NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
2864 | 1cok | 4413 | cing | recoord | dress | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Unambiguous distance restraints # ASSI { 68} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 59 and name HG )) 2.400 2.400 2.100 peak 68 weight .10000E+01 volume .23810E+00 ppm1 1.992 ppm2 .927 ASSI { 493} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HG )) 1.800 .400 .400 peak 493 weight .10000E+01 volume .16985E+01 ppm1 .538 ppm2 1.742 ASSI { 666} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HG2 )) 2.800 1.000 1.000 peak 666 weight .10000E+01 volume .99950E-01 ppm1 1.854 ppm2 1.508 ASSI { 667} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HG1 )) 2.900 1.100 1.100 peak 667 weight .10000E+01 volume .78800E-01 ppm1 1.857 ppm2 1.384 ASSI { 669} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HG1 )) 2.800 1.000 1.000 peak 669 weight .10000E+01 volume .10488E+00 ppm1 1.790 ppm2 1.383 ASSI { 671} (( segid " " and resid 63 and name HD1 )) (( segid " " and resid 63 and name HG2 )) 2.300 .700 .700 peak 671 weight .10000E+01 volume .33643E+00 ppm1 1.615 ppm2 1.508 OR { 671} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HG2 )) ASSI { 672} (( segid " " and resid 63 and name HD1 )) (( segid " " and resid 63 and name HG1 )) 2.300 .700 .700 peak 672 weight .10000E+01 volume .32858E+00 ppm1 1.617 ppm2 1.377 OR { 672} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HG1 )) ASSI { 681} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HG1 )) 1.700 .400 .500 peak 681 weight .10000E+01 volume .22390E+01 ppm1 1.510 ppm2 1.380 ASSI { 697} (( segid " " and resid 7 and name HG )) ( segid " " and resid 7 and name HD1%) 2.700 .900 .900 peak 697 weight .10000E+01 volume .12929E+00 ppm1 .774 ppm2 .567 OR { 697} (( segid " " and resid 7 and name HG )) ( segid " " and resid 7 and name HD2%) ASSI { 716} ( segid " " and resid 7 and name HD2%) ( segid " " and resid 34 and name HD2%) 1.900 .500 .500 peak 716 weight .10000E+01 volume .10948E+01 ppm1 .582 ppm2 .433 ASSI { 717} ( segid " " and resid 7 and name HD2%) ( segid " " and resid 34 and name HD1%) 1.800 .400 .400 peak 717 weight .10000E+01 volume .15412E+01 ppm1 .582 ppm2 .167 ASSI { 837} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) 2.800 1.000 1.000 peak 837 weight .10000E+01 volume .10455E+00 ppm1 2.257 ppm2 1.306 OR { 837} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) ASSI { 845} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) 2.700 .900 .900 peak 845 weight .10000E+01 volume .13650E+00 ppm1 1.900 ppm2 1.300 ASSI { 850} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HG2 )) 2.500 .800 .800 peak 850 weight .10000E+01 volume .19131E+00 ppm1 1.724 ppm2 1.307 OR { 850} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HG1 )) ASSI { 852} (( segid " " and resid 34 and name HG )) ( segid " " and resid 34 and name HD2%) 2.500 .800 .800 peak 852 weight .10000E+01 volume .18602E+00 ppm1 1.556 ppm2 .434 ASSI { 853} (( segid " " and resid 34 and name HG )) ( segid " " and resid 34 and name HD1%) 2.600 .800 .800 peak 853 weight .10000E+01 volume .16218E+00 ppm1 1.554 ppm2 .173 ASSI { 857} (( segid " " and resid 34 and name HB1 )) ( segid " " and resid 34 and name HD2%) 2.900 1.100 1.100 peak 857 weight .10000E+01 volume .86230E-01 ppm1 1.374 ppm2 .438 ASSI { 880} (( segid " " and resid 7 and name HG )) ( segid " " and resid 34 and name HD2%) 2.600 .800 .800 peak 880 weight .10000E+01 volume .17127E+00 ppm1 .759 ppm2 .437 ASSI { 898} ( segid " " and resid 34 and name HD1%) ( segid " " and resid 28 and name HD2%) 2.100 .600 .600 peak 898 weight .10000E+01 volume .63618E+00 ppm1 .173 ppm2 .929 ASSI { 1004} ( segid " " and resid 34 and name HD2%) ( segid " " and resid 28 and name HD2%) 2.000 .500 .500 peak 1004 weight .10000E+01 volume .70723E+00 ppm1 .432 ppm2 .928 OR { 1004} ( segid " " and resid 34 and name HD2%) ( segid " " and resid 28 and name HD1%) ASSI { 1008} ( segid " " and resid 34 and name HD2%) ( segid " " and resid 34 and name HD1%) 1.600 .300 .600 peak 1008 weight .10000E+01 volume .25024E+01 ppm1 .432 ppm2 .168 ASSI { 1116} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 28 and name HD2%) 2.400 2.400 2.100 peak 1116 weight .10000E+01 volume .25130E+00 ppm1 1.635 ppm2 .919 ASSI { 1250} (( segid " " and resid 31 and name HG12)) ( segid " " and resid 28 and name HD2%) 1.800 1.800 2.700 peak 1250 weight .10000E+01 volume .12658E+01 ppm1 .830 ppm2 .923 OR { 1250} (( segid " " and resid 31 and name HG11)) ( segid " " and resid 28 and name HD2%) ASSI { 1401} (( segid " " and resid 53 and name HA )) ( segid " " and resid 42 and name HD2%) 2.900 2.900 1.600 peak 1401 weight .10000E+01 volume .86690E-01 ppm1 4.763 ppm2 1.090 ASSI { 1426} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 42 and name HD2%) 2.700 .900 .900 peak 1426 weight .10000E+01 volume .13040E+00 ppm1 2.156 ppm2 1.091 OR { 1426} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name HD2%) OR { 1426} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 42 and name HD1%) ASSI { 1433} (( segid " " and resid 52 and name HG1 )) ( segid " " and resid 42 and name HD2%) 2.800 1.000 1.000 peak 1433 weight .10000E+01 volume .10154E+00 ppm1 1.284 ppm2 1.093 OR { 1433} (( segid " " and resid 52 and name HG2 )) ( segid " " and resid 42 and name HD2%) ASSI { 1435} (( segid " " and resid 42 and name HG )) ( segid " " and resid 42 and name HD2%) 2.500 .800 .800 peak 1435 weight .10000E+01 volume .20582E+00 ppm1 1.222 ppm2 1.091 OR { 1435} (( segid " " and resid 42 and name HG )) ( segid " " and resid 42 and name HD1%) ASSI { 1523} (( segid " " and resid 38 and name HA )) ( segid " " and resid 42 and name HD1%) 2.500 2.500 2.000 peak 1523 weight .10000E+01 volume .19342E+00 ppm1 4.840 ppm2 1.067 ASSI { 1524} (( segid " " and resid 38 and name HA )) ( segid " " and resid 59 and name HD1%) 2.600 2.600 1.900 peak 1524 weight .10000E+01 volume .15631E+00 ppm1 4.834 ppm2 .461 ASSI { 1527} (( segid " " and resid 37 and name HA )) ( segid " " and resid 59 and name HD1%) 2.600 2.600 1.900 peak 1527 weight .10000E+01 volume .15526E+00 ppm1 4.732 ppm2 .457 ASSI { 1541} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 59 and name HD1%) 2.800 1.000 1.000 peak 1541 weight .10000E+01 volume .94460E-01 ppm1 1.991 ppm2 .472 ASSI { 1545} (( segid " " and resid 31 and name HG12)) ( segid " " and resid 59 and name HD2%) 2.800 1.000 1.000 peak 1545 weight .10000E+01 volume .11252E+00 ppm1 .783 ppm2 .454 OR { 1545} (( segid " " and resid 31 and name HG11)) ( segid " " and resid 59 and name HD2%) ASSI { 1563} ( segid " " and resid 59 and name HD1%) ( segid " " and resid 42 and name HD1%) 2.100 .600 .600 peak 1563 weight .10000E+01 volume .57636E+00 ppm1 .465 ppm2 1.070 OR { 1563} ( segid " " and resid 59 and name HD1%) ( segid " " and resid 42 and name HD2%) ASSI { 1735} (( segid " " and resid 58 and name HA2 )) (( segid " " and resid 58 and name HA1 )) 1.900 .500 .500 peak 1735 weight .10000E+01 volume .98554E+00 ppm1 4.093 ppm2 3.755 ASSI { 1809} (( segid " " and resid 62 and name HG )) ( segid " " and resid 62 and name HD2%) 2.100 .600 .600 peak 1809 weight .10000E+01 volume .54951E+00 ppm1 1.746 ppm2 .636 ASSI { 1810} (( segid " " and resid 34 and name HG )) ( segid " " and resid 62 and name HD2%) 2.800 1.000 1.000 peak 1810 weight .10000E+01 volume .11195E+00 ppm1 1.574 ppm2 .634 ASSI { 1811} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 62 and name HD2%) 2.800 2.800 1.700 peak 1811 weight .10000E+01 volume .11478E+00 ppm1 1.238 ppm2 .636 ASSI { 1820} (( segid " " and resid 59 and name HG )) ( segid " " and resid 62 and name HD2%) 2.800 1.000 1.000 peak 1820 weight .10000E+01 volume .10649E+00 ppm1 .902 ppm2 .639 ASSI { 1837} ( segid " " and resid 62 and name HD2%) ( segid " " and resid 62 and name HD1%) 1.600 .300 .600 peak 1837 weight .10000E+01 volume .32131E+01 ppm1 .637 ppm2 .516 ASSI { 1930} (( segid " " and resid 24 and name HB )) ( segid " " and resid 24 and name HG2%) 2.900 1.100 1.100 peak 1930 weight .10000E+01 volume .89980E-01 ppm1 4.236 ppm2 1.298 ASSI { 1934} (( segid " " and resid 11 and name HG )) ( segid " " and resid 11 and name HD1%) 2.900 1.100 1.100 peak 1934 weight .10000E+01 volume .92470E-01 ppm1 1.867 ppm2 .722 ASSI { 1960} ( segid " " and resid 20 and name HD1%) ( segid " " and resid 11 and name HD1%) 2.800 1.000 1.000 peak 1960 weight .10000E+01 volume .11343E+00 ppm1 1.041 ppm2 .713 ASSI { 1980} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 11 and name HD2%) 1.800 .400 .400 peak 1980 weight .10000E+01 volume .16264E+01 ppm1 .726 ppm2 .881 ASSI { 2129} (( segid " " and resid 13 and name HA2 )) (( segid " " and resid 13 and name HA1 )) 1.800 .400 .400 peak 2129 weight .10000E+01 volume .14787E+01 ppm1 3.991 ppm2 3.879 ASSI { 2176} (( segid " " and resid 54 and name HB )) ( segid " " and resid 54 and name HG2%) 2.500 .800 .800 peak 2176 weight .10000E+01 volume .19308E+00 ppm1 4.321 ppm2 1.355 ASSI { 2195} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 54 and name HG2%) 2.600 2.600 1.900 peak 2195 weight .10000E+01 volume .16838E+00 ppm1 1.553 ppm2 1.354 ASSI { 2251} (( segid " " and resid 38 and name HA )) ( segid " " and resid 37 and name HD1%) 2.300 2.300 2.200 peak 2251 weight .10000E+01 volume .31748E+00 ppm1 4.865 ppm2 .977 OR { 2251} (( segid " " and resid 38 and name HA )) ( segid " " and resid 37 and name HD2%) ASSI { 2270} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HD1%) 2.500 .800 .800 peak 2270 weight .10000E+01 volume .22865E+00 ppm1 4.724 ppm2 .981 ASSI { 2297} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 37 and name HD2%) 2.600 .800 .800 peak 2297 weight .10000E+01 volume .18169E+00 ppm1 2.017 ppm2 .959 OR { 2297} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 37 and name HD1%) ASSI { 2300} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 37 and name HD2%) 2.900 1.100 1.100 peak 2300 weight .10000E+01 volume .90720E-01 ppm1 1.583 ppm2 .980 OR { 2300} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 37 and name HD1%) ASSI { 2356} (( segid " " and resid 14 and name HG )) ( segid " " and resid 54 and name HG2%) 1.600 .300 .600 peak 2356 weight .10000E+01 volume .30620E+01 ppm1 .646 ppm2 1.364 ASSI { 2408} (( segid " " and resid 43 and name HA2 )) (( segid " " and resid 43 and name HA1 )) 1.900 .500 .500 peak 2408 weight .10000E+01 volume .93877E+00 ppm1 3.936 ppm2 3.729 ASSI { 2463} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 37 and name HD1%) 2.900 1.100 1.100 peak 2463 weight .10000E+01 volume .80670E-01 ppm1 2.174 ppm2 .965 OR { 2463} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 37 and name HD1%) OR { 2463} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 37 and name HD2%) OR { 2463} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 37 and name HD2%) ASSI { 2465} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HG )) 2.900 1.100 1.100 peak 2465 weight .10000E+01 volume .91190E-01 ppm1 1.576 ppm2 .638 ASSI { 2469} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 14 and name HG )) 2.900 2.900 1.600 peak 2469 weight .10000E+01 volume .87980E-01 ppm1 1.049 ppm2 .639 ASSI { 2716} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) 2.500 .800 .800 peak 2716 weight .10000E+01 volume .18847E+00 ppm1 4.836 ppm2 1.416 ASSI { 2736} (( segid " " and resid 40 and name HG2 )) ( segid " " and resid 38 and name HG2%) 2.700 .900 .900 peak 2736 weight .10000E+01 volume .13549E+00 ppm1 2.340 ppm2 1.410 ASSI { 2763} ( segid " " and resid 42 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.700 2.700 1.800 peak 2763 weight .10000E+01 volume .11634E+00 ppm1 1.093 ppm2 1.408 OR { 2763} ( segid " " and resid 42 and name HD2%) ( segid " " and resid 38 and name HG2%) ASSI { 3007} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 27 and name HA1 )) 2.100 .600 .600 peak 3007 weight .10000E+01 volume .61519E+00 ppm1 3.956 ppm2 3.279 ASSI { 3195} (( segid " " and resid 12 and name HA )) ( segid " " and resid 12 and name HG2%) 2.600 .800 .800 peak 3195 weight .10000E+01 volume .15039E+00 ppm1 4.261 ppm2 1.218 ASSI { 3204} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 12 and name HG2%) 2.800 1.000 1.000 peak 3204 weight .10000E+01 volume .10929E+00 ppm1 2.147 ppm2 1.218 OR { 3204} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 12 and name HG2%) ASSI { 3277} (( segid " " and resid 15 and name HA2 )) (( segid " " and resid 15 and name HA1 )) 1.800 .400 .400 peak 3277 weight .10000E+01 volume .13862E+01 ppm1 4.301 ppm2 3.886 ASSI { 3705} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HB% ) 2.700 .900 .900 peak 3705 weight .10000E+01 volume .12137E+00 ppm1 4.403 ppm2 1.307 ASSI { 3808} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB )) 2.100 2.100 2.400 peak 3808 weight .10000E+01 volume .58015E+00 ppm1 4.262 ppm2 3.672 ASSI { 4338} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.900 1.100 1.100 peak 4338 weight .10000E+01 volume .80870E-01 ppm1 4.238 ppm2 1.390 ASSI { 4357} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HD1 )) 1.400 .200 .800 peak 4357 weight .10000E+01 volume .80493E+01 ppm1 3.302 ppm2 3.262 ASSI { 4375} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HD1 )) 2.700 .900 .900 peak 4375 weight .10000E+01 volume .14179E+00 ppm1 1.976 ppm2 3.274 ASSI { 4376} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HD1 )) 2.600 .800 .800 peak 4376 weight .10000E+01 volume .15605E+00 ppm1 1.815 ppm2 3.269 ASSI { 4383} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB1 )) 2.000 .500 .500 peak 4383 weight .10000E+01 volume .81189E+00 ppm1 1.573 ppm2 1.377 ASSI { 4440} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 1.900 1.900 2.600 peak 4440 weight .10000E+01 volume .91901E+00 ppm1 3.870 ppm2 4.786 ASSI { 4441} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 1.800 .400 .400 peak 4441 weight .10000E+01 volume .14055E+01 ppm1 3.872 ppm2 3.530 ASSI { 4451} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) 1.900 .500 .500 peak 4451 weight .10000E+01 volume .91467E+00 ppm1 3.529 ppm2 4.784 ASSI { 4572} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HB1 )) 2.200 .600 .600 peak 4572 weight .10000E+01 volume .43533E+00 ppm1 1.759 ppm2 1.329 ASSI { 4585} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 45 and name HB1 )) 2.600 2.600 1.900 peak 4585 weight .10000E+01 volume .15361E+00 ppm1 .948 ppm2 1.295 ASSI { 4624} (( segid " " and resid 54 and name HB )) (( segid " " and resid 54 and name HA )) 2.700 .900 .900 peak 4624 weight .10000E+01 volume .12029E+00 ppm1 4.321 ppm2 3.930 ASSI { 4719} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 2.500 .800 .800 peak 4719 weight .10000E+01 volume .18589E+00 ppm1 1.991 ppm2 1.387 ASSI { 4732} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HB2 )) 2.400 .700 .700 peak 4732 weight .10000E+01 volume .27166E+00 ppm1 1.142 ppm2 1.997 ASSI { 4733} (( segid " " and resid 47 and name HG11)) (( segid " " and resid 45 and name HB1 )) 2.700 .900 .900 peak 4733 weight .10000E+01 volume .13217E+00 ppm1 1.137 ppm2 1.312 OR { 4733} (( segid " " and resid 47 and name HG12)) (( segid " " and resid 45 and name HB1 )) ASSI { 4827} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 2.200 .600 .600 peak 4827 weight .10000E+01 volume .49873E+00 ppm1 1.690 ppm2 1.400 ASSI { 4936} (( segid " " and resid 38 and name HA )) (( segid " " and resid 37 and name HB1 )) 2.600 2.600 1.900 peak 4936 weight .10000E+01 volume .15222E+00 ppm1 4.855 ppm2 1.565 ASSI { 4957} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.600 .800 .800 peak 4957 weight .10000E+01 volume .16290E+00 ppm1 4.697 ppm2 2.015 ASSI { 4981} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HE1 )) 2.700 2.700 1.800 peak 4981 weight .10000E+01 volume .13538E+00 ppm1 3.583 ppm2 3.012 OR { 4981} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HE2 )) ASSI { 5017} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HB1 )) 2.200 .600 .600 peak 5017 weight .10000E+01 volume .49042E+00 ppm1 1.977 ppm2 1.594 ASSI { 5021} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HE2 )) 1.900 .500 .500 peak 5021 weight .10000E+01 volume .10138E+01 ppm1 1.726 ppm2 3.014 OR { 5021} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HE1 )) ASSI { 5023} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HB2 )) 2.600 .800 .800 peak 5023 weight .10000E+01 volume .15214E+00 ppm1 1.679 ppm2 1.995 ASSI { 5071} (( segid " " and resid 19 and name HA )) ( segid " " and resid 20 and name HG2%) 2.600 2.600 1.900 peak 5071 weight .10000E+01 volume .16149E+00 ppm1 4.778 ppm2 .951 ASSI { 5117} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 20 and name HG2%) 2.800 1.000 1.000 peak 5117 weight .10000E+01 volume .96410E-01 ppm1 1.304 ppm2 .955 ASSI { 5134} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 20 and name HA )) 2.100 2.100 2.400 peak 5134 weight .10000E+01 volume .66357E+00 ppm1 .954 ppm2 3.688 ASSI { 5177} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.700 .900 .900 peak 5177 weight .10000E+01 volume .13281E+00 ppm1 4.146 ppm2 1.746 ASSI { 5178} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.800 1.000 1.000 peak 5178 weight .10000E+01 volume .96760E-01 ppm1 4.147 ppm2 1.492 ASSI { 5179} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HE2 )) 2.700 .900 .900 peak 5179 weight .10000E+01 volume .14192E+00 ppm1 4.117 ppm2 2.916 OR { 5179} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HE1 )) ASSI { 5233} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HB1 )) 1.800 .400 .400 peak 5233 weight .10000E+01 volume .16704E+01 ppm1 1.746 ppm2 1.497 ASSI { 5236} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HE2 )) 1.800 .400 .400 peak 5236 weight .10000E+01 volume .13287E+01 ppm1 1.619 ppm2 2.917 OR { 5236} (( segid " " and resid 63 and name HD1 )) (( segid " " and resid 63 and name HE2 )) OR { 5236} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HE1 )) OR { 5236} (( segid " " and resid 63 and name HD1 )) (( segid " " and resid 63 and name HE1 )) ASSI { 5287} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HB% ) 2.200 .600 .600 peak 5287 weight .10000E+01 volume .46727E+00 ppm1 4.211 ppm2 1.576 ASSI { 5297} (( segid " " and resid 20 and name HB )) ( segid " " and resid 20 and name HG2%) 2.500 .800 .800 peak 5297 weight .10000E+01 volume .18719E+00 ppm1 1.917 ppm2 .952 ASSI { 5305} ( segid " " and resid 12 and name HG2%) ( segid " " and resid 20 and name HG2%) 2.900 1.100 1.100 peak 5305 weight .10000E+01 volume .88910E-01 ppm1 1.209 ppm2 .952 ASSI { 5308} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 44 and name HB% ) 2.800 2.800 1.700 peak 5308 weight .10000E+01 volume .10249E+00 ppm1 .963 ppm2 1.593 OR { 5308} ( segid " " and resid 37 and name HD2%) ( segid " " and resid 44 and name HB% ) ASSI { 5369} (( segid " " and resid 59 and name HG )) (( segid " " and resid 62 and name HB1 )) 2.800 2.800 1.700 peak 5369 weight .10000E+01 volume .97470E-01 ppm1 .951 ppm2 1.497 ASSI { 5556} (( segid " " and resid 34 and name HG )) ( segid " " and resid 31 and name HG2%) 2.900 1.100 1.100 peak 5556 weight .10000E+01 volume .85790E-01 ppm1 1.580 ppm2 .359 ASSI { 5589} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 2.100 .600 .600 peak 5589 weight .10000E+01 volume .51998E+00 ppm1 3.224 ppm2 2.683 ASSI { 5627} (( segid " " and resid 38 and name HA )) ( segid " " and resid 39 and name HG2%) 2.400 2.400 2.100 peak 5627 weight .10000E+01 volume .27383E+00 ppm1 4.836 ppm2 .609 ASSI { 5629} (( segid " " and resid 30 and name HA )) ( segid " " and resid 31 and name HG2%) 2.300 2.300 2.200 peak 5629 weight .10000E+01 volume .32134E+00 ppm1 4.809 ppm2 .358 ASSI { 5640} (( segid " " and resid 38 and name HB )) ( segid " " and resid 39 and name HG2%) 2.600 .800 .800 peak 5640 weight .10000E+01 volume .16899E+00 ppm1 4.698 ppm2 .597 ASSI { 5666} (( segid " " and resid 55 and name HB )) ( segid " " and resid 55 and name HG2%) 2.700 .900 .900 peak 5666 weight .10000E+01 volume .12154E+00 ppm1 1.994 ppm2 1.074 ASSI { 5672} (( segid " " and resid 31 and name HB )) ( segid " " and resid 31 and name