name "HN ")) ASSI { 3072} (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) (( segid " " and resid "40 " and name "HD21")) 5.200 3.400 1.800 peak 3072 weight 0.10000E+01 volume 0.41220E+04 ppm1 0.703 ppm2 7.677 OR { 3072} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "17 " and name "HN ")) OR { 3072} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "31 " and name "HN ")) OR { 3072} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "17 " and name "HN ")) OR { 3072} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "31 " and name "HN ")) OR { 3072} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "31 " and name "HN ")) ASSI { 3074} (( segid " " and resid "15 " and name "HG3 ")) (( segid " " and resid "16 " and name "HN ")) 4.700 2.800 2.300 peak 3074 weight 0.10000E+01 volume 0.73280E+04 ppm1 0.937 ppm2 7.776 OR { 3074} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "16 " and name "HN ")) OR { 3074} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "28 " and name "HN ")) ASSI { 3075} (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) (( segid " " and resid "32 " and name "HN ")) 4.900 3.000 2.100 peak 3075 weight 0.10000E+01 volume 0.57910E+04 ppm1 0.803 ppm2 7.760 OR { 3075} (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) (( segid " " and resid "32 " and name "HN ")) ASSI { 3079} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.100 1.200 1.200 peak 3079 weight 0.10000E+01 volume 0.10280E+06 ppm1 0.957 ppm2 7.517 OR { 3079} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) OR { 3079} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) OR { 3079} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "18 " and name "HN ")) OR { 3079} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "18 " and name "HN ")) ASSI { 3081} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.300 1.400 1.400 peak 3081 weight 0.10000E+01 volume 0.65110E+05 ppm1 1.099 ppm2 7.511 OR { 3081} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "7 " and name "HE21")) ASSI { 3086} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "51 " and name "HN ")) 3.300 1.400 1.400 peak 3086 weight 0.10000E+01 volume 0.60420E+05 ppm1 0.457 ppm2 7.649 OR { 3086} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "48 " and name "HN ")) OR { 3086} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "51 " and name "HN ")) ASSI { 3101} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 4.500 2.500 2.500 peak 3101 weight 0.10000E+01 volume 0.10230E+05 ppm1 0.413 ppm2 7.422 OR { 3101} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) ASSI { 3105} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "23 " and name "HZ ")) 4.100 2.100 2.100 peak 3105 weight 0.10000E+01 volume 0.18060E+05 ppm1 0.705 ppm2 7.346 OR { 3105} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "23 " and name "HZ ")) OR { 3105} (( segid " " and resid "52 " and name "HG3 ")) (( segid " " and resid "53 " and name "HZ ")) ASSI { 3112} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "48 " and name "HN ")) 5.200 3.400 1.800 peak 3112 weight 0.10000E+01 volume 0.43310E+04 ppm1 0.937 ppm2 7.651 OR { 3112} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "38 " and name "HN ")) OR { 3112} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "51 " and name "HN ")) ASSI { 3114} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "31 " and name "HN ")) 5.400 3.600 1.600 peak 3114 weight 0.10000E+01 volume 0.32750E+04 ppm1 0.935 ppm2 7.679 OR { 3114} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "31 " and name "HN ")) ASSI { 3115} (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) (( segid " " and resid "31 " and name "HN ")) 5.200 3.400 1.800 peak 3115 weight 0.10000E+01 volume 0.43870E+04 ppm1 0.909 ppm2 7.679 OR { 3115} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "31 " and name "HN ")) ASSI { 3116} (( segid " " and resid "62 " and name "HD2 ")) (( segid " " and resid "60 " and name "HD21")) 4.000 2.000 2.000 peak 3116 weight 0.10000E+01 volume 0.20110E+05 ppm1 1.400 ppm2 7.846 OR { 3116} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "46 " and name "HN ")) ASSI { 3119} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "60 " and name "HD21")) 6.000 6.000 1.000 peak 3119 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.856 ppm2 7.840 OR { 3119} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "46 " and name "HN ")) ASSI { 3120} (( segid " " and resid "64 " and name "HG2 ")) (( segid " " and resid "60 " and name "HD21")) 3.800 1.800 1.800 peak 3120 weight 0.10000E+01 volume 0.29200E+05 ppm1 2.158 ppm2 7.843 OR { 3120} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "46 " and name "HN ")) ASSI { 3121} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "16 " and name "HN ")) 3.500 1.500 1.500 peak 3121 weight 0.10000E+01 volume 0.42180E+05 ppm1 2.019 ppm2 7.763 OR { 3121} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "32 " and name "HN ")) ASSI { 3130} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.300 1.400 1.400 peak 3130 weight 0.10000E+01 volume 0.68390E+05 ppm1 1.467 ppm2 7.517 OR { 3130} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) ASSI { 3131} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.200 1.300 1.300 peak 3131 weight 0.10000E+01 volume 0.75200E+05 ppm1 1.528 ppm2 7.516 OR { 3131} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) OR { 3131} (( segid " " and resid "52 " and name "HB3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) OR { 3131} (( segid " " and resid "16 " and name "HB2 ") OR ( segid " " and resid "16 " and name "HB3 ") OR ( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "18 " and name "HN ")) ASSI { 3139} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "18 " and name "HN ")) 3.800 1.800 1.800 peak 3139 weight 0.10000E+01 volume 0.25610E+05 ppm1 2.609 ppm2 7.516 OR { 3139} (( segid " " and resid "38 " and name "HB3 ")) (( segid " " and resid "7 " and name "HE21")) OR { 3139} (( segid " " and resid "67 " and name "HB3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) ASSI { 