NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
591009 | 2mxa | 19971 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 10} (( segid " A" and resid 2 and name HA )) ( segid " A" and resid 2 and name HB# ) 2.070 0.535 0.535 peak 10 weight 1.00000E+00 volume 7.05844E+06 ppm1 4.305 ppm2 1.533 ASSI { 621} ( segid " A" and resid 2 and name HB# ) (( segid " A" and resid 3 and name HN )) 2.534 0.803 0.803 peak 621 weight 1.00000E+00 volume 2.18452E+07 ppm1 9.671 ppm2 1.501 ASSI { 1203} (( segid " A" and resid 2 and name HA )) (( segid " A" and resid 6 and name HB2 )) 5.126 3.284 3.284 peak 1203 weight 1.00000E+00 volume -3.08765E+04 ppm1 4.301 ppm2 2.879 ASSI { 3402} ( segid " A" and resid 2 and name HB# ) (( segid " A" and resid 6 and name HB2 )) 2.142 0.574 0.574 peak 3402 weight 1.00000E+00 volume 5.79400E+06 ppm1 1.533 ppm2 2.691 ASSI { 3665} (( segid " A" and resid 2 and name HA )) (( segid " A" and resid 6 and name HB1 )) 5.125 3.284 3.284 peak 3665 weight 1.00000E+00 volume -3.08800E+04 ppm1 4.301 ppm2 2.879 ASSI { 25} ( segid " A" and resid 2 and name HB# ) ( segid " A" and resid 7 and name HD1#) 2.032 0.516 0.516 peak 25 weight 1.00000E+00 volume 7.95007E+06 ppm1 1.534 ppm2 0.680 ASSI { 3398} ( segid " A" and resid 2 and name HB# ) (( segid " A" and resid 7 and name HN )) 2.510 0.788 0.788 peak 3398 weight 1.00000E+00 volume 2.23800E+06 ppm1 1.533 ppm2 8.064 ASSI { 19} ( segid " A" and resid 2 and name HB# ) (( segid " A" and resid 7 and name HA )) 2.631 0.865 0.865 peak 19 weight 1.00000E+00 volume 1.68798E+06 ppm1 1.534 ppm2 3.585 ASSI { 24} ( segid " A" and resid 2 and name HB# ) (( segid " A" and resid 7 and name HG12)) 2.281 0.650 0.650 peak 24 weight 1.00000E+00 volume 3.97428E+06 ppm1 1.534 ppm2 1.034 ASSI { 27} (( segid " A" and resid 3 and name HA )) ( segid " A" and resid 3 and name HG2#) 2.173 0.590 0.590 peak 27 weight 1.00000E+00 volume 5.31599E+06 ppm1 4.416 ppm2 1.300 ASSI { 1159} (( segid " A" and resid 3 and name HN )) ( segid " A" and resid 3 and name HG2#) 3.291 1.354 1.354 peak 1159 weight 1.00000E+00 volume 2.09828E+07 ppm1 9.672 ppm2 1.279 ASSI { 4182} ( segid " A" and resid 3 and name HG2#) ( segid " A" and resid 4 and name HD1#) 1.965 0.483 0.483 peak 4182 weight 1.00000E+00 volume 9.72192E+06 ppm1 0.847 ppm2 1.292 ASSI { 447} (( segid " A" and resid 3 and name HA )) (( segid " A" and resid 4 and name HN )) 2.579 0.831 0.831 peak 447 weight 1.00000E+00 volume 9.06124E+07 ppm1 9.160 ppm2 4.394 ASSI { 1188} ( segid " A" and resid 3 and name HG2#) (( segid " A" and resid 4 and name HN )) 2.411 0.726 0.726 peak 1188 weight 1.00000E+00 volume 1.35703E+08 ppm1 9.160 ppm2 1.285 ASSI { 85} ( segid " A" and resid 3 and name HG2#) ( segid " A" and resid 5 and name HG1#) 2.057 0.529 0.529 peak 85 weight 1.00000E+00 volume 7.39630E+06 ppm1 0.789 ppm2 1.291 ASSI { 894} (( segid " A" and resid 3 and name HN )) (( segid " A" and resid 6 and name HN )) 3.210 1.288 1.288 peak 894 weight 1.00000E+00 volume 2.43568E+07 ppm1 7.137 ppm2 9.652 ASSI { 1195} ( segid " A" and resid 3 and name HG2#) (( segid " A" and resid 6 and name HN )) 2.695 0.908 0.908 peak 1195 weight 1.00000E+00 volume 6.95770E+07 ppm1 7.140 ppm2 1.292 ASSI { 1406} ( segid " A" and resid 3 and name HG2#) (( segid " A" and resid 31 and name HE22)) 3.199 1.279 1.279 peak 1406 weight 1.00000E+00 volume 2.48489E+07 ppm1 6.756 ppm2 1.291 ASSI { 1939} ( segid " A" and resid 4 and name HD1#) (( segid " A" and resid 4 and name HN )) 2.503 0.783 0.783 peak 1939 weight 1.00000E+00 volume 2.27717E+06 ppm1 0.844 ppm2 9.152 ASSI { 4184} ( segid " A" and resid 4 and name HD1#) (( segid " A" and resid 4 and name HB )) 1.978 0.489 0.489 peak 4184 weight 1.00000E+00 volume 9.35162E+06 ppm1 0.845 ppm2 1.849 ASSI { 4196} (( segid " A" and resid 4 and name HB )) ( segid " A" and resid 4 and name HG2#) 2.308 0.666 0.666 peak 4196 weight 1.00000E+00 volume 3.70094E+06 ppm1 1.850 ppm2 0.714 ASSI { 432} (( segid " A" and resid 4 and name HN )) (( segid " A" and resid 5 and name HN )) 3.204 1.283 1.283 peak 432 weight 1.00000E+00 volume 2.46206E+07 ppm1 9.159 ppm2 6.630 ASSI { 71} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 3 and name HB )) 2.653 0.880 0.880 peak 71 weight 1.00000E+00 volume 1.60515E+06 ppm1 0.789 ppm2 4.621 ASSI { 36} (( segid " A" and resid 5 and name HA )) (( segid " A" and resid 5 and name HB )) 2.600 0.845 0.845 peak 36 weight 1.00000E+00 volume 1.81286E+06 ppm1 3.294 ppm2 1.686 ASSI { 37} (( segid " A" and resid 5 and name HA )) ( segid " A" and resid 5 and name HG2#) 2.083 0.542 0.542 peak 37 weight 1.00000E+00 volume 6.85466E+06 ppm1 3.294 ppm2 0.808 ASSI { 41} (( segid " A" and resid 5 and name HB )) ( segid " A" and resid 5 and name HG# ) 1.924 0.463 0.463 peak 41 weight 1.00000E+00 volume 1.10502E+07 ppm1 1.711 ppm2 0.803 ASSI { 3416} (( segid " A" and resid 5 and name HB )) ( segid " A" and resid 5 and name HG1#) 1.870 0.437 0.437 peak 3416 weight 1.00000E+00 volume 1.30900E+07 ppm1 0.787 ppm2 1.714 ASSI { 622} (( segid " A" and resid 5 and name HB )) (( segid " A" and resid 5 and name HN )) 2.861 1.024 1.024 peak 622 weight 1.00000E+00 volume 4.85249E+07 ppm1 6.621 ppm2 1.682 ASSI { 987} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 5 and name HN )) 2.663 0.887 0.887 peak 987 weight 1.00000E+00 volume 7.46802E+07 ppm1 6.623 ppm2 0.774 ASSI { 984} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 6 and name HN )) 2.166 0.586 0.586 peak 984 weight 1.00000E+00 volume 1.78764E+08 ppm1 7.139 ppm2 0.771 ASSI { 3406} ( segid " A" and resid 5 and name HG2#) (( segid " A" and resid 6 and name HN )) 2.478 0.768 0.768 peak 3406 weight 1.00000E+00 volume 2.41700E+06 ppm1 0.831 ppm2 7.152 ASSI { 3413} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 6 and name HA )) 2.501 0.782 0.782 peak 3413 weight 1.00000E+00 volume 2.29000E+06 ppm1 0.789 ppm2 4.179 ASSI { 3414} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 6 and name HB1 )) 2.714 0.920 0.920 peak 3414 weight 1.00000E+00 volume 1.40200E+06 ppm1 0.790 ppm2 2.754 ASSI { 1288} (( segid " A" and resid 5 and name HA )) (( segid " A" and resid 6 and name HN )) 2.741 0.939 0.939 peak 1288 weight 1.00000E+00 volume 6.27941E+07 ppm1 7.139 ppm2 3.249 ASSI { 3404} (( segid " A" and resid 5 and name HA )) ( segid " A" and resid 8 and name HB# ) 2.491 0.776 0.776 peak 3404 weight 1.00000E+00 volume 2.34200E+06 ppm1 3.292 ppm2 1.155 ASSI { 1298} (( segid " A" and resid 5 and name HA )) (( segid " A" and resid 8 and name HN )) 2.913 1.061 1.061 peak 1298 weight 1.00000E+00 volume 4.35602E+07 ppm1 7.830 ppm2 3.249 ASSI { 53} ( segid " A" and resid 5 and name HG2#) (( segid " A" and resid 27 and name HA )) 2.270 0.644 0.644 peak 53 weight 1.00000E+00 volume 4.09057E+06 ppm1 0.833 ppm2 3.064 ASSI { 44} ( segid " A" and resid 5 and name HG2#) ( segid " A" and resid 30 and name HD1#) 1.916 0.459 0.459 peak 44 weight 1.00000E+00 volume 5.95007E+06 ppm1 0.832 ppm2 0.547 ASSI { 3571} (( segid " A" and resid 5 and name HB )) ( segid " A" and resid 30 and name HD1#) 2.641 0.872 0.872 peak 3571 weight 1.00000E+00 volume 1.64800E+06 ppm1 0.538 ppm2 1.712 ASSI { 2405} ( segid " A" and resid 5 and name HG2#) (( segid " A" and resid 30 and name HN )) 2.750 0.945 0.945 peak 2405 weight 1.00000E+00 volume 6.15600E+07 ppm1 7.441 ppm2 0.809 ASSI { 48} ( segid " A" and resid 5 and name HG2#) (( segid " A" and resid 31 and name HN )) 2.712 0.919 0.919 peak 48 weight 1.00000E+00 volume 1.40738E+06 ppm1 0.833 ppm2 7.599 ASSI { 2408} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 31 and name HN )) 2.238 0.626 0.626 peak 2408 weight 1.00000E+00 volume 1.09900E+08 ppm1 7.570 ppm2 0.796 ASSI { 1412} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 31 and name HE22)) 2.249 0.632 0.632 peak 1412 weight 1.00000E+00 volume 2.05974E+08 ppm1 6.761 ppm2 0.772 ASSI { 748} ( segid " A" and resid 5 and name HG1#) ( segid " A" and resid 31 and name HB# ) 2.540 0.807 0.807 peak 748 weight 1.00000E+00 volume 2.08324E+06 ppm1 2.124 ppm2 0.817 ASSI { 3415} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 31 and name HG2 )) 2.226 0.619 0.619 peak 3415 weight 1.00000E+00 volume 4.60300E+06 ppm1 0.792 ppm2 2.530 ASSI { 3577} ( segid " A" and resid 5 and name HG2#) (( segid " A" and resid 31 and name HG2 )) 2.132 0.568 0.568 peak 3577 weight 1.00000E+00 volume 5.95900E+06 ppm1 2.526 ppm2 0.812 ASSI { 1409} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 31 and name HE21)) 2.154 0.580 0.580 peak 1409 weight 1.00000E+00 volume 2.66450E+08 ppm1 7.185 ppm2 0.774 ASSI { 2854} (( segid " A" and resid 5 and name HB )) (( segid " A" and resid 31 and name HE21)) 2.768 0.958 0.958 peak 2854 weight 1.00000E+00 volume 5.92216E+07 ppm1 7.185 ppm2 1.684 ASSI { 2420} ( segid " A" and resid 5 and name HG1#) (( segid " A" and resid 32 and name HN )) 3.235 1.308 1.308 peak 2420 weight 1.00000E+00 volume 2.32600E+07 ppm1 7.635 ppm2 0.791 ASSI { 1192} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 3 and name HB )) 2.955 1.092 1.092 peak 1192 weight 1.00000E+00 volume 3.99962E+07 ppm1 7.140 ppm2 4.629 ASSI { 895} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 4 and name HN )) 3.378 1.426 1.426 peak 895 weight 1.00000E+00 volume 1.79337E+07 ppm1 7.142 ppm2 9.153 ASSI { 425} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 5 and name HN )) 2.427 0.737 0.737 peak 425 weight 1.00000E+00 volume 3.14545E+07 ppm1 6.623 ppm2 7.139 ASSI { 93} (( segid " A" and resid 6 and name HA )) (( segid " A" and resid 6 and name HB1 )) 2.291 0.656 0.656 peak 93 weight 1.00000E+00 volume 3.86751E+06 ppm1 4.207 ppm2 2.688 ASSI { 92} (( segid " A" and resid 6 and name HA )) (( segid " A" and resid 6 and name HB2 )) 2.668 0.890 0.890 peak 92 weight 1.00000E+00 volume 1.55215E+06 ppm1 4.207 ppm2 2.910 ASSI { 625} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 6 and name HB1 )) 2.448 0.749 0.749 peak 625 weight 1.00000E+00 volume 1.23926E+08 ppm1 7.139 ppm2 2.690 ASSI { 101} (( segid " A" and resid 6 and name HB2 )) (( segid " A" and resid 6 and name HB1 )) 1.932 0.466 0.466 peak 101 weight 1.00000E+00 volume 1.07768E+07 ppm1 2.699 ppm2 2.874 ASSI { 624} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 6 and name HA )) 2.355 0.693 0.693 peak 624 weight 1.00000E+00 volume 1.56263E+08 ppm1 7.138 ppm2 4.190 ASSI { 1025} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 6 and name HB2 )) 2.367 0.700 0.700 peak 1025 weight 1.00000E+00 volume 1.51386E+08 ppm1 7.139 ppm2 2.879 ASSI { 30} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 7 and name HN )) 2.458 0.755 0.755 peak 30 weight 1.00000E+00 volume 8.31868E+07 ppm1 8.080 ppm2 7.140 ASSI { 451} (( segid " A" and resid 6 and name HB1 )) (( segid " A" and resid 7 and name HN )) 2.630 0.865 0.865 peak 451 weight 1.00000E+00 volume 6.92488E+07 ppm1 8.080 ppm2 2.688 ASSI { 1026} (( segid " A" and resid 6 and name HB2 )) (( segid " A" and resid 7 and name HN )) 2.719 0.924 0.924 peak 1026 weight 1.00000E+00 volume 6.58583E+07 ppm1 8.079 ppm2 2.879 ASSI { 896} (( segid " A" and resid 6 and name HN )) (( segid " A" and resid 8 and name HN )) 3.134 1.228 1.228 peak 896 weight 1.00000E+00 volume 2.80931E+07 ppm1 7.139 ppm2 7.806 ASSI { 1290} (( segid " A" and resid 6 and name HN )) ( segid " A" and resid 8 and name HB# ) 3.328 1.385 1.385 peak 1290 weight 1.00000E+00 volume 1.95929E+07 ppm1 7.139 ppm2 1.117 ASSI { 3481} (( segid " A" and resid 6 and name HA )) (( segid " A" and resid 9 and name HB )) 3.082 1.187 1.187 peak 3481 weight 1.00000E+00 volume 6.53000E+05 ppm1 2.074 ppm2 4.205 OR { 3481} (( segid " A" and resid 23 and name HB )) (( segid " A" and resid 24 and name HA )) ASSI { 2338} (( segid " A" and resid 6 and name HA )) (( segid " A" and resid 9 and name HN )) 3.383 1.431 1.431 peak 2338 weight 1.00000E+00 volume 1.77700E+07 ppm1 8.366 ppm2 4.186 ASSI { 1284} ( segid " A" and resid 7 and name HD1#) (( segid " A" and resid 5 and name HN )) 3.180 1.264 1.264 peak 1284 weight 1.00000E+00 volume 2.57649E+07 ppm1 6.626 ppm2 0.693 ASSI { 3422} (( segid " A" and resid 7 and name HG11)) (( segid " A" and resid 6 and name HB2 )) 2.255 0.636 0.636 peak 3422 weight 1.00000E+00 volume 3.51600E+06 ppm1 2.699 ppm2 1.546 ASSI { 121} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 7 and name HG11)) 2.239 0.627 0.627 peak 121 weight 1.00000E+00 volume 4.43913E+06 ppm1 3.602 ppm2 1.555 ASSI { 123} (( segid " A" and resid 7 and name HA )) ( segid " A" and resid 7 and name HG2#) 2.179 0.593 0.593 peak 123 weight 1.00000E+00 volume 5.23304E+06 ppm1 3.603 ppm2 0.637 ASSI { 130} ( segid " A" and resid 7 and name HD1#) (( segid " A" and resid 7 and name HB )) 1.971 0.485 0.485 peak 130 weight 1.00000E+00 volume 9.56001E+06 ppm1 1.617 ppm2 0.674 ASSI { 139} (( segid " A" and resid 7 and name HG12)) ( segid " A" and resid 7 and name HD1#) 2.109 0.556 0.556 peak 139 weight 1.00000E+00 volume 6.37089E+06 ppm1 0.689 ppm2 1.027 ASSI { 140} (( segid " A" and resid 7 and name HG11)) ( segid " A" and resid 7 and name HD1#) 1.909 0.456 0.456 peak 140 weight 1.00000E+00 volume 1.15542E+07 ppm1 0.691 ppm2 1.548 ASSI { 985} ( segid " A" and resid 7 and name HD1#) (( segid " A" and resid 7 and name HN )) 2.346 0.688 0.688 peak 985 weight 1.00000E+00 volume 1.59830E+08 ppm1 8.080 ppm2 0.689 ASSI { 122} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 7 and name HG12)) 2.375 0.705 0.705 peak 122 weight 1.00000E+00 volume 3.12254E+06 ppm1 3.603 ppm2 1.042 ASSI { 151} (( segid " A" and resid 7 and name HG12)) (( segid " A" and resid 7 and name HG11)) 2.083 0.542 0.542 peak 151 weight 1.00000E+00 volume 6.85363E+06 ppm1 1.032 ppm2 1.557 ASSI { 164} (( segid " A" and resid 7 and name HG12)) ( segid " A" and resid 7 and name HG2#) 2.228 0.620 0.620 peak 164 weight 1.00000E+00 volume 4.58234E+06 ppm1 0.620 ppm2 1.025 ASSI { 166} ( segid " A" and resid 7 and name HG2#) (( segid " A" and resid 7 and name HB )) 2.074 0.538 0.538 peak 166 weight 1.00000E+00 volume 7.03557E+06 ppm1 0.622 ppm2 1.586 ASSI { 3427} (( segid " A" and resid 7 and name HG12)) (( segid " A" and resid 7 and name HB )) 2.618 0.857 0.857 peak 3427 weight 1.00000E+00 volume 1.73700E+06 ppm1 1.620 ppm2 1.075 ASSI { 626} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 7 and name HN )) 2.514 0.790 0.790 peak 626 weight 1.00000E+00 volume 1.05559E+08 ppm1 8.078 ppm2 3.588 ASSI { 1125} (( segid " A" and resid 7 and name HG12)) (( segid " A" and resid 7 and name HN )) 2.469 0.762 0.762 peak 1125 weight 1.00000E+00 volume 1.17610E+08 ppm1 8.081 ppm2 1.021 ASSI { 1165} (( segid " A" and resid 7 and name HN )) (( segid " A" and resid 7 and name HB )) 2.193 0.601 0.601 peak 1165 weight 1.00000E+00 volume 2.39671E+08 ppm1 8.080 ppm2 1.604 ASSI { 1166} (( segid " A" and resid 7 and name HG11)) (( segid " A" and resid 7 and name HN )) 2.126 0.565 0.565 peak 1166 weight 1.00000E+00 volume 2.88523E+08 ppm1 8.076 ppm2 1.546 ASSI { 3431} ( segid " A" and resid 7 and name HG2#) (( segid " A" and resid 8 and name HA )) 2.966 1.100 1.100 peak 3431 weight 1.00000E+00 volume 8.22200E+05 ppm1 0.620 ppm2 3.766 ASSI { 29} (( segid " A" and resid 7 and name HN )) (( segid " A" and resid 8 and name HN )) 2.531 0.801 0.801 peak 29 weight 1.00000E+00 volume 1.01384E+08 ppm1 8.079 ppm2 7.822 ASSI { 453} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 8 and name HN )) 2.874 1.032 1.032 peak 453 weight 1.00000E+00 volume 4.73126E+07 ppm1 7.828 ppm2 3.595 ASSI { 1198} (( segid " A" and resid 7 and name HB )) (( segid " A" and resid 8 and name HN )) 2.479 0.768 0.768 peak 1198 weight 1.00000E+00 volume 1.14799E+08 ppm1 7.829 ppm2 1.593 ASSI { 232} (( segid " A" and resid 7 and name HN )) (( segid " A" and resid 9 and name