HG2%) 2.500 .800 .800 peak 5672 weight .10000E+01 volume .20309E+00 ppm1 1.299 ppm2 .357 ASSI { 5675} (( segid " " and resid 7 and name HG )) ( segid " " and resid 31 and name HG2%) 2.900 2.900 1.600 peak 5675 weight .10000E+01 volume .78540E-01 ppm1 .737 ppm2 .360 ASSI { 5679} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 31 and name HG2%) 2.700 .900 .900 peak 5679 weight .10000E+01 volume .13327E+00 ppm1 .549 ppm2 .352 ASSI { 5723} (( segid " " and resid 37 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.700 .900 .900 peak 5723 weight .10000E+01 volume .12362E+00 ppm1 4.689 ppm2 3.216 ASSI { 5785} (( segid " " and resid 53 and name HA )) ( segid " " and resid 39 and name HG2%) 2.200 2.200 2.300 peak 5785 weight .10000E+01 volume .46694E+00 ppm1 4.745 ppm2 .609 ASSI { 5875} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HG2%) 2.300 .700 .700 peak 5875 weight .10000E+01 volume .38749E+00 ppm1 .991 ppm2 .609 ASSI { 5897} (( segid " " and resid 39 and name HG12)) ( segid " " and resid 39 and name HG2%) 2.400 .700 .700 peak 5897 weight .10000E+01 volume .23380E+00 ppm1 .773 ppm2 .608 ASSI { 5953} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 2.100 .600 .600 peak 5953 weight .10000E+01 volume .54924E+00 ppm1 4.623 ppm2 2.651 ASSI { 5954} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.000 .500 .500 peak 5954 weight .10000E+01 volume .69503E+00 ppm1 4.623 ppm2 2.495 ASSI { 5978} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HB1 )) 1.300 .200 .900 peak 5978 weight .10000E+01 volume .89759E+01 ppm1 2.651 ppm2 2.494 ASSI { 5992} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HB1 )) 2.100 .600 .600 peak 5992 weight .10000E+01 volume .59534E+00 ppm1 1.912 ppm2 1.251 ASSI { 6111} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 67 and name HB2 )) 2.900 1.100 1.100 peak 6111 weight .10000E+01 volume .92590E-01 ppm1 2.990 ppm2 2.655 ASSI { 6274} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HB1 )) 2.300 .700 .700 peak 6274 weight .10000E+01 volume .30867E+00 ppm1 1.657 ppm2 1.378 ASSI { 6286} (( segid " " and resid 42 and name HG )) (( segid " " and resid 42 and name HB2 )) 2.100 .600 .600 peak 6286 weight .10000E+01 volume .57837E+00 ppm1 1.241 ppm2 2.151 OR { 6286} (( segid " " and resid 42 and name HG )) (( segid " " and resid 42 and name HB1 )) ASSI { 6386} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HA )) 2.900 2.900 1.600 peak 6386 weight .10000E+01 volume .87110E-01 ppm1 4.868 ppm2 3.485 ASSI { 6399} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HA )) 2.800 2.800 1.700 peak 6399 weight .10000E+01 volume .10520E+00 ppm1 4.710 ppm2 3.498 ASSI { 6541} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 2.400 .700 .700 peak 6541 weight .10000E+01 volume .28011E+00 ppm1 4.458 ppm2 2.740 OR { 6541} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 6560} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HB1 )) 2.100 .600 .600 peak 6560 weight .10000E+01 volume .54273E+00 ppm1 3.561 ppm2 2.462 ASSI { 6607} (( segid " " and resid 20 and name HG11)) (( segid " " and resid 28 and name HB2 )) 2.200 2.200 2.300 peak 6607 weight .10000E+01 volume .46603E+00 ppm1 1.788 ppm2 2.058 OR { 6607} (( segid " " and resid 20 and name HG12)) (( segid " " and resid 28 and name HB2 )) ASSI { 6622} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HB2 )) 2.200 .600 .600 peak 6622 weight .10000E+01 volume .40254E+00 ppm1 1.290 ppm2 2.081 ASSI { 6920} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB1 )) 2.400 .700 .700 peak 6920 weight .10000E+01 volume .29284E+00 ppm1 3.360 ppm2 2.938 ASSI { 7139} (( segid " " and resid 20 and name HB )) ( segid " " and resid 20 and name HD1%) 2.900 1.100 1.100 peak 7139 weight .10000E+01 volume .83410E-01 ppm1 1.939 ppm2 1.023 ASSI { 7241} (( segid " " and resid 20 and name HG11)) ( segid " " and resid 20 and name HD1%) 2.500 .800 .800 peak 7241 weight .10000E+01 volume .20857E+00 ppm1 1.755 ppm2 1.020 OR { 7241} (( segid " " and resid 20 and name HG12)) ( segid " " and resid 20 and name HD1%) ASSI { 7242} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 20 and name HD1%) 2.900 1.100 1.100 peak 7242 weight .10000E+01 volume .78220E-01 ppm1 1.627 ppm2 1.025 ASSI { 7244} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 20 and name HD1%) 2.800 1.000 1.000 peak 7244 weight .10000E+01 volume .10901E+00 ppm1 1.367 ppm2 1.024 ASSI { 7321} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HB1 )) 2.900 1.100 1.100 peak 7321 weight .10000E+01 volume .84640E-01 ppm1 2.036 ppm2 2.642 ASSI { 7421} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.300 2.300 2.200 peak 7421 weight .10000E+01 volume .31689E+00 ppm1 4.695 ppm2 3.043 ASSI { 7441} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 2.200 2.200 2.300 peak 7441 weight .10000E+01 volume .47899E+00 ppm1 4.364 ppm2 3.024 ASSI { 7442} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB1 )) 2.100 .600 .600 peak 7442 weight .10000E+01 volume .63299E+00 ppm1 4.367 ppm2 2.885 ASSI { 7498} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HB1 )) 1.400 .200 .800 peak 7498 weight .10000E+01 volume .81315E+01 ppm1 3.022 ppm2 2.892 ASSI { 7554} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HB2 )) 1.900 .500 .500 peak 7554 weight .10000E+01 volume .11083E+01 ppm1 3.886 ppm2 4.001 ASSI { 7555} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HB2 )) 2.200 2.200 2.300 peak 7555 weight .10000E+01 volume .45672E+00 ppm1 3.815 ppm2 3.686 ASSI { 7591} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HB2 )) 2.600 2.600 1.900 peak 7591 weight .10000E+01 volume .15489E+00 ppm1 4.604 ppm2 3.021 ASSI { 7608} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HB1 )) 1.600 .300 .600 peak 7608 weight .10000E+01 volume .29059E+01 ppm1 3.025 ppm2 2.668 ASSI { 7678} (( segid " " and resid 28 and name HG )) (( segid " " and resid 23 and name HB2 )) 2.200 .600 .600 peak 7678 weight .10000E+01 volume .50156E+00 ppm1 1.127 ppm2 3.693 ASSI { 7679} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 31 and name HA )) 2.200 2.200 2.300 peak 7679 weight .10000E+01 volume .39514E+00 ppm1 1.127 ppm2 3.563 ASSI { 7912} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HB1 )) 2.300 .700 .700 peak 7912 weight .10000E+01 volume .32134E+00 ppm1 4.068 ppm2 3.835 ASSI { 8118} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 1.800 .400 .400 peak 8118 weight .10000E+01 volume .15163E+01 ppm1 4.190 ppm2 3.960 OR { 8118} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) ASSI { 8262} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HB1 )) 2.100 .600 .600 peak 8262 weight .10000E+01 volume .52812E+00 ppm1 2.822 ppm2 2.482 ASSI { 8370} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.900 1.100 1.100 peak 8370 weight .10000E+01 volume .82350E-01 ppm1 4.152 ppm2 2.820 ASSI { 8627} (( segid " " and resid 39 and name HG12)) ( segid " " and resid 39 and name HD1%) 2.200 .600 .600 peak 8627 weight .10000E+01 volume .38901E+00 ppm1 .756 ppm2 .390 ASSI { 8631} (( segid " " and resid 39 and name HG11)) ( segid " " and resid 39 and name HD1%) 2.200 .600 .600 peak 8631 weight .10000E+01 volume .44865E+00 ppm1 .585 ppm2 .390 ASSI { 8632} ( segid " " and resid 59 and name HD2%) ( segid " " and resid 31 and name HD1%) 2.800 1.000 1.000 peak 8632 weight .10000E+01 volume .98920E-01 ppm1 .481 ppm2 .144 ASSI { 8725} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 1.900 .500 .500 peak 8725 weight .10000E+01 volume .10527E+01 ppm1 2.894 ppm2 2.727 ASSI { 8742} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HB )) 2.400 .700 .700 peak 8742 weight .10000E+01 volume .25758E+00 ppm1 .615 ppm2 .990 OR { 8742} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 39 and name HB )) ASSI { 8825} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) 2.900 1.100 1.100 peak 8825 weight .10000E+01 volume .87840E-01 ppm1 2.489 ppm2 4.148 ASSI { 8830} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 49 and name HA )) 2.800 1.000 1.000 peak 8830 weight .10000E+01 volume .94850E-01 ppm1 2.262 ppm2 3.545 OR { 8830} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HA )) ASSI { 8838} (( segid " " and resid 31 and name HG11)) ( segid " " and resid 31 and name HD1%) 2.100 .600 .600 peak 8838 weight .10000E+01 volume .57979E+00 ppm1 .818 ppm2 .156 OR { 8838} (( segid " " and resid 31 and name HG12)) ( segid " " and resid 31 and name HD1%) ASSI { 8856} (( segid " " and resid 38 and name HB )) (( segid " " and resid 40 and name HG1 )) 2.700 .900 .900 peak 8856 weight .10000E+01 volume .13321E+00 ppm1 4.697 ppm2 2.206 ASSI { 8859} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 8859 weight .10000E+01 volume .97000E-01 ppm1 4.097 ppm2 2.900 ASSI { 8861} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB1 )) 2.900 1.100 1.100 peak 8861 weight .10000E+01 volume .80980E-01 ppm1 4.091 ppm2 2.725 ASSI { 8870} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HG1 )) 1.500 .300 .700 peak 8870 weight .10000E+01 volume .42838E+01 ppm1 2.371 ppm2 2.197 ASSI { 8939} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 47 and name HD1%) 2.900 1.100 1.100 peak 8939 weight .10000E+01 volume .86520E-01 ppm1 .957 ppm2 .323 ASSI { 8982} (( segid " " and resid 19 and name HA )) ( segid " " and resid 47 and name HD1%) 2.400 2.400 2.100 peak 8982 weight .10000E+01 volume .26430E+00 ppm1 4.779 ppm2 .331 ASSI { 9013} (( segid " " and resid 47 and name HG12)) ( segid " " and resid 47 and name HD1%) 2.200 .600 .600 peak 9013 weight .10000E+01 volume .39107E+00 ppm1 1.128 ppm2 .336 OR { 9013} (( segid " " and resid 47 and name HG11)) ( segid " " and resid 47 and name HD1%) ASSI { 9021} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 22 and name HA )) 2.400 2.400 2.100 peak 9021 weight .10000E+01 volume .27823E+00 ppm1 .335 ppm2 4.138 ASSI { 9080} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HG1 )) 1.500 .300 .700 peak 9080 weight .10000E+01 volume .48873E+01 ppm1 2.136 ppm2 2.039 ASSI { 9091} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HG2 )) 2.800 1.000 1.000 peak 9091 weight .10000E+01 volume .99390E-01 ppm1 1.885 ppm2 2.142 ASSI { 9092} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HG1 )) 2.600 .800 .800 peak 9092 weight .10000E+01 volume .15976E+00 ppm1 1.822 ppm2 2.037 ASSI { 9245} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HA )) 2.900 1.100 1.100 peak 9245 weight .10000E+01 volume .79430E-01 ppm1 2.373 ppm2 3.975 ASSI { 9254} (( segid " " and resid 40 and name HG1 )) (( segid " " and resid 40 and name HA )) 2.900 1.100 1.100 peak 9254 weight .10000E+01 volume .93070E-01 ppm1 2.197 ppm2 3.973 ASSI { 9259} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) 2.900 1.100 1.100 peak 9259 weight .10000E+01 volume .88090E-01 ppm1 2.005 ppm2 3.980 ASSI { 9348} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HG2 )) 2.500 .800 .800 peak 9348 weight .10000E+01 volume .22409E+00 ppm1 1.964 ppm2 2.269 OR { 9348} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HG1 )) ASSI { 9401} (( segid " " and resid 56 and name HA )) (( segid " " and resid 38 and name HA )) 2.900 1.100 1.100 peak 9401 weight .10000E+01 volume .81410E-01 ppm1 4.229 ppm2 4.854 ASSI { 9446} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB1 )) 2.800 1.000 1.000 peak 9446 weight .10000E+01 volume .11487E+00 ppm1 4.606 ppm2 2.896 OR { 9446} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB2 )) ASSI { 9455} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HG1 )) 2.500 .800 .800 peak 9455 weight .10000E+01 volume .22498E+00 ppm1 2.026 ppm2 2.270 OR { 9455} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HG2 )) ASSI { 9477} (( segid " " and resid 38 and name HB )) (( segid " " and resid 40 and name HA )) 2.800 2.800 1.700 peak 9477 weight .10000E+01 volume .11507E+00 ppm1 4.682 ppm2 3.997 ASSI {10712} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 26 and name HG1 )) 1.800 .400 .400 peak 10712 weight .10000E+01 volume .13999E+01 ppm1 2.495 ppm2 2.344 ASSI {10756} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG1 )) 2.200 .600 .600 peak 10756 weight .10000E+01 volume .38821E+00 ppm1 2.122 ppm2 2.386 OR {10756} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG2 )) ASSI {10757} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HG2 )) 2.600 .800 .800 peak 10757 weight .10000E+01 volume .15941E+00 ppm1 2.021 ppm2 2.270 OR {10757} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HG1 )) ASSI {10758} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG1 )) 2.300 .700 .700 peak 10758 weight .10000E+01 volume .32564E+00 ppm1 2.000 ppm2 2.384 OR {10758} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG2 )) ASSI {10759} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HG2 )) 2.500 .800 .800 peak 10759 weight .10000E+01 volume .22571E+00 ppm1 1.942 ppm2 2.271 OR {10759} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HG2 )) ASSI {10851} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) 2.900 1.100 1.100 peak 10851 weight .10000E+01 volume .84400E-01 ppm1 3.223 ppm2 4.424 ASSI {10859} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 10859 weight .10000E+01 volume .10406E+00 ppm1 1.807 ppm2 3.712 ASSI {10860} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) 2.500 .800 .800 peak 10860 weight .10000E+01 volume .19131E+00 ppm1 1.795 ppm2 4.110 ASSI {11304} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.800 1.000 1.000 peak 11304 weight .10000E+01 volume .96780E-01 ppm1 3.711 ppm2 1.868 ASSI {11305} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HB1 )) 2.800 1.000 1.000 peak 11305 weight .10000E+01 volume .10794E+00 ppm1 3.709 ppm2 1.811 ASSI {11479} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.400 .700 .700 peak 11479 weight .10000E+01 volume .27840E+00 ppm1 4.112 ppm2 1.842 ASSI {11667} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HB1 )) 2.000 .500 .500 peak 11667 weight .10000E+01 volume .68618E+00 ppm1 2.506 ppm2 1.826 ASSI {11796} (( segid " " and resid 60 and name HG2 )) (( segid " " and resid 60 and name HG1 )) 1.900 .500 .500 peak 11796 weight .10000E+01 volume .10325E+01 ppm1 1.465 ppm2 1.379 ASSI {12004} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HG1 )) 1.600 .300 .600 peak 12004 weight .10000E+01 volume .26743E+01 ppm1 1.583 ppm2 1.324 ASSI {12432} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.900 1.100 1.100 peak 12432 weight .10000E+01 volume .89320E-01 ppm1 4.432 ppm2 3.298 OR {12432} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) ASSI {12711} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HA )) 2.500 .800 .800 peak 12711 weight .10000E+01 volume .22856E+00 ppm1 3.004 ppm2 4.651 ASSI {12896} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 29 and name HB2 )) 2.500 2.500 2.000 peak 12896 weight .10000E+01 volume .20015E+00 ppm1 1.029 ppm2 1.913 OR {12896} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 29 and name HB1 )) ASSI {13673} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HA )) 1.900 1.900 2.600 peak 13673 weight .10000E+01 volume .10044E+01 ppm1 4.388 ppm2 4.619 ASSI {14265} (( segid " " and resid 55 and name HB )) (( segid " " and resid 55 and name HG12)) 2.400 .700 .700 peak 14265 weight .10000E+01 volume .26206E+00 ppm1 1.995 ppm2 2.138 OR {14265} (( segid " " and resid 55 and name HB )) (( segid " " and resid 55 and name HG11)) ASSI {14463} (( segid " " and resid 38 and name HA )) (( segid " " and resid 56 and name HB1 )) 2.900 1.100 1.100 peak 14463 weight .10000E+01 volume .91970E-01 ppm1 4.838 ppm2 3.289 ASSI {15500} (( segid " " and resid 5 and name HD1 )) (( segid " " and resid 3 and name HA )) 2.600 2.600 1.900 peak 15500 weight .10000E+01 volume .18116E+00 ppm1 3.837 ppm2 4.386 ASSI {15723} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 28 and name HG )) 2.700 2.700 1.800 peak 15723 weight .10000E+01 volume .13424E+00 ppm1 .758 ppm2 1.088 ASSI {15866} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 28 and name HG )) 2.900 1.100 1.100 peak 15866 weight .10000E+01 volume .85110E-01 ppm1 .965 ppm2 1.125 OR {15866} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 28 and name HG )) ASSI {15917} (( segid " " and resid 47 and name HG12)) (( segid " " and resid 48 and name HD2 )) 2.400 2.400 2.100 peak 15917 weight .10000E+01 volume .24857E+00 ppm1 1.113 ppm2 3.664 OR {15917} (( segid " " and resid 47 and name HG11)) (( segid " " and resid 48 and name HD2 )) ASSI {16006} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HD1 )) 2.400 .700 .700 peak 16006 weight .10000E+01 volume .28621E+00 ppm1 2.151 ppm2 3.490 OR {16006} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HD1 )) ASSI {16270} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 45 and name HD2%) 2.500 .800 .800 peak 16270 weight .10000E+01 volume .20029E+00 ppm1 1.580 ppm2 1.850 ASSI { 228} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 39 and name HN )) 3.100 1.200 1.200 peak 228 weight .10000E+01 volume .19758E+00 ppm1 10.175 ppm2 8.241 ASSI { 231} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 56 and name HZ2 )) 2.100 .600 .600 peak 231 weight .10000E+01 volume .16944E+01 ppm1 10.174 ppm2 7.127 ASSI { 232} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 60 and name HE22)) 3.100 1.200 1.200 peak 232 weight .10000E+01 volume .16719E+00 ppm1 10.173 ppm2 6.782 ASSI { 233} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 60 and name HE21)) 3.100 1.200 1.200 peak 233 weight .10000E+01 volume .16541E+00 ppm1 10.175 ppm2 5.970 ASSI { 234} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 38 and name HA )) 2.700 .900 .900 peak 234 weight .10000E+01 volume .46436E+00 ppm1 10.174 ppm2 4.851 ASSI { 238} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 60 and name HB1 )) 3.500 1.500 1.500 peak 238 weight .10000E+01 volume .84270E-01 ppm1 10.174 ppm2 1.815 ASSI { 239} (( segid " " and resid 56 and name HE1 )) ( segid " " and resid 38 and name HG2%) 2.900 1.100 1.100 peak 239 weight .10000E+01 volume .26333E+00 ppm1 10.174 ppm2 1.413 ASSI { 302} (( segid " " and resid 56 and name HE1 )) ( segid " " and resid 39 and name HG2%) 3.000 1.100 1.100 peak 302 weight .10000E+01 volume .20036E+00 ppm1 10.174 ppm2 .614 ASSI { 346} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HN )) 3.200 1.300 1.300 peak 346 weight .10000E+01 volume .16142E+00 ppm1 7.994 ppm2 7.851 ASSI { 350} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HA )) 2.800 1.000 1.000 peak 350 weight .10000E+01 volume .34473E+00 ppm1 7.993 ppm2 4.409 ASSI { 351} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.400 .700 .700 peak 351 weight .10000E+01 volume .79948E+00 ppm1 7.994 ppm2 4.209 ASSI { 352} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA2 )) 2.700 .900 .900 peak 352 weight .10000E+01 volume .42146E+00 ppm1 7.994 ppm2 3.944 ASSI { 353} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA1 )) 2.900 1.100 1.100 peak 353 weight .10000E+01 volume .29484E+00 ppm1 7.994 ppm2 3.727 ASSI { 354} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.400 1.400 1.400 peak 354 weight .10000E+01 volume .10543E+00 ppm1 7.993 ppm2 2.163 OR { 354} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 355} (( segid " " and resid 44 and name HN )) ( segid " " and resid 45 and name HD2%) 3.300 1.400 1.400 peak 355 weight .10000E+01 volume .12131E+00 ppm1 7.995 ppm2 1.864 ASSI { 356} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.400 1.400 1.400 peak 356 weight .10000E+01 volume .96140E-01 ppm1 7.994 ppm2 1.773 ASSI { 357} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HB% ) 2.100 .600 .600 peak 357 weight .10000E+01 volume .20433E+01 ppm1 7.993 ppm2 1.577 ASSI { 541} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 3.500 1.500 1.500 peak 541 weight .10000E+01 volume .81050E-01 ppm1 7.737 ppm2 4.073 ASSI { 589} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.800 1.000 1.000 peak 589 weight .10000E+01 volume .30703E+00 ppm1 9.041 ppm2 3.535 ASSI { 590} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 590 weight .10000E+01 volume .19771E+00 ppm1 9.042 ppm2 2.503 ASSI { 591} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG2 )) 2.600 2.600 1.900 peak 