3147} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "31 " and name "HN ")) 4.200 2.200 2.200 peak 3147 weight 0.10000E+01 volume 0.14830E+05 ppm1 3.149 ppm2 7.678 OR { 3147} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "17 " and name "HN ")) ASSI { 3149} (( segid " " and resid "14 " and name "HB2 ")) (( segid " " and resid "53 " and name "HZ ")) 4.500 2.500 2.500 peak 3149 weight 0.10000E+01 volume 0.94860E+04 ppm1 3.147 ppm2 7.348 OR { 3149} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "23 " and name "HZ ")) ASSI { 3150} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) 3.900 1.900 1.900 peak 3150 weight 0.10000E+01 volume 0.22880E+05 ppm1 3.433 ppm2 7.662 OR { 3150} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "17 " and name "HN ")) ASSI { 3155} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "20 " and name "HN ")) 3.100 1.200 1.200 peak 3155 weight 0.10000E+01 volume 0.97850E+05 ppm1 3.971 ppm2 7.420 OR { 3155} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) OR { 3155} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "62 " and name "HN ")) ASSI { 3157} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 4.200 2.200 2.200 peak 3157 weight 0.10000E+01 volume 0.15290E+05 ppm1 3.881 ppm2 7.517 OR { 3157} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) ASSI { 3158} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) 4.100 2.100 2.100 peak 3158 weight 0.10000E+01 volume 0.17860E+05 ppm1 3.799 ppm2 7.648 OR { 3158} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) ASSI { 3166} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) 3.200 1.300 1.300 peak 3166 weight 0.10000E+01 volume 0.83940E+05 ppm1 4.130 ppm2 7.456 OR { 3166} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "38 " and name "HD1 ") OR ( segid " " and resid "38 " and name "HD2 ")) ASSI { 3169} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "46 " and name "HN ")) 4.200 2.200 2.200 peak 3169 weight 0.10000E+01 volume 0.14690E+05 ppm1 4.072 ppm2 7.851 OR { 3169} (( segid " " and resid "47 " and name "HB3 ")) (( segid " " and resid "46 " and name "HN ")) OR { 3169} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "60 " and name "HD21")) ASSI { 3178} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.400 2.400 2.400 peak 3178 weight 0.10000E+01 volume 0.10840E+05 ppm1 0.947 ppm2 6.592 OR { 3178} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) ASSI { 3182} (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.800 1.000 1.000 peak 3182 weight 0.10000E+01 volume 0.18050E+06 ppm1 0.925 ppm2 6.794 OR { 3182} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) OR { 3182} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3188} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 2.300 0.700 0.700 peak 3188 weight 0.10000E+01 volume 0.59670E+06 ppm1 0.438 ppm2 6.843 OR { 3188} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) ASSI { 3193} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) 2.100 0.600 0.600 peak 3193 weight 0.10000E+01 volume 0.84480E+06 ppm1 0.435 ppm2 6.959 OR { 3193} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "14 " and name "HZ ")) OR { 3193} (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) ASSI { 3194} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) 3.100 1.200 1.200 peak 3194 weight 0.10000E+01 volume 0.97360E+05 ppm1 0.513 ppm2 6.957 OR { 3194} (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) (( segid " " and resid "14 " and name "HZ ")) ASSI { 3197} (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) 2.800 1.000 1.000 peak 3197 weight 0.10000E+01 volume 0.17020E+06 ppm1 0.484 ppm2 6.961 OR { 3197} (( segid " " and resid "50 " and name "HD22") OR ( segid " " and resid "50 " and name "HD23") OR ( segid " " and resid "50 " and name "HD21")) (( segid " " and resid "14 " and name "HZ ")) OR { 3197} (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) ASSI { 3200} (( segid " " and resid "29 " and name "HG13")) (( segid " " and resid "14 " and name "HZ ")) 3.500 1.500 1.500 peak 3200 weight 0.10000E+01 volume 0.47190E+05 ppm1 0.702 ppm2 6.964 OR { 3200} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "14 " and name "HZ ")) OR { 3200} (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) (( segid " " and resid "14 " and name "HZ ")) ASSI { 3207} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "43 " and name "HE22")) 5.100 3.300 1.900 peak 3207 weight 0.10000E+01 volume 0.47860E+04 ppm1 0.841 ppm2 6.909 OR { 3207} (( segid " " and resid "30 " and name "HG12") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "26 " and name "HE21")) ASSI { 3211} (( segid " " and resid "15 " and name "HG2 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 4.200 2.200 2.200 peak 3211 weight 0.10000E+01 volume 0.15870E+05 ppm1 0.952 ppm2 7.227 OR { 3211} (( segid " " and resid "15 " and name "HG3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) OR { 3211} (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) OR { 3211} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) ASSI { 3223} (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 4.800 2.900 2.200 peak 3223 weight 0.10000E+01 volume 0.69860E+04 ppm1 0.956 ppm2 6.841 OR { 3223} (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) OR { 3223} (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) ASSI { 3231} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 3.300 1.400 1.400 peak 3231 weight 0.10000E+01 volume 0.68480E+05 ppm1 1.391 ppm2 7.278 OR { 3231} (( segid " " and resid "22 " and name "HD3 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) ASSI { 3240} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.300 1.400 1.400 peak 3240 weight 0.10000E+01 volume 0.62330E+05 ppm1 1.407 ppm2 7.017 OR { 3240} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) OR { 3240} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) ASSI { 3241} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.200 1.300 1.300 peak 3241 weight 0.10000E+01 volume 0.80570E+05 ppm1 1.459 ppm2 7.014 OR { 3241} (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) ASSI { 