HN )) 3.327 1.383 1.383 peak 232 weight 1.00000E+00 volume 1.96504E+07 ppm1 8.080 ppm2 8.351 ASSI { 2332} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 9 and name HN )) 3.065 1.174 1.174 peak 2332 weight 1.00000E+00 volume 3.21400E+07 ppm1 8.366 ppm2 3.617 ASSI { 120} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 10 and name HB2 )) 2.592 0.840 0.840 peak 120 weight 1.00000E+00 volume 1.84362E+06 ppm1 3.603 ppm2 2.925 ASSI { 2267} (( segid " A" and resid 7 and name HG12)) (( segid " A" and resid 10 and name HD22)) 3.176 1.261 1.261 peak 2267 weight 1.00000E+00 volume 2.59437E+07 ppm1 7.013 ppm2 0.993 ASSI { 1206} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 10 and name HN )) 2.826 0.998 0.998 peak 1206 weight 1.00000E+00 volume 5.23422E+07 ppm1 7.628 ppm2 3.609 ASSI { 2341} (( segid " A" and resid 7 and name HG12)) (( segid " A" and resid 10 and name HD21)) 3.171 1.257 1.257 peak 2341 weight 1.00000E+00 volume 2.62200E+07 ppm1 7.774 ppm2 0.995 ASSI { 1234} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 10 and name HD21)) 3.236 1.309 1.309 peak 1234 weight 1.00000E+00 volume 2.32068E+07 ppm1 7.776 ppm2 3.595 ASSI { 2368} (( segid " A" and resid 7 and name HN )) (( segid " A" and resid 10 and name HN )) 3.434 1.474 1.474 peak 2368 weight 1.00000E+00 volume 1.62400E+07 ppm1 8.077 ppm2 7.651 ASSI { 209} ( segid " A" and resid 7 and name HG2#) ( segid " A" and resid 11 and name HG2#) 2.503 0.783 0.783 peak 209 weight 1.00000E+00 volume 1.39694E+06 ppm1 1.337 ppm2 0.636 ASSI { 3432} ( segid " A" and resid 7 and name HG2#) (( segid " A" and resid 11 and name HA )) 2.580 0.832 0.832 peak 3432 weight 1.00000E+00 volume 1.90000E+06 ppm1 0.624 ppm2 4.770 ASSI { 2336} (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 11 and name HN )) 3.002 1.126 1.126 peak 2336 weight 1.00000E+00 volume 3.64200E+07 ppm1 7.498 ppm2 3.610 ASSI { 2337} ( segid " A" and resid 7 and name HG2#) (( segid " A" and resid 11 and name HN )) 3.051 1.164 1.164 peak 2337 weight 1.00000E+00 volume 3.30200E+07 ppm1 7.498 ppm2 0.604 ASSI { 174} (( segid " A" and resid 8 and name HA )) ( segid " A" and resid 8 and name HB# ) 2.066 0.534 0.534 peak 174 weight 1.00000E+00 volume 7.19438E+06 ppm1 3.774 ppm2 1.155 ASSI { 1027} (( segid " A" and resid 8 and name HA )) (( segid " A" and resid 8 and name HN )) 2.425 0.735 0.735 peak 1027 weight 1.00000E+00 volume 6.60013E+07 ppm1 7.829 ppm2 3.768 ASSI { 1028} ( segid " A" and resid 8 and name HB# ) (( segid " A" and resid 8 and name HN )) 2.277 0.648 0.648 peak 1028 weight 1.00000E+00 volume 1.90896E+08 ppm1 7.829 ppm2 1.121 ASSI { 55} (( segid " A" and resid 8 and name HN )) (( segid " A" and resid 9 and name HN )) 2.819 0.994 0.994 peak 55 weight 1.00000E+00 volume 5.30346E+07 ppm1 7.830 ppm2 8.354 ASSI { 2331} ( segid " A" and resid 8 and name HB# ) (( segid " A" and resid 9 and name HN )) 3.017 1.138 1.138 peak 2331 weight 1.00000E+00 volume 3.53300E+07 ppm1 8.362 ppm2 1.127 ASSI { 50} (( segid " A" and resid 8 and name HN )) (( segid " A" and resid 10 and name HN )) 3.105 1.205 1.205 peak 50 weight 1.00000E+00 volume 2.97042E+07 ppm1 7.631 ppm2 7.839 ASSI { 3441} (( segid " A" and resid 8 and name HA )) ( segid " A" and resid 11 and name HG2#) 2.305 0.664 0.664 peak 3441 weight 1.00000E+00 volume 3.73000E+06 ppm1 1.337 ppm2 3.803 ASSI { 2335} (( segid " A" and resid 8 and name HA )) (( segid " A" and resid 11 and name HN )) 2.888 1.043 1.043 peak 2335 weight 1.00000E+00 volume 4.59200E+07 ppm1 7.500 ppm2 3.780 ASSI { 173} (( segid " A" and resid 8 and name HA )) ( segid " A" and resid 18 and name HG2#) 2.454 0.752 0.752 peak 173 weight 1.00000E+00 volume 2.56615E+06 ppm1 3.774 ppm2 0.947 ASSI { 4249} (( segid " A" and resid 9 and name HB )) ( segid " A" and resid 9 and name HG1#) 2.108 0.555 0.555 peak 4249 weight 1.00000E+00 volume 6.38745E+06 ppm1 1.015 ppm2 2.095 ASSI { 4251} ( segid " A" and resid 9 and name HG1#) (( segid " A" and resid 9 and name HA )) 1.922 0.462 0.462 peak 4251 weight 1.00000E+00 volume 1.11127E+07 ppm1 1.016 ppm2 3.671 ASSI { 2909} (( segid " A" and resid 9 and name HB )) (( segid " A" and resid 9 and name HN )) 2.699 0.910 0.910 peak 2909 weight 1.00000E+00 volume 6.89702E+07 ppm1 8.364 ppm2 2.077 ASSI { 2911} (( segid " A" and resid 9 and name HN )) ( segid " A" and resid 9 and name HG2#) 2.184 0.596 0.596 peak 2911 weight 1.00000E+00 volume 4.73037E+07 ppm1 8.367 ppm2 0.857 ASSI { 49} (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 10 and name HN )) 2.831 1.002 1.002 peak 49 weight 1.00000E+00 volume 5.17926E+07 ppm1 7.625 ppm2 8.364 ASSI { 3434} (( segid " A" and resid 10 and name HB2 )) ( segid " A" and resid 7 and name HG2#) 2.679 0.897 0.897 peak 3434 weight 1.00000E+00 volume 1.51500E+06 ppm1 2.927 ppm2 0.584 ASSI { 182} (( segid " A" and resid 10 and name HB2 )) (( segid " A" and resid 10 and name HB1 )) 1.712 0.366 0.366 peak 182 weight 1.00000E+00 volume 1.46285E+07 ppm1 2.932 ppm2 2.709 ASSI { 189} (( segid " A" and resid 10 and name HB2 )) (( segid " A" and resid 10 and name HA )) 2.215 0.614 0.614 peak 189 weight 1.00000E+00 volume 4.73443E+06 ppm1 2.932 ppm2 4.732 ASSI { 1224} (( segid " A" and resid 10 and name HB2 )) (( segid " A" and resid 10 and name HD21)) 2.658 0.883 0.883 peak 1224 weight 1.00000E+00 volume 7.55544E+07 ppm1 7.773 ppm2 2.901 ASSI { 627} (( segid " A" and resid 10 and name HB1 )) (( segid " A" and resid 10 and name HN )) 2.470 0.762 0.762 peak 627 weight 1.00000E+00 volume 1.17388E+08 ppm1 7.627 ppm2 2.685 ASSI { 628} (( segid " A" and resid 10 and name HB2 )) (( segid " A" and resid 10 and name HN )) 2.659 0.884 0.884 peak 628 weight 1.00000E+00 volume 7.54352E+07 ppm1 7.626 ppm2 2.903 ASSI { 629} (( segid " A" and resid 10 and name HA )) (( segid " A" and resid 10 and name HN )) 2.548 0.812 0.812 peak 629 weight 1.00000E+00 volume 9.73490E+07 ppm1 7.631 ppm2 4.710 ASSI { 1222} (( segid " A" and resid 10 and name HB1 )) (( segid " A" and resid 10 and name HD22)) 2.628 0.863 0.863 peak 1222 weight 1.00000E+00 volume 8.09033E+07 ppm1 7.014 ppm2 2.693 ASSI { 1223} (( segid " A" and resid 10 and name HB2 )) (( segid " A" and resid 10 and name HD22)) 2.719 0.924 0.924 peak 1223 weight 1.00000E+00 volume 5.49270E+07 ppm1 7.013 ppm2 2.904 ASSI { 1225} (( segid " A" and resid 10 and name HB1 )) (( segid " A" and resid 10 and name HD21)) 2.477 0.767 0.767 peak 1225 weight 1.00000E+00 volume 1.15433E+08 ppm1 7.772 ppm2 2.692 ASSI { 616} (( segid " A" and resid 10 and name HB2 )) (( segid " A" and resid 11 and name HN )) 3.008 1.131 1.131 peak 616 weight 1.00000E+00 volume 3.59639E+07 ppm1 7.498 ppm2 2.901 ASSI { 617} (( segid " A" and resid 10 and name HB1 )) (( segid " A" and resid 11 and name HN )) 2.925 1.070 1.070 peak 617 weight 1.00000E+00 volume 4.25165E+07 ppm1 7.498 ppm2 2.698 ASSI { 2294} (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 9 and name HN )) 3.215 1.292 1.292 peak 2294 weight 1.00000E+00 volume 2.41300E+07 ppm1 7.497 ppm2 8.366 ASSI { 51} (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 10 and name HN )) 2.388 0.713 0.713 peak 51 weight 1.00000E+00 volume 9.50322E+07 ppm1 7.631 ppm2 7.519 ASSI { 207} (( segid " A" and resid 11 and name HB )) ( segid " A" and resid 11 and name HG2#) 2.097 0.550 0.550 peak 207 weight 1.00000E+00 volume 6.14397E+06 ppm1 4.134 ppm2 1.294 ASSI { 215} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 11 and name HA )) 2.111 0.557 0.557 peak 215 weight 1.00000E+00 volume 6.32468E+06 ppm1 1.335 ppm2 4.743 ASSI { 3442} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 11 and name HG1 )) 2.806 0.984 0.984 peak 3442 weight 1.00000E+00 volume 1.14600E+06 ppm1 1.338 ppm2 5.931 ASSI { 1031} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 11 and name HN )) 2.628 0.863 0.863 peak 1031 weight 1.00000E+00 volume 6.82132E+07 ppm1 7.499 ppm2 1.306 ASSI { 1029} (( segid " A" and resid 11 and name HA )) (( segid " A" and resid 11 and name HN )) 2.462 0.757 0.757 peak 1029 weight 1.00000E+00 volume 1.19758E+08 ppm1 7.500 ppm2 4.737 ASSI { 2334} (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 11 and name HG1 )) 2.846 1.013 1.013 peak 2334 weight 1.00000E+00 volume 5.01100E+07 ppm1 7.499 ppm2 5.974 ASSI { 256} (( segid " A" and resid 11 and name HA )) (( segid " A" and resid 12 and name HD2 )) 2.312 0.668 0.668 peak 256 weight 1.00000E+00 volume 3.66771E+06 ppm1 4.058 ppm2 4.739 ASSI { 3445} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 12 and name HD2 )) 2.583 0.834 0.834 peak 3445 weight 1.00000E+00 volume 1.88300E+06 ppm1 4.058 ppm2 1.324 ASSI { 3446} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 12 and name HD1 )) 2.520 0.794 0.794 peak 3446 weight 1.00000E+00 volume 2.18700E+06 ppm1 3.807 ppm2 1.343 ASSI { 3440} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 14 and name HB2 )) 2.818 0.992 0.992 peak 3440 weight 1.00000E+00 volume 1.11900E+06 ppm1 1.335 ppm2 3.539 ASSI { 1240} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 14 and name HN )) 3.278 1.344 1.344 peak 1240 weight 1.00000E+00 volume 2.14544E+07 ppm1 7.545 ppm2 1.304 OR { 1240} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 63 and name HN )) ASSI { 2370} (( segid " A" and resid 11 and name HA )) (( segid " A" and resid 14 and name HN )) 3.245 1.316 1.316 peak 2370 weight 1.00000E+00 volume 2.28100E+07 ppm1 7.552 ppm2 4.788 ASSI { 2346} ( segid " A" and resid 11 and name HG2#) (( segid " A" and resid 14 and name HN )) 3.279 1.344 1.344 peak 2346 weight 1.00000E+00 volume 2.14500E+07 ppm1 7.545 ppm2 1.304 ASSI { 227} (( segid " A" and resid 12 and name HB1 )) (( segid " A" and resid 12 and name HB2 )) 1.821 0.414 0.414 peak 227 weight 1.00000E+00 volume 1.53598E+07 ppm1 2.381 ppm2 1.898 ASSI { 221} (( segid " A" and resid 12 and name HA )) (( segid " A" and resid 12 and name HB1 )) 2.178 0.593 0.593 peak 221 weight 1.00000E+00 volume 3.53700E+06 ppm1 4.368 ppm2 2.397 ASSI { 238} (( segid " A" and resid 12 and name HB2 )) (( segid " A" and resid 12 and name HD2 )) 2.312 0.668 0.668 peak 238 weight 1.00000E+00 volume 3.66709E+06 ppm1 1.906 ppm2 4.057 ASSI { 243} (( segid " A" and resid 12 and name HD2 )) (( segid " A" and resid 12 and name HD1 )) 1.990 0.495 0.495 peak 243 weight 1.00000E+00 volume 7.41721E+06 ppm1 4.056 ppm2 3.815 ASSI { 253} (( segid " A" and resid 12 and name HB1 )) (( segid " A" and resid 12 and name HD2 )) 2.791 0.974 0.974 peak 253 weight 1.00000E+00 volume 1.18387E+06 ppm1 4.060 ppm2 2.370 ASSI { 261} (( segid " A" and resid 12 and name HG1 )) (( segid " A" and resid 12 and name HG2 )) 1.615 0.326 0.326 peak 261 weight 1.00000E+00 volume 3.15631E+07 ppm1 2.133 ppm2 2.011 ASSI { 264} (( segid " A" and resid 12 and name HB1 )) (( segid " A" and resid 12 and name HG2 )) 2.174 0.591 0.591 peak 264 weight 1.00000E+00 volume 5.29585E+06 ppm1 2.012 ppm2 2.353 ASSI { 252} (( segid " A" and resid 12 and name HD1 )) (( segid " A" and resid 12 and name HG1 )) 2.199 0.604 0.604 peak 252 weight 1.00000E+00 volume 3.52306E+06 ppm1 3.812 ppm2 2.161 ASSI { 266} (( segid " A" and resid 12 and name HD1 )) (( segid " A" and resid 12 and name HG2 )) 2.075 0.538 0.538 peak 266 weight 1.00000E+00 volume 7.01071E+06 ppm1 2.012 ppm2 3.811 ASSI { 251} (( segid " A" and resid 12 and name HD2 )) (( segid " A" and resid 12 and name HG1 )) 2.337 0.683 0.683 peak 251 weight 1.00000E+00 volume 1.61658E+06 ppm1 4.060 ppm2 2.164 ASSI { 269} (( segid " A" and resid 12 and name HA )) (( segid " A" and resid 12 and name HG1 )) 2.588 0.837 0.837 peak 269 weight 1.00000E+00 volume 1.86425E+06 ppm1 2.139 ppm2 4.343 ASSI { 268} (( segid " A" and resid 12 and name HD2 )) (( segid " A" and resid 12 and name HG2 )) 2.331 0.679 0.679 peak 268 weight 1.00000E+00 volume 3.04606E+06 ppm1 2.005 ppm2 4.033 ASSI { 263} (( segid " A" and resid 12 and name HB1 )) (( segid " A" and resid 12 and name HG1 )) 1.978 0.489 0.489 peak 263 weight 1.00000E+00 volume 6.21820E+06 ppm1 2.136 ppm2 2.351 ASSI { 454} (( segid " A" and resid 12 and name HA )) (( segid " A" and resid 13 and name HN )) 2.349 0.690 0.690 peak 454 weight 1.00000E+00 volume 2.25150E+07 ppm1 8.820 ppm2 4.315 ASSI { 2371} (( segid " A" and resid 12 and name HA )) (( segid " A" and resid 14 and name HN )) 3.266 1.333 1.333 peak 2371 weight 1.00000E+00 volume 2.19500E+07 ppm1 7.547 ppm2 4.325 ASSI { 275} (( segid " A" and resid 13 and name HA2 )) (( segid " A" and resid 13 and name HA1 )) 1.831 0.419 0.419 peak 275 weight 1.00000E+00 volume 5.17051E+06 ppm1 4.079 ppm2 3.688 ASSI { 631} (( segid " A" and resid 13 and name HA2 )) (( segid " A" and resid 13 and name HN )) 2.925 1.069 1.069 peak 631 weight 1.00000E+00 volume 1.95693E+07 ppm1 8.817 ppm2 4.053 ASSI { 630} (( segid " A" and resid 13 and name HA1 )) (( segid " A" and resid 13 and name HN )) 1.970 0.485 0.485 peak 630 weight 1.00000E+00 volume 1.50391E+07 ppm1 8.811 ppm2 3.708 ASSI { 356} (( segid " A" and resid 13 and name HN )) (( segid " A" and resid 14 and name HN )) 3.233 1.306 1.306 peak 356 weight 1.00000E+00 volume 2.33309E+07 ppm1 7.545 ppm2 8.814 ASSI { 633} (( segid " A" and resid 13 and name HA1 )) (( segid " A" and resid 14 and name HN )) 2.882 1.038 1.038 peak 633 weight 1.00000E+00 volume 4.65331E+07 ppm1 7.546 ppm2 3.706 ASSI { 293} (( segid " A" and resid 14 and name HB2 )) (( segid " A" and resid 14 and name HA )) 2.645 0.874 0.874 peak 293 weight 1.00000E+00 volume 1.63675E+06 ppm1 3.557 ppm2 5.691 ASSI { 1238} (( segid " A" and resid 14 and name HB2 )) (( segid " A" and resid 14 and name HN )) 2.775 0.962 0.962 peak 1238 weight 1.00000E+00 volume 5.83828E+07 ppm1 7.549 ppm2 3.545 ASSI { 2305} (( segid " A" and resid 14 and name HA )) (( segid " A" and resid 14 and name HN )) 2.886 1.041 1.041 peak 2305 weight 1.00000E+00 volume 4.60600E+07 ppm1 7.546 ppm2 5.701 ASSI { 1611} (( segid " A" and resid 14 and name HB1 )) (( segid " A" and resid 14 and name HN )) 2.491 0.776 0.776 peak 1611 weight 1.00000E+00 volume 1.11394E+08 ppm1 7.554 ppm2 3.717 ASSI { 1168} (( segid " A" and resid 14 and name HA )) (( segid " A" and resid 15 and name HN )) 2.701 0.912 0.912 peak 1168 weight 1.00000E+00 volume 6.86339E+07 ppm1 8.462 ppm2 5.685 ASSI { 1242} (( segid " A" and resid 14 and name HB2 )) (( segid " A" and resid 15 and name HN )) 2.728 0.930 0.930 peak 1242 weight 1.00000E+00 volume 6.46726E+07 ppm1 8.460 ppm2 3.572 ASSI { 1243} (( segid " A" and resid 14 and name HB1 )) (( segid " A" and resid 15 and name HN )) 3.018 1.138 1.138 peak 1243 weight 1.00000E+00 volume 3.52578E+07 ppm1 8.462 ppm2 3.705 ASSI { 1310} (( segid " A" and resid 14 and name HB2 )) (( segid " A" and resid 18 and name HN )) 2.796 0.977 0.977 peak 1310 weight 1.00000E+00 volume 5.57628E+07 ppm1 8.391 ppm2 3.572 ASSI { 299} (( segid " A" and resid 15 and name HB1 )) (( segid " A" and resid 15 and name HB2 )) 1.774 0.393 0.393 peak 299 weight 1.00000E+00 volume 1.79609E+07 ppm1 3.934 ppm2 4.087 ASSI { 636} (( segid " A" and resid 15 and name HB1 )) (( segid " A" and resid 15 and name HN )) 2.089 0.545 0.545 peak 636 weight 1.00000E+00 volume 3.20894E+08 ppm1 8.462 ppm2 4.059 ASSI { 1169} (( segid " A" and resid 15 and name HN )) (( segid " A" and resid 15 and name HA )) 2.608 0.850 0.850 peak 1169 weight 1.00000E+00 volume 8.47466E+07 ppm1 8.461 ppm2 4.796 ASSI { 606} (( segid " A" and resid 15 and name HB2 )) (( segid " A" and resid 16 and name HN )) 2.979 1.109 1.109 peak 606 weight 1.00000E+00 volume 3.81061E+07 ppm1 10.561 ppm2 3.917 ASSI { 607} (( segid " A" and resid 15 and name HB1 )) (( segid " A" and resid 16 and name HN )) 2.749 0.945 0.945 peak 607 weight 1.00000E+00 volume 6.16785E+07 ppm1 10.561 ppm2 4.058 ASSI { 1338} (( segid " A" and resid 15 and name HB1 )) (( segid " A" and resid 18 and name HN )) 3.086 1.190 1.190 peak 1338 weight 1.00000E+00 volume 3.08473E+07 ppm1 8.380 ppm2 4.056 OR { 1338} (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 26 and name HN )) OR { 1338} (( segid " A" and resid 68 and name HA )) (( segid " A" and resid 69 and name HN )) ASSI { 2353} (( segid " A" and resid 15 and name HB1 )) (( segid " A" and resid 18 and name HN )) 2.742 0.940 0.940 peak 2353 weight 1.00000E+00 volume 6.27100E+07 ppm1 8.388 ppm2 4.053 ASSI { 1170} (( segid " A" and resid 16 and name HN )) (( segid " A" and resid 15 and name HA )) 2.723 0.927 0.927 peak 1170 weight 1.00000E+00 volume 6.53794E+07 ppm1 10.561 ppm2 4.798 ASSI { 1249} ( segid " A" and resid 16 and name HG2#) (( segid " A" and resid 16 and name HN )) 2.940 1.081 1.081 peak 1249 weight 1.00000E+00 volume 4.12420E+07 ppm1 10.563 ppm2 0.156 ASSI { 2350} (( segid " A" and resid 16 and name HN )) (( segid " A" and resid 16 and name HB )) 2.361 0.697 0.697 peak 2350 weight 1.00000E+00 volume 1.53800E+08 ppm1 10.562 ppm2 3.583 ASSI { 2358} ( segid " A" and resid 16 and name HG2#) (( segid " A" and resid 20 and name HN )) 3.280 1.344 1.344 peak 2358 weight 1.00000E+00 volume 2.14100E+07 ppm1 8.583 ppm2 0.147 ASSI { 180} ( segid " A" and resid 18 and name HG2#) ( segid " A" and resid 8 and name HB# ) 2.471 0.763 0.763 peak 180 weight 1.00000E+00 volume 2.45715E+06 ppm1 1.164 ppm2 0.950 ASSI { 205} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 11 and name HB )) 2.472 0.764 0.764 peak 205 weight 1.00000E+00 volume 2.45342E+06 ppm1 4.125 ppm2 0.815 ASSI { 210} ( segid " A" and resid 18 and name HG1#) ( segid " A" and resid 11 and name HG2#) 2.461 0.757 0.757 peak 210 weight 1.00000E+00 volume 2.51894E+06 ppm1 1.340 ppm2 0.834 ASSI { 3456} ( segid " A" and resid 18 and name HG2#) ( segid " A" and resid 11 and name HG2#) 2.672 0.893 0.893 peak 3456 weight 1.00000E+00 volume 1.53800E+06 ppm1 0.943 ppm2 1.357 ASSI { 2344} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 11 and name HN )) 3.269 1.336 1.336 peak 2344 weight 1.00000E+00 volume 2.18100E+07 ppm1 7.503 ppm2 0.863 ASSI { 3452} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 14 and name HB1 )) 2.156 0.581 0.581 peak 3452 weight 1.00000E+00 volume 5.57054E+06 ppm1 0.856 ppm2 3.717 ASSI { 3457} ( segid " A" and resid 18 and name HG2#) (( segid " A" and resid 14 and name HB1 )) 2.111 0.557 0.557 peak 3457 weight 1.00000E+00 volume 6.32700E+06 ppm1 0.945 ppm2 3.674 ASSI { 4247} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 14 and name HN )) 2.486 0.773 0.773 peak 4247 weight 1.00000E+00 volume 2.36886E+06 ppm1 0.888 ppm2 7.567 ASSI { 3458} ( segid " A" and resid 18 and name HG2#) (( segid " A" and resid 15 and name HB1 )) 2.613 0.854 0.854 peak 3458 weight 1.00000E+00 volume 1.75700E+06 ppm1 0.945 ppm2 4.087 ASSI { 2349} ( segid " A" and resid 18 and name HG2#) (( segid " A" and resid 15 and name HN )) 3.123 1.219 1.219 peak 2349 weight 1.00000E+00 volume 2.87000E+07 ppm1 8.460 ppm2 0.903 ASSI { 676} (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 16 and name HA )) 2.712 0.919 0.919 peak 676 weight 1.00000E+00 volume 6.70229E+07 ppm1 8.390 ppm2 3.690 ASSI { 1668} (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 16 and name HA )) 2.830 1.001 1.001 peak 1668 weight 1.00000E+00 volume 5.18920E+07 ppm1 8.385 ppm2 3.704 OR { 1668} (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 19 and name HA )) ASSI { 303} (( segid " A" and resid 18 and name HA )) (( segid " A" and resid 18 and name HB )) 2.455 0.753 0.753 peak 303 weight 1.00000E+00 volume 2.55838E+06 ppm1 3.287 ppm2 2.091 ASSI { 308} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 18 and name HB )) 1.804 0.407 0.407 peak 308 weight 1.00000E+00 volume 1.62631E+07 ppm1 0.858 ppm2 2.115 ASSI { 1032} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 18 and name HN )) 2.288 0.655 0.655 peak 1032 weight 1.00000E+00 volume 1.85553E+08 ppm1 8.389 ppm2 0.852 ASSI { 322} ( segid " A" and resid 18 and name HG2#) (( segid " A" and resid 18 and name HB )) 2.035 0.517 0.517 peak 322 weight 1.00000E+00 volume 7.89399E+06 ppm1 0.944 ppm2 2.120 ASSI { 324} ( segid " A" and resid 18 and name HG2#) (( segid " A" and resid 18 and name HA )) 2.098 0.550 0.550 peak 324 weight 1.00000E+00 volume 6.55747E+06 ppm1 0.944 ppm2 3.295 ASSI { 988} ( segid " A" and resid 18 and name HG2#) (( segid " A" and resid 18 and name HN )) 2.118 0.561 0.561 peak 988 weight 1.00000E+00 volume 2.95421E+08 ppm1 8.389 ppm2 0.924 ASSI { 637} (( segid " A" and resid 18 and name HA )) (( segid " A" and resid 18 and name HN )) 2.537 0.804 0.804 peak 637 weight 1.00000E+00 volume 9.99585E+07 ppm1 8.390 ppm2 3.259 ASSI { 79} (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 19 and name HN )) 2.561 0.820 0.820 peak 79 weight 1.00000E+00 volume 9.17205E+07 ppm1 8.389 ppm2 7.751 ASSI { 455} (( segid " A" and resid 18 and name HA )) (( segid " A" and resid 19 and name HN )) 3.003 1.128 1.128 peak 455 weight 1.00000E+00 volume 3.62969E+07 ppm1 7.748 ppm2 3.262 ASSI { 1033} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 19 and name HN )) 2.435 0.741 0.741 peak 1033 weight 1.00000E+00 volume 1.27731E+08 ppm1 7.748 ppm2 0.845 ASSI { 1034} ( segid " A" and resid 18 and name HG2#) (( segid " A" and resid 19 and name HN )) 2.694 0.907 0.907 peak 1034 weight 1.00000E+00 volume 6.96857E+07 ppm1 7.747 ppm2 0.925 ASSI { 2359} (( segid " A" and resid 18 and name HA )) (( segid " A" and resid 20 and name HN )) 3.228 1.302 1.302 peak 2359 weight 1.00000E+00 volume 2.35500E+07 ppm1 8.580 ppm2 3.268 ASSI { 3451} (( segid " A" and resid 18 and name HA )) ( segid " A" and resid 21 and name HG1#) 2.017 0.509 0.509 peak 3451 weight 1.00000E+00 volume 8.30200E+06 ppm1 3.291 ppm2 0.905 ASSI { 468} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 22 and name HE1 )) 2.237 0.625 0.625 peak 468 weight 1.00000E+00 volume 4.46996E+06 ppm1 2.859 ppm2 0.860 ASSI { 310} ( segid " A" and resid 18 and name HG1#) (( segid " A" and resid 22 and name HE2 )) 2.093 0.548 0.548 peak 310 weight 1.00000E+00 volume 3.68437E+06 ppm1 0.852 ppm2 2.793 ASSI { 345} ( segid " A" and resid 19 and name HG2#) ( segid " A" and resid 16 and name HG2#) 3.028 1.146 1.146 peak 345 weight 1.00000E+00 volume 7.25955E+05 ppm1 1.092 ppm2 0.172 ASSI { 332} (( segid " A" and resid 19 and name HA )) ( segid " A" and resid 19 and name HG2#) 2.006 0.503 0.503 peak 332 weight 1.00000E+00 volume 4.41610E+06 ppm1 3.739 ppm2 1.102 ASSI { 350} ( segid " A" and resid 19 and name HG2#) (( segid " A" and resid 19 and name HB )) 2.017 0.508 0.508 peak 350 weight 1.00000E+00 volume 8.32285E+06 ppm1 1.090 ppm2 4.252 ASSI { 3462} (( segid " A" and resid 19 and name HA )) (( segid " A" and resid 19 and name HB )) 2.409 0.726 0.726 peak 3462 weight 1.00000E+00 volume 2.86200E+06 ppm1 4.254 ppm2 3.727 ASSI { 639} (( segid " A" and resid 19 and name HB )) (( segid " A" and resid 19 and name HN )) 2.285 0.652 0.652 peak 639 weight 1.00000E+00 volume 1.87320E+08 ppm1 7.748 ppm2 4.232 ASSI { 640} (( segid " A" and resid 19 and name HA )) (( segid " A" and resid 19 and name HN )) 2.425 0.735 0.735 peak 640 weight 1.00000E+00 volume 1.31032E+08 ppm1 7.747 ppm2 3.714 ASSI { 359} (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 20 and name HN )) 2.401 0.721 0.721 peak 359 weight 1.00000E+00 volume 1.19236E+08 ppm1 7.748 ppm2 8.573 ASSI { 457} (( segid " A" and resid 19 and name HB )) (( segid " A" and resid 20 and name HN )) 2.396 0.718 0.718 peak 457 weight 1.00000E+00 volume 1.40715E+08 ppm1 8.580 ppm2 4.233 ASSI { 678} (( segid " A" and resid 19 and name HN )) ( segid " A" and resid 20 and name HB# ) 3.075 1.182 1.182 peak 678 weight 1.00000E+00 volume 3.14954E+07 ppm1 7.750 ppm2 1.324 ASSI { 1264} (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 21 and name HN )) 3.371 1.420 1.420 peak 1264 weight 1.00000E+00 volume 1.81690E+07 ppm1 7.746 ppm2 8.736 ASSI { 3463} ( segid " A" and resid 19 and name HG2#) ( segid " A" and resid 22 and name HD# ) 2.630 0.865 0.865 peak 3463 weight 1.00000E+00 volume 1.69000E+06 ppm1 1.089 ppm2 1.590 ASSI { 347} ( segid " A" and resid 19 and name HG2#) (( segid " A" and resid 23 and name HB )) 2.478 0.768 0.768 peak 347 weight 1.00000E+00 volume 2.41558E+06 ppm1 1.092 ppm2 2.059 ASSI { 3520} (( segid " A" and resid 19 and name HB )) ( segid " A" and resid 23 and name HG1#) 2.963 1.097 1.097 peak 3520 weight 1.00000E+00 volume 8.28128E+05 ppm1 1.083 ppm2 4.239 ASSI { 358} (( segid " A" and resid 20 and name HA )) ( segid " A" and resid 20 and name HB# ) 1.986 0.493 0.493 peak 358 weight 1.00000E+00 volume 5.21982E+06 ppm1 3.812 ppm2 1.341 ASSI { 642} (( segid " A" and resid 20 and name HA )) (( segid " A" and resid 20 and name HN )) 2.447 0.748 0.748 peak 642 weight 1.00000E+00 volume 1.24223E+08 ppm1 8.580 ppm2 3.717 ASSI { 643} ( segid " A" and resid 20 and name HB# ) (( segid " A" and resid 20 and name HN )) 2.074 0.537 0.537 peak 643 weight 1.00000E+00 volume 2.74129E+08 ppm1 8.581 ppm2 1.320 ASSI { 3469} (( segid " A" and resid 20 and name HA )) (( segid " A" and resid 21 and name HN )) 2.669 0.891 0.891 peak 3469 weight 1.00000E+00 volume 1.54800E+06 ppm1 3.818 ppm2 8.719 ASSI { 3479} ( segid " A" and resid 20 and name HB# ) (( segid " A" and resid 21 and name HN )) 2.285 0.652 0.652 peak 3479 weight 1.00000E+00 volume 3.93700E+06 ppm1 1.344 ppm2 8.715 ASSI { 153} (( segid " A" and resid 20 and name HN )) (( segid " A" and resid 21 and name HN )) 2.520 0.794 0.794 peak 153 weight 1.00000E+00 volume 5.85136E+07 ppm1 8.756 ppm2 8.586 ASSI { 2364} (( segid " A" and resid 20 and name HA )) (( segid " A" and resid 23 and name HN )) 2.643 0.873 0.873 peak 2364 weight 1.00000E+00 volume 7.81100E+07 ppm1 8.514 ppm2 3.788 ASSI { 2378} (( segid " A" and resid 20 and name HA )) (( segid " A" and resid 24 and name HN )) 3.059 1.170 1.170 peak 2378 weight 1.00000E+00 volume 3.25100E+07 ppm1 8.176 ppm2 3.783 ASSI { 370} ( segid " A" and resid 20 and name HB# ) ( segid " A" and resid 64 and name HD1#) 1.767 0.390 0.390 peak 370 weight 1.00000E+00 volume 1.83633E+07 ppm1 1.345 ppm2 0.881 ASSI { 1388} (( segid " A" and resid 20 and name HA )) ( segid " A" and resid 64 and name HD1#) 2.108 0.555 0.555 peak 1388 weight 1.00000E+00 volume 6.37963E+06 ppm1 0.899 ppm2 3.806 OR { 1388} (( segid " A" and resid 55 and name HA )) ( segid " A" and resid 58 and name HG1#) ASSI { 3466} (( segid " A" and resid 20 and name HA )) ( segid " A" and resid 64 and name HD1#) 2.092 0.547 0.547 peak 3466 weight 1.00000E+00 volume 6.68300E+06 ppm1 3.813 ppm2 0.887 ASSI { 369} ( segid " A" and resid 20 and name HB# ) ( segid " A" and resid 68 and name HD1#) 1.935 0.468 0.468 peak 369 weight 1.00000E+00 volume 1.06507E+07 ppm1 1.346 ppm2 0.644 ASSI { 372} ( segid " A" and resid 20 and name HB# ) (( segid " A" and resid 68 and name HG )) 2.399 0.719 0.719 peak 372 weight 1.00000E+00 volume 2.93729E+06 ppm1 1.348 ppm2 1.854 ASSI { 1550} (( segid " A" and resid 20 and name HA )) ( segid " A" and resid 68 and name HD1#) 2.581 0.833 0.833 peak 1550 weight 1.00000E+00 volume 1.09865E+06 ppm1 0.649 ppm2 3.796 ASSI { 3726} ( segid " A" and resid 20 and name HB# ) ( segid " A" and resid 68 and name HD2#) 2.100 0.551 0.551 peak 3726 weight 1.00000E+00 volume 6.53500E+06 ppm1 0.622 ppm2 1.332 ASSI { 391} (( segid " A" and resid 21 and name HA )) (( segid " A" and resid 21 and name HB )) 2.556 0.817 0.817 peak 391 weight 1.00000E+00 volume 2.00739E+06 ppm1 3.366 ppm2 2.056 ASSI { 408} (( segid " A" and resid 21 and name HA )) ( segid " A" and resid 21 and name HG2#) 2.152 0.579 0.579 peak 408 weight 1.00000E+00 volume 5.63798E+06 ppm1 0.711 ppm2 3.342 ASSI { 397} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 21 and name HB )) 1.987 0.493 0.493 peak 397 weight 1.00000E+00 volume 4.91378E+06 ppm1 2.084 ppm2 0.717 ASSI { 421} ( segid " A" and resid 21 and name HG1#) (( segid " A" and resid 21 and name HN )) 2.223 0.618 0.618 peak 421 weight 1.00000E+00 volume 4.63906E+06 ppm1 0.891 ppm2 8.703 ASSI { 396} ( segid " A" and resid 21 and name HG1#) (( segid " A" and resid 21 and name HB )) 1.836 0.422 0.422 peak 396 weight 1.00000E+00 volume 1.35669E+07 ppm1 2.082 ppm2 0.899 ASSI { 1036} (( segid " A" and resid 21 and name HA )) (( segid " A" and resid 21 and name HN )) 2.746 0.942 0.942 peak 1036 weight 1.00000E+00 volume 6.21972E+07 ppm1 8.757 ppm2 3.345 ASSI { 1037} (( segid " A" and resid 21 and name HB )) (( segid " A" and resid 21 and name HN )) 2.524 0.796 0.796 peak 1037 weight 1.00000E+00 volume 1.03128E+08 ppm1 8.758 ppm2 2.058 ASSI { 407} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 22 and name HA )) 2.375 0.705 0.705 peak 407 weight 1.00000E+00 volume 1.40022E+06 ppm1 0.712 ppm2 4.052 ASSI { 3483} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 22 and name HN )) 2.710 0.918 0.918 peak 3483 weight 1.00000E+00 volume 1.41400E+06 ppm1 0.706 ppm2 7.772 ASSI { 1042} ( segid " A" and resid 21 and name HG1#) (( segid " A" and resid 22 and name HN )) 2.439 0.744 0.744 peak 1042 weight 1.00000E+00 volume 4.21849E+07 ppm1 7.769 ppm2 0.866 ASSI { 154} (( segid " A" and resid 21 and name HN )) (( segid " A" and resid 22 and name HN )) 2.773 0.961 0.961 peak 154 weight 1.00000E+00 volume 5.85814E+07 ppm1 8.758 ppm2 7.760 ASSI { 366} (( segid " A" and resid 21 and name HN )) (( segid " A" and resid 23 and name HN )) 3.102 1.203 1.203 peak 366 weight 1.00000E+00 volume 2.99182E+07 ppm1 8.511 ppm2 8.733 ASSI { 1043} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 23 and name HN )) 3.316 1.375 1.375 peak 1043 weight 1.00000E+00 volume 2.00265E+07 ppm1 8.515 ppm2 0.695 ASSI { 2365} (( segid " A" and resid 21 and name HA )) (( segid " A" and resid 23 and name HN )) 3.297 1.359 1.359 peak 2365 weight 1.00000E+00 volume 2.07500E+07 ppm1 8.513 ppm2 3.349 ASSI { 553} (( segid " A" and resid 21 and name HA )) ( segid " A" and resid 24 and name HB# ) 2.188 0.598 0.598 peak 553 weight 1.00000E+00 volume 2.66228E+06 ppm1 1.284 ppm2 3.355 ASSI { 2377} (( segid " A" and resid 21 and name HA )) (( segid " A" and resid 24 and name HN )) 3.040 1.156 1.156 peak 2377 weight 1.00000E+00 volume 3.37200E+07 ppm1 8.176 ppm2 3.348 ASSI { 1061} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 25 and name HN )) 3.220 1.296 1.296 peak 1061 weight 1.00000E+00 volume 2.39061E+07 ppm1 7.893 ppm2 0.736 ASSI { 390} (( segid " A" and resid 21 and name HA )) (( segid " A" and resid 26 and name HB2 )) 2.383 0.710 0.710 peak 390 weight 1.00000E+00 volume 3.05918E+06 ppm1 3.370 ppm2 1.647 ASSI { 406} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 26 and name HA )) 2.722 0.926 0.926 peak 406 weight 1.00000E+00 volume 1.37564E+06 ppm1 0.712 ppm2 4.639 ASSI { 3484} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 27 and name HN )) 2.488 0.774 0.774 peak 3484 weight 1.00000E+00 volume 2.35900E+06 ppm1 0.713 ppm2 7.536 ASSI { 2391} (( segid " A" and resid 21 and name HA )) (( segid " A" and resid 27 and name HN )) 3.357 1.408 1.408 peak 2391 weight 1.00000E+00 volume 1.86200E+07 ppm1 7.514 ppm2 3.313 ASSI { 413} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 30 and name HG )) 2.272 0.645 0.645 peak 413 weight 1.00000E+00 volume 4.07051E+06 ppm1 0.711 ppm2 1.527 ASSI { 392} (( segid " A" and resid 21 and name HA )) (( segid " A" and resid 65 and name HA2 )) 2.858 1.021 1.021 peak 392 weight 1.00000E+00 volume 1.02782E+06 ppm1 3.366 ppm2 3.595 ASSI { 1401} ( segid " A" and resid 21 and name HG2#) (( segid " A" and resid 65 and name HA2 )) 2.549 0.812 0.812 peak 1401 weight 1.00000E+00 volume 2.03908E+06 ppm1 3.579 ppm2 0.698 ASSI { 471} (( segid " A" and resid 22 