591 weight .10000E+01 volume .47095E+00 ppm1 9.043 ppm2 2.264 OR { 591} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG1 )) ASSI { 592} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 2.500 .800 .800 peak 592 weight .10000E+01 volume .69974E+00 ppm1 9.042 ppm2 1.996 OR { 592} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB1 )) ASSI { 593} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) 3.100 1.200 1.200 peak 593 weight .10000E+01 volume .17405E+00 ppm1 9.043 ppm2 1.826 ASSI { 650} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.200 .600 .600 peak 650 weight .10000E+01 volume .14858E+01 ppm1 8.250 ppm2 4.774 ASSI { 652} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.100 1.200 1.200 peak 652 weight .10000E+01 volume .18202E+00 ppm1 8.250 ppm2 4.379 ASSI { 653} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB2 )) 3.200 1.300 1.300 peak 653 weight .10000E+01 volume .15355E+00 ppm1 8.252 ppm2 3.119 ASSI { 654} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB1 )) 3.200 1.300 1.300 peak 654 weight .10000E+01 volume .16236E+00 ppm1 8.252 ppm2 3.066 ASSI { 655} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HB% ) 2.500 .800 .800 peak 655 weight .10000E+01 volume .69601E+00 ppm1 8.251 ppm2 1.289 ASSI { 657} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.900 1.100 1.100 peak 657 weight .10000E+01 volume .26726E+00 ppm1 7.615 ppm2 8.379 ASSI { 661} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.100 .600 .600 peak 661 weight .10000E+01 volume .19806E+01 ppm1 7.616 ppm2 4.622 ASSI { 662} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.300 .700 .700 peak 662 weight .10000E+01 volume .11330E+01 ppm1 7.616 ppm2 4.363 ASSI { 663} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.500 .800 .800 peak 663 weight .10000E+01 volume .64651E+00 ppm1 7.616 ppm2 3.019 ASSI { 664} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB1 )) 2.400 2.400 2.100 peak 664 weight .10000E+01 volume .82067E+00 ppm1 7.616 ppm2 2.892 ASSI { 665} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 665 weight .10000E+01 volume .32265E+00 ppm1 7.616 ppm2 2.654 ASSI { 666} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.900 1.100 1.100 peak 666 weight .10000E+01 volume .26874E+00 ppm1 7.616 ppm2 2.495 ASSI { 694} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 2.900 1.100 1.100 peak 694 weight .10000E+01 volume .24818E+00 ppm1 8.836 ppm2 4.885 ASSI { 696} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HD1 )) 3.600 1.600 1.600 peak 696 weight .10000E+01 volume .79260E-01 ppm1 8.836 ppm2 3.829 ASSI { 697} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.500 .800 .800 peak 697 weight .10000E+01 volume .63989E+00 ppm1 8.836 ppm2 2.781 OR { 697} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 700} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HB% ) 2.500 .800 .800 peak 700 weight .10000E+01 volume .58799E+00 ppm1 8.836 ppm2 1.294 ASSI { 735} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 3.400 1.400 1.400 peak 735 weight .10000E+01 volume .98880E-01 ppm1 7.663 ppm2 8.320 ASSI { 736} (( segid " " and resid 28 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.400 1.400 1.400 peak 736 weight .10000E+01 volume .10773E+00 ppm1 7.663 ppm2 3.650 ASSI { 781} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 781 weight .10000E+01 volume .19110E+00 ppm1 8.551 ppm2 4.235 ASSI { 782} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA2 )) 3.000 1.100 1.100 peak 782 weight .10000E+01 volume .23077E+00 ppm1 8.550 ppm2 4.093 ASSI { 783} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.700 .900 .900 peak 783 weight .10000E+01 volume .43510E+00 ppm1 8.551 ppm2 3.948 ASSI { 784} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA1 )) 2.800 1.000 1.000 peak 784 weight .10000E+01 volume .34799E+00 ppm1 8.550 ppm2 3.732 ASSI { 786} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HG2 )) 3.300 1.400 1.400 peak 786 weight .10000E+01 volume .11676E+00 ppm1 8.551 ppm2 1.477 ASSI { 788} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) 2.700 .900 .900 peak 788 weight .10000E+01 volume .41300E+00 ppm1 8.550 ppm2 1.249 ASSI { 790} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG )) 2.700 2.700 1.800 peak 790 weight .10000E+01 volume .40528E+00 ppm1 8.550 ppm2 .926 ASSI { 792} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HD2%) 2.700 .900 .900 peak 792 weight .10000E+01 volume .43972E+00 ppm1 8.550 ppm2 .467 ASSI { 793} (( segid " " and resid 59 and name HN )) ( segid " " and resid 14 and name HD1%) 3.400 1.400 1.400 peak 793 weight .10000E+01 volume .11107E+00 ppm1 8.550 ppm2 .289 ASSI { 796} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 3.100 1.200 1.200 peak 796 weight .10000E+01 volume .18504E+00 ppm1 8.304 ppm2 3.513 ASSI { 797} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.500 1.500 1.500 peak 797 weight .10000E+01 volume .82540E-01 ppm1 8.303 ppm2 3.233 ASSI { 798} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG2 )) 2.900 1.100 1.100 peak 798 weight .10000E+01 volume .28875E+00 ppm1 8.304 ppm2 2.369 ASSI { 799} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG1 )) 2.700 .900 .900 peak 799 weight .10000E+01 volume .45705E+00 ppm1 8.304 ppm2 2.194 ASSI { 800} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.500 2.500 2.000 peak 800 weight .10000E+01 volume .72122E+00 ppm1 8.303 ppm2 1.996 ASSI { 801} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 2.500 .800 .800 peak 801 weight .10000E+01 volume .58517E+00 ppm1 8.304 ppm2 1.930 ASSI { 802} (( segid " " and resid 40 and name HN )) ( segid " " and resid 38 and name HG2%) 3.000 1.100 1.100 peak 802 weight .10000E+01 volume .24210E+00 ppm1 8.303 ppm2 1.415 ASSI { 803} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) 2.800 1.000 1.000 peak 803 weight .10000E+01 volume .36299E+00 ppm1 8.303 ppm2 .986 ASSI { 804} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG12)) 3.400 1.400 1.400 peak 804 weight .10000E+01 volume .10416E+00 ppm1 8.302 ppm2 .759 ASSI { 805} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HG2%) 2.500 .800 .800 peak 805 weight .10000E+01 volume .71633E+00 ppm1 8.303 ppm2 .608 ASSI { 806} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD1%) 3.400 1.400 1.400 peak 806 weight .10000E+01 volume .99740E-01 ppm1 8.303 ppm2 .390 ASSI { 811} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 811 weight .10000E+01 volume .31520E+00 ppm1 7.720 ppm2 4.424 ASSI { 814} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.200 1.300 1.300 peak 814 weight .10000E+01 volume .15481E+00 ppm1 7.728 ppm2 1.662 ASSI { 817} (( segid " " and resid 10 and name HN )) ( segid " " and resid 8 and name HG2%) 3.300 1.400 1.400 peak 817 weight .10000E+01 volume .12108E+00 ppm1 7.725 ppm2 .932 OR { 817} (( segid " " and resid 10 and name HN )) ( segid " " and resid 8 and name HG1%) ASSI { 820} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD% ) 3.200 1.300 1.300 peak 820 weight .10000E+01 volume .15240E+00 ppm1 7.714 ppm2 6.976 ASSI { 821} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) 3.400 1.400 1.400 peak 821 weight .10000E+01 volume .96660E-01 ppm1 7.712 ppm2 4.080 ASSI { 823} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.000 1.100 1.100 peak 823 weight .10000E+01 volume .24264E+00 ppm1 7.713 ppm2 3.365 ASSI { 824} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.000 1.100 1.100 peak 824 weight .10000E+01 volume .22397E+00 ppm1 7.711 ppm2 2.935 ASSI { 825} (( segid " " and resid 10 and name HN )) ( segid " " and resid 31 and name HD1%) 3.400 1.400 1.400 peak 825 weight .10000E+01 volume .96570E-01 ppm1 7.712 ppm2 .145 ASSI { 828} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HN )) 2.900 1.100 1.100 peak 828 weight .10000E+01 volume .25012E+00 ppm1 7.663 ppm2 7.079 ASSI { 831} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.700 .900 .900 peak 831 weight .10000E+01 volume .37766E+00 ppm1 7.665 ppm2 4.403 ASSI { 833} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA2 )) 2.900 1.100 1.100 peak 833 weight .10000E+01 volume .25126E+00 ppm1 7.666 ppm2 3.953 ASSI { 834} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HA )) 2.900 1.100 1.100 peak 834 weight .10000E+01 volume .28330E+00 ppm1 7.663 ppm2 3.794 ASSI { 835} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA1 )) 3.000 1.100 1.100 peak 835 weight .10000E+01 volume .23304E+00 ppm1 7.664 ppm2 3.283 ASSI { 836} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HG2 )) 3.500 1.500 1.500 peak 836 weight .10000E+01 volume .92340E-01 ppm1 7.662 ppm2 2.514 ASSI { 837} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.800 1.000 1.000 peak 837 weight .10000E+01 volume .35300E+00 ppm1 7.662 ppm2 2.082 ASSI { 839} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) 2.800 1.000 1.000 peak 839 weight .10000E+01 volume .36842E+00 ppm1 7.663 ppm2 1.286 ASSI { 840} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG )) 2.800 2.800 1.700 peak 840 weight .10000E+01 volume .36299E+00 ppm1 7.662 ppm2 1.107 ASSI { 841} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD1%) 2.800 1.000 1.000 peak 841 weight .10000E+01 volume .32523E+00 ppm1 7.662 ppm2 .917 ASSI { 842} (( segid " " and resid 28 and name HN )) ( segid " " and resid 34 and name HD2%) 3.500 1.500 1.500 peak 842 weight .10000E+01 volume .87230E-01 ppm1 7.664 ppm2 .431 ASSI { 874} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.500 .800 .800 peak 874 weight .10000E+01 volume .69368E+00 ppm1 8.305 ppm2 3.975 ASSI { 881} (( segid " " and resid 41 and name HN )) (( segid " " and resid 38 and name HN )) 2.900 1.100 1.100 peak 881 weight .10000E+01 volume .24571E+00 ppm1 8.017 ppm2 9.408 ASSI { 884} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 2.700 .900 .900 peak 884 weight .10000E+01 volume .43024E+00 ppm1 8.016 ppm2 7.858 ASSI { 885} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HN )) 3.300 1.400 1.400 peak 885 weight .10000E+01 volume .11582E+00 ppm1 8.019 ppm2 7.725 ASSI { 886} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.600 .800 .800 peak 886 weight .10000E+01 volume .51361E+00 ppm1 8.017 ppm2 4.411 ASSI { 887} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 3.400 1.400 1.400 peak 887 weight .10000E+01 volume .10524E+00 ppm1 8.016 ppm2 3.513 ASSI { 888} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.700 .900 .900 peak 888 weight .10000E+01 volume .43936E+00 ppm1 8.016 ppm2 3.224 ASSI { 889} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.700 .900 .900 peak 889 weight .10000E+01 volume .39287E+00 ppm1 8.016 ppm2 2.679 ASSI { 890} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HG2 )) 3.300 1.400 1.400 peak 890 weight .10000E+01 volume .12370E+00 ppm1 8.017 ppm2 2.369 ASSI { 892} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.700 .900 .900 peak 892 weight .10000E+01 volume .42188E+00 ppm1 8.017 ppm2 1.995 ASSI { 893} (( segid " " and resid 41 and name HN )) ( segid " " and resid 38 and name HG2%) 3.100 3.100 1.400 peak 893 weight .10000E+01 volume .16912E+00 ppm1 8.017 ppm2 1.418 ASSI { 894} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HG )) 3.500 1.500 1.500 peak 894 weight .10000E+01 volume .89750E-01 ppm1 8.018 ppm2 1.218 ASSI { 896} (( segid " " and resid 41 and name HN )) ( segid " " and resid 37 and name HD1%) 3.000 1.100 1.100 peak 896 weight .10000E+01 volume .23313E+00 ppm1 8.016 ppm2 .963 ASSI { 897} (( segid " " and resid 41 and name HN )) ( segid " " and resid 39 and name HG2%) 3.300 1.400 1.400 peak 897 weight .10000E+01 volume .11662E+00 ppm1 8.015 ppm2 .610 ASSI { 970} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 3.400 1.400 1.400 peak 970 weight .10000E+01 volume .10542E+00 ppm1 8.381 ppm2 8.086 ASSI { 977} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.100 1.200 1.200 peak 977 weight .10000E+01 volume .19797E+00 ppm1 8.382 ppm2 3.095 ASSI { 978} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.200 1.300 1.300 peak 978 weight .10000E+01 volume .16370E+00 ppm1 8.381 ppm2 2.993 ASSI { 979} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 979 weight .10000E+01 volume .20597E+00 ppm1 8.382 ppm2 2.652 ASSI { 980} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 980 weight .10000E+01 volume .35052E+00 ppm1 8.382 ppm2 2.494 ASSI { 1040} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.000 1.100 1.100 peak 1040 weight .10000E+01 volume .21496E+00 ppm1 8.858 ppm2 3.692 ASSI { 1042} (( segid " " and resid 56 and name HN )) (( segid " " and resid 42 and name HG )) 2.800 1.000 1.000 peak 1042 weight .10000E+01 volume .36159E+00 ppm1 8.858 ppm2 1.205 ASSI { 1045} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HE3 )) 3.200 1.300 1.300 peak 1045 weight .10000E+01 volume .15559E+00 ppm1 8.856 ppm2 7.116 ASSI { 1055} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HN )) 2.700 .900 .900 peak 1055 weight .10000E+01 volume .38232E+00 ppm1 8.116 ppm2 8.855 ASSI { 1056} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 2.400 2.400 2.100 peak 1056 weight .10000E+01 volume .80022E+00 ppm1 8.117 ppm2 4.771 ASSI { 1057} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 2.900 1.100 1.100 peak 1057 weight .10000E+01 volume .25102E+00 ppm1 8.112 ppm2 3.959 ASSI { 1058} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.700 .900 .900 peak 1058 weight .10000E+01 volume .37772E+00 ppm1 8.115 ppm2 3.690 ASSI { 1060} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG12)) 2.600 .800 .800 peak 1060 weight .10000E+01 volume .46899E+00 ppm1 8.115 ppm2 2.124 OR { 1060} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG11)) ASSI { 1061} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB )) 2.500 .800 .800 peak 1061 weight .10000E+01 volume .67370E+00 ppm1 8.116 ppm2 1.994 ASSI { 1063} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HG2%) 2.800 1.000 1.000 peak 1063 weight .10000E+01 volume .31666E+00 ppm1 8.115 ppm2 1.358 ASSI { 1066} (( segid " " and resid 55 and name HN )) ( segid " " and resid 14 and name HD1%) 3.100 1.200 1.200 peak 1066 weight .10000E+01 volume .17748E+00 ppm1 8.114 ppm2 .294 OR { 1066} (( segid " " and resid 55 and name HN )) ( segid " " and resid 14 and name HD2%) ASSI { 1069} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 1069 weight .10000E+01 volume .34023E+00 ppm1 7.610 ppm2 8.482 ASSI { 1071} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.700 .900 .900 peak 1071 weight .10000E+01 volume .37645E+00 ppm1 7.608 ppm2 3.697 ASSI { 1072} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG11)) 2.500 2.500 2.000 peak 1072 weight .10000E+01 volume .59482E+00 ppm1 7.608 ppm2 1.759 OR { 1072} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG12)) ASSI { 1074} (( segid " " and resid 20 and name HN )) ( segid " " and resid 23 and name HD% ) 3.300 1.400 1.400 peak 1074 weight .10000E+01 volume .12258E+00 ppm1 7.606 ppm2 7.389 OR { 1074} (( segid " " and resid 20 and name HN )) (( segid " " and resid 23 and name HN )) ASSI { 1075} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.900 1.100 1.100 peak 1075 weight .10000E+01 volume .28518E+00 ppm1 7.607 ppm2 4.784 ASSI { 1076} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.300 1.400 1.400 peak 1076 weight .10000E+01 volume .13385E+00 ppm1 7.606 ppm2 4.086 ASSI { 1077} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.200 1.300 1.300 peak 1077 weight .10000E+01 volume .14771E+00 ppm1 7.606 ppm2 3.090 ASSI { 1078} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB )) 2.300 .700 .700 peak 1078 weight .10000E+01 volume .10473E+01 ppm1 7.607 ppm2 1.923 ASSI { 1079} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD1%) 2.400 2.400 2.100 peak 1079 weight .10000E+01 volume .84990E+00 ppm1 7.607 ppm2 1.008 ASSI { 1080} (( segid " " and resid 20 and name HN )) ( segid " " and resid 11 and name HD1%) 3.300 1.400 1.400 peak 1080 weight .10000E+01 volume .11508E+00 ppm1 7.607 ppm2 .740 ASSI { 1142} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.800 1.000 1.000 peak 1142 weight .10000E+01 volume .33437E+00 ppm1 8.857 ppm2 9.115 ASSI { 1146} (( segid " " and resid 56 and name HN )) ( segid " " and resid 42 and name HD2%) 2.700 .900 .900 peak 1146 weight .10000E+01 volume .42365E+00 ppm1 8.857 ppm2 1.087 ASSI { 1150} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.800 1.000 1.000 peak 1150 weight .10000E+01 volume .35910E+00 ppm1 8.856 ppm2 4.239 ASSI { 1151} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.600 .800 .800 peak 1151 weight .10000E+01 volume .53433E+00 ppm1 8.856 ppm2 3.515 ASSI { 1152} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB1 )) 2.600 .800 .800 peak 1152 weight .10000E+01 volume .50919E+00 ppm1 8.857 ppm2 3.263 ASSI { 1154} (( segid " " and resid 56 and name HN )) ( segid " " and resid 39 and name HD1%) 3.200 1.300 1.300 peak 1154 weight .10000E+01 volume .15265E+00 ppm1 8.857 ppm2 .387 ASSI { 1157} (( segid " " and resid 39 and name HN )) (( segid " " and resid 56 and name HE3 )) 3.300 1.400 1.400 peak 1157 weight .10000E+01 volume .13295E+00 ppm1 8.241 ppm2 7.107 OR { 1157} (( segid " " and resid 39 and name HN )) (( segid " " and resid 56 and name HZ2 )) OR { 1157} (( segid " " and resid 39 and name HN )) (( segid " " and resid 56 and name HZ3 )) ASSI { 1158} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 1158 weight .10000E+01 volume .32738E+00 ppm1 8.241 ppm2 3.511 ASSI { 1160} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) 2.700 .900 .900 peak 1160 weight .10000E+01 volume .41752E+00 ppm1 8.241 ppm2 1.415 ASSI { 1161} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB )) 2.600 .800 .800 peak 1161 weight .10000E+01 volume .57946E+00 ppm1 8.241 ppm2 .989 ASSI { 1162} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG12)) 2.800 2.800 1.700 peak 1162 weight .10000E+01 volume .32347E+00 ppm1 8.240 ppm2 .758 ASSI { 1163} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) 2.500 .800 .800 peak 1163 weight .10000E+01 volume .66934E+00 ppm1 8.240 ppm2 .603 ASSI { 1164} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD1%) 3.000 1.100 1.100 peak 1164 weight .10000E+01 volume .20045E+00 ppm1 8.240 ppm2 .390 ASSI { 1167} ( segid " " and resid 1 and name HT% ) ( segid " " and resid 1 and name HD% ) 2.900 1.100 1.100 peak 1167 weight .10000E+01 volume .26577E+00 ppm1 8.043 ppm2 7.070 ASSI { 1168} ( segid " " and resid 1 and name HT% ) (( segid " " and resid 1 and name HA )) 2.900 1.100 1.100 peak 1168 weight .10000E+01 volume .27104E+00 ppm1 8.043 ppm2 4.571 ASSI { 1172} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) 2.700 .900 .900 peak 1172 weight .10000E+01 volume .43782E+00 ppm1 7.513 ppm2 8.277 ASSI { 1174} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 2.700 .900 .900 peak 1174 weight .10000E+01 volume .40519E+00 ppm1 7.513 ppm2 4.967 ASSI { 1175} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.700 .900 .900 peak 1175 weight .10000E+01 volume .41034E+00 ppm1 7.513 ppm2 4.709 ASSI { 1176} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 1176 weight .10000E+01 volume .24275E+00 ppm1 7.513 ppm2 4.247 ASSI { 1177} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 1177 weight .10000E+01 volume .15693E+00 ppm1 7.513 ppm2 3.800 ASSI { 1179} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.200 1.300 1.300 peak 1179 weight .10000E+01 volume .14481E+00 ppm1 7.513 ppm2 3.022 ASSI { 1180} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 1180 weight .10000E+01 volume .21616E+00 ppm1 7.512 ppm2 2.674 ASSI { 1181} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.200 .600 .600 peak 1181 weight .10000E+01 volume .13240E+01 ppm1 7.513 ppm2 1.997 ASSI { 1182} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.700 .900 .900 peak 1182 weight .10000E+01 volume .43810E+00 ppm1 7.514 ppm2 1.593 ASSI { 1183} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.400 1.400 1.400 peak 1183 weight .10000E+01 volume .10471E+00 ppm1 7.513 ppm2 1.410 ASSI { 1186} (( segid " " and resid 37 and name HN )) ( segid " " and resid 59 and name HD1%) 3.400 1.400 1.400 peak 1186 weight .10000E+01 volume .11179E+00 ppm1 7.510 ppm2 .444 ASSI { 1228} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HN )) 3.500 1.500 1.500 peak 1228 weight .10000E+01 volume .80450E-01 ppm1 8.240 ppm2 8.014 ASSI { 1229} ( segid " " and resid 1 and name HT% ) (( segid " " and resid 1 and name HB1 )) 2.900 1.100 1.100 peak 1229 weight .10000E+01 volume .26829E+00 ppm1 8.043 ppm2 2.833 ASSI { 1233} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 3.000 1.100 1.100 peak 1233 weight .10000E+01 volume .21598E+00 ppm1 7.332 ppm2 8.372 ASSI { 1234} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.900 1.100 1.100 peak 1234 weight .10000E+01 volume .28256E+00 ppm1 7.332 ppm2 7.450 ASSI { 1236} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HD% ) 2.700 2.700 1.800 peak 1236 weight .10000E+01 volume .37554E+00 ppm1 7.332 ppm2 6.919 ASSI { 1237} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 2.500 2.000 peak 1237 weight .10000E+01 volume .65319E+00 ppm1 7.331 ppm2 4.776 ASSI { 1238} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.700 .900 .900 peak 1238 weight .10000E+01 volume .39973E+00 ppm1 7.331 ppm2 4.088 ASSI { 1239} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 1239 weight .10000E+01 volume .20073E+00 ppm1 7.331 ppm2 3.868 ASSI { 1241} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.700 .900 .900 peak 1241 weight .10000E+01 volume .43273E+00 ppm1 7.332 ppm2 2.892 ASSI { 1242} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 2.700 .900 .900 peak 1242 weight .10000E+01 volume .44557E+00 ppm1 7.331 ppm2 2.716 ASSI { 1243} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB )) 3.200 1.300 1.300 peak 1243 weight .10000E+01 volume .15576E+00 ppm1 7.330 ppm2 1.299 ASSI { 1244} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG12)) 3.200 1.300 1.300 peak 1244 weight .10000E+01 volume .16339E+00 ppm1 7.332 ppm2 .804 OR { 1244} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG11)) ASSI { 1245} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HG2%) 2.600 .800 .800 peak 1245 weight .10000E+01 volume .49628E+00 ppm1 7.331 ppm2 .358 ASSI { 1293} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.400 .700 .700 peak 1293 weight .10000E+01 volume .90213E+00 ppm1 7.875 ppm2 4.457 ASSI { 1294} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.200 .600 .600 peak 1294 weight .10000E+01 volume .14970E+01 ppm1 7.875 ppm2 2.744 OR { 1294} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB1 )) ASSI { 1298} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.700 .900 .900 peak 1298 weight .10000E+01 volume .40679E+00 ppm1 7.430 ppm2 4.457 ASSI { 1299} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.300 .700 .700 peak 1299 weight .10000E+01 volume .97075E+00 ppm1 7.431 ppm2 4.142 ASSI { 1300} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 1300 weight .10000E+01 volume .17401E+00 ppm1 7.431 ppm2 3.715 ASSI { 1302} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG )) 2.100 .600 .600 peak 1302 weight .10000E+01 volume .18211E+01 ppm1 7.431 ppm2 1.745 ASSI { 1303} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.400 .700 .700 peak 1303 weight .10000E+01 volume .92008E+00 ppm1 7.431 ppm2 1.497 ASSI { 1304} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HD2%) 2.600 .800 .800 peak 1304 weight .10000E+01 volume .48809E+00 ppm1 7.431 ppm2 .634 ASSI { 1305} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HD1%) 2.700 2.700 1.800 peak 1305 weight .10000E+01 volume .39554E+00 ppm1 7.430 ppm2 .527 ASSI { 1344} (( segid " " and resid 61 and name HN )) ( segid " " and resid 62 and name HD2%) 3.300 1.400 1.400 peak 1344 weight .10000E+01 volume .12570E+00 ppm1 7.865 ppm2 .636 ASSI { 1356} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HN )) 2.900 1.100 1.100 peak 1356 weight .10000E+01 volume .26256E+00 ppm1 7.840 ppm2 7.948 ASSI { 1389} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HE21)) 3.000 1.100 1.100 peak 1389 weight .10000E+01 volume .22573E+00 ppm1 7.863 ppm2 5.969 ASSI { 1390} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 1390 weight .10000E+01 volume .21922E+00 ppm1 7.860 ppm2 3.945 ASSI { 1392} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG2 )) 2.500 .800 .800 peak 1392 weight .10000E+01 volume .65246E+00 ppm1 7.862 ppm2 1.464 ASSI { 1394} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HD2%) 3.100 1.200 1.200 peak 1394 weight .10000E+01 volume .17375E+00 ppm1 7.863 ppm2 .471 OR { 1394} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HD1%) ASSI { 1400} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.300 2.300 2.200 peak 1400 weight .10000E+01 volume .10096E+01 ppm1 7.845 ppm2 4.127 ASSI { 1401} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG2 )) 2.500 .800 .800 peak 1401 weight .10000E+01 volume .73993E+00 ppm1 7.844 ppm2 2.383 OR { 1401} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG1 )) ASSI { 1402} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 2.500 .800 .800 peak 1402 weight .10000E+01 volume .66838E+00 ppm1 7.843 ppm2 2.117 ASSI { 1403} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) 2.200 2.200 2.300 peak 1403 weight .10000E+01 volume .12667E+01 ppm1 7.846 ppm2 1.994 ASSI { 1405} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HD2 )) 3.200 1.300 1.300 peak 1405 weight .10000E+01 volume .13815E+00 ppm1 7.849 ppm2 1.613 OR { 1405} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HD1 )) ASSI { 1413} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) 3.300 1.400 1.400 peak 1413 weight .10000E+01 volume .13112E+00 ppm1 7.673 ppm2 4.456 ASSI { 1414} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.300 .700 .700 peak 1414 weight .10000E+01 volume .11915E+01 ppm1 7.673 ppm2 4.124 ASSI { 1415} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 1415 weight .10000E+01 volume .23134E+00 ppm1 7.672 ppm2 3.713 ASSI { 1416} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HE1 )) 3.500 1.500 1.500 peak 1416 weight .10000E+01 volume .88300E-01 ppm1 7.673 ppm2 2.923 OR { 1416} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HE2 )) ASSI { 1417} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.500 1.500 1.500 peak 1417 weight .10000E+01 volume .91610E-01 ppm1 7.674 ppm2 2.749 OR { 1417} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 1418} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 2.300 .700 .700 peak 1418 weight .10000E+01 volume .11919E+01 ppm1 7.674 ppm2 1.784 ASSI { 1419} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.400 .700 .700 peak 1419 weight .10000E+01 volume .91501E+00 ppm1 7.674 ppm2 1.503 ASSI { 1421} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HD2%) 3.000 1.100 1.100 peak 1421 weight .10000E+01 volume .21264E+00 ppm1 7.673 ppm2 .633 ASSI { 1422} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HD1%) 3.300 1.400 1.400 peak 1422 weight .10000E+01 volume .13581E+00 ppm1 7.674 ppm2 .527 ASSI { 1425} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HG1%) 2.500 .800 .800 peak 1425 weight .10000E+01 volume .61426E+00 ppm1 7.623 ppm2 .980 ASSI { 1427} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB )) 2.900 1.100 1.100 peak 1427 weight .10000E+01 volume .29763E+00 ppm1 7.620 ppm2 2.118 ASSI { 1431} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 1431 weight .10000E+01 volume .17398E+00 ppm1 7.605 ppm2 4.977 ASSI { 1433} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.700 .900 .900 peak 1433 weight .10000E+01 volume .43152E+00 ppm1 7.605 ppm2 3.750 ASSI { 1434} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) 2.800 1.000 1.000 peak 1434 weight .10000E+01 volume .32515E+00 ppm1 7.604 ppm2 3.541 ASSI { 1435} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD1 )) 3.100 1.200 1.200 peak 1435 weight .10000E+01 volume .17788E+00 ppm1 7.605 ppm2 3.122 OR { 1435} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD2 )) ASSI { 1436} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.200 1.300 1.300 peak 1436 weight .10000E+01 volume .16358E+00 ppm1 7.606 ppm2 2.461 ASSI { 1437} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HG1 )) 3.400 1.400 1.400 peak 1437 weight .10000E+01 volume .98960E-01 ppm1 7.605 ppm2 2.255 OR { 1437} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HG2 )) ASSI { 1438} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.500 .800 .800 peak 1438 weight .10000E+01 volume .59062E+00 ppm1 7.606 ppm2 1.966 ASSI { 1439} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.400 .700 .700 peak 1439 weight .10000E+01 volume .75668E+00 ppm1 7.605 ppm2 1.819 ASSI { 1440} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 1440 weight .10000E+01 volume .34148E+00 ppm1 7.606 ppm2 1.276 OR { 1440} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG2 )) ASSI { 1443} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HA1 )) 3.300 1.400 1.400 peak 1443 weight .10000E+01 volume .13258E+00 ppm1 7.124 ppm2 3.717 ASSI { 1444} (( segid " " and resid 47 and name HN )) ( segid " " and resid 47 and name HG2%) 2.700 2.700 1.800 peak 1444 weight .10000E+01 volume .42635E+00 ppm1 7.124 ppm2 .951 ASSI { 1445} (( segid " " and resid 47 and name HN )) ( segid " " and resid 45 and name HD1%) 3.400 1.400 1.400 peak 1445 weight .10000E+01 volume .10113E+00 ppm1 7.124 ppm2 .760 ASSI { 1446} (( segid " " and resid 47 and name HN )) ( segid " " and resid 47 and name HD1%) 2.700 .900 .900 peak 1446 weight .10000E+01 volume .39126E+00 ppm1 7.125 ppm2 .332 ASSI { 1449} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HA )) 3.200 1.300 1.300 peak 1449 weight .10000E+01 volume .13739E+00 ppm1 7.123 ppm2 4.191 ASSI { 1451} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.800 1.000 1.000 peak 1451 weight .10000E+01 volume .30262E+00 ppm1 7.123 ppm2 3.189 ASSI { 1452} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB )) 2.400 .700 .700 peak 1452 weight .10000E+01 volume .74975E+00 ppm1 7.123 ppm2 1.511 ASSI { 1454} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG11)) 2.300 .700 .700 peak 1454 weight .10000E+01 volume .97317E+00 ppm1 7.123 ppm2 1.123 OR { 1454} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG12)) ASSI { 1477} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.100 1.200 1.200 peak 1477 weight .10000E+01 volume .19152E+00 ppm1 8.903 ppm2 4.193 OR { 1477} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 1478} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.700 .900 .900 peak 1478 weight .10000E+01 volume .43318E+00 ppm1 8.901 ppm2 3.959 ASSI { 1479} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB )) 2.900 1.100 1.100 peak 1479 weight .10000E+01 volume .27040E+00 ppm1 8.902 ppm2 2.110 ASSI { 1480} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HG2%) 3.000 1.100 1.100 peak 1480 weight .10000E+01 volume .23780E+00 ppm1 8.902 ppm2 .956 OR { 1480} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HG1%) ASSI { 1495} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HG2 )) 2.900 1.100 1.100 peak 1495 weight .10000E+01 volume .29729E+00 ppm1 8.324 ppm2 2.262 ASSI { 1496} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HG1 )) 3.100 1.200 1.200 peak 1496 weight .10000E+01 volume .19311E+00 ppm1 8.324 ppm2 2.145 ASSI { 1497} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.000 1.100 1.100 peak 1497 weight .10000E+01 volume .22097E+00 ppm1 8.325 ppm2 1.937 OR { 1497} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) ASSI { 1499} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD1%) 3.100 1.200 1.200 peak 1499 weight .10000E+01 volume .17333E+00 ppm1 8.323 ppm2 .925 OR { 1499} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD2%) ASSI { 1502} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 1502 weight .10000E+01 volume .22898E+00 ppm1 8.102 ppm2 4.643 ASSI { 1503} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA1 )) 2.700 .900 .900 peak 1503 weight .10000E+01 volume .39170E+00 ppm1 8.102 ppm2 3.910 OR { 1503} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA2 )) ASSI { 1504} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.100 1.200 1.200 peak 1504 weight .10000E+01 volume .17542E+00 ppm1 8.101 ppm2 3.096 ASSI { 1505} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.000 1.100 1.100 peak 1505 weight .10000E+01 volume .20667E+00 ppm1 8.102 ppm2 2.990 ASSI { 1508} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 1508 weight .10000E+01 volume .19202E+00 ppm1 8.040 ppm2 4.978 ASSI { 1509} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.300 2.300 2.200 peak 1509 weight .10000E+01 volume .11010E+01 ppm1 8.041 ppm2 4.769 ASSI { 1510} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB )) 2.500 .800 .800 peak 1510 weight .10000E+01 volume .71621E+00 ppm1 8.041 ppm2 4.326 ASSI { 1511} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.500 .800 .800 peak 1511 weight .10000E+01 volume .66028E+00 ppm1 8.040 ppm2 3.953 ASSI { 1514} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) 3.200 1.300 1.300 peak 1514 weight .10000E+01 volume .15106E+00 ppm1 8.042 ppm2 2.712 OR { 1514} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 1517} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HG2%) 2.700 2.700 1.800 peak 1517 weight .10000E+01 volume .43797E+00 ppm1 8.041 ppm2 1.358 ASSI { 1524} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 3.100 1.200 1.200 peak 1524 weight .10000E+01 volume .18918E+00 ppm1 7.389 ppm2 4.418 ASSI { 1525} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.900 1.100 1.100 peak 1525 weight .10000E+01 volume .26534E+00 ppm1 7.391 ppm2 4.243 ASSI { 1526} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 1526 weight .10000E+01 volume .12860E+00 ppm1 7.390 ppm2 3.795 ASSI { 1528} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.000 1.100 1.100 peak 1528 weight .10000E+01 volume .21980E+00 ppm1 7.393 ppm2 3.284 OR { 1528} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) ASSI { 1531} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.800 1.000 1.000 peak 1531 weight .10000E+01 volume .32824E+00 ppm1 7.391 ppm2 1.684 ASSI { 1532} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG )) 2.900 1.100 1.100 peak 1532 weight .10000E+01 volume .27308E+00 ppm1 7.390 ppm2 1.551 ASSI { 1533} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 2.700 .900 .900 peak 1533 weight .10000E+01 volume .42165E+00 ppm1 7.392 ppm2 1.390 ASSI { 1536} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD2%) 2.600 .800 .800 peak 1536 weight .10000E+01 volume .53039E+00 ppm1 7.391 ppm2 .437 ASSI { 1537} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD1%) 2.800 1.000 1.000 peak 1537 weight .10000E+01 volume .30115E+00 ppm1 7.390 ppm2 .165 ASSI { 1538} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 3.100 1.200 1.200 peak 1538 weight .10000E+01 volume .16485E+00 ppm1 7.172 ppm2 8.633 ASSI { 1539} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 2.700 .900 .900 peak 1539 weight .10000E+01 volume .40219E+00 ppm1 7.176 ppm2 8.483 ASSI { 1541} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 1541 weight .10000E+01 volume .22328E+00 ppm1 7.173 ppm2 4.534 ASSI { 1542} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.600 .800 .800 peak 1542 weight .10000E+01 volume .53953E+00 ppm1 7.172 ppm2 4.141 ASSI { 1543} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 1543 weight .10000E+01 volume .17965E+00 ppm1 7.174 ppm2 3.675 ASSI { 1544} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.600 2.600 1.900 peak 1544 weight .10000E+01 volume .48003E+00 ppm1 7.173 ppm2 2.817 ASSI { 1545} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.500 .800 .800 peak 1545 weight .10000E+01 volume .58997E+00 ppm1 7.172 ppm2 2.487 ASSI { 1546} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG2 )) 3.200 1.300 1.300 peak 1546 weight .10000E+01 volume .14728E+00 ppm1 7.172 ppm2 2.115 ASSI { 1547} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG1 )) 3.200 1.300 1.300 peak 1547 weight .10000E+01 volume .16077E+00 ppm1 7.174 ppm2 2.046 ASSI { 1548} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 2.700 .900 .900 peak 1548 weight .10000E+01 volume .40953E+00 ppm1 7.171 ppm2 1.841 ASSI { 1561} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.700 .900 .900 peak 1561 weight .10000E+01 volume .38455E+00 ppm1 7.084 ppm2 4.554 ASSI { 1562} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HA )) 3.400 1.400 1.400 peak 1562 weight .10000E+01 volume .10874E+00 ppm1 7.084 ppm2 4.424 ASSI { 1563} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.900 1.100 1.100 peak 1563 weight .10000E+01 volume .29055E+00 ppm1 7.086 ppm2 3.949 ASSI { 1564} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) 3.200 1.300 1.300 peak 1564 weight .10000E+01 volume .13948E+00 ppm1 7.086 ppm2 3.803 ASSI { 1565} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HA1 )) 3.400 1.400 1.400 peak 1565 weight .10000E+01 volume .10459E+00 ppm1 7.088 ppm2 3.270 ASSI { 1566} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG2 )) 2.600 .800 .800 peak 1566 weight .10000E+01 volume .52447E+00 ppm1 7.085 ppm2 2.509 ASSI { 1567} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG1 )) 2.800 1.000 1.000 peak 1567 weight .10000E+01 volume .31109E+00 ppm1 7.085 ppm2 2.334 ASSI { 1568} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.700 .900 .900 peak 1568 weight .10000E+01 volume .40881E+00 ppm1 7.086 ppm2 1.757 OR { 1568} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 1581} (( segid " " and resid 57 and name HN )) (( segid " " and resid 59 and name HN )) 3.500 1.500 1.500 peak 1581 weight .10000E+01 volume .84540E-01 ppm1 9.117 ppm2 8.553 ASSI { 1583} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HD1 )) 3.300 1.400 1.400 peak 1583 weight .10000E+01 volume .13637E+00 ppm1 9.117 ppm2 7.511 ASSI { 1584} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HE3 )) 3.400 1.400 1.400 peak 1584 weight .10000E+01 volume .11202E+00 ppm1 9.116 ppm2 7.112 ASSI { 1585} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HA )) 3.100 1.200 1.200 peak 1585 weight .10000E+01 volume .16990E+00 ppm1 9.115 ppm2 4.735 ASSI { 1586} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.300 1.400 1.400 peak 1586 weight .10000E+01 volume .12127E+00 ppm1 9.116 ppm2 4.235 ASSI { 1587} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.300 1.400 1.400 peak 1587 weight .10000E+01 volume .11799E+00 ppm1 9.116 ppm2 3.956 ASSI { 1588} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 2.700 .900 .900 peak 1588 weight .10000E+01 volume .41769E+00 ppm1 9.116 ppm2 3.684 ASSI { 1589} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.000 1.100 1.100 peak 1589 weight .10000E+01 volume .24356E+00 ppm1 9.119 ppm2 3.516 ASSI { 1591} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG2 )) 2.400 .700 .700 peak 1591 weight .10000E+01 volume .85352E+00 ppm1 9.117 ppm2 1.995 ASSI { 1592} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG1 )) 2.800 1.000 1.000 peak 1592 weight .10000E+01 volume .31130E+00 ppm1 9.116 ppm2 1.813 ASSI { 1597} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HN )) 3.600 1.600 1.600 peak 1597 weight .10000E+01 volume .78060E-01 ppm1 8.489 ppm2 7.739 ASSI { 1599} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HN )) 3.200 1.300 1.300 peak 1599 weight .10000E+01 volume .14124E+00 ppm1 8.486 ppm2 7.389 ASSI { 1601} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.700 .900 .900 peak 1601 weight .10000E+01 volume .43787E+00 ppm1 8.487 ppm2 4.539 ASSI { 1602} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 1602 weight .10000E+01 volume .16773E+00 ppm1 8.487 ppm2 3.686 ASSI { 1603} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) 2.900 1.100 1.100 peak 1603 weight .10000E+01 volume .27688E+00 ppm1 8.488 ppm2 2.137 ASSI { 1604} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG1 )) 2.800 1.000 1.000 peak 1604 weight .10000E+01 volume .32312E+00 ppm1 8.487 ppm2 2.040 ASSI { 1605} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.300 .700 .700 peak 1605 weight .10000E+01 volume .10831E+01 ppm1 8.487 ppm2 1.879 ASSI { 1606} (( segid " " and resid 21 and name HN )) ( segid " " and resid 24 and name HG2%) 3.400 1.400 1.400 peak 1606 weight .10000E+01 volume .96540E-01 ppm1 8.486 ppm2 1.294 ASSI { 1607} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HG2%) 2.600 .800 .800 