3242} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "14 " and name "HZ ")) 3.300 1.400 1.400 peak 3242 weight 0.10000E+01 volume 0.70000E+05 ppm1 1.407 ppm2 6.959 OR { 3242} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "36 " and name "HE22")) ASSI { 3251} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.100 2.100 2.100 peak 3251 weight 0.10000E+01 volume 0.17630E+05 ppm1 1.098 ppm2 6.793 OR { 3251} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3254} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 2.900 2.900 4.100 peak 3254 weight 0.10000E+01 volume 0.12820E+06 ppm1 1.407 ppm2 6.792 OR { 3254} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) OR { 3254} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3260} (( segid " " and resid "10 " and name "HB2 ")) (( segid " " and resid "7 " and name "HE22")) 4.200 2.200 2.200 peak 3260 weight 0.10000E+01 volume 0.15390E+05 ppm1 1.823 ppm2 6.836 OR { 3260} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) ASSI { 3267} (( segid " " and resid "33 " and name "HG ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.000 2.000 2.000 peak 3267 weight 0.10000E+01 volume 0.19090E+05 ppm1 1.746 ppm2 6.796 OR { 3267} (( segid " " and resid "15 " and name "HB3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3268} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.300 2.300 2.300 peak 3268 weight 0.10000E+01 volume 0.14060E+05 ppm1 2.049 ppm2 6.794 OR { 3268} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) OR { 3268} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3269} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "42 " and name "HN ")) 4.700 2.800 2.300 peak 3269 weight 0.10000E+01 volume 0.77230E+04 ppm1 2.056 ppm2 6.763 OR { 3269} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "42 " and name "HN ")) ASSI { 3271} (( segid " " and resid "15 " and name "HD3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) 3.000 1.100 1.100 peak 3271 weight 0.10000E+01 volume 0.10730E+06 ppm1 1.523 ppm2 7.224 OR { 3271} (( segid " " and resid "15 " and name "HD2 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) OR { 3271} (( segid " " and resid "52 " and name "HB3 ")) (( segid " " and resid "53 " and name "HE1 ") OR ( segid " " and resid "53 " and name "HE2 ")) ASSI { 3274} (( segid " " and resid "12 " and name "HB3 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 6.000 6.000 1.000 peak 3274 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.899 ppm2 7.260 OR { 3274} (( segid " " and resid "12 " and name "HB2 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) OR { 3274} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "29 " and name "HN ")) ASSI { 3277} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "42 " and name "HN ")) 3.400 1.400 1.400 peak 3277 weight 0.10000E+01 volume 0.57820E+05 ppm1 1.432 ppm2 6.764 OR { 3277} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "42 " and name "HN ")) ASSI { 3280} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "29 " and name "HN ")) 4.600 2.600 2.400 peak 3280 weight 0.10000E+01 volume 0.90860E+04 ppm1 2.064 ppm2 7.257 OR { 3280} (( segid " " and resid "46 " and name "HB ")) (( segid " " and resid "29 " and name "HN ")) ASSI { 3289} (( segid " " and resid "26 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 3.800 1.800 1.800 peak 3289 weight 0.10000E+01 volume 0.29210E+05 ppm1 1.907 ppm2 6.593 OR { 3289} (( segid " " and resid "50 " and name "HG ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) ASSI { 3300} (( segid " " and resid "22 " and name "HE2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) 4.100 2.100 2.100 peak 3300 weight 0.10000E+01 volume 0.17310E+05 ppm1 2.706 ppm2 7.279 OR { 3300} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) OR { 3300} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "23 " and name "HD1 ") OR ( segid " " and resid "23 " and name "HD2 ")) ASSI { 3303} (( segid " " and resid "53 " and name "HB3 ")) (( segid " " and resid "14 " and name "HZ ")) 4.200 2.200 2.200 peak 3303 weight 0.10000E+01 volume 0.15210E+05 ppm1 2.873 ppm2 6.965 OR { 3303} (( segid " " and resid "14 " and name "HB3 ")) (( segid " " and resid "14 " and name "HZ ")) ASSI { 3308} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) 3.400 1.400 1.400 peak 3308 weight 0.10000E+01 volume 0.51530E+05 ppm1 4.128 ppm2 7.257 OR { 3308} (( segid " " and resid "8 " and name "HA ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) ASSI { 3310} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "29 " and name "HN ")) 3.800 1.800 1.800 peak 3310 weight 0.10000E+01 volume 0.28640E+05 ppm1 4.336 ppm2 7.257 OR { 3310} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "59 " and name "HE ")) ASSI { 3311} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "36 " and name "HE21")) 3.700 1.700 1.700 peak 3311 weight 0.10000E+01 volume 0.34080E+05 ppm1 4.211 ppm2 7.311 OR { 3311} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "36 " and name "HE21")) ASSI { 3312} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "36 " and name "HE22")) 3.900 1.900 1.900 peak 3312 weight 0.10000E+01 volume 0.21970E+05 ppm1 4.201 ppm2 6.948 OR { 3312} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "36 " and name "HE22")) ASSI { 3318} (( segid " " and resid "47 " and name "HB3 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) 4.900 3.000 2.100 peak 3318 weight 0.10000E+01 volume 0.57320E+04 ppm1 4.079 ppm2 6.591 OR { 3318} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) OR { 3318} (( segid " " and resid "27 " and name "HA1 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) OR { 3318} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) OR { 3318} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "67 " and name "HE1 ") OR ( segid " " and resid "67 " and name "HE2 ")) ASSI { 3326} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) 3.800 1.800 1.800 peak 3326 weight 0.10000E+01 volume 0.26820E+05 ppm1 4.582 ppm2 6.843 OR { 3326} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "67 " and name "HD1 ") OR ( segid " " and resid "67 " and name "HD2 ")) ASSI { 3328} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "40 " and name "HD22")) 4.400 2.400 2.400 peak 3328 weight 0.10000E+01 volume 0.12240E+05 ppm1 4.140 ppm2 6.857 OR { 3328} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "40 " and name "HD22")) ASSI { 3344} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) 4.400 2.400 2.400 peak 3344 weight 0.10000E+01 volume 0.10840E+05 ppm1 4.010 ppm2 6.793 OR { 3344} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "14 " and name "HD1 ") OR ( segid " " and resid "14 " and name "HD2 ")) ASSI { 3346} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 4.400 2.400 2.400 peak 3346 weight 0.10000E+01 volume 0.11290E+05 ppm1 3.795 ppm2 7.016 OR { 3346} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) ASSI { 3347} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "14 " and name "HZ ")) 4.600 2.600 2.400 peak 3347 weight 0.10000E+01 volume 0.85930E+04 ppm1 3.808 ppm2 6.963 OR { 3347} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "14 " and name "HZ ")) ASSI { 3348} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "26 " and name "HE21")) 3.300 3.300 3.700 peak 3348 weight 0.10000E+01 volume 0.62060E+05 ppm1 4.116 ppm2 6.903 OR { 3348} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "26 " and name "HE21")) ASSI { 3350} (( segid " " and resid "62 " and name "HE2 ")) (( segid " " and resid "60 " and name "HD21")) 4.900 3.000 2.100 peak 3350 weight 0.10000E+01 volume 0.60230E+04 ppm1 2.954 ppm2 7.837 OR { 3350} (( segid " " and resid "62 " and name "HE3 ")) (( segid " " and resid "60 " and name "HD21")) OR { 3350} (( segid " " and resid "45 " and name "HE2 ")) (( segid " " and resid "46 " and name "HN ")) ASSI { 3351} (( segid " " and resid "20 " and name "HG3 ")) (( segid " " and resid "21 " and name "HN ")) 5.100 3.300 1.900 peak 3351 weight 0.10000E+01 volume 0.46090E+04 ppm1 2.810 ppm2 7.913 OR { 3351} (( segid " " and resid "20 " and name "HG2 ")) (( segid " " and resid "21 " and name "HN ")) OR { 3351} (( segid " " and resid "20 " and name "HG2 ")) (( segid " " and resid "22 " and name "HN ")) OR { 3351} (( segid " " and resid "20 " and name "HG3 ")) (( segid " " and resid "22 " and name "HN ")) ASSI { 3355} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) 2.900 1.100 1.100 peak 3355 weight 0.10000E+01 volume 0.14800E+06 ppm1 4.079 ppm2 8.704 OR { 3355} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "50 " and name "HN ")) OR { 3355} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) ASSI { 3358} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "40 " and name "HN ")) 3.600 1.600 1.600 peak 3358 weight 0.10000E+01 volume 0.35600E+05 ppm1 4.147 ppm2 8.775 OR { 3358} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "40 " and name "HN ")) ASSI { 3360} (( segid " " and resid "52 " and name "HE2 ")) (( segid " " and resid "53 " and name "HZ ")) 3.100 1.200 1.200 peak 3360 weight 0.10000E+01 volume 0.91930E+05 ppm1 2.793 ppm2 7.347 OR { 3360} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "23 " and name "HZ ")) ASSI { 3362} (( segid " " and resid "50 " and name "HB3 ")) (( segid " " and resid "49 " and name "HN ")) 3.500 1.500 1.500 peak 3362 weight 0.10000E+01 volume 0.44790E+05 ppm1 1.409 ppm2 7.933 OR { 3362} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "49 " and name "HN ")) OR { 3362} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "49 " and name "HN ")) ASSI { 3368} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 4.000 2.000 2.000 peak 3368 weight 0.10000E+01 volume 0.19580E+05 ppm1 1.738 ppm2 7.529 OR { 3368} (( segid " " and resid "15 " and name "HB3 ")) (( segid " " and resid "18 " and name "HN ")) OR { 3368} (( segid " " and resid "19 " and name "HD3 ")) (( segid " " and resid "18 " and name "HN ")) OR { 3368} (( segid " " and resid "15 " and name "HB3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) OR { 3368} (( segid " " and resid "19 " and name "HD2 ")) (( segid " " and resid "18 " and name "HN ")) ASSI { 3372} (( segid " " and resid "52 " and name "HB3 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) 3.700 1.700 1.700 peak 3372 weight 0.10000E+01 volume 0.33030E+05 ppm1 1.515 ppm2 7.014 OR { 3372} (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "14 " and name "HE1 ") OR ( segid " " and resid "14 " and name "HE2 ")) ASSI { 3403} (( segid " " and resid "49 " and name "HG3 ")) (( segid " " and resid "53 " and name "HD1 ") OR ( segid " " and resid "53 " and name "HD2 ")) 3.600 1.600 1.600 peak 3403 weight 0.10000E+01 volume 0.38450E+05 ppm1 2.034 ppm2 7.529 OR { 3403} (( segid " " and resid "17 " and name "HG ")) (( segid " " and resid "18 " and name "HN ")) ASSI { 3406} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) 3.300 1.400 1.400 peak 3406 weight 0.10000E+01 volume 0.59840E+05 ppm1 4.279 ppm2 7.921 OR { 3406} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) ASSI { 3419} (( segid " " and resid "43 " and name "HB3 ")) (( segid " " and resid "43 " and name "HE22")) 2.500 0.800 0.800 peak 3419 weight 0.10000E+01 volume 0.31650E+06 ppm1 2.093 ppm2 6.906 OR { 3419} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "26 " and name "HE21")) ASSI { 2884} (( segid " " and resid "12 " and name "HG3 ")) (( segid " " and resid "11 " and name "HA ")) 2.900 2.900 4.100 peak 2884 weight 0.10000E+01 volume 0.10250E+05 ppm1 1.410 ppm2 3.358 OR { 2884} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "11 " and name "HA ")) ASSI { 2906} (( segid " " and resid "45 " and name "HG3 ")) (( segid " " and resid "14 " and name "HB3 ")) 3.000 3.000 4.000 peak 2906 weight 0.10000E+01 volume 0.86160E+04 ppm1 1.407 ppm2 2.857 OR { 2906} (( segid " " and resid "32 " and name "HB2 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB1 ")) (( segid " " and resid "14 " and name "HB3 ")) OR { 2906} (( segid " " and resid "52 " and name "HD2 ")) (( segid " " and resid "14 " and name "HB3 ")) ASSI { 3299} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 3.200 3.200 3.800 peak 3299 weight 0.10000E+01 volume 0.50040E+04 ppm1 1.291 ppm2 7.418 OR { 3299} (( segid " " and resid "18 " and name "HG ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 3307} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 4.200 2.200 2.200 peak 3307 weight 0.10000E+01 volume 0.10880E+04 ppm1 0.421 ppm2 7.419 OR { 3307} (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) (( segid " " and resid "20 " and name "HN ")) ASSI { 3361} (( segid " " and resid "15 " and name "HE2 ")) (( segid " " and resid "15 " and name "HA ")) 6.000 6.000 1.000 peak 3361 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.567 ppm2 3.437 OR { 3361} (( segid " " and resid "49 " and name "HG2 ")) (( segid " " and resid "46 " and name "HA ")) ASSI { 3368} (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) (( segid " " and resid "7 " and name "HA ")) 6.100 4.700 0.900 peak 3368 weight 0.10000E+01 volume 0.11330E+03 ppm1 1.098 ppm2 4.123 OR { 3368} (( segid " " and resid "10 " and name "HG ")) (( segid " " and resid "7 " and name "HA ")) ASSI { 3374} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "65 " and name "HE2 ") OR ( segid " " and resid "65 " and name "HE3 ") OR ( segid " " and resid "65 " and name "HE1 ")) 5.900 4.400 1.100 peak 3374 weight 0.10000E+01 volume 0.13320E+03 ppm1 4.890 ppm2 1.851 OR { 3374} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "64 " and name "HB2 ")) ASSI { 3376} (( segid " " and resid "60 " and name "HB3 ")) (( segid " " and resid "61 " and name "HA ")) 7.000 6.100 0.000 peak 3376 weight 0.10000E+01 volume 0.43700E+02 ppm1 2.804 ppm2 4.168 OR { 3376} (( segid " " and resid "36 " and name "HG2 ")) (( segid " " and resid "31 " and name "HA ")) ASSI { 3383} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "20 " and name "HN ")) 7.000 6.100 0.000 peak 3383 weight 0.10000E+01 volume 0.32900E+02 ppm1 3.985 ppm2 7.417 OR { 3383} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) OR { 3383} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "62 " and name "HN ")) ASSI { 3384} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "23 " and name "HE1 ") OR ( segid " " and resid "23 " and name "HE2 ")) 6.200 4.800 0.800 peak 3384 weight 0.10000E+01 volume 0.99600E+02 ppm1 2.487 ppm2 7.419 OR { 3384} (( segid " " and resid "63 " and name "HB2 ")) (( segid " " and resid "62 " and name "HN ")) ASSI { 3388} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "29 " and name "HN ")) 3.900 1.900 1.900 peak 3388 weight 0.10000E+01 volume 0.17690E+04 ppm1 2.498 ppm2 7.258 OR { 3388} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "38 " and name "HE1 ") OR ( segid " " and resid "38 " and name "HE2 ")) ASSI { 10} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "2 " and name "HA ")) 2.400 0.700 0.700 peak 10 weight 0.10000E+01 volume 0.63680E+05 ppm1 8.657 ppm2 4.426 OR { 10} (( segid " " and resid "3 " and name "HN ")) (( segid " " and resid "3 " and name "HA ")) ASSI { 16} (( segid " " and resid "4 " and name "HN ")) (( segid " " and resid "3 " and name "HB3 ")) 3.000 1.100 1.100 peak 16 weight 0.10000E+01 volume 0.17370E+05 ppm1 8.514 ppm2 3.880 OR { 16} (( segid " " and resid "4 " and name "HN ")) (( segid " " and resid "4 " and name "HB3 ")) ASSI { 21} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "5 " and name "HA ")) 2.300 0.700 0.700 peak 21 weight 0.10000E+01 volume 0.10360E+06 ppm1 8.357 ppm2 4.341 OR { 21} (( segid " " and resid "6 " and name "HN ")) (( segid " " and resid "6 " and name "HA ")) ASSI { 33} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "7 " and name "HA ")) 2.400 0.700 0.700 peak 33 weight 0.10000E+01 volume 0.67450E+05 ppm1 8.831 ppm2 4.149 OR { 33} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HA ")) ASSI { 45} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) 3.600 1.600 1.600 peak 45 weight 0.10000E+01 volume 0.66760E+04 ppm1 7.873 ppm2 1.095 OR { 45} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "10 " and name "HG ")) ASSI { 56} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HG2 ")) 3.200 1.300 1.300 peak 56 weight 0.10000E+01 volume 0.11450E+05 ppm1 7.724 ppm2 1.518 OR { 56} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "13 " and name "HB2 ") OR ( segid " " and resid "13 " and name "HB3 ") OR ( segid " " and resid "13 " and name "HB1 ")) ASSI { 91} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "17 " and name "HB3 ")) 2.800 1.000 1.000 peak 91 weight 0.10000E+01 volume 0.29640E+05 ppm1 7.515 ppm2 1.195 OR { 91} (( segid " " and resid "18 " and name "HN ")) (( segid " " and resid "18 " and name "HB3 ")) ASSI { 105} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "21 " and name "HA ")) 2.200 0.600 0.600 peak 105 weight 0.10000E+01 volume 0.12220E+06 ppm1 7.907 ppm2 3.977 OR { 105} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "21 " and name "HA ")) ASSI { 106} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "20 " and name "HB2 ")) 2.800 1.000 1.000 peak 106 weight 0.10000E+01 volume 0.28850E+05 ppm1 7.907 ppm2 2.317 OR { 106} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "21 " and name "HG3 ")) ASSI { 107} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "21 " and name "HB2 ")) 3.800 1.800 1.800 peak 107 weight 0.10000E+01 volume 0.43750E+04 ppm1 7.906 ppm2 2.229 OR { 107} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "21 " and name "HB2 ")) ASSI { 109} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "21 " and name "HB3 ")) 3.800 1.800 1.800 peak 109 weight 0.10000E+01 volume 0.48020E+04 ppm1 7.906 ppm2 1.976 OR { 109} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "21 " and name "HB3 ")) ASSI { 114} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "22 " and name "HG2 ")) 3.000 1.100 1.100 peak 114 weight 0.10000E+01 volume 0.18460E+05 ppm1 7.923 ppm2 0.633 OR { 114} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "66 " and name "HG12") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG11")) ASSI { 129} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "25 " and name "HB3 ")) 3.000 1.100 1.100 peak 129 weight 0.10000E+01 volume 0.18990E+05 ppm1 8.008 ppm2 3.979 OR { 129} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "24 " and name "HB3 ")) ASSI { 158} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "33 " and name "HA ")) 2.500 0.800 0.800 peak 158 weight 0.10000E+01 volume 0.53560E+05 ppm1 8.125 ppm2 4.221 OR { 158} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "32 " and name "HA ")) ASSI { 160} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) 3.200 1.300 1.300 peak 160 weight 0.10000E+01 volume 0.11980E+05 ppm1 8.125 ppm2 0.563 OR { 160} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "33 " and name "HD22") OR ( segid " " and resid "33 " and name "HD23") OR ( segid " " and resid "33 " and name "HD21")) ASSI { 165} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "34 " and name "HA ")) 2.500 0.800 0.800 peak 165 weight 0.10000E+01 volume 0.59610E+05 ppm1 8.695 ppm2 4.150 OR { 165} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "31 " and name "HA ")) ASSI { 168} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "34 " and name "HG3 ")) 3.200 1.300 1.300 peak 168 weight 0.10000E+01 volume 0.12670E+05 ppm1 8.695 ppm2 2.496 OR { 168} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "35 " and name "HG2 ")) ASSI { 177} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "35 " and name "HG2 ")) 2.600 0.800 0.800 peak 177 weight 0.10000E+01 volume 0.40290E+05 ppm1 7.387 ppm2 2.488 OR { 177} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "36 " and name "HB2 ")) ASSI { 227} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "47 " and name "HB2 ")) 2.300 0.700 0.700 peak 227 weight 0.10000E+01 volume 0.10350E+06 ppm1 7.643 ppm2 4.093 OR { 227} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) OR { 227} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "37 " and name "HA1 ")) ASSI { 246} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "51 " and name "HA ")) 2.500 0.800 0.800 peak 246 weight 0.10000E+01 volume 0.58970E+05 ppm1 7.648 ppm2 4.089 OR { 246} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) ASSI { 288} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "59 " and name "HA ")) 2.400 0.700 0.700 peak 288 weight 0.10000E+01 volume 0.66870E+05 ppm1 8.733 ppm2 4.848 OR { 288} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) ASSI { 310} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HB3 ")) 3.000 1.100 1.100 peak 310 weight 0.10000E+01 volume 0.18230E+05 ppm1 8.006 ppm2 1.746 OR { 310} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "59 " and name "HB3 ")) ASSI { 346} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) 4.000 2.000 2.000 peak 346 weight 0.10000E+01 volume 0.31230E+04 ppm1 8.338 ppm2 0.942 OR { 346} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "69 " and name "HD22") OR ( segid " " and resid "69 " and name "HD23") OR ( segid " " and resid "69 " and name "HD21")) ASSI { 404} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HD12") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD11")) 3.100 1.200 1.200 peak 404 weight 0.10000E+01 volume 0.15130E+05 ppm1 7.244 ppm2 0.405 OR { 404} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) ASSI { 441} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "12 " and name "HN ")) 3.500 1.500 1.500 peak 441 weight 0.10000E+01 volume 0.76100E+04 ppm1 8.833 ppm2 7.738 OR { 441} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "16 " and name "HN ")) ASSI { 449} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "8 " and name "HA ")) 2.700 0.900 0.900 peak 449 weight 0.10000E+01 volume 0.32170E+05 ppm1 8.231 ppm2 4.156 OR { 449} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "7 " and name "HA ")) ASSI { 455} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "7 " and name "HB3 ")) 4.100 2.100 2.100 peak 455 weight 0.10000E+01 volume 0.29900E+04 ppm1 7.873 ppm2 2.122 OR { 455} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "11 " and name "HB ")) OR { 455} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "8 " and name "HB3 ")) ASSI { 456} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "7 " and name "HA ")) 3.300 1.400 1.400 peak 456 weight 0.10000E+01 volume 0.11120E+05 ppm1 7.873 ppm2 4.129 OR { 456} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "8 " and name "HA ")) ASSI { 460} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "9 " and name "HB2 ")) 3.900 1.900 1.900 peak 460 weight 0.10000E+01 volume 0.41020E+04 ppm1 8.005 ppm2 2.415 OR { 460} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "8 " and name "HG2 ")) OR { 460} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "8 " and name "HG3 ")) ASSI { 492} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "9 " and name "HB2 ")) 3.600 1.600 1.600 peak 492 weight 0.10000E+01 volume 0.59850E+04 ppm1 7.723 ppm2 2.391 OR { 492} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "9 " and name "HB3 ")) OR { 492} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "15 " and name "HE3 ")) ASSI { 497} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "11 " and name "HG12") OR ( segid " " and resid "11 " and name "HG13") OR ( segid " " and resid "11 " and name "HG11")) 4.400 2.400 2.400 peak 497 weight 0.10000E+01 volume 0.18160E+04 ppm1 8.170 ppm2 1.091 OR { 497} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "10 " and name "HG ")) ASSI { 530} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) 4.000 2.000 2.000 peak 530 weight 0.10000E+01 volume 0.32820E+04 ppm1 8.010 ppm2 0.493 OR { 530} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "66 " and name "HG22") OR ( segid " " and resid "66 " and name "HG23") OR ( segid " " and resid "66 " and name "HG21")) ASSI { 534} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "19 " and name "HA ")) 3.400 1.400 1.400 peak 534 weight 0.10000E+01 volume 0.80710E+04 ppm1 7.906 ppm2 4.275 OR { 534} (( segid " " and resid "21 " and name "HN ")) (( segid " " and resid "17 " and name "HA ")) ASSI { 600} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "26 " and name "HB3 ")) 3.800 1.800 1.800 peak 600 weight 0.10000E+01 volume 0.44450E+04 ppm1 7.770 ppm2 1.940 OR { 600} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "29 " and name "HB ")) ASSI { 602} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HB3 ")) 3.900 1.900 1.900 peak 602 weight 0.10000E+01 volume 0.40330E+04 ppm1 7.245 ppm2 2.399 OR { 602} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "23 " and name "HB3 ")) ASSI { 613} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "29 " and name "HG13")) 4.300 2.300 2.300 peak 613 weight 0.10000E+01 volume 0.20900E+04 ppm1 7.670 ppm2 0.686 OR { 613} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "29 " and name "HG12")) OR { 613} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) ASSI { 624} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "31 " and name "HN ")) 2.200 0.600 0.600 peak 624 weight 0.10000E+01 volume 0.12850E+06 ppm1 7.757 ppm2 7.666 OR { 624} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "17 " and name "HN ")) ASSI { 627} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "30 " and name "HB ")) 4.400 2.400 2.400 peak 627 weight 0.10000E+01 volume 0.18230E+04 ppm1 7.755 ppm2 2.251 OR { 627} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "35 " and name "HB2 ")) ASSI { 628} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "30 " and name "HG22") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG21")) 3.700 1.700 1.700 peak 628 weight 0.10000E+01 volume 0.50460E+04 ppm1 7.759 ppm2 0.778 OR { 628} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) OR { 628} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "17 " and name "HD12") OR ( segid " " and resid "17 " and name "HD13") OR ( segid " " and resid "17 " and name "HD11")) ASSI { 629} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "29 " and name "HG12")) 4.300 2.300 2.300 peak 629 weight 0.10000E+01 volume 0.22620E+04 ppm1 7.757 ppm2 0.689 OR { 629} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "29 " and name "HG13")) OR { 629} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "33 " and name "HD12") OR ( segid " " and resid "33 " and name "HD13") OR ( segid " " and resid "33 " and name "HD11")) ASSI { 630} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "17 " and name "HD22") OR ( segid " " and resid "17 " and name "HD23") OR ( segid " " and resid "17 " and name "HD21")) 3.700 1.700 1.700 peak 630 weight 0.10000E+01 volume 0.56940E+04 ppm1 7.757 ppm2 0.529 OR { 630} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "29 " and name "HG22") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG21")) ASSI { 636} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "34 " and name "HB3 ")) 3.500 1.500 1.500 peak 636 weight 0.10000E+01 volume 0.75220E+04 ppm1 8.345 ppm2 2.036 OR { 636} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "33 " and name "HB2 ")) ASSI { 653} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "34 " and name "HA ")) 2.600 0.800 0.800 peak 653 weight 0.10000E+01 volume 0.48830E+05 ppm1 7.632 ppm2 4.163 OR { 653} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) ASSI { 689} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "46 " and name "HB ")) 3.600 1.600 1.600 peak 689 weight 0.10000E+01 volume 0.64790E+04 ppm1 8.206 ppm2 2.065 OR { 689} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "43 " and name "HB3 ")) ASSI { 690} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 3.700 1.700 1.700 peak 690 weight 0.10000E+01 volume 0.55490E+04 ppm1 8.206 ppm2 0.913 OR { 690} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) ASSI { 691} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "41 " and name "HD12") OR ( segid " " and resid "41 " and name "HD13") OR ( segid " " and resid "41 " and name "HD11")) 4.500 2.500 2.500 peak 691 weight 0.10000E+01 volume 0.15290E+04 ppm1 8.206 ppm2 0.733 OR { 691} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "10 " and name "HD12") OR ( segid " " and resid "10 " and name "HD13") OR ( segid " " and resid "10 " and name "HD11")) ASSI { 724} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "39 " and name "HN ")) 3.500 1.500 1.500 peak 724 weight 0.10000E+01 volume 0.72900E+04 ppm1 7.632 ppm2 8.343 OR { 724} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "35 " and name "HN ")) ASSI { 737} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 3.400 1.400 1.400 peak 737 weight 0.10000E+01 volume 0.92900E+04 ppm1 8.693 ppm2 0.921 OR { 737} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "46 " and name "HG12") OR ( segid " " and resid "46 " and name "HG13") OR ( segid " " and resid "46 " and name "HG11")) ASSI { 743} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HG ")) 4.200 2.200 2.200 peak 743 weight 0.10000E+01 volume 0.24280E+04 ppm1 7.650 ppm2 1.890 OR { 743} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "48 " and name "HB3 ")) ASSI { 749} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "51 " and name "HA ")) 3.400 1.400 1.400 peak 749 weight 0.10000E+01 volume 0.94930E+04 ppm1 8.327 ppm2 4.114 OR { 749} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) ASSI { 757} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "55 " and name "HB2 ") OR ( segid " " and resid "55 " and name "HB3 ") OR ( segid " " and resid "55 " and name "HB1 ")) 3.700 1.700 1.700 peak 757 weight 0.10000E+01 volume 0.48850E+04 ppm1 7.714 ppm2 1.453 OR { 757} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "52 " and name "HD2 ")) ASSI { 766} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) 3.300 1.400 1.400 peak 766 weight 0.10000E+01 volume 0.96160E+04 ppm1 8.100 ppm2 0.457 OR { 766} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "18 " and name "HD12") OR ( segid " " and resid "18 " and name "HD13") OR ( segid " " and resid "18 " and name "HD11")) ASSI { 792} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "59 " and name "HA ")) 2.300 0.700 0.700 peak 792 weight 0.10000E+01 volume 0.96490E+05 ppm1 8.733 ppm2 4.884 OR { 792} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) ASSI { 804} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "61 " and name "HB2 ") OR ( segid " " and resid "61 " and name "HB3 ") OR ( segid " " and resid "61 " and name "HB1 ")) 4.300 2.300 2.300 peak 804 weight 0.10000E+01 