and name HE1 )) ( segid " A" and resid 19 and name HG2#) 2.800 0.980 0.980 peak 471 weight 1.00000E+00 volume 1.16209E+06 ppm1 2.862 ppm2 1.059 ASSI { 3461} (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 19 and name HA )) 2.327 0.677 0.677 peak 3461 weight 1.00000E+00 volume 3.52600E+06 ppm1 3.743 ppm2 1.925 ASSI { 3496} (( segid " A" and resid 22 and name HB2 )) ( segid " A" and resid 19 and name HG2#) 2.503 0.783 0.783 peak 3496 weight 1.00000E+00 volume 2.27600E+06 ppm1 1.915 ppm2 1.088 ASSI { 3497} (( segid " A" and resid 22 and name HB1 )) ( segid " A" and resid 19 and name HG2#) 2.428 0.737 0.737 peak 3497 weight 1.00000E+00 volume 2.73300E+06 ppm1 1.987 ppm2 1.090 ASSI { 3501} (( segid " A" and resid 22 and name HE2 )) ( segid " A" and resid 19 and name HG2#) 2.411 0.726 0.726 peak 3501 weight 1.00000E+00 volume 2.85300E+06 ppm1 2.775 ppm2 1.061 ASSI { 1268} (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 20 and name HN )) 3.299 1.360 1.360 peak 1268 weight 1.00000E+00 volume 2.06710E+07 ppm1 8.580 ppm2 1.922 ASSI { 2374} (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 21 and name HN )) 3.308 1.368 1.368 peak 2374 weight 1.00000E+00 volume 2.03300E+07 ppm1 8.761 ppm2 1.953 ASSI { 435} (( segid " A" and resid 22 and name HG2 )) (( segid " A" and resid 22 and name HA )) 2.325 0.676 0.676 peak 435 weight 1.00000E+00 volume 3.54295E+06 ppm1 4.053 ppm2 1.281 ASSI { 645} (( segid " A" and resid 22 and name HB1 )) (( segid " A" and resid 22 and name HN )) 2.593 0.841 0.841 peak 645 weight 1.00000E+00 volume 5.27965E+07 ppm1 7.775 ppm2 2.007 ASSI { 448} (( segid " A" and resid 22 and name HB1 )) ( segid " A" and resid 22 and name HD# ) 2.067 0.534 0.534 peak 448 weight 1.00000E+00 volume 7.17363E+06 ppm1 1.987 ppm2 1.625 ASSI { 449} (( segid " A" and resid 22 and name HB1 )) (( segid " A" and resid 22 and name HG2 )) 2.493 0.777 0.777 peak 449 weight 1.00000E+00 volume 2.33197E+06 ppm1 1.990 ppm2 1.305 ASSI { 455} (( segid " A" and resid 22 and name HE2 )) ( segid " A" and resid 22 and name HD# ) 1.907 0.454 0.454 peak 455 weight 1.00000E+00 volume 8.30463E+06 ppm1 1.602 ppm2 2.788 ASSI { 472} (( segid " A" and resid 22 and name HG2 )) (( segid " A" and resid 22 and name HE1 )) 2.365 0.699 0.699 peak 472 weight 1.00000E+00 volume 3.19718E+06 ppm1 2.859 ppm2 1.290 ASSI { 474} (( segid " A" and resid 22 and name HE1 )) ( segid " A" and resid 22 and name HD# ) 2.004 0.502 0.502 peak 474 weight 1.00000E+00 volume 8.64769E+06 ppm1 2.861 ppm2 1.615 ASSI { 477} (( segid " A" and resid 22 and name HB1 )) (( segid " A" and resid 22 and name HE2 )) 2.321 0.674 0.674 peak 477 weight 1.00000E+00 volume 3.57700E+06 ppm1 2.777 ppm2 1.978 ASSI { 488} (( segid " A" and resid 22 and name HG2 )) (( segid " A" and resid 22 and name HG1 )) 2.013 0.507 0.507 peak 488 weight 1.00000E+00 volume 8.40702E+06 ppm1 1.600 ppm2 1.289 ASSI { 490} (( segid " A" and resid 22 and name HG2 )) ( segid " A" and resid 22 and name HD# ) 1.844 0.425 0.425 peak 490 weight 1.00000E+00 volume 1.42201E+07 ppm1 1.287 ppm2 1.600 ASSI { 496} (( segid " A" and resid 22 and name HG1 )) (( segid " A" and resid 22 and name HE2 )) 2.734 0.934 0.934 peak 496 weight 1.00000E+00 volume 1.34064E+06 ppm1 1.605 ppm2 2.802 ASSI { 473} (( segid " A" and resid 22 and name HG2 )) (( segid " A" and resid 22 and name HE2 )) 2.521 0.795 0.795 peak 473 weight 1.00000E+00 volume 2.17965E+06 ppm1 2.774 ppm2 1.291 ASSI { 434} (( segid " A" and resid 22 and name HG1 )) (( segid " A" and resid 22 and name HA )) 2.274 0.646 0.646 peak 434 weight 1.00000E+00 volume 4.04969E+06 ppm1 4.052 ppm2 1.589 ASSI { 3504} (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 22 and name HG1 )) 2.255 0.635 0.635 peak 3504 weight 1.00000E+00 volume 4.26100E+06 ppm1 1.601 ppm2 1.944 ASSI { 233} (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 22 and name HG2 )) 2.324 0.675 0.675 peak 233 weight 1.00000E+00 volume 3.54911E+06 ppm1 1.915 ppm2 1.307 ASSI { 1273} (( segid " A" and resid 22 and name HG2 )) (( segid " A" and resid 22 and name HN )) 2.797 0.978 0.978 peak 1273 weight 1.00000E+00 volume 2.41565E+07 ppm1 7.767 ppm2 1.262 ASSI { 1274} (( segid " A" and resid 22 and name HG1 )) (( segid " A" and resid 22 and name HN )) 2.904 1.054 1.054 peak 1274 weight 1.00000E+00 volume 4.28183E+07 ppm1 7.767 ppm2 1.574 ASSI { 1278} (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 22 and name HN )) 2.706 0.915 0.915 peak 1278 weight 1.00000E+00 volume 2.54786E+07 ppm1 7.769 ppm2 4.051 ASSI { 3495} (( segid " A" and resid 22 and name HB1 )) (( segid " A" and resid 23 and name HN )) 2.566 0.823 0.823 peak 3495 weight 1.00000E+00 volume 1.96300E+06 ppm1 1.987 ppm2 8.515 ASSI { 3521} (( segid " A" and resid 22 and name HN )) ( segid " A" and resid 23 and name HG1#) 2.722 0.926 0.926 peak 3521 weight 1.00000E+00 volume 1.37501E+06 ppm1 1.086 ppm2 7.768 ASSI { 367} (( segid " A" and resid 22 and name HN )) (( segid " A" and resid 23 and name HN )) 2.457 0.754 0.754 peak 367 weight 1.00000E+00 volume 1.21144E+08 ppm1 8.514 ppm2 7.767 ASSI { 462} (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 23 and name HN )) 2.729 0.931 0.931 peak 462 weight 1.00000E+00 volume 6.44418E+07 ppm1 8.514 ppm2 4.049 ASSI { 1282} (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 23 and name HN )) 2.327 0.677 0.677 peak 1282 weight 1.00000E+00 volume 1.67713E+08 ppm1 8.514 ppm2 1.931 ASSI { 2380} (( segid " A" and resid 22 and name HN )) (( segid " A" and resid 24 and name HN )) 3.209 1.287 1.287 peak 2380 weight 1.00000E+00 volume 2.44100E+07 ppm1 8.178 ppm2 7.761 ASSI { 2395} (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 24 and name HN )) 3.125 1.221 1.221 peak 2395 weight 1.00000E+00 volume 2.86000E+07 ppm1 8.163 ppm2 4.027 ASSI { 493} (( segid " A" and resid 22 and name HG1 )) ( segid " A" and resid 27 and name HG2#) 1.712 0.366 0.366 peak 493 weight 1.00000E+00 volume 3.95744E+06 ppm1 1.601 ppm2 0.893 ASSI { 642} (( segid " A" and resid 22 and name HG2 )) ( segid " A" and resid 27 and name HG2#) 1.835 0.421 0.421 peak 642 weight 1.00000E+00 volume 1.46732E+07 ppm1 0.897 ppm2 1.298 ASSI { 3491} (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 27 and name HB )) 2.236 0.625 0.625 peak 3491 weight 1.00000E+00 volume 4.47600E+06 ppm1 4.057 ppm2 1.943 ASSI { 631} (( segid " A" and resid 22 and name HA )) ( segid " A" and resid 27 and name HG2#) 1.986 0.493 0.493 peak 631 weight 1.00000E+00 volume 9.13185E+06 ppm1 0.896 ppm2 4.070 ASSI { 3544} (( segid " A" and resid 22 and name HN )) ( segid " A" and resid 27 and name HG2#) 2.459 0.756 0.756 peak 3544 weight 1.00000E+00 volume 2.53200E+06 ppm1 0.895 ppm2 7.753 ASSI { 2390} (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 27 and name HN )) 2.974 1.105 1.105 peak 2390 weight 1.00000E+00 volume 3.85200E+07 ppm1 7.513 ppm2 4.050 ASSI { 510} (( segid " A" and resid 23 and name HB )) ( segid " A" and resid 23 and name HG# ) 2.055 0.528 0.528 peak 510 weight 1.00000E+00 volume 7.42993E+06 ppm1 2.043 ppm2 1.049 ASSI { 517} (( segid " A" and resid 23 and name HB )) ( segid " A" and resid 23 and name HG2#) 1.867 0.436 0.436 peak 517 weight 1.00000E+00 volume 1.32328E+07 ppm1 1.008 ppm2 2.047 ASSI { 522} ( segid " A" and resid 23 and name HG2#) (( segid " A" and resid 23 and name HA )) 1.849 0.427 0.427 peak 522 weight 1.00000E+00 volume 1.40310E+07 ppm1 1.008 ppm2 3.686 ASSI { 533} (( segid " A" and resid 23 and name HB )) ( segid " A" and resid 23 and name HG1#) 1.926 0.464 0.464 peak 533 weight 1.00000E+00 volume 1.09567E+07 ppm1 1.088 ppm2 2.031 ASSI { 1206} (( segid " A" and resid 23 and name HB )) (( segid " A" and resid 23 and name HA )) 2.483 0.771 0.771 peak 1206 weight 1.00000E+00 volume 2.38800E+06 ppm1 3.660 ppm2 2.072 ASSI { 647} (( segid " A" and resid 23 and name HN )) (( segid " A" and resid 23 and name HA )) 2.314 0.669 0.669 peak 647 weight 1.00000E+00 volume 1.73693E+08 ppm1 8.514 ppm2 3.653 ASSI { 909} ( segid " A" and resid 23 and name HG1#) (( segid " A" and resid 23 and name HN )) 2.028 0.514 0.514 peak 909 weight 1.00000E+00 volume 3.18372E+08 ppm1 8.515 ppm2 1.080 ASSI { 1283} (( segid " A" and resid 23 and name HB )) (( segid " A" and resid 23 and name HN )) 2.124 0.564 0.564 peak 1283 weight 1.00000E+00 volume 2.89871E+08 ppm1 8.515 ppm2 2.038 ASSI { 3516} ( segid " A" and resid 23 and name HG1#) ( segid " A" and resid 24 and name HB# ) 2.124 0.564 0.564 peak 3516 weight 1.00000E+00 volume 6.10100E+06 ppm1 1.089 ppm2 1.268 ASSI { 143} (( segid " A" and resid 23 and name HN )) (( segid " A" and resid 24 and name HN )) 2.460 0.757 0.757 peak 143 weight 1.00000E+00 volume 1.20071E+08 ppm1 8.515 ppm2 8.172 ASSI { 463} (( segid " A" and resid 23 and name HA )) (( segid " A" and resid 24 and name HN )) 2.709 0.917 0.917 peak 463 weight 1.00000E+00 volume 6.74053E+07 ppm1 8.177 ppm2 3.652 ASSI { 908} ( segid " A" and resid 23 and name HG1#) (( segid " A" and resid 24 and name HN )) 2.570 0.826 0.826 peak 908 weight 1.00000E+00 volume 9.24084E+07 ppm1 8.176 ppm2 1.076 ASSI { 912} ( segid " A" and resid 23 and name HG2#) (( segid " A" and resid 25 and name HN )) 3.197 1.278 1.278 peak 912 weight 1.00000E+00 volume 2.49525E+07 ppm1 7.889 ppm2 1.042 ASSI { 1320} (( segid " A" and resid 23 and name HA )) (( segid " A" and resid 25 and name HN )) 3.105 1.205 1.205 peak 1320 weight 1.00000E+00 volume 2.97117E+07 ppm1 7.894 ppm2 3.650 ASSI { 547} (( segid " A" and resid 24 and name HA )) (( segid " A" and resid 24 and name HN )) 2.408 0.725 0.725 peak 547 weight 1.00000E+00 volume 2.87512E+06 ppm1 4.168 ppm2 8.164 ASSI { 545} (( segid " A" and resid 24 and name HA )) ( segid " A" and resid 24 and name HB# ) 1.772 0.392 0.392 peak 545 weight 1.00000E+00 volume 1.19903E+07 ppm1 4.166 ppm2 1.284 ASSI { 650} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 24 and name HN )) 2.109 0.556 0.556 peak 650 weight 1.00000E+00 volume 2.52374E+08 ppm1 8.178 ppm2 1.260 ASSI { 3528} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 25 and name HB2 )) 3.228 1.302 1.302 peak 3528 weight 1.00000E+00 volume 4.95000E+05 ppm1 3.234 ppm2 1.294 ASSI { 146} (( segid " A" and resid 24 and name HN )) (( segid " A" and resid 25 and name HN )) 2.483 0.770 0.770 peak 146 weight 1.00000E+00 volume 1.03713E+08 ppm1 8.178 ppm2 7.897 ASSI { 465} (( segid " A" and resid 24 and name HA )) (( segid " A" and resid 25 and name HN )) 2.721 0.925 0.925 peak 465 weight 1.00000E+00 volume 6.56913E+07 ppm1 7.891 ppm2 4.147 ASSI { 466} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 25 and name HN )) 2.517 0.792 0.792 peak 466 weight 1.00000E+00 volume 8.42754E+07 ppm1 7.894 ppm2 1.266 ASSI { 3527} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 26 and name HN )) 2.402 0.721 0.721 peak 3527 weight 1.00000E+00 volume 2.91200E+06 ppm1 1.281 ppm2 8.350 ASSI { 3536} ( segid " A" and resid 24 and name HB# ) ( segid " A" and resid 26 and name HD1#) 1.886 0.445 0.445 peak 3536 weight 1.00000E+00 volume 1.24400E+07 ppm1 0.800 ppm2 1.287 ASSI { 1319} (( segid " A" and resid 24 and name HN )) (( segid " A" and resid 26 and name HN )) 2.897 1.049 1.049 peak 1319 weight 1.00000E+00 volume 4.50467E+07 ppm1 8.179 ppm2 8.349 ASSI { 3523} (( segid " A" and resid 24 and name HA )) (( segid " A" and resid 62 and name HA )) 2.771 0.960 0.960 peak 3523 weight 1.00000E+00 volume 1.23600E+06 ppm1 4.166 ppm2 4.375 ASSI { 4117} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 62 and name HB2 )) 3.018 1.138 1.138 peak 4117 weight 1.00000E+00 volume 7.41400E+05 ppm1 1.280 ppm2 2.431 ASSI { 3526} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 64 and name HB2 )) 2.347 0.689 0.689 peak 3526 weight 1.00000E+00 volume 3.34900E+06 ppm1 1.281 ppm2 1.895 ASSI { 2535} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 64 and name HN )) 3.035 1.151 1.151 peak 2535 weight 1.00000E+00 volume 3.40800E+07 ppm1 7.898 ppm2 1.272 ASSI { 2321} ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 65 and name HN )) 2.639 0.871 0.871 peak 2321 weight 1.00000E+00 volume 7.87900E+07 ppm1 8.989 ppm2 1.261 ASSI { 564} (( segid " A" and resid 25 and name HB2 )) (( segid " A" and resid 25 and name HB1 )) 1.739 0.378 0.378 peak 564 weight 1.00000E+00 volume 2.02572E+07 ppm1 3.234 ppm2 2.764 ASSI { 569} (( segid " A" and resid 25 and name HB2 )) (( segid " A" and resid 25 and name HA )) 2.175 0.591 0.591 peak 569 weight 1.00000E+00 volume 5.29177E+06 ppm1 3.232 ppm2 4.634 ASSI { 570} (( segid " A" and resid 25 and name HB1 )) (( segid " A" and resid 25 and name HA )) 2.179 0.594 0.594 peak 570 weight 1.00000E+00 volume 5.22303E+06 ppm1 2.766 ppm2 4.633 ASSI { 2383} (( segid " A" and resid 25 and name HB2 )) (( segid " A" and resid 25 and name HD21)) 2.872 1.031 1.031 peak 2383 weight 1.00000E+00 volume 4.74500E+07 ppm1 7.512 ppm2 3.206 ASSI { 2384} (( segid " A" and resid 25 and name HB1 )) (( segid " A" and resid 25 and name HD21)) 2.656 0.882 0.882 peak 2384 weight 1.00000E+00 volume 5.65600E+07 ppm1 7.514 ppm2 2.756 ASSI { 682} (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 25 and name HA )) 2.021 0.510 0.510 peak 682 weight 1.00000E+00 volume 3.91319E+08 ppm1 7.893 ppm2 4.620 ASSI { 1051} (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 25 and name HB2 )) 2.606 0.849 0.849 peak 1051 weight 1.00000E+00 volume 6.46396E+07 ppm1 7.892 ppm2 3.206 ASSI { 1325} (( segid " A" and resid 25 and name HB1 )) (( segid " A" and resid 25 and name HD22)) 2.716 0.922 0.922 peak 1325 weight 1.00000E+00 volume 6.63691E+07 ppm1 6.837 ppm2 2.760 ASSI { 2382} (( segid " A" and resid 25 and name HD21)) (( segid " A" and resid 25 and name HD22)) 1.979 0.490 0.490 peak 2382 weight 1.00000E+00 volume 4.43500E+08 ppm1 7.513 ppm2 6.849 ASSI { 120} (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 26 and name HN )) 2.465 0.759 0.759 peak 120 weight 1.00000E+00 volume 5.18513E+07 ppm1 8.380 ppm2 7.893 ASSI { 1671} (( segid " A" and resid 25 and name HB1 )) (( segid " A" and resid 26 and name HN )) 3.315 1.374 1.374 peak 1671 weight 1.00000E+00 volume 2.00595E+07 ppm1 8.380 ppm2 2.743 ASSI { 2352} (( segid " A" and resid 25 and name HA )) (( segid " A" and resid 26 and name HN )) 2.829 1.000 1.000 peak 2352 weight 1.00000E+00 volume 5.20200E+07 ppm1 8.382 ppm2 4.646 ASSI { 467} (( segid " A" and resid 25 and name HA )) (( segid " A" and resid 27 and name HN )) 2.447 0.748 0.748 peak 467 weight 1.00000E+00 volume 1.24104E+08 ppm1 7.513 ppm2 4.629 ASSI { 2389} (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 27 and name HN )) 3.067 1.176 1.176 peak 2389 weight 1.00000E+00 volume 3.20100E+07 ppm1 7.513 ppm2 7.880 ASSI { 2393} (( segid " A" and resid 25 and name HB1 )) (( segid " A" and resid 27 and name HN )) 3.755 1.763 1.763 peak 2393 weight 1.00000E+00 volume 9.50000E+06 ppm1 7.515 ppm2 2.749 ASSI { 1329} (( segid " A" and resid 25 and name HD22)) (( segid " A" and resid 28 and name HG2 )) 2.775 0.963 0.963 peak 1329 weight 1.00000E+00 volume 5.82977E+07 ppm1 6.821 ppm2 2.256 OR { 1329} (( segid " A" and resid 25 and name HD22)) (( segid " A" and resid 92 and name HB1 )) ASSI { 1335} (( segid " A" and resid 25 and name HD21)) ( segid " A" and resid 28 and name HG# ) 2.574 0.828 0.828 peak 1335 weight 1.00000E+00 volume 9.16100E+07 ppm1 7.470 ppm2 2.255 ASSI { 1735} (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 62 and name HB2 )) 3.340 1.395 1.395 peak 1735 weight 1.00000E+00 volume 1.91790E+07 ppm1 7.924 ppm2 2.397 OR { 1735} (( segid " A" and resid 36 and name HB2 )) (( segid " A" and resid 75 and name HN )) ASSI { 1330} (( segid " A" and resid 25 and name HD22)) (( segid " A" and resid 92 and name HB1 )) 2.954 1.091 1.091 peak 1330 weight 1.00000E+00 