peak 1607 weight .10000E+01 volume .53754E+00 ppm1 8.487 ppm2 .956 ASSI { 1613} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.700 .900 .900 peak 1613 weight .10000E+01 volume .39906E+00 ppm1 8.243 ppm2 7.080 ASSI { 1615} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HA )) 3.000 3.000 1.500 peak 1615 weight .10000E+01 volume .23623E+00 ppm1 8.242 ppm2 4.539 ASSI { 1616} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.600 .800 .800 peak 1616 weight .10000E+01 volume .56782E+00 ppm1 8.243 ppm2 3.941 ASSI { 1620} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA )) 3.500 1.500 1.500 peak 1620 weight .10000E+01 volume .89350E-01 ppm1 7.392 ppm2 4.087 ASSI { 1637} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 1637 weight .10000E+01 volume .32741E+00 ppm1 8.243 ppm2 8.628 ASSI { 1638} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HN )) 3.200 1.300 1.300 peak 1638 weight .10000E+01 volume .14288E+00 ppm1 8.242 ppm2 7.390 ASSI { 1640} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HG2 )) 3.400 1.400 1.400 peak 1640 weight .10000E+01 volume .97820E-01 ppm1 8.242 ppm2 2.499 ASSI { 1641} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG2%) 3.000 1.100 1.100 peak 1641 weight .10000E+01 volume .20552E+00 ppm1 8.242 ppm2 1.294 ASSI { 1642} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HN )) 3.400 1.400 1.400 peak 1642 weight .10000E+01 volume .99930E-01 ppm1 7.862 ppm2 9.407 ASSI { 1644} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HN )) 3.600 1.600 1.600 peak 1644 weight .10000E+01 volume .79950E-01 ppm1 7.862 ppm2 7.545 ASSI { 1645} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 1645 weight .10000E+01 volume .15354E+00 ppm1 7.859 ppm2 4.402 ASSI { 1646} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 1646 weight .10000E+01 volume .31450E+00 ppm1 7.859 ppm2 4.043 ASSI { 1647} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HA )) 2.900 1.100 1.100 peak 1647 weight .10000E+01 volume .24927E+00 ppm1 7.861 ppm2 3.512 ASSI { 1648} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.900 1.100 1.100 peak 1648 weight .10000E+01 volume .24668E+00 ppm1 7.861 ppm2 3.218 ASSI { 1649} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.100 1.200 1.200 peak 1649 weight .10000E+01 volume .18850E+00 ppm1 7.860 ppm2 2.675 ASSI { 1650} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.300 .700 .700 peak 1650 weight .10000E+01 volume .10492E+01 ppm1 7.862 ppm2 2.154 OR { 1650} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 1652} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG )) 2.600 .800 .800 peak 1652 weight .10000E+01 volume .57648E+00 ppm1 7.861 ppm2 1.219 ASSI { 1653} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HD1%) 2.700 .900 .900 peak 1653 weight .10000E+01 volume .45710E+00 ppm1 7.860 ppm2 1.089 ASSI { 1655} (( segid " " and resid 42 and name HN )) ( segid " " and resid 39 and name HG2%) 3.400 1.400 1.400 peak 1655 weight .10000E+01 volume .10264E+00 ppm1 7.861 ppm2 .605 ASSI { 1656} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HN )) 3.500 1.500 1.500 peak 1656 weight .10000E+01 volume .82500E-01 ppm1 7.857 ppm2 8.292 ASSI { 1658} (( segid " " and resid 42 and name HN )) ( segid " " and resid 39 and name HD1%) 3.500 1.500 1.500 peak 1658 weight .10000E+01 volume .94030E-01 ppm1 7.855 ppm2 .367 ASSI { 1660} (( segid " " and resid 51 and name HN )) ( segid " " and resid 55 and name HD1%) 3.400 1.400 1.400 peak 1660 weight .10000E+01 volume .11355E+00 ppm1 7.688 ppm2 1.113 ASSI { 1664} (( segid " " and resid 45 and name HN )) (( segid " " and resid 47 and name HN )) 3.200 1.300 1.300 peak 1664 weight .10000E+01 volume .14063E+00 ppm1 7.550 ppm2 7.120 ASSI { 1665} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HA )) 3.500 1.500 1.500 peak 1665 weight .10000E+01 volume .95290E-01 ppm1 7.549 ppm2 4.415 ASSI { 1666} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.400 .700 .700 peak 1666 weight .10000E+01 volume .74908E+00 ppm1 7.551 ppm2 4.198 ASSI { 1667} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 1667 weight .10000E+01 volume .19929E+00 ppm1 7.549 ppm2 4.050 ASSI { 1669} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 2.500 .800 .800 peak 1669 weight .10000E+01 volume .64902E+00 ppm1 7.551 ppm2 1.848 ASSI { 1670} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.600 .800 .800 peak 1670 weight .10000E+01 volume .56168E+00 ppm1 7.550 ppm2 1.774 ASSI { 1671} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) 2.500 .800 .800 peak 1671 weight .10000E+01 volume .70400E+00 ppm1 7.551 ppm2 1.577 ASSI { 1672} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.600 2.600 1.900 peak 1672 weight .10000E+01 volume .49447E+00 ppm1 7.550 ppm2 1.323 ASSI { 1674} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG )) 2.700 .900 .900 peak 1674 weight .10000E+01 volume .45482E+00 ppm1 7.552 ppm2 .856 ASSI { 1675} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 2.700 .900 .900 peak 1675 weight .10000E+01 volume .42180E+00 ppm1 7.551 ppm2 .757 ASSI { 1676} (( segid " " and resid 45 and name HN )) ( segid " " and resid 47 and name HD1%) 3.400 1.400 1.400 peak 1676 weight .10000E+01 volume .11378E+00 ppm1 7.553 ppm2 .337 ASSI { 1678} (( segid " " and resid 14 and name HN )) (( segid " " and resid 16 and name HN )) 3.000 1.100 1.100 peak 1678 weight .10000E+01 volume .24164E+00 ppm1 6.852 ppm2 8.124 ASSI { 1681} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.500 .800 .800 peak 1681 weight .10000E+01 volume .64037E+00 ppm1 6.852 ppm2 4.238 ASSI { 1682} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA2 )) 2.800 1.000 1.000 peak 1682 weight .10000E+01 volume .32772E+00 ppm1 6.852 ppm2 3.982 ASSI { 1684} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.500 .800 .800 peak 1684 weight .10000E+01 volume .61540E+00 ppm1 6.852 ppm2 1.572 ASSI { 1685} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.300 .700 .700 peak 1685 weight .10000E+01 volume .10035E+01 ppm1 6.852 ppm2 1.369 ASSI { 1686} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) 2.600 2.600 1.900 peak 1686 weight .10000E+01 volume .53544E+00 ppm1 6.851 ppm2 .643 ASSI { 1687} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD2%) 2.700 .900 .900 peak 1687 weight .10000E+01 volume .41322E+00 ppm1 6.852 ppm2 .289 OR { 1687} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 1690} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA )) 3.400 1.400 1.400 peak 1690 weight .10000E+01 volume .98200E-01 ppm1 8.445 ppm2 4.445 ASSI { 1704} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 3.200 1.300 1.300 peak 1704 weight .10000E+01 volume .14118E+00 ppm1 7.659 ppm2 4.126 ASSI { 1725} (( segid " " and resid 53 and name HN )) ( segid " " and resid 39 and name HD1%) 3.400 1.400 1.400 peak 1725 weight .10000E+01 volume .11170E+00 ppm1 8.780 ppm2 .384 ASSI { 1728} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 1728 weight .10000E+01 volume .30389E+00 ppm1 8.777 ppm2 7.602 ASSI { 1729} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.300 .700 .700 peak 1729 weight .10000E+01 volume .96670E+00 ppm1 8.777 ppm2 4.764 ASSI { 1730} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.100 1.200 1.200 peak 1730 weight .10000E+01 volume .16954E+00 ppm1 8.776 ppm2 3.748 ASSI { 1732} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HD1 )) 3.600 1.600 1.600 peak 1732 weight .10000E+01 volume .80030E-01 ppm1 8.778 ppm2 3.129 OR { 1732} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HD2 )) ASSI { 1733} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG1 )) 2.700 .900 .900 peak 1733 weight .10000E+01 volume .43611E+00 ppm1 8.778 ppm2 2.700 OR { 1733} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 1734} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.300 .700 .700 peak 1734 weight .10000E+01 volume .12102E+01 ppm1 8.777 ppm2 2.168 OR { 1734} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 1735} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.700 .900 .900 peak 1735 weight .10000E+01 volume .37715E+00 ppm1 8.777 ppm2 1.963 ASSI { 1736} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.800 1.000 1.000 peak 1736 weight .10000E+01 volume .31355E+00 ppm1 8.777 ppm2 1.813 ASSI { 1737} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG2 )) 3.400 1.400 1.400 peak 1737 weight .10000E+01 volume .11292E+00 ppm1 8.777 ppm2 1.271 OR { 1737} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 1742} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.700 .900 .900 peak 1742 weight .10000E+01 volume .42667E+00 ppm1 8.421 ppm2 4.252 ASSI { 1743} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB )) 2.800 1.000 1.000 peak 1743 weight .10000E+01 volume .32955E+00 ppm1 8.421 ppm2 3.658 ASSI { 1744} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HA )) 3.300 1.400 1.400 peak 1744 weight .10000E+01 volume .11670E+00 ppm1 8.422 ppm2 3.457 ASSI { 1745} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 1745 weight .10000E+01 volume .18086E+00 ppm1 8.422 ppm2 1.649 ASSI { 1746} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HG2%) 2.700 2.700 1.800 peak 1746 weight .10000E+01 volume .43913E+00 ppm1 8.422 ppm2 1.218 ASSI { 1747} (( segid " " and resid 12 and name HN )) ( segid " " and resid 20 and name HD1%) 3.300 1.400 1.400 peak 1747 weight .10000E+01 volume .12853E+00 ppm1 8.421 ppm2 1.013 ASSI { 1749} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HD1%) 3.400 1.400 1.400 peak 1749 weight .10000E+01 volume .11316E+00 ppm1 8.421 ppm2 .726 ASSI { 1753} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.100 1.200 1.200 peak 1753 weight .10000E+01 volume .18161E+00 ppm1 8.419 ppm2 1.379 ASSI { 1765} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 3.200 1.300 1.300 peak 1765 weight .10000E+01 volume .14490E+00 ppm1 7.690 ppm2 9.181 ASSI { 1766} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HD% ) 2.800 2.800 1.700 peak 1766 weight .10000E+01 volume .36794E+00 ppm1 7.688 ppm2 7.010 ASSI { 1768} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 1768 weight .10000E+01 volume .34504E+00 ppm1 7.687 ppm2 4.978 ASSI { 1771} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.700 .900 .900 peak 1771 weight .10000E+01 volume .45324E+00 ppm1 7.688 ppm2 2.468 ASSI { 1773} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 1773 weight .10000E+01 volume .21780E+00 ppm1 7.689 ppm2 1.966 ASSI { 1774} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB1 )) 2.800 1.000 1.000 peak 1774 weight .10000E+01 volume .32798E+00 ppm1 7.689 ppm2 1.583 ASSI { 1775} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG1 )) 2.900 2.900 1.600 peak 1775 weight .10000E+01 volume .29976E+00 ppm1 7.688 ppm2 1.317 ASSI { 1782} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HN )) 3.100 1.200 1.200 peak 1782 weight .10000E+01 volume .19004E+00 ppm1 7.453 ppm2 8.084 ASSI { 1784} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HN )) 2.900 1.100 1.100 peak 1784 weight .10000E+01 volume .26684E+00 ppm1 7.453 ppm2 7.152 ASSI { 1786} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 2.400 2.400 2.100 peak 1786 weight .10000E+01 volume .77632E+00 ppm1 7.453 ppm2 4.775 ASSI { 1787} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.600 .800 .800 peak 1787 weight .10000E+01 volume .57252E+00 ppm1 7.452 ppm2 4.423 ASSI { 1788} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 1788 weight .10000E+01 volume .20986E+00 ppm1 7.454 ppm2 4.091 ASSI { 1789} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 3.200 1.300 1.300 peak 1789 weight .10000E+01 volume .16128E+00 ppm1 7.455 ppm2 3.559 ASSI { 1790} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.500 .800 .800 peak 1790 weight .10000E+01 volume .67720E+00 ppm1 7.452 ppm2 3.289 ASSI { 1791} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.000 1.100 1.100 peak 1791 weight .10000E+01 volume .23298E+00 ppm1 7.453 ppm2 2.892 ASSI { 1792} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.000 1.100 1.100 peak 1792 weight .10000E+01 volume .22518E+00 ppm1 7.455 ppm2 2.725 ASSI { 1793} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HG )) 3.400 1.400 1.400 peak 1793 weight .10000E+01 volume .10499E+00 ppm1 7.460 ppm2 1.574 ASSI { 1795} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD2%) 3.100 1.200 1.200 peak 1795 weight .10000E+01 volume .18893E+00 ppm1 7.454 ppm2 .432 ASSI { 1798} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 1798 weight .10000E+01 volume .17145E+00 ppm1 7.447 ppm2 3.883 ASSI { 1799} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 1799 weight .10000E+01 volume .83030E-01 ppm1 7.447 ppm2 1.959 ASSI { 1800} (( segid " " and resid 33 and name HN )) ( segid " " and resid 28 and name HD1%) 3.100 3.100 1.400 peak 1800 weight .10000E+01 volume .17093E+00 ppm1 7.449 ppm2 .922 OR { 1800} (( segid " " and resid 33 and name HN )) ( segid " " and resid 28 and name HD2%) ASSI { 1809} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA1 )) 2.600 .800 .800 peak 1809 weight .10000E+01 volume .47758E+00 ppm1 6.851 ppm2 3.886 ASSI { 1810} (( segid " " and resid 14 and name HN )) ( segid " " and resid 12 and name HG2%) 3.400 1.400 1.400 peak 1810 weight .10000E+01 volume .96280E-01 ppm1 6.851 ppm2 1.229 ASSI { 1883} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.700 .900 .900 peak 1883 weight .10000E+01 volume .38715E+00 ppm1 9.180 ppm2 4.110 ASSI { 1884} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.500 1.500 1.500 peak 1884 weight .10000E+01 volume .81190E-01 ppm1 9.182 ppm2 3.546 ASSI { 1887} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 2.800 1.000 1.000 peak 1887 weight .10000E+01 volume .35655E+00 ppm1 9.179 ppm2 1.845 ASSI { 1888} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG2 )) 2.600 .800 .800 peak 1888 weight .10000E+01 volume .46778E+00 ppm1 9.180 ppm2 1.583 OR { 1888} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB1 )) ASSI { 1889} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG1 )) 3.000 1.100 1.100 peak 1889 weight .10000E+01 volume .23251E+00 ppm1 9.179 ppm2 1.323 ASSI { 1891} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.900 1.100 1.100 peak 1891 weight .10000E+01 volume .28293E+00 ppm1 8.615 ppm2 7.742 ASSI { 1892} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 1892 weight .10000E+01 volume .15579E+00 ppm1 8.615 ppm2 5.122 ASSI { 1893} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA )) 1.900 1.900 2.600 peak 1893 weight .10000E+01 volume .30090E+01 ppm1 8.615 ppm2 4.773 ASSI { 1894} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 1894 weight .10000E+01 volume .23608E+00 ppm1 8.615 ppm2 4.597 ASSI { 1895} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.500 1.500 1.500 peak 1895 weight .10000E+01 volume .80630E-01 ppm1 8.613 ppm2 4.087 ASSI { 1896} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HD2 )) 3.100 1.200 1.200 peak 1896 weight .10000E+01 volume .16941E+00 ppm1 8.614 ppm2 3.723 ASSI { 1897} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HD1 )) 3.400 1.400 1.400 peak 1897 weight .10000E+01 volume .10953E+00 ppm1 8.615 ppm2 3.479 ASSI { 1898} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.900 1.100 1.100 peak 1898 weight .10000E+01 volume .29095E+00 ppm1 8.615 ppm2 2.917 OR { 1898} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) ASSI { 1899} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.500 1.500 1.500 peak 1899 weight .10000E+01 volume .90500E-01 ppm1 8.615 ppm2 2.546 OR { 1899} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 1900} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.100 1.200 1.200 peak 1900 weight .10000E+01 volume .18973E+00 ppm1 8.615 ppm2 2.146 OR { 1900} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG1 )) ASSI { 1902} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HN )) 3.400 1.400 1.400 peak 1902 weight .10000E+01 volume .10701E+00 ppm1 8.425 ppm2 6.845 ASSI { 1909} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 3.100 1.200 1.200 peak 1909 weight .10000E+01 volume .19569E+00 ppm1 8.020 ppm2 7.710 ASSI { 1911} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 1911 weight .10000E+01 volume .15111E+00 ppm1 8.021 ppm2 4.418 ASSI { 1912} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 3.300 1.400 1.400 peak 1912 weight .10000E+01 volume .12418E+00 ppm1 8.022 ppm2 4.080 ASSI { 1913} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 1913 weight .10000E+01 volume .20793E+00 ppm1 8.021 ppm2 3.638 ASSI { 1914} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.100 1.200 1.200 peak 1914 weight .10000E+01 volume .18785E+00 ppm1 8.021 ppm2 3.378 ASSI { 1915} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.100 1.200 1.200 peak 1915 weight .10000E+01 volume .19061E+00 ppm1 8.022 ppm2 2.934 ASSI { 1916} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG )) 2.900 2.900 1.600 peak 1916 weight .10000E+01 volume .27181E+00 ppm1 8.021 ppm2 1.857 ASSI { 1917} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.000 1.100 1.100 peak 1917 weight .10000E+01 volume .22573E+00 ppm1 8.021 ppm2 1.646 ASSI { 1918} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.000 1.100 1.100 peak 1918 weight .10000E+01 volume .22480E+00 ppm1 8.019 ppm2 1.379 ASSI { 1919} (( segid " " and resid 11 and name HN )) ( segid " " and resid 20 and name HD1%) 3.400 1.400 1.400 peak 1919 weight .10000E+01 volume .10800E+00 ppm1 8.021 ppm2 1.007 ASSI { 1920} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD2%) 3.000 1.100 1.100 peak 1920 weight .10000E+01 volume .23750E+00 ppm1 8.022 ppm2 .879 ASSI { 1921} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD1%) 2.900 2.900 1.600 peak 1921 weight .10000E+01 volume .25830E+00 ppm1 8.021 ppm2 .722 ASSI { 1922} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HD2%) 3.400 1.400 1.400 peak 1922 weight .10000E+01 volume .10990E+00 ppm1 8.022 ppm2 .591 OR { 1922} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 2022} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 3.000 1.100 1.100 peak 2022 weight .10000E+01 volume .21623E+00 ppm1 8.278 ppm2 7.151 ASSI { 2023} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.600 .800 .800 peak 2023 weight .10000E+01 volume .49388E+00 ppm1 8.276 ppm2 4.968 ASSI { 2024} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 2024 weight .10000E+01 volume .29166E+00 ppm1 8.276 ppm2 3.799 ASSI { 2025} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.800 1.000 1.000 peak 2025 weight .10000E+01 volume .34707E+00 ppm1 8.276 ppm2 3.022 ASSI { 2026} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.700 .900 .900 peak 2026 weight .10000E+01 volume .40329E+00 ppm1 8.276 ppm2 2.670 ASSI { 2027} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HG1 )) 3.000 1.100 1.100 peak 2027 weight .10000E+01 volume .20637E+00 ppm1 8.277 ppm2 2.266 OR { 2027} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HG2 )) ASSI { 2029} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.600 1.600 1.600 peak 2029 weight .10000E+01 volume .79060E-01 ppm1 8.274 ppm2 1.582 ASSI { 2032} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) 3.200 1.300 1.300 peak 2032 weight .10000E+01 volume .14325E+00 ppm1 7.741 ppm2 4.087 ASSI { 2043} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HA )) 3.500 1.500 1.500 peak 2043 weight .10000E+01 volume .91840E-01 ppm1 7.148 ppm2 4.420 ASSI { 2044} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 3.100 1.200 1.200 peak 2044 weight .10000E+01 volume .17558E+00 ppm1 7.147 ppm2 4.240 ASSI { 2045} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HA )) 3.200 1.300 1.300 peak 2045 weight .10000E+01 volume .14725E+00 ppm1 7.145 ppm2 4.089 ASSI { 2046} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 2.500 .800 .800 peak 2046 weight .10000E+01 volume .68031E+00 ppm1 7.147 ppm2 3.797 ASSI { 2047} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG1 )) 2.400 2.400 2.100 peak 2047 weight .10000E+01 volume .77097E+00 ppm1 7.147 ppm2 2.267 OR { 2047} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG2 )) ASSI { 2048} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 2.400 .700 .700 peak 2048 weight .10000E+01 volume .78811E+00 ppm1 