volume 0.21790E+04 ppm1 8.242 ppm2 1.459 OR { 804} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "62 " and name "HG3 ")) OR { 804} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "62 " and name "HG2 ")) ASSI { 806} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "59 " and name "HA ")) 4.200 2.200 2.200 peak 806 weight 0.10000E+01 volume 0.24900E+04 ppm1 8.008 ppm2 4.871 OR { 806} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) ASSI { 808} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "59 " and name "HB3 ")) 3.000 1.100 1.100 peak 808 weight 0.10000E+01 volume 0.18660E+05 ppm1 8.516 ppm2 1.751 OR { 808} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HB3 ")) ASSI { 834} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "18 " and name "HD22") OR ( segid " " and resid "18 " and name "HD23") OR ( segid " " and resid "18 " and name "HD21")) 3.800 1.800 1.800 peak 834 weight 0.10000E+01 volume 0.44710E+04 ppm1 9.087 ppm2 0.430 OR { 834} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "50 " and name "HD12") OR ( segid " " and resid "50 " and name "HD13") OR ( segid " " and resid "50 " and name "HD11")) ASSI { 846} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "73 " and name "HD12") OR ( segid " " and resid "73 " and name "HD13") OR ( segid " " and resid "73 " and name "HD11")) 4.300 2.300 2.300 peak 846 weight 0.10000E+01 volume 0.21580E+04 ppm1 8.436 ppm2 0.962 OR { 846} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) OR { 846} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) ASSI { 848} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "73 " and name "HG ")) 4.300 2.300 2.300 peak 848 weight 0.10000E+01 volume 0.20630E+04 ppm1 8.435 ppm2 1.685 OR { 848} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "73 " and name "HB2 ")) OR { 848} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "69 " and name "HB2 ")) ASSI { 849} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "69 " and name "HG ")) 3.800 1.800 1.800 peak 849 weight 0.10000E+01 volume 0.41940E+04 ppm1 8.435 ppm2 1.535 OR { 849} (( segid " " and resid "71 " and name "HN ")) (( segid " " and resid "19 " and name "HG3 ")) ASSI { 857} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "74 " and name "HN ")) 2.900 1.100 1.100 peak 857 weight 0.10000E+01 volume 0.20880E+05 ppm1 8.338 ppm2 8.466 OR { 857} (( segid " " and resid "73 " and name "HN ")) (( segid " " and resid "72 " and name "HN ")) ASSI { 870} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "12 " and name "HA ")) 2.900 1.100 1.100 peak 870 weight 0.10000E+01 volume 0.23470E+05 ppm1 8.539 ppm2 3.883 OR { 870} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "14 " and name "HA ")) ASSI { 872} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HA ")) 2.600 0.800 0.800 peak 872 weight 0.10000E+01 volume 0.42210E+05 ppm1 7.414 ppm2 4.283 OR { 872} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "17 " and name "HA ")) ASSI { 878} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "41 " and name "HG22") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG21")) 3.500 1.500 1.500 peak 878 weight 0.10000E+01 volume 0.71130E+04 ppm1 7.673 ppm2 0.914 OR { 878} (( segid " " and resid "31 " and name "HN ")) (( segid " " and resid "46 " and name "HG22") OR ( segid " " and resid "46 " and name "HG23") OR ( segid " " and resid "46 " and name "HG21")) ASSI { 883} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "33 " and name "HA ")) 3.100 1.200 1.200 peak 883 weight 0.10000E+01 volume 0.14400E+05 ppm1 8.695 ppm2 4.223 OR { 883} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "32 " and name "HA ")) ASSI { 884} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "32 " and name "HN ")) 4.000 2.000 2.000 peak 884 weight 0.10000E+01 volume 0.35430E+04 ppm1 8.695 ppm2 7.740 OR { 884} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "37 " and name "HN ")) ASSI { 904} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "34 " and name "HE22")) 4.300 2.300 2.300 peak 904 weight 0.10000E+01 volume 0.21110E+04 ppm1 8.174 ppm2 6.752 OR { 904} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "42 " and name "HN ")) ASSI { 910} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "42 " and name "HD21")) 4.300 2.300 2.300 peak 910 weight 0.10000E+01 volume 0.20450E+04 ppm1 8.206 ppm2 7.631 OR { 910} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "48 " and name "HN ")) ASSI { 921} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 4.000 2.000 2.000 peak 921 weight 0.10000E+01 volume 0.31380E+04 ppm1 7.899 ppm2 3.997 OR { 921} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "50 " and name "HA ")) ASSI { 922} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) 2.900 1.100 1.100 peak 922 weight 0.10000E+01 volume 0.21400E+05 ppm1 8.695 ppm2 4.078 OR { 922} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "47 " and name "HB2 ")) OR { 922} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "51 " and name "HA ")) OR { 922} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "35 " and name "HA ")) ASSI { 933} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "69 " and name "HD12") OR ( segid " " and resid "69 " and name "HD13") OR ( segid " " and resid "69 " and name "HD11")) 3.400 1.400 1.400 peak 933 weight 0.10000E+01 volume 0.91310E+04 ppm1 8.103 ppm2 0.962 OR { 933} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "56 " and name "HG12") OR ( segid " " and resid "56 " and name "HG13") OR ( segid " " and resid "56 " and name "HG11")) ASSI { 935} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "61 " and name "HN ")) 4.100 2.100 2.100 peak 935 weight 0.10000E+01 volume 0.27650E+04 ppm1 8.732 ppm2 8.484 OR { 935} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 953} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "32 " and name "HN ")) 3.200 1.300 1.300 peak 953 weight 0.10000E+01 volume 0.12390E+05 ppm1 8.117 ppm2 7.758 OR { 953} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "28 " and name "HN "))
Contact the webmaster for help, if required. Friday, April 19, 2024 6:30:14 PM GMT (wattos1)