volume 4.00959E+07 ppm1 6.804 ppm2 2.163 OR { 1330} (( segid " A" and resid 25 and name HD22)) (( segid " A" and resid 62 and name HG2 )) ASSI { 2867} (( segid " A" and resid 25 and name HD22)) (( segid " A" and resid 92 and name HB1 )) 2.593 0.840 0.840 peak 2867 weight 1.00000E+00 volume 8.76653E+07 ppm1 6.841 ppm2 2.603 OR { 2867} (( segid " A" and resid 60 and name HB1 )) (( segid " A" and resid 60 and name HD22)) ASSI { 577} (( segid " A" and resid 26 and name HB2 )) (( segid " A" and resid 26 and name HB1 )) 2.197 0.604 0.604 peak 577 weight 1.00000E+00 volume 4.41870E+06 ppm1 1.713 ppm2 1.313 ASSI { 579} (( segid " A" and resid 26 and name HB2 )) ( segid " A" and resid 26 and name HD2#) 2.223 0.618 0.618 peak 579 weight 1.00000E+00 volume 4.63896E+06 ppm1 1.713 ppm2 0.754 ASSI { 580} (( segid " A" and resid 26 and name HB1 )) ( segid " A" and resid 26 and name HD2#) 2.180 0.594 0.594 peak 580 weight 1.00000E+00 volume 5.22180E+06 ppm1 1.317 ppm2 0.766 ASSI { 583} (( segid " A" and resid 26 and name HB2 )) (( segid " A" and resid 26 and name HA )) 2.672 0.892 0.892 peak 583 weight 1.00000E+00 volume 1.53963E+06 ppm1 1.713 ppm2 4.676 ASSI { 591} ( segid " A" and resid 26 and name HD2#) (( segid " A" and resid 26 and name HG )) 1.836 0.421 0.421 peak 591 weight 1.00000E+00 volume 1.46393E+07 ppm1 0.752 ppm2 1.597 ASSI { 600} (( segid " A" and resid 26 and name HB1 )) ( segid " A" and resid 26 and name HD2#) 1.886 0.445 0.445 peak 600 weight 1.00000E+00 volume 1.24398E+07 ppm1 0.800 ppm2 1.287 OR { 600} ( segid " A" and resid 82 and name HD2#) (( segid " A" and resid 82 and name HB2 )) ASSI { 601} ( segid " A" and resid 26 and name HD1#) (( segid " A" and resid 26 and name HG )) 1.798 0.404 0.404 peak 601 weight 1.00000E+00 volume 1.33668E+07 ppm1 0.799 ppm2 1.595 ASSI { 606} (( segid " A" and resid 26 and name HA )) ( segid " A" and resid 26 and name HD1#) 2.458 0.755 0.755 peak 606 weight 1.00000E+00 volume 2.53882E+06 ppm1 0.801 ppm2 4.674 ASSI { 3529} (( segid " A" and resid 26 and name HB1 )) (( segid " A" and resid 26 and name HA )) 2.777 0.964 0.964 peak 3529 weight 1.00000E+00 volume 1.22100E+06 ppm1 1.321 ppm2 4.631 ASSI { 653} (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 26 and name HN )) 2.609 0.851 0.851 peak 653 weight 1.00000E+00 volume 8.45515E+07 ppm1 8.383 ppm2 4.627 ASSI { 654} (( segid " A" and resid 26 and name HB1 )) (( segid " A" and resid 26 and name HN )) 2.692 0.906 0.906 peak 654 weight 1.00000E+00 volume 7.00272E+07 ppm1 8.379 ppm2 1.298 ASSI { 1057} ( segid " A" and resid 26 and name HD1#) (( segid " A" and resid 26 and name HN )) 2.473 0.765 0.765 peak 1057 weight 1.00000E+00 volume 1.16383E+08 ppm1 8.383 ppm2 0.787 ASSI { 2354} (( segid " A" and resid 26 and name HG )) (( segid " A" and resid 26 and name HN )) 3.101 1.202 1.202 peak 2354 weight 1.00000E+00 volume 2.99600E+07 ppm1 8.386 ppm2 1.563 ASSI { 1053} (( segid " A" and resid 26 and name HB2 )) (( segid " A" and resid 26 and name HN )) 2.802 0.981 0.981 peak 1053 weight 1.00000E+00 volume 5.21563E+07 ppm1 8.385 ppm2 1.700 ASSI { 1054} (( segid " A" and resid 26 and name HB2 )) (( segid " A" and resid 27 and name HN )) 3.098 1.200 1.200 peak 1054 weight 1.00000E+00 volume 3.01222E+07 ppm1 7.511 ppm2 1.679 ASSI { 1065} (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 28 and name HN )) 2.783 0.968 0.968 peak 1065 weight 1.00000E+00 volume 5.73801E+07 ppm1 8.160 ppm2 4.642 ASSI { 3559} ( segid " A" and resid 26 and name HD2#) ( segid " A" and resid 29 and name HB# ) 2.192 0.600 0.600 peak 3559 weight 1.00000E+00 volume 5.05300E+06 ppm1 1.246 ppm2 0.756 ASSI { 3561} (( segid " A" and resid 26 and name HB1 )) ( segid " A" and resid 29 and name HB# ) 2.280 0.650 0.650 peak 3561 weight 1.00000E+00 volume 3.99000E+06 ppm1 1.246 ppm2 1.425 ASSI { 3563} (( segid " A" and resid 26 and name HA )) ( segid " A" and resid 29 and name HB# ) 2.609 0.851 0.851 peak 3563 weight 1.00000E+00 volume 1.77500E+06 ppm1 1.245 ppm2 4.667 ASSI { 736} (( segid " A" and resid 26 and name HB1 )) (( segid " A" and resid 30 and name HG )) 1.954 0.478 0.478 peak 736 weight 1.00000E+00 volume 1.00426E+07 ppm1 1.490 ppm2 1.331 ASSI { 2404} (( segid " A" and resid 26 and name HB1 )) (( segid " A" and resid 30 and name HN )) 3.332 1.387 1.387 peak 2404 weight 1.00000E+00 volume 1.94800E+07 ppm1 7.448 ppm2 1.677 ASSI { 593} ( segid " A" and resid 26 and name HD1#) (( segid " A" and resid 62 and name HB2 )) 2.228 0.621 0.621 peak 593 weight 1.00000E+00 volume 1.54766E+06 ppm1 0.755 ppm2 2.493 OR { 593} ( segid " A" and resid 26 and name HD1#) (( segid " A" and resid 92 and name HB1 )) ASSI { 2525} ( segid " A" and resid 26 and name HD# ) (( segid " A" and resid 63 and name HN )) 3.092 1.195 1.195 peak 2525 weight 1.00000E+00 volume 3.04800E+07 ppm1 7.554 ppm2 0.786 ASSI { 3533} ( segid " A" and resid 26 and name HD2#) (( segid " A" and resid 66 and name HB1 )) 2.090 0.546 0.546 peak 3533 weight 1.00000E+00 volume 6.71200E+06 ppm1 0.754 ppm2 1.946 ASSI { 3864} (( segid " A" and resid 26 and name HG )) (( segid " A" and resid 92 and name HA )) 2.612 0.853 0.853 peak 3864 weight 1.00000E+00 volume 1.76100E+06 ppm1 3.922 ppm2 1.612 ASSI { 1879} (( segid " A" and resid 26 and name HB1 )) (( segid " A" and resid 92 and name HN )) 3.301 1.362 1.362 peak 1879 weight 1.00000E+00 volume 2.05834E+07 ppm1 7.429 ppm2 1.292 OR { 1879} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 92 and name HN )) ASSI { 1893} (( segid " A" and resid 26 and name HG )) (( segid " A" and resid 93 and name HN )) 3.434 1.474 1.474 peak 1893 weight 1.00000E+00 volume 1.62394E+07 ppm1 7.542 ppm2 1.587 OR { 1893} (( segid " A" and resid 91 and name HB2 )) (( segid " A" and resid 93 and name HN )) ASSI { 3543} ( segid " A" and resid 27 and name HG2#) (( segid " A" and resid 9 and name HN )) 2.528 0.799 0.799 peak 3543 weight 1.00000E+00 volume 2.14600E+06 ppm1 0.898 ppm2 8.342 ASSI { 409} (( segid " A" and resid 27 and name HA )) ( segid " A" and resid 21 and name HG2#) 2.296 0.659 0.659 peak 409 weight 1.00000E+00 volume 3.81737E+06 ppm1 0.712 ppm2 3.059 ASSI { 121} (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 26 and name HN )) 2.409 0.725 0.725 peak 121 weight 1.00000E+00 volume 6.01104E+07 ppm1 8.380 ppm2 7.508 ASSI { 634} (( segid " A" and resid 27 and name HA )) ( segid " A" and resid 27 and name HG2#) 2.007 0.503 0.503 peak 634 weight 1.00000E+00 volume 8.56672E+06 ppm1 0.895 ppm2 3.060 ASSI { 640} ( segid " A" and resid 27 and name HG2#) (( segid " A" and resid 27 and name HB )) 1.726 0.372 0.372 peak 640 weight 1.00000E+00 volume 2.11751E+07 ppm1 0.896 ppm2 1.946 ASSI { 2655} (( segid " A" and resid 27 and name HA )) (( segid " A" and resid 27 and name HB )) 2.584 0.835 0.835 peak 2655 weight 1.00000E+00 volume 1.14410E+06 ppm1 1.949 ppm2 3.064 ASSI { 656} (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 27 and name HB )) 2.191 0.600 0.600 peak 656 weight 1.00000E+00 volume 2.40556E+08 ppm1 7.513 ppm2 1.946 ASSI { 2392} (( segid " A" and resid 27 and name HA )) (( segid " A" and resid 27 and name HN )) 2.466 0.760 0.760 peak 2392 weight 1.00000E+00 volume 1.11600E+08 ppm1 7.513 ppm2 3.041 ASSI { 3551} ( segid " A" and resid 27 and name HG1#) (( segid " A" and resid 28 and name HA )) 2.343 0.686 0.686 peak 3551 weight 1.00000E+00 volume 3.38000E+06 ppm1 3.902 ppm2 0.785 OR { 3551} ( segid " A" and resid 26 and name HD2#) (( segid " A" and resid 66 and name HA )) ASSI { 3556} ( segid " A" and resid 27 and name HG1#) ( segid " A" and resid 28 and name HG# ) 2.286 0.653 0.653 peak 3556 weight 1.00000E+00 volume 3.92700E+06 ppm1 2.254 ppm2 0.799 ASSI { 4120} (( segid " A" and resid 27 and name HN )) ( segid " A" and resid 28 and name HG# ) 2.760 0.952 0.952 peak 4120 weight 1.00000E+00 volume 1.26700E+06 ppm1 2.240 ppm2 7.538 ASSI { 227} (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 28 and name HN )) 2.267 0.642 0.642 peak 227 weight 1.00000E+00 volume 1.27601E+08 ppm1 7.514 ppm2 8.157 ASSI { 917} ( segid " A" and resid 27 and name HG1#) (( segid " A" and resid 28 and name HN )) 2.304 0.664 0.664 peak 917 weight 1.00000E+00 volume 1.78038E+08 ppm1 8.158 ppm2 0.776 ASSI { 1348} (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 28 and name HG1 )) 3.365 1.416 1.416 peak 1348 weight 1.00000E+00 volume 1.83382E+07 ppm1 7.513 ppm2 2.216 ASSI { 470} (( segid " A" and resid 27 and name HA )) (( segid " A" and resid 28 and name HN )) 2.704 0.914 0.914 peak 470 weight 1.00000E+00 volume 6.82139E+07 ppm1 8.159 ppm2 3.035 ASSI { 3540} (( segid " A" and resid 27 and name HA )) (( segid " A" and resid 30 and name HG )) 2.788 0.971 0.971 peak 3540 weight 1.00000E+00 volume 1.19300E+06 ppm1 3.062 ppm2 1.507 ASSI { 2401} (( segid " A" and resid 27 and name HA )) (( segid " A" and resid 30 and name HN )) 3.151 1.241 1.241 peak 2401 weight 1.00000E+00 volume 2.72300E+07 ppm1 7.440 ppm2 3.043 ASSI { 1388} (( segid " A" and resid 27 and name HA )) (( segid " A" and resid 31 and name HE21)) 3.301 1.362 1.362 peak 1388 weight 1.00000E+00 volume 2.05878E+07 ppm1 7.185 ppm2 3.042 ASSI { 3542} (( segid " A" and resid 28 and name HN )) (( segid " A" and resid 27 and name HB )) 2.373 0.704 0.704 peak 3542 weight 1.00000E+00 volume 3.13500E+06 ppm1 1.947 ppm2 8.155 ASSI { 646} (( segid " A" and resid 28 and name HA )) (( segid " A" and resid 28 and name HB2 )) 1.838 0.422 0.422 peak 646 weight 1.00000E+00 volume 1.45149E+07 ppm1 3.908 ppm2 1.957 ASSI { 658} (( segid " A" and resid 28 and name HA )) (( segid " A" and resid 28 and name HB1 )) 2.166 0.586 0.586 peak 658 weight 1.00000E+00 volume 5.42309E+06 ppm1 1.996 ppm2 3.900 ASSI { 662} (( segid " A" and resid 28 and name HN )) (( segid " A" and resid 28 and name HB2 )) 2.338 0.683 0.683 peak 662 weight 1.00000E+00 volume 3.42744E+06 ppm1 1.948 ppm2 8.145 ASSI { 1067} (( segid " A" and resid 28 and name HN )) ( segid " A" and resid 28 and name HG# ) 2.246 0.630 0.630 peak 1067 weight 1.00000E+00 volume 1.95172E+08 ppm1 8.159 ppm2 2.235 ASSI { 3554} (( segid " A" and resid 28 and name HB2 )) ( segid " A" and resid 28 and name HG# ) 1.874 0.439 0.439 peak 3554 weight 1.00000E+00 volume 1.29200E+07 ppm1 1.997 ppm2 2.235 ASSI { 1066} (( segid " A" and resid 28 and name HN )) (( segid " A" and resid 28 and name HA )) 2.251 0.633 0.633 peak 1066 weight 1.00000E+00 volume 2.04717E+08 ppm1 8.158 ppm2 3.880 ASSI { 3557} ( segid " A" and resid 28 and name HG# ) ( segid " A" and resid 29 and name HB# ) 2.505 0.785 0.785 peak 3557 weight 1.00000E+00 volume 2.26400E+06 ppm1 2.257 ppm2 1.237 ASSI { 110} (( segid " A" and resid 28 and name HN )) (( segid " A" and resid 29 and name HN )) 2.422 0.733 0.733 peak 110 weight 1.00000E+00 volume 1.32122E+08 ppm1 8.158 ppm2 8.051 ASSI { 2251} (( segid " A" and resid 28 and name HA )) (( segid " A" and resid 29 and name HN )) 2.899 1.051 1.051 peak 2251 weight 1.00000E+00 volume 4.48709E+07 ppm1 8.090 ppm2 3.881 ASSI { 3575} (( segid " A" and resid 28 and name HA )) ( segid " A" and resid 31 and name HB# ) 2.604 0.848 0.848 peak 3575 weight 1.00000E+00 volume 1.79500E+06 ppm1 2.125 ppm2 3.891 ASSI { 678} (( segid " A" and resid 29 and name HA )) (( segid " A" and resid 29 and name HN )) 2.173 0.590 0.590 peak 678 weight 1.00000E+00 volume 5.31501E+06 ppm1 4.060 ppm2 8.058 ASSI { 686} (( segid " A" and resid 29 and name HA )) ( segid " A" and resid 29 and name HB# ) 2.032 0.516 0.516 peak 686 weight 1.00000E+00 volume 7.95717E+06 ppm1 1.245 ppm2 4.059 ASSI { 2894} (( segid " A" and resid 29 and name HN )) ( segid " A" and resid 29 and name HB# ) 2.139 0.572 0.572 peak 2894 weight 1.00000E+00 volume 2.54925E+08 ppm1 8.091 ppm2 1.207 ASSI { 471} ( segid " A" and resid 29 and name HB# ) (( segid " A" and resid 30 and name HN )) 2.394 0.716 0.716 peak 471 weight 1.00000E+00 volume 1.41521E+08 ppm1 7.441 ppm2 1.220 ASSI { 472} (( segid " A" and resid 29 and name HA )) (( segid " A" and resid 30 and name HN )) 3.136 1.230 1.230 peak 472 weight 1.00000E+00 volume 2.79932E+07 ppm1 7.440 ppm2 4.034 ASSI { 370} (( segid " A" and resid 29 and name HN )) (( segid " A" and resid 30 and name HN )) 2.634 0.867 0.867 peak 370 weight 1.00000E+00 volume 1.79702E+07 ppm1 8.036 ppm2 7.448 ASSI { 417} ( segid " A" and resid 30 and name HD1#) ( segid " A" and resid 21 and name HG2#) 1.902 0.452 0.452 peak 417 weight 1.00000E+00 volume 1.18418E+07 ppm1 0.711 ppm2 0.558 ASSI { 419} ( segid " A" and resid 30 and name HD2#) ( segid " A" and resid 21 and name HG2#) 2.557 0.817 0.817 peak 419 weight 1.00000E+00 volume 2.00287E+06 ppm1 0.709 ppm2 0.199 ASSI { 3568} ( segid " A" and resid 30 and name HD2#) (( segid " A" and resid 21 and name HB )) 3.045 1.159 1.159 peak 3568 weight 1.00000E+00 volume 7.02700E+05 ppm1 0.172 ppm2 2.065 ASSI { 681} ( segid " A" and resid 30 and name HD2#) ( segid " A" and resid 29 and name HB# ) 2.714 0.921 0.921 peak 681 weight 1.00000E+00 volume 1.40171E+06 ppm1 1.245 ppm2 0.182 ASSI { 693} (( segid " A" and resid 30 and name HA )) (( segid " A" and resid 30 and name HB2 )) 2.397 0.718 0.718 peak 693 weight 1.00000E+00 volume 2.94831E+06 ppm1 3.957 ppm2 1.485 ASSI { 694} (( segid " A" and resid 30 and name HA )) (( segid " A" and resid 30 and name HB1 )) 2.527 0.798 0.798 peak 694 weight 1.00000E+00 volume 2.14868E+06 ppm1 3.964 ppm2 1.289 ASSI { 1073} (( segid " A" and resid 30 and name HN )) (( segid " A" and resid 30 and name HB2 )) 2.270 0.644 0.644 peak 1073 weight 1.00000E+00 volume 1.94700E+08 ppm1 7.442 ppm2 1.476 ASSI { 708} ( segid " A" and resid 30 and name HD2#) (( segid " A" and resid 30 and name HB1 )) 2.240 0.627 0.627 peak 708 weight 1.00000E+00 volume 4.43515E+06 ppm1 0.169 ppm2 1.290 ASSI { 709} ( segid " A" and resid 30 and name HD2#) (( segid " A" and resid 30 and name HG )) 2.153 0.579 0.579 peak 709 weight 1.00000E+00 volume 5.62264E+06 ppm1 0.169 ppm2 1.500 ASSI { 695} ( segid " A" and resid 30 and name HD2#) (( segid " A" and resid 30 and name HA )) 2.186 0.598 0.598 peak 695 weight 1.00000E+00 volume 3.91831E+06 ppm1 3.965 ppm2 0.157 ASSI { 706} ( segid " A" and resid 30 and name HD1#) ( segid " A" and resid 30 and name HD2#) 2.076 0.539 0.539 peak 706 weight 1.00000E+00 volume 5.71533E+06 ppm1 0.167 ppm2 0.540 ASSI { 726} ( segid " A" and resid 30 and name HD1#) (( segid " A" and resid 30 and name HB1 )) 2.171 0.589 0.589 peak 726 weight 1.00000E+00 volume 5.35324E+06 ppm1 0.540 ppm2 1.295 ASSI { 727} ( segid " A" and resid 30 and name HD1#) (( segid " A" and resid 30 and name HG )) 2.029 0.515 0.515 peak 727 weight 1.00000E+00 volume 8.01836E+06 ppm1 0.539 ppm2 1.500 ASSI { 731} (( segid " A" and resid 30 and name HG )) (( segid " A" and resid 30 and name HA )) 2.514 0.790 0.790 peak 731 weight 1.00000E+00 volume 2.21553E+06 ppm1 1.494 ppm2 3.950 ASSI { 733} (( segid " A" and resid 30 and name HG )) (( segid " A" and resid 30 and name HN )) 2.699 0.910 0.910 peak 733 weight 1.00000E+00 volume 1.44861E+06 ppm1 1.481 ppm2 7.427 ASSI { 1076} ( segid " A" and resid 30 and name HD2#) (( segid " A" and resid 30 and name HN )) 2.747 0.943 0.943 peak 1076 weight 1.00000E+00 volume 4.82195E+07 ppm1 7.440 ppm2 0.150 ASSI { 3572} ( segid " A" and resid 30 and name HD1#) (( segid " A" and resid 30 and name HA )) 2.775 0.963 0.963 peak 3572 weight 1.00000E+00 volume 1.22500E+06 ppm1 0.540 ppm2 3.976 ASSI { 1072} (( segid " A" and resid 30 and name HN )) (( segid " A" and resid 30 and name HA )) 2.618 0.857 0.857 peak 1072 weight 1.00000E+00 volume 8.26612E+07 ppm1 7.443 ppm2 3.934 ASSI { 1075} ( segid " A" and resid 30 and name HD1#) (( segid " A" and resid 30 and name HN )) 2.769 0.958 0.958 peak 1075 weight 1.00000E+00 volume 5.20516E+07 ppm1 7.443 