7.147 ppm2 1.988 ASSI { 2049} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 2049 weight .10000E+01 volume .15437E+00 ppm1 7.146 ppm2 1.688 ASSI { 2050} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG )) 3.300 1.400 1.400 peak 2050 weight .10000E+01 volume .12383E+00 ppm1 7.146 ppm2 1.559 ASSI { 2051} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.000 3.000 1.500 peak 2051 weight .10000E+01 volume .20960E+00 ppm1 7.146 ppm2 1.391 ASSI { 2058} (( segid " " and resid 60 and name HE22)) (( segid " " and resid 56 and name HZ2 )) 3.200 1.300 1.300 peak 2058 weight .10000E+01 volume .14292E+00 ppm1 6.786 ppm2 7.113 OR { 2058} (( segid " " and resid 60 and name HE22)) (( segid " " and resid 56 and name HH2 )) ASSI { 2060} (( segid " " and resid 60 and name HE22)) (( segid " " and resid 60 and name HE21)) 2.000 .500 .500 peak 2060 weight .10000E+01 volume .25988E+01 ppm1 6.786 ppm2 5.968 ASSI { 2062} (( segid " " and resid 60 and name HE22)) (( segid " " and resid 57 and name HA )) 3.200 1.300 1.300 peak 2062 weight .10000E+01 volume .14687E+00 ppm1 6.786 ppm2 3.707 ASSI { 2064} (( segid " " and resid 60 and name HE22)) (( segid " " and resid 60 and name HB2 )) 3.000 1.100 1.100 peak 2064 weight .10000E+01 volume .22455E+00 ppm1 6.785 ppm2 1.905 ASSI { 2066} (( segid " " and resid 60 and name HE22)) (( segid " " and resid 60 and name HG2 )) 2.800 1.000 1.000 peak 2066 weight .10000E+01 volume .34448E+00 ppm1 6.785 ppm2 1.456 ASSI { 2075} (( segid " " and resid 60 and name HE21)) (( segid " " and resid 57 and name HA )) 3.100 1.200 1.200 peak 2075 weight .10000E+01 volume .19837E+00 ppm1 5.968 ppm2 3.707 ASSI { 2076} (( segid " " and resid 60 and name HE21)) (( segid " " and resid 60 and name HB2 )) 2.900 1.100 1.100 peak 2076 weight .10000E+01 volume .29225E+00 ppm1 5.969 ppm2 1.904 ASSI { 2077} (( segid " " and resid 60 and name HE21)) (( segid " " and resid 60 and name HG2 )) 2.600 .800 .800 peak 2077 weight .10000E+01 volume .51556E+00 ppm1 5.969 ppm2 1.458 ASSI { 2082} (( segid " " and resid 60 and name HE21)) (( segid " " and resid 56 and name HZ2 )) 3.200 1.300 1.300 peak 2082 weight .10000E+01 volume .14241E+00 ppm1 5.967 ppm2 7.112 OR { 2082} (( segid " " and resid 60 and name HE21)) (( segid " " and resid 56 and name HE3 )) ASSI { 2085} (( segid " " and resid 60 and name HE21)) (( segid " " and resid 56 and name HA )) 3.500 1.500 1.500 peak 2085 weight .10000E+01 volume .85580E-01 ppm1 5.966 ppm2 4.232 ASSI { 2103} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.700 .900 .900 peak 2103 weight .10000E+01 volume .41600E+00 ppm1 8.084 ppm2 3.287 OR { 2103} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 2104} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HG2 )) 2.900 1.100 1.100 peak 2104 weight .10000E+01 volume .26757E+00 ppm1 8.083 ppm2 2.262 ASSI { 2106} (( segid " " and resid 30 and name HN )) ( segid " " and resid 34 and name HD2%) 3.300 1.400 1.400 peak 2106 weight .10000E+01 volume .13578E+00 ppm1 8.084 ppm2 .430 ASSI { 2113} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.400 1.400 1.400 peak 2113 weight .10000E+01 volume .97930E-01 ppm1 7.741 ppm2 5.121 ASSI { 2114} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.300 .700 .700 peak 2114 weight .10000E+01 volume .10686E+01 ppm1 7.740 ppm2 4.780 ASSI { 2115} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 2115 weight .10000E+01 volume .20899E+00 ppm1 7.741 ppm2 4.596 ASSI { 2116} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 3.300 1.400 1.400 peak 2116 weight .10000E+01 volume .11512E+00 ppm1 7.742 ppm2 3.690 ASSI { 2117} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.500 .800 .800 peak 2117 weight .10000E+01 volume .68780E+00 ppm1 7.741 ppm2 3.090 ASSI { 2118} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.200 1.300 1.300 peak 2118 weight .10000E+01 volume .15556E+00 ppm1 7.739 ppm2 2.912 OR { 2118} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) ASSI { 2119} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.000 1.100 1.100 peak 2119 weight .10000E+01 volume .20914E+00 ppm1 7.740 ppm2 2.548 OR { 2119} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 2120} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB )) 3.100 1.200 1.200 peak 2120 weight .10000E+01 volume .18827E+00 ppm1 7.740 ppm2 1.920 ASSI { 2126} (( segid " " and resid 19 and name HN )) ( segid " " and resid 11 and name HD1%) 3.300 1.400 1.400 peak 2126 weight .10000E+01 volume .13228E+00 ppm1 7.741 ppm2 .722 ASSI { 2153} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 .800 .800 peak 2153 weight .10000E+01 volume .61320E+00 ppm1 8.084 ppm2 4.782 ASSI { 2155} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.900 1.100 1.100 peak 2155 weight .10000E+01 volume .24688E+00 ppm1 8.090 ppm2 3.870 ASSI { 2156} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 2.900 1.100 1.100 peak 2156 weight .10000E+01 volume .27897E+00 ppm1 8.086 ppm2 3.530 ASSI { 2158} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HG1 )) 3.300 1.400 1.400 peak 2158 weight .10000E+01 volume .12924E+00 ppm1 8.086 ppm2 2.134 ASSI { 2159} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.000 1.100 1.100 peak 2159 weight .10000E+01 volume .21869E+00 ppm1 8.083 ppm2 1.938 OR { 2159} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) ASSI { 2161} (( segid " " and resid 30 and name HN )) ( segid " " and resid 28 and name HD2%) 3.100 1.200 1.200 peak 2161 weight .10000E+01 volume .17166E+00 ppm1 8.085 ppm2 .922 OR { 2161} (( segid " " and resid 30 and name HN )) ( segid " " and resid 28 and name HD1%) ASSI { 2162} (( segid " " and resid 30 and name HN )) (( segid " " and resid 7 and name HG )) 3.200 1.300 1.300 peak 2162 weight .10000E+01 volume .14100E+00 ppm1 8.085 ppm2 .755 ASSI { 2163} (( segid " " and resid 30 and name HN )) ( segid " " and resid 7 and name HD1%) 3.500 1.500 1.500 peak 2163 weight .10000E+01 volume .85840E-01 ppm1 8.090 ppm2 .585 OR { 2163} (( segid " " and resid 30 and name HN )) ( segid " " and resid 7 and name HD2%) ASSI { 2175} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 2175 weight .10000E+01 volume .16673E+00 ppm1 8.645 ppm2 4.866 ASSI { 2215} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.300 1.400 1.400 peak 2215 weight .10000E+01 volume .12392E+00 ppm1 8.646 ppm2 4.061 ASSI { 2216} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.400 1.400 1.400 peak 2216 weight .10000E+01 volume .99170E-01 ppm1 8.644 ppm2 2.812 OR { 2216} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 2217} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.500 1.500 1.500 peak 2217 weight .10000E+01 volume .87610E-01 ppm1 8.646 ppm2 2.425 OR { 2217} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) ASSI { 2223} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 .800 .800 peak 2223 weight .10000E+01 volume .54892E+00 ppm1 8.129 ppm2 5.121 ASSI { 2224} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA2 )) 2.700 .900 .900 peak 2224 weight .10000E+01 volume .41488E+00 ppm1 8.128 ppm2 4.289 ASSI { 2225} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA )) 3.600 1.600 1.600 peak 2225 weight .10000E+01 volume .78480E-01 ppm1 8.129 ppm2 4.099 ASSI { 2226} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA1 )) 2.700 .900 .900 peak 2226 weight .10000E+01 volume .46048E+00 ppm1 8.128 ppm2 3.885 ASSI { 2227} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HD2 )) 2.700 2.700 1.800 peak 2227 weight .10000E+01 volume .42390E+00 ppm1 8.129 ppm2 3.704 ASSI { 2228} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HD1 )) 2.700 .900 .900 peak 2228 weight .10000E+01 volume .40662E+00 ppm1 8.129 ppm2 3.484 ASSI { 2229} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.700 .900 .900 peak 2229 weight .10000E+01 volume .44593E+00 ppm1 8.129 ppm2 2.549 OR { 2229} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 2231} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.900 2.900 1.600 peak 2231 weight .10000E+01 volume .24533E+00 ppm1 8.127 ppm2 1.577 ASSI { 2232} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.700 .900 .900 peak 2232 weight .10000E+01 volume .41324E+00 ppm1 8.128 ppm2 1.373 ASSI { 2233} (( segid " " and resid 16 and name HN )) ( segid " " and resid 12 and name HG2%) 3.300 1.400 1.400 peak 2233 weight .10000E+01 volume .13402E+00 ppm1 8.128 ppm2 1.221 ASSI { 2236} (( segid " " and resid 16 and name HN )) ( segid " " and resid 14 and name HD1%) 3.300 1.400 1.400 peak 2236 weight .10000E+01 volume .12955E+00 ppm1 8.129 ppm2 .289 OR { 2236} (( segid " " and resid 16 and name HN )) ( segid " " and resid 14 and name HD2%) ASSI { 2238} (( segid " " and resid 36 and name HD22)) (( segid " " and resid 36 and name HN )) 3.300 1.400 1.400 peak 2238 weight .10000E+01 volume .13091E+00 ppm1 7.587 ppm2 8.281 ASSI { 2240} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 26 and name HE21)) 1.800 .400 .400 peak 2240 weight .10000E+01 volume .46658E+01 ppm1 7.586 ppm2 7.004 ASSI { 2241} (( segid " " and resid 36 and name HD22)) (( segid " " and resid 36 and name HD21)) 1.800 .400 .400 peak 2241 weight .10000E+01 volume .47845E+01 ppm1 7.587 ppm2 6.886 ASSI { 2242} (( segid " " and resid 36 and name HD22)) (( segid " " and resid 36 and name HA )) 3.200 1.300 1.300 peak 2242 weight .10000E+01 volume .14424E+00 ppm1 7.588 ppm2 4.969 ASSI { 2244} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 26 and name HA )) 3.400 1.400 1.400 peak 2244 weight .10000E+01 volume .11051E+00 ppm1 7.588 ppm2 4.556 ASSI { 2245} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 23 and name HA )) 3.500 1.500 1.500 peak 2245 weight .10000E+01 volume .89880E-01 ppm1 7.584 ppm2 4.424 ASSI { 2246} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 45 and name HA )) 3.400 1.400 1.400 peak 2246 weight .10000E+01 volume .10861E+00 ppm1 7.587 ppm2 4.179 ASSI { 2247} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 25 and name HB1 )) 3.500 1.500 1.500 peak 2247 weight .10000E+01 volume .89570E-01 ppm1 7.587 ppm2 3.902 ASSI { 2248} (( segid " " and resid 36 and name HD22)) (( segid " " and resid 36 and name HB2 )) 2.600 .800 .800 peak 2248 weight .10000E+01 volume .55987E+00 ppm1 7.588 ppm2 3.021 ASSI { 2249} (( segid " " and resid 36 and name HD22)) (( segid " " and resid 36 and name HB1 )) 2.500 .800 .800 peak 2249 weight .10000E+01 volume .73031E+00 ppm1 7.588 ppm2 2.669 ASSI { 2250} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 26 and name HG2 )) 2.700 .900 .900 peak 2250 weight .10000E+01 volume .41414E+00 ppm1 7.586 ppm2 2.495 ASSI { 2251} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 26 and name HG1 )) 2.700 .900 .900 peak 2251 weight .10000E+01 volume .45415E+00 ppm1 7.585 ppm2 2.332 ASSI { 2252} (( segid " " and resid 36 and name HD22)) (( segid " " and resid 35 and name HB1 )) 3.400 1.400 1.400 peak 2252 weight .10000E+01 volume .11208E+00 ppm1 7.586 ppm2 2.001 ASSI { 2253} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 26 and name HB2 )) 3.200 1.300 1.300 peak 2253 weight .10000E+01 volume .15541E+00 ppm1 7.586 ppm2 1.759 OR { 2253} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 26 and name HB1 )) ASSI { 2254} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 45 and name HG )) 3.000 1.100 1.100 peak 2254 weight .10000E+01 volume .21462E+00 ppm1 7.586 ppm2 .856 ASSI { 2263} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 26 and name HA )) 3.400 1.400 1.400 peak 2263 weight .10000E+01 volume .10814E+00 ppm1 7.009 ppm2 4.559 ASSI { 2264} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 45 and name HA )) 3.200 1.300 1.300 peak 2264 weight .10000E+01 volume .14180E+00 ppm1 7.010 ppm2 4.189 ASSI { 2265} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 26 and name HG2 )) 2.800 1.000 1.000 peak 2265 weight .10000E+01 volume .30101E+00 ppm1 7.009 ppm2 2.497 ASSI { 2266} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 26 and name HG1 )) 2.800 1.000 1.000 peak 2266 weight .10000E+01 volume .35673E+00 ppm1 7.010 ppm2 2.339 ASSI { 2267} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 26 and name HB1 )) 3.300 1.400 1.400 peak 2267 weight .10000E+01 volume .13079E+00 ppm1 7.011 ppm2 1.755 OR { 2267} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 26 and name HB2 )) ASSI { 2268} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 45 and name HB1 )) 3.500 1.500 1.500 peak 2268 weight .10000E+01 volume .86420E-01 ppm1 7.012 ppm2 1.334 ASSI { 2269} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 45 and name HG )) 3.000 1.100 1.100 peak 2269 weight .10000E+01 volume .20456E+00 ppm1 7.011 ppm2 .859 ASSI { 2270} (( segid " " and resid 36 and name HD21)) (( segid " " and resid 36 and name HN )) 3.500 1.500 1.500 peak 2270 weight .10000E+01 volume .81020E-01 ppm1 6.896 ppm2 8.284 ASSI { 2273} (( segid " " and resid 36 and name HD21)) (( segid " " and resid 36 and name HA )) 3.400 1.400 1.400 peak 2273 weight .10000E+01 volume .10289E+00 ppm1 6.894 ppm2 4.970 ASSI { 2275} (( segid " " and resid 36 and name HD21)) (( segid " " and resid 36 and name HB2 )) 2.800 2.800 1.700 peak 2275 weight .10000E+01 volume .35638E+00 ppm1 6.894 ppm2 3.023 ASSI { 2276} (( segid " " and resid 36 and name HD21)) (( segid " " and resid 36 and name HB1 )) 2.600 .800 .800 peak 2276 weight .10000E+01 volume .54128E+00 ppm1 6.894 ppm2 2.669 ASSI { 2277} (( segid " " and resid 36 and name HD21)) (( segid " " and resid 35 and name HG1 )) 3.300 1.400 1.400 peak 2277 weight .10000E+01 volume .13433E+00 ppm1 6.895 ppm2 2.264 OR { 2277} (( segid " " and resid 36 and name HD21)) (( segid " " and resid 35 and name HG2 )) ASSI { 2294} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 3.500 1.500 1.500 peak 2294 weight .10000E+01 volume .84850E-01 ppm1 9.412 ppm2 8.270 ASSI { 2298} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.300 .700 .700 peak 2298 weight .10000E+01 volume .10578E+01 ppm1 9.409 ppm2 4.705 ASSI { 2300} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.700 .900 .900 peak 2300 weight .10000E+01 volume .41124E+00 ppm1 9.409 ppm2 3.221 ASSI { 2301} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.800 1.000 1.000 peak 2301 weight .10000E+01 volume .35255E+00 ppm1 9.409 ppm2 2.677 ASSI { 2302} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.800 2.800 1.700 peak 2302 weight .10000E+01 volume .31919E+00 ppm1 9.410 ppm2 1.990 ASSI { 2303} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.900 1.100 1.100 peak 2303 weight .10000E+01 volume .27693E+00 ppm1 9.410 ppm2 1.595 ASSI { 2304} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 2.400 2.400 2.100 peak 2304 weight .10000E+01 volume .75011E+00 ppm1 9.410 ppm2 1.414 ASSI { 2306} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HD1%) 2.500 .800 .800 peak 2306 weight .10000E+01 volume .59521E+00 ppm1 9.410 ppm2 .956 ASSI { 2313} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HN )) 3.200 1.300 1.300 peak 2313 weight .10000E+01 volume .14661E+00 ppm1 8.631 ppm2 7.088 ASSI { 2314} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HA )) 2.800 1.000 1.000 peak 2314 weight .10000E+01 volume .30914E+00 ppm1 8.632 ppm2 4.530 ASSI { 2315} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.000 1.100 1.100 peak 2315 weight .10000E+01 volume .23045E+00 ppm1 8.632 ppm2 4.439 ASSI { 2317} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.800 1.000 1.000 peak 2317 weight .10000E+01 volume .34903E+00 ppm1 8.632 ppm2 3.797 ASSI { 2318} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.800 1.000 1.000 peak 2318 weight .10000E+01 volume .34951E+00 ppm1 8.634 ppm2 3.663 ASSI { 2319} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB1 )) 2.700 .900 .900 peak 2319 weight .10000E+01 volume .39119E+00 ppm1 8.634 ppm2 3.195 ASSI { 2321} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG2%) 2.300 .700 .700 peak 2321 weight .10000E+01 volume .10557E+01 ppm1 8.633 ppm2 1.296 ASSI { 2332} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HA )) 3.200 1.300 1.300 peak 2332 weight .10000E+01 volume .15923E+00 ppm1 7.400 ppm2 4.778 ASSI { 2333} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 2333 weight .10000E+01 volume .35013E+00 ppm1 7.402 ppm2 4.446 ASSI { 2334} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 3.100 1.200 1.200 peak 2334 weight .10000E+01 volume .18636E+00 ppm1 7.403 ppm2 4.145 ASSI { 2335} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.700 .900 .900 peak 2335 weight .10000E+01 volume .40348E+00 ppm1 7.401 ppm2 3.665 ASSI { 2336} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) 2.700 .900 .900 peak 2336 weight .10000E+01 volume .43532E+00 ppm1 7.402 ppm2 3.195 ASSI { 2337} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.100 1.200 1.200 peak 2337 weight .10000E+01 volume .19191E+00 ppm1 7.404 ppm2 2.816 ASSI { 2338} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.900 1.100 1.100 peak 2338 weight .10000E+01 volume .24722E+00 ppm1 7.402 ppm2 2.481 ASSI { 2345} (( segid " " and resid 23 and name HN )) ( segid " " and resid 47 and name HD1%) 3.400 1.400 1.400 peak 2345 weight .10000E+01 volume .11227E+00 ppm1 7.400 ppm2 .330 ASSI { 2369} (( segid " " and resid 18 and name HD22)) (( segid " " and resid 18 and name HD21)) 2.200 .600 .600 peak 2369 weight .10000E+01 volume .14420E+01 ppm1 7.802 ppm2 6.282 ASSI { 2371} (( segid " " and resid 18 and name HD22)) (( segid " " and resid 18 and name HB1 )) 2.700 .900 .900 peak 2371 weight .10000E+01 volume .37758E+00 ppm1 7.802 ppm2 2.933 OR { 2371} (( segid " " and resid 18 and name HD22)) (( segid " " and resid 18 and name HB2 )) ASSI { 2377} (( segid " " and resid 18 and name HD21)) (( segid " " and resid 18 and name HB1 )) 2.900 1.100 1.100 peak 2377 weight .10000E+01 volume .25703E+00 ppm1 6.277 ppm2 2.931 OR { 2377} (( segid " " and resid 18 and name HD21)) (( segid " " and resid 18 and name HB2 )) ASSI { 2434} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HE21)) 1.600 .300 .600 peak 2434 weight .10000E+01 volume .11197E+02 ppm1 7.468 ppm2 6.805 ASSI { 2435} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HG1 )) 2.700 .900 .900 peak 2435 weight .10000E+01 volume .38564E+00 ppm1 7.468 ppm2 2.383 OR { 2435} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HG2 )) ASSI { 2445} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 64 and name HG1 )) 2.900 1.100 1.100 peak 2445 weight .10000E+01 volume .27745E+00 ppm1 6.805 ppm2 2.382 OR { 2445} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 64 and name HG2 )) ASSI { 2520} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 2520 weight .10000E+01 volume .11381E+00 ppm1 8.295 ppm2 7.786 ASSI { 2524} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.700 .900 .900 peak 2524 weight .10000E+01 volume .45415E+00 ppm1 8.295 ppm2 4.249 ASSI { 2525} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA2 )) 2.300 .700 .700 peak 2525 weight .10000E+01 volume .10595E+01 ppm1 8.295 ppm2 3.988 ASSI { 2527} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.500 1.500 1.500 peak 2527 weight .10000E+01 volume .82680E-01 ppm1 8.296 ppm2 1.578 ASSI { 2531} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA1 )) 2.300 .700 .700 peak 2531 weight .10000E+01 volume .98135E+00 ppm1 8.295 ppm2 3.881 ASSI { 2546} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HE21)) 1.700 .400 .500 peak 2546 weight .10000E+01 volume .74263E+01 ppm1 7.206 ppm2 6.852 ASSI { 2548} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 48 and name HB2 )) 3.400 1.400 1.400 peak 2548 weight .10000E+01 volume .10539E+00 ppm1 7.207 ppm2 2.498 ASSI { 2550} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG2 )) 2.400 .700 .700 peak 2550 weight .10000E+01 volume .92733E+00 ppm1 7.206 ppm2 1.581 ASSI { 2551} (( segid " " and resid 50 and name HE22)) (( segid " " and resid 50 and name HG1 )) 2.500 .800 .800 peak 2551 weight .10000E+01 volume .63717E+00 ppm1 7.207 ppm2 1.324 ASSI { 2558} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 48 and name HB2 )) 3.300 1.400 1.400 peak 2558 weight .10000E+01 volume .12091E+00 ppm1 6.854 ppm2 2.501 ASSI { 2560} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG2 )) 2.600 .800 .800 peak 2560 