ppm2 0.520 ASSI { 1077} ( segid " A" and resid 30 and name HD2#) (( segid " A" and resid 31 and name HN )) 3.167 1.254 1.254 peak 1077 weight 1.00000E+00 volume 2.64117E+07 ppm1 7.569 ppm2 0.144 ASSI { 1078} ( segid " A" and resid 30 and name HD1#) (( segid " A" and resid 31 and name HN )) 3.440 1.479 1.479 peak 1078 weight 1.00000E+00 volume 1.60835E+07 ppm1 7.572 ppm2 0.515 ASSI { 2419} (( segid " A" and resid 30 and name HA )) (( segid " A" and resid 32 and name HN )) 2.618 0.857 0.857 peak 2419 weight 1.00000E+00 volume 8.27700E+07 ppm1 7.639 ppm2 3.929 ASSI { 1685} ( segid " A" and resid 30 and name HD1#) (( segid " A" and resid 70 and name HN )) 3.182 1.265 1.265 peak 1685 weight 1.00000E+00 volume 2.56857E+07 ppm1 7.770 ppm2 0.560 OR { 1685} ( segid " A" and resid 30 and name HD1#) (( segid " A" and resid 22 and name HN )) ASSI { 3296} ( segid " A" and resid 30 and name HD2#) ( segid " A" and resid 72 and name HG2#) 2.500 0.782 0.782 peak 3296 weight 1.00000E+00 volume 2.29083E+06 ppm1 0.966 ppm2 0.151 ASSI { 692} (( segid " A" and resid 30 and name HA )) (( segid " A" and resid 91 and name HG )) 2.700 0.911 0.911 peak 692 weight 1.00000E+00 volume 1.44431E+06 ppm1 3.953 ppm2 1.799 ASSI { 2058} ( segid " A" and resid 30 and name HD2#) ( segid " A" and resid 91 and name HD1#) 1.812 0.410 0.410 peak 2058 weight 1.00000E+00 volume 7.15245E+05 ppm1 0.899 ppm2 0.202 ASSI { 1389} (( segid " A" and resid 31 and name HE21)) (( segid " A" and resid 6 and name HB1 )) 3.388 1.435 1.435 peak 1389 weight 1.00000E+00 volume 1.76004E+07 ppm1 7.188 ppm2 2.661 ASSI { 1410} (( segid " A" and resid 31 and name HE21)) ( segid " A" and resid 9 and name HG2#) 2.878 1.035 1.035 peak 1410 weight 1.00000E+00 volume 4.69100E+07 ppm1 7.187 ppm2 0.888 OR { 1410} (( segid " A" and resid 31 and name HE21)) ( segid " A" and resid 27 and name HG2#) ASSI { 1408} (( segid " A" and resid 31 and name HE22)) ( segid " A" and resid 27 and name HG2#) 3.122 1.219 1.219 peak 1408 weight 1.00000E+00 volume 2.87443E+07 ppm1 6.761 ppm2 0.887 OR { 1408} (( segid " A" and resid 31 and name HE22)) ( segid " A" and resid 9 and name HG2#) ASSI { 2415} (( segid " A" and resid 31 and name HE22)) ( segid " A" and resid 27 and name HG2#) 3.123 1.219 1.219 peak 2415 weight 1.00000E+00 volume 2.87400E+07 ppm1 6.761 ppm2 0.887 ASSI { 2417} (( segid " A" and resid 31 and name HE21)) ( segid " A" and resid 27 and name HG2#) 2.878 1.035 1.035 peak 2417 weight 1.00000E+00 volume 4.69100E+07 ppm1 7.187 ppm2 0.888 ASSI { 3552} (( segid " A" and resid 31 and name HG1 )) (( segid " A" and resid 28 and name HA )) 2.588 0.837 0.837 peak 3552 weight 1.00000E+00 volume 1.86400E+06 ppm1 3.903 ppm2 2.517 ASSI { 3584} (( segid " A" and resid 31 and name HG2 )) (( segid " A" and resid 28 and name HA )) 2.583 0.834 0.834 peak 3584 weight 1.00000E+00 volume 1.88600E+06 ppm1 2.361 ppm2 3.906 ASSI { 1386} (( segid " A" and resid 31 and name HE21)) (( segid " A" and resid 28 and name HA )) 2.881 1.038 1.038 peak 1386 weight 1.00000E+00 volume 4.65522E+07 ppm1 7.185 ppm2 3.879 ASSI { 1387} (( segid " A" and resid 31 and name HE22)) (( segid " A" and resid 28 and name HA )) 3.391 1.438 1.438 peak 1387 weight 1.00000E+00 volume 1.75065E+07 ppm1 6.762 ppm2 3.879 ASSI { 2396} (( segid " A" and resid 31 and name HG1 )) (( segid " A" and resid 28 and name HN )) 3.530 1.558 1.558 peak 2396 weight 1.00000E+00 volume 1.37700E+07 ppm1 8.157 ppm2 2.518 ASSI { 2397} (( segid " A" and resid 31 and name HG2 )) (( segid " A" and resid 28 and name HN )) 3.663 1.677 1.677 peak 2397 weight 1.00000E+00 volume 1.10300E+07 ppm1 8.160 ppm2 2.394 ASSI { 2248} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 29 and name HN )) 3.222 1.297 1.297 peak 2248 weight 1.00000E+00 volume 2.38219E+07 ppm1 8.090 ppm2 7.573 ASSI { 2406} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 29 and name HA )) 2.918 1.064 1.064 peak 2406 weight 1.00000E+00 volume 4.31700E+07 ppm1 7.571 ppm2 4.032 ASSI { 373} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 30 and name HN )) 2.298 0.660 0.660 peak 373 weight 1.00000E+00 volume 1.80733E+08 ppm1 7.570 ppm2 7.441 ASSI { 1080} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 30 and name HB2 )) 2.600 0.845 0.845 peak 1080 weight 1.00000E+00 volume 8.61745E+07 ppm1 7.570 ppm2 1.476 ASSI { 1405} (( segid " A" and resid 31 and name HE21)) (( segid " A" and resid 30 and name HB1 )) 2.995 1.122 1.122 peak 1405 weight 1.00000E+00 volume 3.68806E+07 ppm1 7.186 ppm2 1.291 OR { 1405} ( segid " A" and resid 3 and name HG2#) (( segid " A" and resid 31 and name HE21)) ASSI { 2413} (( segid " A" and resid 31 and name HE21)) (( segid " A" and resid 30 and name HB2 )) 2.995 1.122 1.122 peak 2413 weight 1.00000E+00 volume 3.68800E+07 ppm1 7.186 ppm2 1.291 ASSI { 742} (( segid " A" and resid 31 and name HG2 )) ( segid " A" and resid 31 and name HB# ) 2.025 0.513 0.513 peak 742 weight 1.00000E+00 volume 8.11489E+06 ppm1 2.125 ppm2 2.339 ASSI { 751} (( segid " A" and resid 31 and name HG1 )) ( segid " A" and resid 31 and name HB# ) 2.137 0.571 0.571 peak 751 weight 1.00000E+00 volume 5.87024E+06 ppm1 2.526 ppm2 2.127 ASSI { 752} (( segid " A" and resid 31 and name HG1 )) (( segid " A" and resid 31 and name HG2 )) 1.869 0.437 0.437 peak 752 weight 1.00000E+00 volume 1.31429E+07 ppm1 2.527 ppm2 2.358 ASSI { 767} (( segid " A" and resid 31 and name HG2 )) (( segid " A" and resid 31 and name HA )) 2.413 0.728 0.728 peak 767 weight 1.00000E+00 volume 2.83366E+06 ppm1 2.355 ppm2 4.563 ASSI { 3576} ( segid " A" and resid 31 and name HB# ) (( segid " A" and resid 31 and name HA )) 2.513 0.789 0.789 peak 3576 weight 1.00000E+00 volume 2.22200E+06 ppm1 2.129 ppm2 4.556 ASSI { 657} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 31 and name HA )) 2.423 0.734 0.734 peak 657 weight 1.00000E+00 volume 1.31728E+08 ppm1 7.569 ppm2 4.536 ASSI { 990} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 31 and name HG2 )) 2.318 0.672 0.672 peak 990 weight 1.00000E+00 volume 9.55374E+07 ppm1 7.569 ppm2 2.347 ASSI { 991} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 31 and name HG1 )) 2.501 0.782 0.782 peak 991 weight 1.00000E+00 volume 1.08963E+08 ppm1 7.570 ppm2 2.517 ASSI { 992} (( segid " A" and resid 31 and name HN )) ( segid " A" and resid 31 and name HB# ) 2.128 0.566 0.566 peak 992 weight 1.00000E+00 volume 2.87160E+08 ppm1 7.569 ppm2 2.109 ASSI { 1378} (( segid " A" and resid 31 and name HE22)) (( segid " A" and resid 31 and name HE21)) 1.634 0.334 0.334 peak 1378 weight 1.00000E+00 volume 1.27879E+09 ppm1 6.760 ppm2 7.183 ASSI { 1390} (( segid " A" and resid 31 and name HG1 )) (( segid " A" and resid 31 and name HE21)) 2.364 0.698 0.698 peak 1390 weight 1.00000E+00 volume 1.52750E+08 ppm1 7.185 ppm2 2.513 ASSI { 1391} (( segid " A" and resid 31 and name HG1 )) (( segid " A" and resid 31 and name HE22)) 2.738 0.937 0.937 peak 1391 weight 1.00000E+00 volume 6.31615E+07 ppm1 6.759 ppm2 2.516 ASSI { 1392} (( segid " A" and resid 31 and name HG2 )) (( segid " A" and resid 31 and name HE21)) 2.278 0.649 0.649 peak 1392 weight 1.00000E+00 volume 1.90715E+08 ppm1 7.185 ppm2 2.347 ASSI { 1393} (( segid " A" and resid 31 and name HG2 )) (( segid " A" and resid 31 and name HE22)) 2.669 0.890 0.890 peak 1393 weight 1.00000E+00 volume 7.37579E+07 ppm1 6.760 ppm2 2.347 ASSI { 1396} (( segid " A" and resid 31 and name HE22)) (( segid " A" and resid 31 and name HA )) 3.178 1.263 1.263 peak 1396 weight 1.00000E+00 volume 2.58476E+07 ppm1 6.761 ppm2 4.566 ASSI { 1397} (( segid " A" and resid 31 and name HE21)) (( segid " A" and resid 31 and name HA )) 3.042 1.157 1.157 peak 1397 weight 1.00000E+00 volume 3.36050E+07 ppm1 7.184 ppm2 4.545 ASSI { 376} (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 32 and name HN )) 2.108 0.556 0.556 peak 376 weight 1.00000E+00 volume 3.03271E+08 ppm1 7.638 ppm2 7.568 ASSI { 474} (( segid " A" and resid 31 and name HA )) (( segid " A" and resid 32 and name HN )) 2.712 0.919 0.919 peak 474 weight 1.00000E+00 volume 6.69891E+07 ppm1 7.637 ppm2 4.534 ASSI { 993} ( segid " A" and resid 31 and name HB# ) (( segid " A" and resid 32 and name HN )) 2.723 0.927 0.927 peak 993 weight 1.00000E+00 volume 6.53236E+07 ppm1 7.638 ppm2 2.109 ASSI { 1086} (( segid " A" and resid 31 and name HG2 )) (( segid " A" and resid 32 and name HN )) 3.424 1.466 1.466 peak 1086 weight 1.00000E+00 volume 1.65233E+07 ppm1 7.638 ppm2 2.328 ASSI { 776} (( segid " A" and resid 33 and name HA )) (( segid " A" and resid 33 and name HB2 )) 2.262 0.640 0.640 peak 776 weight 1.00000E+00 volume 4.18019E+06 ppm1 4.187 ppm2 2.329 ASSI { 778} (( segid " A" and resid 33 and name HA )) (( segid " A" and resid 33 and name HB1 )) 2.339 0.684 0.684 peak 778 weight 1.00000E+00 volume 1.58977E+06 ppm1 4.182 ppm2 1.812 ASSI { 786} (( segid " A" and resid 33 and name HB2 )) (( segid " A" and resid 33 and name HG1 )) 2.117 0.560 0.560 peak 786 weight 1.00000E+00 volume 6.21046E+06 ppm1 2.318 ppm2 2.013 ASSI { 789} (( segid " A" and resid 33 and name HB2 )) (( segid " A" and resid 33 and name HB1 )) 1.993 0.496 0.496 peak 789 weight 1.00000E+00 volume 8.93626E+06 ppm1 2.319 ppm2 1.806 ASSI { 792} (( segid " A" and resid 33 and name HG1 )) (( segid " A" and resid 33 and name HG2 )) 1.588 0.315 0.315 peak 792 weight 1.00000E+00 volume 3.49298E+07 ppm1 2.135 ppm2 2.010 ASSI { 4272} (( segid " A" and resid 33 and name HG2 )) ( segid " A" and resid 33 and name HD# ) 2.084 0.543 0.543 peak 4272 weight 1.00000E+00 volume 6.84049E+06 ppm1 3.760 ppm2 2.141 ASSI { 475} (( segid " A" and resid 33 and name HB1 )) (( segid " A" and resid 34 and name HN )) 2.684 0.901 0.901 peak 475 weight 1.00000E+00 volume 7.11933E+07 ppm1 8.016 ppm2 1.785 ASSI { 477} (( segid " A" and resid 33 and name HA )) (( segid " A" and resid 34 and name HN )) 2.830 1.001 1.001 peak 477 weight 1.00000E+00 volume 5.18642E+07 ppm1 8.013 ppm2 4.150 ASSI { 1087} (( segid " A" and resid 33 and name HG2 )) (( segid " A" and resid 34 and name HN )) 2.947 1.086 1.086 peak 1087 weight 1.00000E+00 volume 4.06563E+07 ppm1 8.015 ppm2 2.138 ASSI { 2423} (( segid " A" and resid 33 and name HG1 )) (( segid " A" and resid 34 and name HN )) 3.118 1.215 1.215 peak 2423 weight 1.00000E+00 volume 2.90000E+07 ppm1 8.014 ppm2 1.978 ASSI { 805} (( segid " A" and resid 34 and name HA2 )) (( segid " A" and resid 34 and name HA1 )) 2.180 0.594 0.594 peak 805 weight 1.00000E+00 volume 5.22273E+06 ppm1 2.441 ppm2 2.793 ASSI { 1021} (( segid " A" and resid 34 and name HA1 )) (( segid " A" and resid 34 and name HN )) 2.393 0.716 0.716 peak 1021 weight 1.00000E+00 volume 1.41880E+08 ppm1 8.014 ppm2 2.761 ASSI { 1020} (( segid " A" and resid 34 and name HA2 )) (( segid " A" and resid 34 and name HN )) 2.195 0.602 0.602 peak 1020 weight 1.00000E+00 volume 2.38026E+08 ppm1 8.015 ppm2 2.432 ASSI { 816} (( segid " A" and resid 35 and name HD2 )) (( segid " A" and resid 35 and name HB2 )) 2.679 0.897 0.897 peak 816 weight 1.00000E+00 volume 1.51572E+06 ppm1 3.327 ppm2 2.198 ASSI { 818} (( segid " A" and resid 35 and name HD2 )) (( segid " A" and resid 35 and name HG1 )) 2.491 0.776 0.776 peak 818 weight 1.00000E+00 volume 2.34053E+06 ppm1 3.325 ppm2 1.795 ASSI { 821} (( segid " A" and resid 35 and name HD1 )) (( segid " A" and resid 35 and name HB1 )) 2.862 1.024 1.024 peak 821 weight 1.00000E+00 volume 1.01946E+06 ppm1 3.267 ppm2 1.586 ASSI { 822} (( segid " A" and resid 35 and name HD1 )) (( segid " A" and resid 35 and name HG2 )) 2.342 0.686 0.686 peak 822 weight 1.00000E+00 volume 3.39410E+06 ppm1 3.271 ppm2 1.371 ASSI { 823} (( segid " A" and resid 35 and name HD2 )) (( segid " A" and resid 35 and name HG2 )) 2.450 0.751 0.751 peak 823 weight 1.00000E+00 volume 2.58555E+06 ppm1 3.324 ppm2 1.372 ASSI { 824} (( segid " A" and resid 35 and name HG1 )) (( segid " A" and resid 35 and name HG2 )) 2.095 0.549 0.549 peak 824 weight 1.00000E+00 volume 6.59308E+06 ppm1 1.811 ppm2 1.369 ASSI { 830} (( segid " A" and resid 35 and name HB1 )) (( segid " A" and resid 35 and name HG1 )) 2.298 0.660 0.660 peak 830 weight 1.00000E+00 volume 3.80541E+06 ppm1 1.813 ppm2 1.562 ASSI { 831} (( segid " A" and resid 35 and name HB2 )) (( segid " A" and resid 35 and name HG1 )) 2.477 0.767 0.767 peak 831 weight 1.00000E+00 volume 2.42190E+06 ppm1 1.809 ppm2 2.183 ASSI { 832} (( segid " A" and resid 35 and name HB2 )) (( segid " A" and resid 35 and name HG2 )) 2.809 0.986 0.986 peak 832 weight 1.00000E+00 volume 1.14029E+06 ppm1 1.372 ppm2 2.179 ASSI { 819} (( segid " A" and resid 35 and name HD1 )) (( segid " A" and resid 35 and name HG1 )) 2.199 0.604 0.604 peak 819 weight 1.00000E+00 volume 2.19908E+06 ppm1 3.263 ppm2 1.801 ASSI { 1901} (( segid " A" and resid 35 and name HB1 )) (( segid " A" and resid 36 and name HN )) 3.048 1.161 1.161 peak 1901 weight 1.00000E+00 volume 3.32187E+07 ppm1 8.447 ppm2 1.557 ASSI { 2318} (( segid " A" and resid 35 and name HB2 )) (( segid " A" and resid 36 and name HN )) 2.603 0.847 0.847 peak 2318 weight 1.00000E+00 volume 8.55500E+07 ppm1 8.479 ppm2 1.553 ASSI { 3591} (( segid " A" and resid 35 and name HG2 )) (( segid " A" and resid 75 and name HA2 )) 2.629 0.864 0.864 peak 3591 weight 1.00000E+00 volume 1.69681E+06 ppm1 1.372 ppm2 4.074 ASSI { 1736} ( segid " A" and resid 35 and name HB# ) (( segid " A" and resid 75 and name HN )) 3.147 1.238 1.238 peak 1736 weight 1.00000E+00 volume 2.74204E+07 ppm1 7.930 ppm2 1.779 ASSI { 2586} (( segid " A" and resid 35 and name HG1 )) (( segid " A" and resid 75 and name HN )) 3.147 1.238 1.238 peak 2586 weight 1.00000E+00 volume 2.74200E+07 ppm1 7.930 ppm2 1.779 ASSI { 829} (( segid " A" and resid 35 and name HG2 )) ( segid " A" and resid 76 and name HB# ) 2.459 0.756 0.756 peak 829 weight 1.00000E+00 volume 2.49519E+06 ppm1 1.377 ppm2 0.975 ASSI { 2592} (( segid " A" and resid 35 and name HG1 )) (( segid " A" and resid 76 and name HN )) 2.771 0.960 0.960 peak 2592 weight 1.00000E+00 volume 4.62500E+07 ppm1 7.866 ppm2 1.782 ASSI { 2594} (( segid " A" and resid 35 and name HG2 )) (( segid " A" and resid 76 and name HN )) 2.635 0.868 0.868 peak 2594 weight 1.00000E+00 volume 7.28900E+07 ppm1 7.866 ppm2 1.350 ASSI { 1647} (( segid " A" and resid 35 and name HB1 )) ( segid " A" and resid 76 and name HB# ) 2.300 0.661 0.661 peak 1647 weight 1.00000E+00 volume 3.77993E+06 ppm1 0.967 ppm2 1.578 ASSI { 1648} ( segid " A" and resid 35 and name HB# ) ( segid " A" and resid 76 and name HB# ) 2.361 0.697 0.697 peak 1648 weight 1.00000E+00 volume 3.23502E+06 ppm1 0.969 ppm2 1.808 ASSI { 1649} (( segid " A" and resid 35 and name HB2 )) ( segid " A" and resid 76 and name HB# ) 2.438 0.743 0.743 peak 1649 weight 1.00000E+00 volume 2.66451E+06 ppm1 0.972 ppm2 2.169 ASSI { 3757} (( segid " A" and resid 35 and name HG1 )) ( segid " A" and resid 76 and name HB# ) 2.361 0.697 0.697 peak 3757 weight 1.00000E+00 volume 3.23500E+06 ppm1 0.969 ppm2 1.808 ASSI { 1742} (( segid " A" and resid 35 and name HD2 )) (( segid " A" and resid 76 and name HN )) 3.201 1.281 1.281 peak 1742 weight 1.00000E+00 volume 2.47525E+07 ppm1 7.867 ppm2 3.346 ASSI { 1743} (( segid " A" and resid 35 and name HD1 )) (( segid " A" and resid 76 and name HN )) 3.053 1.165 1.165 peak 1743 weight 1.00000E+00 volume 3.29213E+07 ppm1 7.865 ppm2 3.238 OR { 1743} (( segid " A" and resid 5 and name HA )) (( segid " A" and resid 8 and name HN )) ASSI { 2590} (( segid " A" and resid 35 and name HD1 )) (( segid " A" and resid 76 and name HN )) 3.285 1.349 1.349 peak 2590 weight 1.00000E+00 volume 2.12100E+07 ppm1 7.868 ppm2 3.351 ASSI { 2591} (( segid " A" and resid 35 and name HB1 )) (( segid " A" and resid 76 and name HN )) 3.354 1.406 1.406 peak 2591 weight 1.00000E+00 volume 1.87000E+07 ppm1 7.867 ppm2 2.151 ASSI { 2593} (( segid " A" and resid 35 and name HB2 )) (( segid " A" and resid 76 and name HN )) 2.886 1.041 1.041 peak 2593 weight 1.00000E+00 volume 4.60700E+07 ppm1 7.864 ppm2 1.558 ASSI { 478} (( segid " A" and resid 36 and name HN )) (( segid " A" and resid 35 and name HA )) 2.343 0.686 0.686 peak 478 weight 1.00000E+00 volume 1.60915E+08 ppm1 8.480 ppm2 5.040 ASSI { 843} (( segid " A" and resid 36 and name HA )) (( segid " A" and resid 36 and name HB2 )) 2.614 0.854 0.854 peak 843 weight 1.00000E+00 volume 1.75293E+06 ppm1 5.520 ppm2 2.462 ASSI { 850} (( segid " A" and resid 36 and name HB2 )) (( segid " A" and resid 36 and name HB1 )) 2.257 0.637 0.637 peak 850 weight 1.00000E+00 volume 3.37493E+06 ppm1 2.422 ppm2 3.005 ASSI { 857} (( segid " A" and resid 36 and name HA )) (( segid " A" and resid 36 and name HB1 )) 2.508 0.786 0.786 peak 857 weight 1.00000E+00 volume 1.44901E+06 ppm1 3.017 ppm2 5.554 ASSI { 660} (( segid " A" and resid 36 and name HB1 )) (( segid " A" and resid 36 and name HN )) 2.788 0.971 0.971 peak 660 weight 1.00000E+00 volume 5.67576E+07 ppm1 8.480 ppm2 3.003 ASSI { 659} (( segid " A" and resid 36 and name HA )) (( segid " A" and resid 36 and name HN )) 2.678 0.896 0.896 peak 659 weight 1.00000E+00 volume 6.54668E+07 ppm1 8.478 ppm2 5.520 ASSI { 480} (( segid " A" and resid 36 and name HA )) (( segid " A" and resid 37 and name HN )) 2.347 0.688 0.688 peak 480 weight 1.00000E+00 volume 1.59416E+08 ppm1 9.583 ppm2 5.519 ASSI { 994} (( segid " A" and resid 36 and name HB2 )) (( segid " A" and resid 37 and name HN )) 2.830 1.001 1.001 peak 994 weight 1.00000E+00 volume 5.18722E+07 ppm1 9.579 ppm2 2.396 ASSI { 853} (( segid " A" and resid 36 and name HB2 )) ( segid " A" and resid 72 and name HG1#) 2.200 0.605 0.605 peak 853 weight 1.00000E+00 volume 4.16906E+06 ppm1 2.424 ppm2 0.869 ASSI { 3278} (( segid " A" and resid 36 and name HB2 )) ( segid " A" and resid 72 and name HG1#) 2.502 0.782 0.782 peak 3278 weight 1.00000E+00 volume 2.28439E+06 ppm1 0.898 ppm2 2.424 OR { 3278} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 59 and name HG2 )) ASSI { 3737} (( segid " A" and resid 36 and name HA )) ( segid " A" and resid 72 and name HG1#) 2.994 1.121 1.121 peak 3737 weight 1.00000E+00 volume 7.76900E+05 ppm1 0.874 ppm2 5.514 ASSI { 1713} (( segid " A" and resid 36 and name HA )) (( segid " A" and resid 73 and name HN )) 3.252 1.322 1.322 peak 1713 weight 1.00000E+00 volume 2.25065E+07 ppm1 9.385 ppm2 5.509 ASSI { 841} (( segid " A" and resid 36 and name HA )) (( segid " A" and resid 74 and name HA )) 2.641 0.872 0.872 peak 841 weight 1.00000E+00 volume 1.64908E+06 ppm1 5.528 ppm2 4.597 ASSI { 3753} (( segid " A" and resid 36 and name HA )) ( segid " A" and resid 74 and name HB# ) 2.821 0.995 0.995 peak 3753 weight 1.00000E+00 volume 1.11000E+06 ppm1 1.436 ppm2 5.524 ASSI { 2584} (( segid " A" and resid 36 and name HA )) (( segid " A" and resid 75 and name HN )) 2.408 0.725 0.725 peak 2584 weight 1.00000E+00 volume 1.36600E+08 ppm1 7.929 ppm2 5.518 ASSI { 3594} (( segid " A" and resid 36 and name HB1 )) (( segid " A" and resid 119 and name HG2 )) 2.629 0.864 0.864 peak 3594 weight 1.00000E+00 volume 1.69600E+06 ppm1 3.026 ppm2 2.041 OR { 3594} (( segid " A" and resid 107 and name HB1 )) ( segid " A" and resid 107 and name HE# ) ASSI { 1434} (( segid " A" and resid 36 and name HN )) (( segid " A" and resid 120 and name HA )) 3.157 1.246 1.246 peak 1434 weight 1.00000E+00 volume 2.68967E+07 ppm1 8.480 ppm2 4.880 ASSI { 2876} (( segid " A" and resid 36 and name HB2 )) (( segid " A" and resid 120 and name HD22)) 3.504 1.535 1.535 peak 2876 weight 1.00000E+00 volume 1.43863E+07 ppm1 7.060 ppm2 2.381 ASSI { 1089} (( segid " A" and resid 36 and name HN )) (( segid " A" and resid 121 and name HA2 )) 2.544 0.809 0.809 peak 1089 weight 1.00000E+00 volume 9.82102E+07 ppm1 8.480 ppm2 3.540 ASSI { 2704} (( segid " A" and resid 36 and name HN )) (( segid " A" and resid 121 and name HA1 )) 2.895 1.048 1.048 peak 2704 weight 1.00000E+00 volume 9.50255E+05 ppm1 5.768 ppm2 8.462 ASSI { 3595} (( segid " A" and resid 36 and name HB1 )) (( segid " A" and resid 121 and name HN )) 2.769 0.958 0.958 peak 3595 weight 1.00000E+00 volume 1.24200E+06 ppm1 3.023 ppm2 7.038 ASSI { 40} (( segid " A" and resid 36 and name HN )) (( segid " A" and resid 121 and name HN )) 2.501 0.782 0.782 peak 40 weight 1.00000E+00 volume 3.16806E+07 ppm1 7.021 ppm2 8.474 ASSI { 133} (( segid " A" and resid 36 and name HN )) (( segid " A" and resid 122 and name HN )) 2.794 0.976 0.976 peak 133 weight 1.00000E+00 volume 5.44653E+07 ppm1 8.870 ppm2 8.469 ASSI { 86} (( segid " A" and resid 37 and name HN )) (( segid " A" and resid 36 and name HN )) 3.114 1.212 1.212 peak 86 weight 1.00000E+00 volume 2.92061E+07 ppm1 9.583 ppm2 8.457 ASSI { 865} ( segid " A" and resid 37 and name HG2#) (( segid " A" and resid 37 and name HA )) 2.239 0.626 0.626 peak 865 weight 1.00000E+00 volume 2.50162E+06 ppm1 5.320 ppm2 1.034 ASSI { 1096} (( segid " A" and resid 37 and name HN )) (( segid " A" and resid 37 and name HB )) 2.635 0.868 0.868 peak 1096 weight 1.00000E+00 volume 7.95279E+07 ppm1 9.584 ppm2 3.910 ASSI { 870} ( segid " A" and resid 37 and name HG2#) (( segid " A" and resid 37 and name HB )) 2.143 0.574 0.574 peak 870 weight 1.00000E+00 volume 1.96594E+06 ppm1 3.917 ppm2 1.032 ASSI { 4278} (( segid " A" and resid 37 and name HB )) (( segid " A" and resid 37 and name HG1 )) 2.843 1.010 1.010 peak 4278 weight 1.00000E+00 volume 1.06057E+06 ppm1 3.929 ppm2 6.087 ASSI { 1094} ( segid " A" and resid 37 and name HG2#) (( segid " A" and resid 37 and name HN )) 2.746 0.943 0.943 peak 1094 weight 1.00000E+00 volume 6.21351E+07 ppm1 9.584 ppm2 1.010 ASSI { 1095} (( segid " A" and resid 37 and name HN )) (( segid " A" and resid 37 and name HA )) 2.941 1.081 1.081 peak 1095 weight 1.00000E+00 volume 4.11727E+07 ppm1 9.584 ppm2 5.288 ASSI { 2913} (( segid " A" and resid 37 and name HN )) (( segid " A" and resid 37 and name HG1 )) 2.786 0.970 0.970 peak 2913 weight 1.00000E+00 volume 5.70280E+07 ppm1 9.587 ppm2 6.109 ASSI { 1016} (( segid " A" and resid 37 and name HA )) (( segid " A" and resid 38 and name HN )) 2.319 0.672 0.672 peak 1016 weight 1.00000E+00 volume 1.71246E+08 ppm1 8.922 ppm2 5.290 ASSI { 2906} ( segid " A" and resid 37 and name HG2#) (( segid " A" and resid 38 and name HN )) 2.466 0.760 0.760 peak 2906 weight 1.00000E+00 volume 1.18488E+08 ppm1 8.922 ppm2 0.995 ASSI { 2434} (( segid " A" and resid 37 and name HN )) ( segid " A" and resid 72 and name HG1#) 2.470 0.763 0.763 peak 2434 weight 1.00000E+00 volume 1.17200E+08 ppm1 9.585 ppm2 0.856 ASSI { 1617} (( segid " A" and resid 37 and name HB )) ( segid " A" and resid 73 and name HG2#) 2.323 0.675 0.675 peak 1617 weight 1.00000E+00 volume 3.56197E+06 ppm1 1.158 ppm2 3.947 ASSI { 3599} (( segid " A" and resid 37 and name HB )) ( segid " A" and resid 73 and name HG1#) 2.530 0.800 0.800 peak 3599 weight 1.00000E+00 volume 2.13300E+06 ppm1 3.932 ppm2 0.879 ASSI { 2430} (( segid " A" and resid 37 and name HN )) (( segid " A" and resid 73 and name HA )) 3.443 1.482 1.482 peak 2430 weight 1.00000E+00 volume 1.60000E+07 ppm1 9.586 ppm2 4.398 ASSI { 2432} (( segid " A" and resid 37 and name HN )) ( segid " A" and resid 73 and name HG2#) 3.052 1.164 1.164 peak 2432 weight 1.00000E+00 volume 3.29800E+07 ppm1 9.587 ppm2 1.138 ASSI { 83} (( segid " A" and resid 37 and name HN )) (( segid " A" and resid 73 and name HN )) 2.686 0.902 0.902 peak 83 weight 1.00000E+00 volume 6.22056E+07 ppm1 9.585 ppm2 9.381 ASSI { 2573} (( segid " A" and resid 37 and name HB )) (( segid " A" and resid 73 and name HN )) 2.847 1.013 1.013 peak 2573 weight 1.00000E+00 volume 5.00500E+07 ppm1 9.381 ppm2 3.908 ASSI { 2433} (( segid " A" and resid 37 and name HN )) ( segid " A" and resid 74 and name HB# ) 3.527 1.555 1.555 peak 2433 weight 1.00000E+00 volume 1.38300E+07 ppm1 9.580 ppm2 1.408 ASSI { 3609} ( segid " A" and resid 37 and name HG2#) (( segid " A" and resid 77 and name HN )) 2.404 0.722 0.722 peak 3609 weight 1.00000E+00 volume 2.90100E+06 ppm1 1.032 ppm2 8.460 ASSI { 4280} ( segid " A" and resid 37 and name HG2#) ( segid " A" and resid 77 and name HD# ) 2.297 0.660 0.660 peak 4280 weight 1.00000E+00 volume 3.80984E+06 ppm1 1.032 ppm2 6.852 ASSI { 1771} ( segid " A" and resid 37 and name HG2#) ( segid " A" and resid 82 and name HD1#) 2.505 0.784 0.784 peak 1771 weight 1.00000E+00 volume 2.26486E+06 ppm1 0.603 ppm2 1.010 ASSI { 2124} (( segid " A" and resid 37 and name HA )) (( segid " A" and resid 122 and name HN )) 2.177 0.592 0.592 peak 2124 weight 1.00000E+00 volume 1.13357E+08 ppm1 8.871 ppm2 5.294 ASSI { 3602} ( segid " A" and resid 37 and name HG2#) ( segid " A" and resid 122 and name HG2#) 2.290 0.656 0.656 peak 3602 weight 1.00000E+00 volume 3.88100E+06 ppm1 1.032 ppm2 0.376 ASSI { 3604} ( segid " A" and resid 37 and name HG2#) (( segid " A" and resid 122 and name HB )) 2.248 0.632 0.632 peak 3604 weight 1.00000E+00 volume 4.34000E+06 ppm1 1.036 ppm2 1.653 ASSI { 87} (( segid " A" and resid 37 and name HN )) (( segid " A" and resid 122 and name HN )) 3.416 1.459 1.459 peak 87 weight 1.00000E+00 volume 1.67630E+07 ppm1 9.582 ppm2 8.875 ASSI { 2806} (( segid " A" and resid 37 and name HB )) (( segid " A" and resid 122 and name HN )) 3.323 1.380 1.380 peak 2806 weight 1.00000E+00 volume 1.98000E+07 ppm1 8.876 ppm2 3.913 ASSI { 4140} (( segid " A" and resid 38 and name HB )) ( segid " A" and resid 38 and name HG2#) 2.193 0.601 0.601 peak 4140 weight 1.00000E+00 volume 5.03405E+06 ppm1 1.835 ppm2 0.881 ASSI { 4141} (( segid " A" and resid 38 and name HB )) ( segid " A" and resid 38 and name HG1#) 2.201 0.606 0.606 peak 4141 weight 1.00000E+00 volume 4.92172E+06 ppm1 1.834 ppm2 0.739 ASSI { 2311} (( segid " A" and resid 38 and name HB )) (( segid " A" and resid 38 and name HN )) 2.573 0.828 0.828 peak 2311 weight 1.00000E+00 volume 9.18100E+07 ppm1 8.922 ppm2 1.813 ASSI { 2309} (( segid " A" and resid 38 and name HN )) (( segid " A" and resid 38 and name HA )) 3.034 1.151 1.151 peak 2309 weight 1.00000E+00 volume 3.41600E+07 ppm1 8.920 ppm2 4.801 ASSI { 2907} ( segid " A" and resid 38 and name HG2#) (( segid " A" and resid 38 and name HN )) 2.490 0.775 0.775 peak 2907 weight 1.00000E+00 volume 1.11720E+08 ppm1 8.922 ppm2 0.889 ASSI { 1013} (( segid " A" and resid 38 and name HN )) (( segid " A" and resid 39 and name HN )) 3.173 1.259 1.259 peak 1013 weight 1.00000E+00 volume 2.60986E+07 ppm1 8.921 ppm2 9.211 ASSI { 904} (( segid " A" and resid 39 and name HA )) (( segid " A" and resid 39 and name HB1 )) 2.822 0.995 0.995 peak 904 weight 1.00000E+00 volume 1.10865E+06 ppm1 3.250 ppm2 5.487 ASSI { 905} (( segid " A" and resid 39 and name HA )) (( segid " A" and resid 39 and name HB2 )) 2.418 0.731 0.731 peak 905 weight 1.00000E+00 volume 1.47735E+06 ppm1 3.064 ppm2 5.492 ASSI { 906} (( segid " A" and resid 39 and name HB1 )) (( segid " A" and resid 39 and name HB2 )) 2.273 0.646 0.646 peak 906 weight 1.00000E+00 volume 4.05440E+06 ppm1 3.254 ppm2 3.071 ASSI { 3611} (( segid " A" and resid 39 and name HB1 )) ( segid " A" and resid 39 and name HD# ) 2.532 0.801 0.801 peak 3611 weight 1.00000E+00 volume 2.12400E+06 ppm1 3.258 ppm2 7.089 ASSI { 4301} (( segid " A" and resid 39 and name HB2 )) ( segid " A" and resid 39 and name HD# ) 2.691 0.905 0.905 peak 4301 weight 1.00000E+00 volume 1.47553E+06 ppm1 3.063 ppm2 7.084 ASSI { 661} (( segid " A" and resid 39 and name HA )) (( segid " A" and resid 39 and name HN )) 2.951 1.089 1.089 peak 661 weight 1.00000E+00 volume 4.02981E+07 ppm1 9.226 ppm2 5.467 ASSI { 2437} (( segid " A" and resid 39 and name HB1 )) (( segid " A" and resid 39 and name HN )) 2.546 0.811 0.811 peak 2437 weight 1.00000E+00 volume 9.77200E+07 ppm1 9.227 ppm2 3.236 ASSI { 2438} (( segid " A" and resid 39 and name HB2 )) (( segid " A" and resid 39 and name HN )) 2.788 0.971 0.971 peak 2438 weight 1.00000E+00 volume 5.67800E+07 ppm1 9.227 ppm2 3.038 ASSI { 2917} ( segid " A" and resid 39 and name HD# ) (( segid " A" and resid 39 and name HN )) 2.703 0.913 0.913 peak 2917 weight 1.00000E+00 volume 6.83558E+07 ppm1 9.227 ppm2 7.067 ASSI { 481} (( segid " A" and resid 39 and name HA )) (( segid " A" and resid 40 and name HN )) 2.284 0.652 0.652 peak 481 weight 1.00000E+00 volume 1.87669E+08 ppm1 8.835 ppm2 5.473 ASSI { 899} (( segid " A" and resid 39 and name HA )) (( segid " A" and resid 124 and name HB1 )) 2.418 0.731 0.731 peak 899 weight 1.00000E+00 volume 2.80209E+06 ppm1 5.506 ppm2 3.044 ASSI { 912} (( segid " A" and resid 39 and name HB2 )) ( segid " A" and resid 126 and name HD1#) 2.396 0.717 0.717 peak 912 weight 1.00000E+00 volume 2.01563E+06 ppm1 3.067 ppm2 1.151 ASSI { 4058} (( segid " A" and resid 39 and name HB1 )) ( segid " A" and resid 126 and name HD1#) 2.377 0.707 0.707 peak 4058 weight 1.00000E+00 volume 3.10000E+06 ppm1 1.141 ppm2 3.250 ASSI { 175} (( segid " A" and resid 40 and name HN )) (( segid " A" and resid 39 and name HN )) 3.359 1.411 1.411 peak 175 weight 1.00000E+00 volume 1.85309E+07 ppm1 8.839 ppm2 9.210 ASSI { 2444} (( segid " A" and resid 40 and name HN )) (( segid " A" and resid 39 and name HB1 )) 3.225 1.300 1.300 peak 2444 weight 1.00000E+00 volume 2.36600E+07 ppm1 8.838 ppm2 3.239 ASSI { 1023} (( segid " A" and resid 40 and name HN )) ( segid " A" and resid 40 and name HB# ) 2.260 0.639 0.639 peak 1023 weight 1.00000E+00 volume 1.55884E+08 ppm1 8.837 ppm2 1.018 ASSI { 1022} (( segid " A" and resid 40 and name HN )) (( segid " A" and resid 40 and name HA )) 2.743 0.941 0.941 peak 1022 weight 1.00000E+00 volume 6.24840E+07 ppm1 8.837 ppm2 4.606 ASSI { 1467} (( segid " A" and resid 40 and name HN )) (( segid " A" and resid 124 and name HB1 )) 2.871 1.030 1.030 peak 1467 weight 1.00000E+00 volume 4.75531E+07 ppm1 8.837 ppm2 3.013 ASSI { 2443} (( segid " A" and resid 40 and name HN )) (( segid " A" and resid 125 and name HA )) 2.755 0.949 0.949 peak 2443 weight 1.00000E+00 volume 6.09000E+07 ppm1 8.840 ppm2 4.814 ASSI { 4064} (( segid " A" and resid 40 and name HN )) ( segid " A" and resid 126 and name HD1#) 2.701 0.912 0.912 peak 4064 weight 1.00000E+00 volume 1.44100E+06 ppm1 1.142 ppm2 8.806 ASSI { 1470} (( segid " A" and resid 40 and name HN )) ( segid " A" and resid 126 and name HG2#) 2.674 0.894 0.894 peak 1470 weight 1.00000E+00 volume 6.97325E+07 ppm1 8.836 ppm2 0.900 ASSI { 168} (( segid " A" and resid 40 and name HN )) (( segid " A" and resid 126 and name HN )) 2.899 1.050 1.050 peak 168 weight 1.00000E+00 volume 4.30315E+07 ppm1 8.839 ppm2 8.617 ASSI { 2822} ( segid " A" and resid 40 and name HB# ) (( segid " A" and resid 126 and name HN )) 2.773 0.962 0.962 peak 2822 weight 1.00000E+00 volume 5.85300E+07 ppm1 8.606 ppm2 1.023 ASSI { 4292} (( segid " A" and resid 42 and name HN )) ( segid " A" and resid 41 and name HB# ) 2.719 0.924 0.924 peak 4292 weight 1.00000E+00 volume 1.38432E+06 ppm1 1.583 ppm2 7.061 ASSI { 482} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 41 and name HA )) 2.287 0.654 0.654 peak 482 weight 1.00000E+00 volume 1.86182E+08 ppm1 7.058 ppm2 5.011 ASSI { 2452} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 41 and name HB2 )) 2.662 0.886 0.886 peak 2452 weight 1.00000E+00 volume 7.47800E+07 ppm1 7.057 ppm2 1.555 ASSI { 921} (( segid " A" and resid 42 and name HB1 )) (( segid " A" and resid 42 and name HA )) 2.945 1.084 1.084 peak 921 weight 1.00000E+00 volume 8.58516E+05 ppm1 2.494 ppm2 4.700 ASSI { 910} (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 42 and name HB1 )) 2.499 0.781 0.781 peak 910 weight 1.00000E+00 volume 1.65213E+06 ppm1 3.248 ppm2 2.501 