weight .10000E+01 volume .49437E+00 ppm1 6.853 ppm2 1.580 ASSI { 2561} (( segid " " and resid 50 and name HE21)) (( segid " " and resid 50 and name HG1 )) 2.800 1.000 1.000 peak 2561 weight .10000E+01 volume .32900E+00 ppm1 6.854 ppm2 1.322 ASSI { 2583} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA2 )) 3.500 1.500 1.500 peak 2583 weight .10000E+01 volume .81620E-01 ppm1 7.738 ppm2 3.942 ASSI { 2584} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.200 .600 .600 peak 2584 weight .10000E+01 volume .13989E+01 ppm1 7.736 ppm2 3.593 ASSI { 2585} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.900 1.100 1.100 peak 2585 weight .10000E+01 volume .25901E+00 ppm1 7.734 ppm2 2.257 ASSI { 2588} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA1 )) 3.500 1.500 1.500 peak 2588 weight .10000E+01 volume .92370E-01 ppm1 7.732 ppm2 3.726 ASSI { 2622} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) 2.700 2.700 1.800 peak 2622 weight .10000E+01 volume .41215E+00 ppm1 7.735 ppm2 1.890 ASSI { 2625} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HG11)) 3.200 1.300 1.300 peak 2625 weight .10000E+01 volume .15194E+00 ppm1 7.734 ppm2 1.122 OR { 2625} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HG12)) ASSI { 2627} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) 3.500 1.500 1.500 peak 2627 weight .10000E+01 volume .83920E-01 ppm1 7.735 ppm2 .760 ASSI { 2631} (( segid " " and resid 29 and name HE22)) (( segid " " and resid 29 and name HB1 )) 3.400 1.400 1.400 peak 2631 weight .10000E+01 volume .11221E+00 ppm1 7.561 ppm2 1.927 OR { 2631} (( segid " " and resid 29 and name HE22)) (( segid " " and resid 29 and name HB2 )) ASSI { 2633} (( segid " " and resid 29 and name HE22)) (( segid " " and resid 29 and name HE21)) 1.800 .400 .400 peak 2633 weight .10000E+01 volume .47951E+01 ppm1 7.558 ppm2 6.890 ASSI { 2636} (( segid " " and resid 29 and name HE22)) (( segid " " and resid 29 and name HG2 )) 2.700 .900 .900 peak 2636 weight .10000E+01 volume .37897E+00 ppm1 7.559 ppm2 2.259 ASSI { 2637} (( segid " " and resid 29 and name HE22)) (( segid " " and resid 29 and name HG1 )) 2.900 1.100 1.100 peak 2637 weight .10000E+01 volume .25485E+00 ppm1 7.559 ppm2 2.159 ASSI { 2645} (( segid " " and resid 29 and name HE21)) (( segid " " and resid 29 and name HG2 )) 3.000 1.100 1.100 peak 2645 weight .10000E+01 volume .24399E+00 ppm1 6.893 ppm2 2.259 ASSI { 2646} (( segid " " and resid 29 and name HE21)) (( segid " " and resid 29 and name HG1 )) 3.100 1.200 1.200 peak 2646 weight .10000E+01 volume .17104E+00 ppm1 6.894 ppm2 2.160 ASSI { 2647} (( segid " " and resid 29 and name HE21)) (( segid " " and resid 29 and name HB1 )) 3.500 1.500 1.500 peak 2647 weight .10000E+01 volume .90690E-01 ppm1 6.894 ppm2 1.926 OR { 2647} (( segid " " and resid 29 and name HE21)) (( segid " " and resid 29 and name HB2 )) ASSI { 2703} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 35 and name HE21)) 1.600 .300 .600 peak 2703 weight .10000E+01 volume .81667E+01 ppm1 7.067 ppm2 6.673 ASSI { 2707} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 63 and name HE2 )) 3.400 1.400 1.400 peak 2707 weight .10000E+01 volume .10542E+00 ppm1 7.067 ppm2 2.897 OR { 2707} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 63 and name HE1 )) ASSI { 2708} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 35 and name HG2 )) 2.300 .700 .700 peak 2708 weight .10000E+01 volume .95598E+00 ppm1 7.067 ppm2 2.268 OR { 2708} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 35 and name HG1 )) ASSI { 2710} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 62 and name HB2 )) 3.400 1.400 1.400 peak 2710 weight .10000E+01 volume .10156E+00 ppm1 7.066 ppm2 1.756 ASSI { 2711} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 62 and name HB1 )) 3.400 1.400 1.400 peak 2711 weight .10000E+01 volume .10921E+00 ppm1 7.068 ppm2 1.505 ASSI { 2712} (( segid " " and resid 35 and name HE22)) ( segid " " and resid 62 and name HD1%) 3.300 1.400 1.400 peak 2712 weight .10000E+01 volume .12849E+00 ppm1 7.066 ppm2 .521 ASSI { 2713} (( segid " " and resid 35 and name HE22)) ( segid " " and resid 31 and name HG2%) 3.400 1.400 1.400 peak 2713 weight .10000E+01 volume .10839E+00 ppm1 7.067 ppm2 .358 ASSI { 2726} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 35 and name HG2 )) 2.600 .800 .800 peak 2726 weight .10000E+01 volume .55216E+00 ppm1 6.673 ppm2 2.268 OR { 2726} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 35 and name HG1 )) ASSI { 2728} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 62 and name HB2 )) 3.500 1.500 1.500 peak 2728 weight .10000E+01 volume .93400E-01 ppm1 6.672 ppm2 1.755 OR { 2728} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 62 and name HG )) ASSI { 2730} (( segid " " and resid 35 and name HE21)) ( segid " " and resid 62 and name HD1%) 3.500 1.500 1.500 peak 2730 weight .10000E+01 volume .86450E-01 ppm1 6.673 ppm2 .526 ASSI { 2794} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA )) 3.500 1.500 1.500 peak 2794 weight .10000E+01 volume .84830E-01 ppm1 8.163 ppm2 4.632 ASSI { 2809} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 2.700 .900 .900 peak 2809 weight .10000E+01 volume .37360E+00 ppm1 8.162 ppm2 7.843 ASSI { 2811} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.400 2.400 2.100 peak 2811 weight .10000E+01 volume .95166E+00 ppm1 8.161 ppm2 4.191 ASSI { 2812} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA2 )) 2.100 .600 .600 peak 2812 weight .10000E+01 volume .17611E+01 ppm1 8.161 ppm2 3.909 OR { 2812} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA1 )) ASSI { 2813} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG1 )) 3.100 1.200 1.200 peak 2813 weight .10000E+01 volume .19198E+00 ppm1 8.162 ppm2 2.384 OR { 2813} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG2 )) ASSI { 2814} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.000 1.100 1.100 peak 2814 weight .10000E+01 volume .22493E+00 ppm1 8.162 ppm2 2.123 ASSI { 2815} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.000 1.100 1.100 peak 2815 weight .10000E+01 volume .20879E+00 ppm1 8.161 ppm2 1.994 ASSI { 2929} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 2.600 .800 .800 peak 2929 weight .10000E+01 volume .48149E+00 ppm1 7.953 ppm2 8.552 ASSI { 2932} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA2 )) 2.500 .800 .800 peak 2932 weight .10000E+01 volume .71143E+00 ppm1 7.952 ppm2 4.093 ASSI { 2934} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA1 )) 2.400 .700 .700 peak 2934 weight .10000E+01 volume .83626E+00 ppm1 7.952 ppm2 3.747 ASSI { 2935} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 2935 weight .10000E+01 volume .86420E-01 ppm1 7.952 ppm2 1.246 ASSI { 2936} (( segid " " and resid 58 and name HN )) ( segid " " and resid 14 and name HD1%) 2.900 1.100 1.100 peak 2936 weight .10000E+01 volume .27371E+00 ppm1 7.951 ppm2 .289 OR { 2936} (( segid " " and resid 58 and name HN )) ( segid " " and resid 14 and name HD2%) ASSI { 2937} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 2.700 .900 .900 peak 2937 weight .10000E+01 volume .44186E+00 ppm1 7.950 ppm2 9.111 ASSI { 2938} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HN )) 3.500 1.500 1.500 peak 2938 weight .10000E+01 volume .85980E-01 ppm1 7.949 ppm2 8.851 ASSI { 2940} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HA )) 3.400 1.400 1.400 peak 2940 weight .10000E+01 volume .10734E+00 ppm1 7.949 ppm2 4.226 ASSI { 2942} (( segid " " and resid 58 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 2942 weight .10000E+01 volume .10781E+00 ppm1 7.949 ppm2 2.737 OR { 2942} (( segid " " and resid 58 and name HN )) (( segid " " and resid 61 and name HB1 )) ASSI { 2943} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG2 )) 2.500 2.500 2.000 peak 2943 weight .10000E+01 volume .64339E+00 ppm1 7.951 ppm2 1.993 ASSI { 2944} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG1 )) 3.100 1.200 1.200 peak 2944 weight .10000E+01 volume .17262E+00 ppm1 7.950 ppm2 1.810 ASSI { 2945} (( segid " " and resid 58 and name HN )) ( segid " " and resid 54 and name HG2%) 3.200 1.300 1.300 peak 2945 weight .10000E+01 volume .13719E+00 ppm1 7.951 ppm2 1.359 ASSI { 2948} (( segid " " and resid 58 and name HN )) (( segid " " and resid 14 and name HG )) 2.900 1.100 1.100 peak 2948 weight .10000E+01 volume .27215E+00 ppm1 7.951 ppm2 .643 ASSI { 2962} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HN )) 3.500 1.500 1.500 peak 2962 weight .10000E+01 volume .94090E-01 ppm1 7.683 ppm2 8.245 ASSI { 2965} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.900 1.100 1.100 peak 2965 weight .10000E+01 volume .26762E+00 ppm1 7.681 ppm2 4.554 ASSI { 2966} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA2 )) 2.500 .800 .800 peak 2966 weight .10000E+01 volume .71397E+00 ppm1 7.682 ppm2 3.950 ASSI { 2967} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA1 )) 2.600 .800 .800 peak 2967 weight .10000E+01 volume .49696E+00 ppm1 7.682 ppm2 3.277 ASSI { 2968} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG2 )) 3.200 1.300 1.300 peak 2968 weight .10000E+01 volume .15856E+00 ppm1 7.681 ppm2 2.513 ASSI { 2969} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG1 )) 3.400 1.400 1.400 peak 2969 weight .10000E+01 volume .10145E+00 ppm1 7.678 ppm2 2.323 ASSI { 2970} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.200 1.300 1.300 peak 2970 weight .10000E+01 volume .13761E+00 ppm1 7.682 ppm2 1.760 OR { 2970} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 2971} (( segid " " and resid 27 and name HN )) ( segid " " and resid 28 and name HD1%) 3.400 1.400 1.400 peak 2971 weight .10000E+01 volume .96220E-01 ppm1 7.680 ppm2 .905 ASSI { 3014} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 3014 weight .10000E+01 volume .11746E+00 ppm1 7.790 ppm2 5.121 ASSI { 3015} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA2 )) 2.400 .700 .700 peak 3015 weight .10000E+01 volume .94123E+00 ppm1 7.791 ppm2 4.289 ASSI { 3016} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA1 )) 2.300 .700 .700 peak 3016 weight .10000E+01 volume .10963E+01 ppm1 7.790 ppm2 3.888 ASSI { 3018} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HD1 )) 3.200 1.300 1.300 peak 3018 weight .10000E+01 volume .14759E+00 ppm1 7.791 ppm2 3.482 ASSI { 3019} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.500 1.500 1.500 peak 3019 weight .10000E+01 volume .83370E-01 ppm1 7.790 ppm2 2.546 OR { 3019} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 3021} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.000 1.100 1.100 peak 3021 weight .10000E+01 volume .21627E+00 ppm1 7.789 ppm2 1.572 ASSI { 3022} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.800 1.000 1.000 peak 3022 weight .10000E+01 volume .31156E+00 ppm1 7.791 ppm2 1.372 ASSI { 3023} (( segid " " and resid 15 and name HN )) ( segid " " and resid 12 and name HG2%) 3.100 1.200 1.200 peak 3023 weight .10000E+01 volume .16479E+00 ppm1 7.788 ppm2 1.219 ASSI { 3025} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HD2%) 3.400 1.400 1.400 peak 3025 weight .10000E+01 volume .11043E+00 ppm1 7.791 ppm2 .288 OR { 3025} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 3028} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 3.300 1.400 1.400 peak 3028 weight .10000E+01 volume .12335E+00 ppm1 7.719 ppm2 7.541 ASSI { 3029} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA2 )) 2.400 .700 .700 peak 3029 weight .10000E+01 volume .88797E+00 ppm1 7.717 ppm2 3.946 ASSI { 3030} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA1 )) 2.500 .800 .800 peak 3030 weight .10000E+01 volume .68184E+00 ppm1 7.722 ppm2 3.730 ASSI { 3031} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.800 1.000 1.000 peak 3031 weight .10000E+01 volume .35890E+00 ppm1 7.719 ppm2 2.155 OR { 3031} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 3033} (( segid " " and resid 43 and name HN )) ( segid " " and resid 39 and name HG2%) 3.500 1.500 1.500 peak 3033 weight .10000E+01 volume .82710E-01 ppm1 7.719 ppm2 .613 OR { 3033} (( segid " " and resid 43 and name HN )) (( segid " " and resid 39 and name HG11)) ASSI { 3035} (( segid " " and resid 43 and name HN )) (( segid " " and resid 39 and name HA )) 3.500 1.500 1.500 peak 3035 weight .10000E+01 volume .94910E-01 ppm1 7.716 ppm2 3.519 ASSI { 3037} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HB% ) 2.900 2.900 1.600 peak 3037 weight .10000E+01 volume .25447E+00 ppm1 7.717 ppm2 1.577 ASSI { 3038} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name HD1%) 3.100 1.200 1.200 peak 3038 weight .10000E+01 volume .17173E+00 ppm1 7.714 ppm2 1.097 OR { 3038} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name HD2%) ASSI { 3047} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) 2.700 .900 .900 peak 3047 weight .10000E+01 volume .41644E+00 ppm1 7.719 ppm2 7.862 ASSI { 3048} (( segid " " and resid 43 and name HN )) (( segid " " and resid 52 and name HD2 )) 3.300 1.400 1.400 peak 3048 weight .10000E+01 volume .11415E+00 ppm1 7.719 ppm2 3.127 OR { 3048} (( segid " " and resid 43 and name HN )) (( segid " " and resid 52 and name HD1 )) ASSI { 3049} (( segid " " and resid 43 and name HN )) ( segid " " and resid 37 and name HD1%) 3.600 1.600 1.600 peak 3049 weight .10000E+01 volume .78670E-01 ppm1 7.712 ppm2 .952 OR { 3049} (( segid " " and resid 43 and name HN )) ( segid " " and resid 37 and name HD2%) ASSI { 3957} (( segid " " and resid 13 and name HA1 )) (( segid " " and resid 14 and name HN )) 1.800 .000 2.200 peak 3957 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3957} (( segid " " and resid 13 and name HA2 )) (( segid " " and resid 14 and name HN )) ASSI { 3958} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 1.800 .000 1.200 peak 3958 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3960} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 15 and name HN )) 1.800 .000 2.200 peak 3960 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3960} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HN )) ASSI { 3962} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 15 and name HN )) 1.800 .000 5.406 peak 3962 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3963} (( segid " " and resid 14 and name HG )) (( segid " " and resid 15 and name HN )) 1.800 .000 4.200 peak 3963 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3964} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 1.800 .000 1.200 peak 3964 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3965} (( segid " " and resid 15 and name HA1 )) (( segid " " and resid 15 and name HN )) 1.800 .000 1.200 peak 3965 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3965} (( segid " " and resid 15 and name HA2 )) (( segid " " and resid 15 and name HN )) ASSI { 3966} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 16 and name HN )) 1.800 .000 2.200 peak 3966 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3966} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 16 and name HN )) ASSI { 3968} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 16 and name HN )) 1.800 .000 5.406 peak 3968 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3969} (( segid " " and resid 14 and name HG )) (( segid " " and resid 16 and name HN )) 1.800 .000 4.200 peak 3969 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3971} (( segid " " and resid 15 and name HA1 )) (( segid " " and resid 16 and name HN )) 1.800 .000 2.200 peak 3971 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3971} (( segid " " and resid 15 and name HA2 )) (( segid " " and resid 16 and name HN )) ASSI { 3973} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 1.800 .000 1.200 peak 3973 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3974} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HD1 )) 1.800 .000 2.200 peak 3974 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3974} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HD2 )) ASSI { 3975} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG1 )) 1.800 .000 4.935 peak 3975 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3975} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG2 )) ASSI { 3987} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 20 and name HN )) 1.800 .000 4.200 peak 3987 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3987} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 20 and name HN )) ASSI { 3988} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 1.800 .000 1.200 peak 3988 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3991} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HN )) 1.800 .000 4.200 peak 3991 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3993} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 22 and name HN )) 1.800 .000 2.200 peak 3993 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3993} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 22 and name HN )) ASSI { 3994} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 22 and name HN )) 1.800 .000 4.200 peak 3994 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 3994} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HN )) ASSI { 3996} ( segid " " and resid 22 and name HE% ) (( segid " " and resid 22 and name HN )) 1.800 .000 2.200 peak 3996 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 3997} (( segid " " and resid 20 and name HN )) (( segid " " and resid 23 and name HN )) 1.800 .000 4.200 peak 3997 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4002} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) 1.800 .000 3.222 peak 4002 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4002} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) ASSI { 4003} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 1.800 .000 1.200 peak 4003 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4006} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 24 and name HN )) 1.800 .000 2.200 peak 4006 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4006} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 4008} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 1.800 .000 1.200 peak 4008 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4018} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 27 and name HN )) 1.800 .000 4.200 peak 4018 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4018} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 27 and name HN )) ASSI { 4019} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 1.800 .000 1.200 peak 4019 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4020} (( segid " " and resid 23 and name HN )) ( segid " " and resid 28 and name HD1%) 1.800 .000 5.406 peak 4020 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4021} (( segid " " and resid 23 and name HN )) (( segid " " and resid 28 and name HG )) 1.800 .000 4.200 peak 4021 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4023} (( segid " " and resid 26 and name HA )) (( segid " " and resid 28 and name HN )) 1.800 .000 4.200 peak 4023 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4025} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 28 and name HN )) 1.800 .000 2.200 peak 4025 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4025} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 28 and name HN )) ASSI { 4028} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HN )) 1.800 .000 4.200 peak 4028 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4029} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) 1.800 .000 4.200 peak 4029 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4029} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HN )) ASSI { 4030} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 29 and name HN )) 1.800 .000 5.406 peak 4030 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4032} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 30 and name HN )) 1.800 .000 2.690 peak 4032 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4032} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 30 and name HN )) ASSI { 4033} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 30 and name HN )) 1.800 .000 4.200 peak 4033 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4033} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 30 and name HN )) ASSI { 4034} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 30 and name HN )) 1.800 .000 5.406 peak 4034 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4035} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HN )) 1.800 .000 2.200 peak 4035 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4037} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 30 and name HN )) 1.800 .000 2.200 peak 4037 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4037} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 30 and name HN )) ASSI { 4038} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 1.800 .000 1.200 peak 4038 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4039} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) 1.800 .000 4.200 peak 4039 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4039} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) ASSI { 4040} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 1.800 .000 4.200 peak 4040 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4043} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 32 and name HN )) 1.800 .000 3.222 peak 4043 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4043} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 4045} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) 1.800 .000 5.406 peak 4045 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4050} (( segid " " and resid 31 and name HB )) (( segid " " and resid 33 and name HN )) 1.800 .000 4.200 peak 4050 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4051} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HN )) 1.800 .000 4.200 peak 4051 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4053} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 1.800 .000 2.200 peak 4053 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4053} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HN )) ASSI { 4059} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD1%) 1.800 .000 5.406 peak 4059 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4062} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 35 and name HE21)) 1.800 .000 6.853 peak 4062 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4062} ( segid " " and resid 31 and name HG2%) (( segid " " and resid 35 and name HE22)) ASSI { 4066} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) 1.800 .000 4.200 peak 4066 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4066} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 4067} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 35 and name HN )) 1.800 .000 3.004 peak 4067 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4069} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 1.800 .000 1.200 peak 4069 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4070} (( segid " " and resid 34 and name HG )) (( segid " " and resid 36 and name HN )) 1.800 .000 4.200 peak 4070 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4072} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 1.800 .000 2.200 peak 4072 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4072} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HN )) ASSI { 4076} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HN )) 1.800 .000 4.200 peak 4076 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4076} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 37 and name HN )) ASSI { 4077} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 37 and name HN )) 1.800 .000 5.406 peak 4077 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4082} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 1.800 .000 3.222 peak 4082 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4082} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HN )) ASSI { 4084} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) 1.800 .000 5.406 peak 4084 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4085} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 1.800 .000 2.200 peak 4085 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4085} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 4088} (( segid " " and resid 37 and name HG )) (( segid " " and resid 38 and name HN )) 1.800 .000 2.200 peak 4088 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4089} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 1.800 .000 4.200 peak 4089 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4096} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 40 and name HN )) 1.800 .000 5.406 peak 4096 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4096} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 40 and name HN )) ASSI { 4098} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HA )) 1.800 .000 4.200 peak 4098 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4099} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HB2 )) 1.800 .000 2.200 peak 4099 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4099} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 4104} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 41 and name HN )) 1.800 .000 2.200 peak 4104 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4104} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HN )) ASSI { 4105} (( segid " " and resid 40 and name HG1 )) (( segid " " and resid 41 and name HN )) 1.800 .000 4.200 peak 4105 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4107} (( segid " " and resid 40 and name HG1 )) (( segid " " and resid 41 and name HN )) 1.800 .000 3.222 peak 4107 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4107} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 41 and name HN )) ASSI { 4108} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 1.800 .000 1.200 peak 4108 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4112} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 42 and name HN )) 1.800 .000 5.406 peak 4112 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4112} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 42 and name HN )) ASSI { 4118} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HN )) 1.800 .000 3.221 peak 4118 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4118} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HN )) ASSI { 4122} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 43 and name HN )) 1.800 .000 5.406 peak 4122 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4123} (( segid " " and resid 42 and name HG )) (( segid " " and resid 43 and name HN )) 1.800 .000 3.200 peak 4123 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4128} (( segid " " and resid 43 and name HA2 )) (( segid " " and resid 44 and name HN )) 1.800 .000 2.200 peak 4128 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4128} (( segid " " and resid 43 and name HA1 )) (( segid " " and resid 44 and name HN )) ASSI { 4130} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 1.800 .000 1.200 peak 4130 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4131} (( segid " " and resid 23 and name HN )) ( segid " " and resid 45 and name HD2%) 1.800 .000 5.406 peak 4131 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4132} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 45 and name HA )) 1.800 .000 5.406 peak 4132 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4132} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 45 and name HA )) ASSI { 4133} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 45 and name HB1 )) 1.800 .000 5.406 peak 4133 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4133} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 45 and name HB1 )) OR { 4133} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 45 and name HB2 )) OR { 4133} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 45 and name HB2 )) ASSI { 4134} (( segid " " and resid 26 and name HE22)) (( segid " " and resid 45 and name HG )) 1.800 .000 3.004 peak 4134 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4134} (( segid " " and resid 26 and name HE21)) (( segid " " and resid 45 and name HG )) ASSI { 4139} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 1.800 .000 1.200 peak 4139 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4140} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 1.800 .000 2.200 peak 4140 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4142} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HN )) 1.800 .000 4.200 peak 4142 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4143} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 1.800 .000 1.200 peak 4143 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4144} (( segid " " and resid 22 and name HN )) ( segid " " and resid 47 and name HD1%) 1.800 .000 3.004 peak 4144 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4145} (( segid " " and resid 43 and name HA1 )) (( segid " " and resid 47 and name HN )) 1.800 .000 4.200 peak 4145 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4145} (( segid " " and resid 43 and name HA2 )) (( segid " " and resid 47 and name HN )) ASSI { 4148} (( segid " " and resid 45 and name HG )) (( segid " " and resid 47 and name HN )) 1.800 .000 4.200 peak 4148 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4150} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 1.800 .000 1.200 peak 4150 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4151} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 1.800 .000 2.200 peak 4151 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4151} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) ASSI { 4152} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 1.800 .000 1.200 peak 4152 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4153} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 1.800 .000 1.200 peak 4153 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4154} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 49 and name HN )) 1.800 .000 4.200 peak 4154 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4154} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 49 and name HN )) ASSI { 4156} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 50 and name HN )) 1.800 .000 2.690 peak 4156 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4156} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HN )) ASSI { 4157} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 50 and name HN )) 1.800 .000 4.935 peak 4157 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4157} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 50 and name HN )) ASSI { 4158} (( segid " " and resid 19 and name HN )) ( segid " " and resid 51 and name HE% ) 1.800 .000 4.200 peak 4158 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4159} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 51 and name HN )) 1.800 .000 2.690 peak 4159 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4159} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 51 and name HN )) ASSI { 4163} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) 1.800 .000 4.200 peak 4163 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4163} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) ASSI { 4164} ( segid " " and resid 51 and name HD% ) (( segid " " and resid 52 and name HN )) 1.800 .000 4.200 peak 4164 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4168} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HN )) 1.800 .000 4.200 peak 4168 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4170} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HN )) 1.800 .000 2.200 peak 4170 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4170} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 53 and name HN )) ASSI { 4175} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HN )) 1.800 .000 1.567 peak 4175 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4175} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HN )) ASSI { 4177} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 1.800 .000 1.200 peak 4177 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4181} (( segid " " and resid 38 and name HA )) (( segid " " and resid 56 and name HE1 )) 1.800 .000 2.200 peak 4181 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4181} (( segid " " and resid 38 and name HA )) (( segid " " and resid 56 and name HE3 )) ASSI { 4182} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 56 and name HE1 )) 1.800 .000 3.004 peak 4182 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4182} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 56 and name HE3 )) ASSI { 4183} (( segid " " and resid 39 and name HA )) (( segid " " and resid 56 and name HE3 )) 1.800 .000 4.200 peak 4183 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4183} (( segid " " and resid 39 and name HA )) (( segid " " and resid 56 and name HE1 )) ASSI { 4184} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 56 and name HE3 )) 1.800 .000 3.200 peak 4184 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4184} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 56 and name HE1 )) ASSI { 4185} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 56 and name HE3 )) 1.800 .000 5.406 peak 4185 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4185} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 56 and name HE3 )) OR { 4185} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 56 and name HE1 )) OR { 4185} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 56 and name HE1 )) ASSI { 4186} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 56 and name HE3 )) 1.800 .000 3.200 peak 4186 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4186} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 56 and name HE1 )) ASSI { 4187} (( segid " " and resid 39 and name HN )) (( segid " " and resid 56 and name HE1 )) 1.800 .000 4.200 peak 4187 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4187} (( segid " " and resid 39 and name HN )) (( segid " " and resid 56 and name HE3 )) ASSI { 4189} (( segid " " and resid 42 and name HG )) (( segid " " and resid 56 and name HE3 )) 1.800 .000 4.200 peak 4189 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4189} (( segid " " and resid 42 and name HG )) (( segid " " and resid 56 and name HE1 )) ASSI { 4192} (( segid " " and resid 55 and name HB )) (( segid " " and resid 56 and name HN )) 1.800 .000 1.200 peak 4192 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4193} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 56 and name HN )) 1.800 .000 4.935 peak 4193 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4193} (( segid " " and resid 55 and name HG12)) (( segid " " and resid 56 and name HN )) OR { 4193} (( segid " " and resid 55 and name HG11)) (( segid " " and resid 56 and name HN )) ASSI { 4194} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 56 and name HN )) 1.800 .000 3.004 peak 4194 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4196} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HE3 )) 1.800 .000 4.200 peak 4196 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4196} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HE3 )) OR { 4196} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HE1 )) OR { 4196} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HE1 )) ASSI { 4197} (( segid " " and resid 56 and name HD1 )) (( segid " " and resid 56 and name HN )) 1.800 .000 4.200 peak 4197 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4198} (( segid " " and resid 42 and name HG )) (( segid " " and resid 57 and name HN )) 1.800 .000 4.200 peak 4198 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4201} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HN )) 1.800 .000 2.200 peak 4201 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4201} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HN )) ASSI { 4204} (( segid " " and resid 56 and name HE3 )) (( segid " " and resid 57 and name HN )) 1.800 .000 4.200 peak 4204 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4204} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 57 and name HN )) ASSI { 4206} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 58 and name HN )) 1.800 .000 3.004 peak 4206 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4209} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 58 and name HN )) 1.800 .000 4.200 peak 4209 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4209} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 58 and name HN )) ASSI { 4212} (( segid " " and resid 14 and name HG )) (( segid " " and resid 59 and name HN )) 1.800 .000 4.200 peak 4212 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4215} (( segid " " and resid 58 and name HA1 )) (( segid " " and resid 59 and name HN )) 1.800 .000 2.200 peak 4215 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4215} (( segid " " and resid 58 and name HA2 )) (( segid " " and resid 59 and name HN )) ASSI { 4216} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 60 and name HE21)) 1.800 .000 5.406 peak 4216 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4216} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 60 and name HE22)) OR { 4216} (( segid " " and resid 56 and name HE3 )) (( segid " " and resid 60 and name HE21)) OR { 4216} (( segid " " and resid 56 and name HE3 )) (( segid " " and resid 60 and name HE22)) ASSI { 4217} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HE21)) 1.800 .000 5.406 peak 4217 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4217} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HE22)) ASSI { 4218} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 1.800 .000 1.200 peak 4218 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4219} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 62 and name HB2 )) 1.800 .000 5.406 peak 4219 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4219} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 62 and name HB2 )) OR { 4219} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 62 and name HB1 )) OR { 4219} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 62 and name HB1 )) ASSI { 4221} (( segid " " and resid 35 and name HE22)) ( segid " " and resid 62 and name HD1%) 1.800 .000 6.853 peak 4221 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4221} (( segid " " and resid 35 and name HE21)) ( segid " " and resid 62 and name HD1%) ASSI { 4224} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 62 and name HN )) 1.800 .000 1.567 peak 4224 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4224} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) ASSI { 4225} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 1.800 .000 1.200 peak 4225 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4231} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 1.800 .000 1.200 peak 4231 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4232} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 1.800 .000 1.200 peak 4232 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4233} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 65 and name HN )) 1.800 .000 2.200 peak 4233 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4233} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 65 and name HN )) ASSI { 4238} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 1.800 .000 1.200 peak 4238 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4239} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HN )) 1.800 .000 4.200 peak 4239 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4239} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 67 and name HN )) ASSI { 4241} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HN )) 1.800 .000 2.200 peak 4241 weight .10000E+01 volume .00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 4241} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HN ))
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