ASSI { 1100} (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 42 and name HN )) 3.069 1.177 1.177 peak 1100 weight 1.00000E+00 volume 3.18886E+07 ppm1 7.061 ppm2 3.267 ASSI { 1102} (( segid " A" and resid 42 and name HA )) (( segid " A" and resid 42 and name HN )) 3.065 1.174 1.174 peak 1102 weight 1.00000E+00 volume 3.21180E+07 ppm1 7.059 ppm2 4.722 ASSI { 1487} (( segid " A" and resid 42 and name HD21)) (( segid " A" and resid 42 and name HD22)) 2.160 0.583 0.583 peak 1487 weight 1.00000E+00 volume 2.61945E+08 ppm1 6.836 ppm2 7.449 ASSI { 1489} (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 42 and name HD22)) 2.874 1.033 1.033 peak 1489 weight 1.00000E+00 volume 4.72456E+07 ppm1 7.454 ppm2 3.273 ASSI { 1490} (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 42 and name HD21)) 2.923 1.068 1.068 peak 1490 weight 1.00000E+00 volume 4.26682E+07 ppm1 6.838 ppm2 3.271 ASSI { 1500} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 42 and name HD21)) 3.387 1.434 1.434 peak 1500 weight 1.00000E+00 volume 1.76303E+07 ppm1 6.832 ppm2 7.071 ASSI { 2449} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 42 and name HD22)) 3.423 1.465 1.465 peak 2449 weight 1.00000E+00 volume 1.65600E+07 ppm1 7.059 ppm2 7.431 ASSI { 2451} (( segid " A" and resid 42 and name HB1 )) (( segid " A" and resid 42 and name HN )) 2.795 0.976 0.976 peak 2451 weight 1.00000E+00 volume 5.58800E+07 ppm1 7.060 ppm2 2.476 ASSI { 2457} (( segid " A" and resid 42 and name HA )) (( segid " A" and resid 42 and name HD22)) 3.229 1.303 1.303 peak 2457 weight 1.00000E+00 volume 2.35100E+07 ppm1 7.456 ppm2 4.750 ASSI { 2459} (( segid " A" and resid 42 and name HB1 )) (( segid " A" and resid 42 and name HD22)) 2.788 0.971 0.971 peak 2459 weight 1.00000E+00 volume 5.67600E+07 ppm1 7.454 ppm2 2.477 ASSI { 2858} (( segid " A" and resid 42 and name HB1 )) (( segid " A" and resid 42 and name HD21)) 2.834 1.004 1.004 peak 2858 weight 1.00000E+00 volume 5.14631E+07 ppm1 6.838 ppm2 2.471 ASSI { 377} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 43 and name HN )) 3.510 1.540 1.540 peak 377 weight 1.00000E+00 volume 1.42331E+07 ppm1 7.060 ppm2 8.861 ASSI { 1103} (( segid " A" and resid 42 and name HA )) (( segid " A" and resid 43 and name HN )) 2.671 0.892 0.892 peak 1103 weight 1.00000E+00 volume 7.33649E+07 ppm1 8.876 ppm2 4.738 ASSI { 2465} (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 43 and name HN )) 2.657 0.882 0.882 peak 2465 weight 1.00000E+00 volume 7.57210E+07 ppm1 8.878 ppm2 3.278 ASSI { 1511} (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 44 and name HN )) 2.986 1.114 1.114 peak 1511 weight 1.00000E+00 volume 3.75893E+07 ppm1 8.030 ppm2 3.284 ASSI { 2234} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 44 and name HN )) 3.409 1.452 1.452 peak 2234 weight 1.00000E+00 volume 1.69760E+07 ppm1 8.030 ppm2 7.066 ASSI { 212} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 45 and name HN )) 3.041 1.156 1.156 peak 212 weight 1.00000E+00 volume 2.59656E+07 ppm1 7.058 ppm2 8.070 ASSI { 2471} (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 45 and name HN )) 3.432 1.472 1.472 peak 2471 weight 1.00000E+00 volume 1.63100E+07 ppm1 8.077 ppm2 3.263 ASSI { 3966} (( segid " A" and resid 42 and name HB2 )) ( segid " A" and resid 112 and name HD1#) 2.197 0.604 0.604 peak 3966 weight 1.00000E+00 volume 4.97300E+06 ppm1 0.859 ppm2 3.236 ASSI { 4040} (( segid " A" and resid 42 and name HB1 )) ( segid " A" and resid 125 and name HG2#) 2.689 0.904 0.904 peak 4040 weight 1.00000E+00 volume 1.48200E+06 ppm1 1.386 ppm2 2.489 ASSI { 213} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 126 and name HN )) 2.905 1.055 1.055 peak 213 weight 1.00000E+00 volume 2.40878E+07 ppm1 7.061 ppm2 8.606 ASSI { 2563} (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 128 and name HN )) 3.039 1.155 1.155 peak 2563 weight 1.00000E+00 volume 3.37900E+07 ppm1 7.342 ppm2 7.058 ASSI { 665} (( segid " A" and resid 43 and name HA )) (( segid " A" and resid 43 and name HN )) 2.735 0.935 0.935 peak 665 weight 1.00000E+00 volume 6.36959E+07 ppm1 8.873 ppm2 4.664 ASSI { 666} (( segid " A" and resid 43 and name HN )) (( segid " A" and resid 43 and name HB1 )) 2.727 0.929 0.929 peak 666 weight 1.00000E+00 volume 6.48263E+07 ppm1 8.874 ppm2 2.657 ASSI { 1105} (( segid " A" and resid 43 and name HN )) (( segid " A" and resid 43 and name HB2 )) 2.476 0.766 0.766 peak 1105 weight 1.00000E+00 volume 1.15598E+08 ppm1 8.878 ppm2 2.488 ASSI { 2467} (( segid " A" and resid 43 and name HA )) (( segid " A" and resid 44 and name HN )) 2.731 0.932 0.932 peak 2467 weight 1.00000E+00 volume 6.42500E+07 ppm1 8.029 ppm2 4.632 ASSI { 131} (( segid " A" and resid 43 and name HN )) (( segid " A" and resid 44 and name HN )) 2.642 0.872 0.872 peak 131 weight 1.00000E+00 volume 4.49855E+07 ppm1 8.877 ppm2 8.033 ASSI { 1507} (( segid " A" and resid 44 and name HN )) (( segid " A" and resid 42 and name HD21)) 3.070 1.178 1.178 peak 1507 weight 1.00000E+00 volume 3.18080E+07 ppm1 8.027 ppm2 6.834 ASSI { 2458} (( segid " A" and resid 44 and name HB2 )) (( segid " A" and resid 42 and name HD22)) 3.147 1.238 1.238 peak 2458 weight 1.00000E+00 volume 2.74300E+07 ppm1 7.451 ppm2 2.667 ASSI { 2460} (( segid " A" and resid 44 and name HB2 )) (( segid " A" and resid 42 and name HD21)) 3.101 1.202 1.202 peak 2460 weight 1.00000E+00 volume 2.99500E+07 ppm1 6.846 ppm2 2.655 ASSI { 2846} (( segid " A" and resid 44 and name HN )) (( segid " A" and resid 43 and name HB2 )) 2.456 0.754 0.754 peak 2846 weight 1.00000E+00 volume 1.21300E+08 ppm1 8.028 ppm2 2.530 ASSI { 196} (( segid " A" and resid 44 and name HB1 )) (( segid " A" and resid 44 and name HA )) 2.069 0.535 0.535 peak 196 weight 1.00000E+00 volume 3.89807E+06 ppm1 2.695 ppm2 4.386 ASSI { 3438} (( segid " A" and resid 44 and name HB2 )) (( segid " A" and resid 44 and name HA )) 2.288 0.655 0.655 peak 3438 weight 1.00000E+00 volume 3.89800E+06 ppm1 2.695 ppm2 4.386 ASSI { 662} (( segid " A" and resid 44 and name HB1 )) (( segid " A" and resid 44 and name HN )) 2.065 0.533 0.533 peak 662 weight 1.00000E+00 volume 3.43990E+08 ppm1 8.028 ppm2 2.676 ASSI { 667} (( segid " A" and resid 44 and name HA )) (( segid " A" and resid 44 and name HN )) 2.282 0.651 0.651 peak 667 weight 1.00000E+00 volume 1.88837E+08 ppm1 8.027 ppm2 4.372 ASSI { 1108} (( segid " A" and resid 44 and name HB2 )) (( segid " A" and resid 44 and name HN )) 2.085 0.543 0.543 peak 1108 weight 1.00000E+00 volume 3.24596E+08 ppm1 8.029 ppm2 2.618 ASSI { 2238} ( segid " A" and resid 44 and name HB# ) (( segid " A" and resid 44 and name HN )) 2.233 0.623 0.623 peak 2238 weight 1.00000E+00 volume 2.14656E+08 ppm1 8.029 ppm2 2.656 ASSI { 485} (( segid " A" and resid 44 and name HA )) (( segid " A" and resid 45 and name HN )) 2.753 0.947 0.947 peak 485 weight 1.00000E+00 volume 6.11763E+07 ppm1 8.080 ppm2 4.377 ASSI { 1109} (( segid " A" and resid 44 and name HB2 )) (( segid " A" and resid 45 and name HN )) 2.485 0.772 0.772 peak 1109 weight 1.00000E+00 volume 1.13116E+08 ppm1 8.079 ppm2 2.622 ASSI { 1110} (( segid " A" and resid 44 and name HA )) (( segid " A" and resid 46 and name HN )) 3.144 1.236 1.236 peak 1110 weight 1.00000E+00 volume 2.75710E+07 ppm1 7.923 ppm2 4.393 ASSI { 3618} (( segid " A" and resid 44 and name HA )) ( segid " A" and resid 47 and name HB# ) 1.895 0.449 0.449 peak 3618 weight 1.00000E+00 volume 1.20800E+07 ppm1 4.392 ppm2 1.586 ASSI { 3619} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 41 and name HB2 )) 2.033 0.516 0.516 peak 3619 weight 1.00000E+00 volume 7.93600E+06 ppm1 1.349 ppm2 1.563 ASSI { 3626} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 41 and name HA )) 2.591 0.839 0.839 peak 3626 weight 1.00000E+00 volume 1.85000E+06 ppm1 1.348 ppm2 5.039 ASSI { 2453} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 42 and name HN )) 2.322 0.674 0.674 peak 2453 weight 1.00000E+00 volume 1.69800E+08 ppm1 7.058 ppm2 1.338 ASSI { 2450} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 42 and name HN )) 3.636 1.652 1.652 peak 2450 weight 1.00000E+00 volume 1.15300E+07 ppm1 7.053 ppm2 4.035 ASSI { 2461} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 42 and name HD22)) 2.858 1.021 1.021 peak 2461 weight 1.00000E+00 volume 4.89000E+07 ppm1 7.454 ppm2 1.347 ASSI { 2462} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 42 and name HD21)) 2.885 1.040 1.040 peak 2462 weight 1.00000E+00 volume 4.62000E+07 ppm1 6.838 ppm2 1.346 ASSI { 2287} (( segid " A" and resid 45 and name HN )) (( segid " A" and resid 43 and name HN )) 3.242 1.314 1.314 peak 2287 weight 1.00000E+00 volume 2.29400E+07 ppm1 8.076 ppm2 8.867 ASSI { 2470} (( segid " A" and resid 45 and name HN )) (( segid " A" and resid 43 and name HA )) 3.076 1.182 1.182 peak 2470 weight 1.00000E+00 volume 3.14700E+07 ppm1 8.082 ppm2 4.626 ASSI { 671} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 44 and name HN )) 2.809 0.987 0.987 peak 671 weight 1.00000E+00 volume 5.41805E+07 ppm1 8.029 ppm2 1.340 ASSI { 671} (( segid " A" and resid 45 and name HA )) ( segid " A" and resid 45 and name HB# ) 1.921 0.461 0.461 peak 671 weight 1.00000E+00 volume 1.11294E+07 ppm1 4.051 ppm2 1.344 ASSI { 668} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 45 and name HN )) 2.429 0.738 0.738 peak 668 weight 1.00000E+00 volume 1.29618E+08 ppm1 8.078 ppm2 4.043 ASSI { 669} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 45 and name HN )) 2.124 0.564 0.564 peak 669 weight 1.00000E+00 volume 2.90013E+08 ppm1 8.079 ppm2 1.336 ASSI { 487} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 46 and name HN )) 2.345 0.687 0.687 peak 487 weight 1.00000E+00 volume 1.60172E+08 ppm1 7.924 ppm2 1.337 ASSI { 688} (( segid " A" and resid 45 and name HN )) (( segid " A" and resid 46 and name HB1 )) 3.188 1.271 1.271 peak 688 weight 1.00000E+00 volume 2.53679E+07 ppm1 8.078 ppm2 2.957 ASSI { 689} (( segid " A" and resid 45 and name HN )) (( segid " A" and resid 46 and name HB2 )) 3.238 1.310 1.310 peak 689 weight 1.00000E+00 volume 2.31280E+07 ppm1 8.077 ppm2 3.093 ASSI { 198} (( segid " A" and resid 45 and name HN )) (( segid " A" and resid 46 and name HN )) 2.207 0.609 0.609 peak 198 weight 1.00000E+00 volume 2.30477E+08 ppm1 7.925 ppm2 8.086 ASSI { 2482} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 47 and name HN )) 2.927 1.071 1.071 peak 2482 weight 1.00000E+00 volume 4.23400E+07 ppm1 8.111 ppm2 1.338 ASSI { 672} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 48 and name HG2 )) 2.362 0.698 0.698 peak 672 weight 1.00000E+00 volume 3.22097E+06 ppm1 4.054 ppm2 1.867 ASSI { 3620} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 48 and name HG2 )) 2.548 0.812 0.812 peak 3620 weight 1.00000E+00 volume 2.04600E+06 ppm1 1.351 ppm2 1.856 ASSI { 3635} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 48 and name HB2 )) 2.651 0.878 0.878 peak 3635 weight 1.00000E+00 volume 1.61300E+06 ppm1 2.004 ppm2 4.030 ASSI { 1111} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 48 and name HN )) 3.204 1.284 1.284 peak 1111 weight 1.00000E+00 volume 2.46052E+07 ppm1 7.209 ppm2 4.059 ASSI { 3625} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 127 and name HA )) 2.316 0.671 0.671 peak 3625 weight 1.00000E+00 volume 3.62600E+06 ppm1 1.351 ppm2 4.561 ASSI { 676} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 128 and name HA )) 2.423 0.734 0.734 peak 676 weight 1.00000E+00 volume 2.76528E+06 ppm1 4.052 ppm2 4.438 ASSI { 3624} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 128 and name HA )) 2.341 0.685 0.685 peak 3624 weight 1.00000E+00 volume 3.40400E+06 ppm1 1.349 ppm2 4.468 ASSI { 1699} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 128 and name HN )) 3.217 1.294 1.294 peak 1699 weight 1.00000E+00 volume 2.40303E+07 ppm1 7.342 ppm2 4.050 ASSI { 2831} (( segid " A" and resid 45 and name HA )) (( segid " A" and resid 129 and name HN )) 3.160 1.248 1.248 peak 2831 weight 1.00000E+00 volume 2.67600E+07 ppm1 8.821 ppm2 4.048 ASSI { 2834} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 129 and name HN )) 2.594 0.841 0.841 peak 2834 weight 1.00000E+00 volume 8.74200E+07 ppm1 8.822 ppm2 1.337 ASSI { 692} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 41 and name HB2 )) 2.718 0.924 0.924 peak 692 weight 1.00000E+00 volume 6.60190E+07 ppm1 7.924 ppm2 1.564 ASSI { 3630} (( segid " A" and resid 46 and name HB2 )) (( segid " A" and resid 43 and name HA )) 2.475 0.766 0.766 peak 3630 weight 1.00000E+00 volume 2.43700E+06 ppm1 3.147 ppm2 4.611 ASSI { 2476} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 43 and name HA )) 2.677 0.896 0.896 peak 2476 weight 1.00000E+00 volume 7.24000E+07 ppm1 7.923 ppm2 4.622 ASSI { 2477} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 43 and name HB1 )) 3.645 1.661 1.661 peak 2477 weight 1.00000E+00 volume 1.13500E+07 ppm1 7.924 ppm2 2.650 ASSI { 969} (( segid " A" and resid 46 and name HA )) (( segid " A" and resid 46 and name HB2 )) 2.535 0.803 0.803 peak 969 weight 1.00000E+00 volume 2.10882E+06 ppm1 4.065 ppm2 3.153 ASSI { 970} (( segid " A" and resid 46 and name HA )) (( segid " A" and resid 46 and name HB1 )) 2.637 0.869 0.869 peak 970 weight 1.00000E+00 volume 1.66593E+06 ppm1 4.065 ppm2 2.996 ASSI { 983} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 46 and name HB1 )) 2.903 1.054 1.054 peak 983 weight 1.00000E+00 volume 9.34596E+05 ppm1 2.985 ppm2 7.900 ASSI { 685} (( segid " A" and resid 46 and name HA )) (( segid " A" and resid 46 and name HN )) 2.407 0.724 0.724 peak 685 weight 1.00000E+00 volume 1.36838E+08 ppm1 7.923 ppm2 4.051 ASSI { 687} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 46 and name HB2 )) 2.481 0.769 0.769 peak 687 weight 1.00000E+00 volume 1.14296E+08 ppm1 7.924 ppm2 3.126 ASSI { 201} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 47 and name HN )) 2.239 0.627 0.627 peak 201 weight 1.00000E+00 volume 2.11341E+08 ppm1 7.926 ppm2 8.098 ASSI { 489} (( segid " A" and resid 46 and name HB2 )) (( segid " A" and resid 47 and name HN )) 2.815 0.990 0.990 peak 489 weight 1.00000E+00 volume 5.35693E+07 ppm1 8.111 ppm2 3.113 ASSI { 490} (( segid " A" and resid 46 and name HB1 )) (( segid " A" and resid 47 and name HN )) 2.761 0.953 0.953 peak 490 weight 1.00000E+00 volume 6.00716E+07 ppm1 8.111 ppm2 2.957 ASSI { 2901} (( segid " A" and resid 46 and name HA )) (( segid " A" and resid 47 and name HN )) 2.435 0.741 0.741 peak 2901 weight 1.00000E+00 volume 1.27818E+08 ppm1 8.096 ppm2 4.032 OR { 2901} (( segid " A" and resid 29 and name HA )) (( segid " A" and resid 29 and name HN )) ASSI { 3641} (( segid " A" and resid 46 and name HA )) ( segid " A" and resid 49 and name HD1#) 2.420 0.732 0.732 peak 3641 weight 1.00000E+00 volume 2.78500E+06 ppm1 1.023 ppm2 4.046 ASSI { 3667} (( segid " A" and resid 46 and name HA )) (( segid " A" and resid 49 and name HG )) 2.419 0.732 0.732 peak 3667 weight 1.00000E+00 volume 2.79300E+06 ppm1 4.064 ppm2 1.963 ASSI { 2478} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 49 and name HG )) 3.278 1.343 1.343 peak 2478 weight 1.00000E+00 volume 2.14800E+07 ppm1 7.923 ppm2 1.917 ASSI { 2484} (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 49 and name HN )) 3.739 1.747 1.747 peak 2484 weight 1.00000E+00 volume 9.75400E+06 ppm1 7.380 ppm2 7.920 ASSI { 2486} (( segid " A" and resid 46 and name HA )) (( segid " A" and resid 49 and name HN )) 2.875 1.033 1.033 peak 2486 weight 1.00000E+00 volume 4.72000E+07 ppm1 7.381 ppm2 4.035 ASSI { 1530} (( segid " A" and resid 47 and name HN )) (( segid " A" and resid 43 and name HB1 )) 3.230 1.304 1.304 peak 1530 weight 1.00000E+00 volume 2.34641E+07 ppm1 8.110 ppm2 2.650 OR { 1530} ( segid " A" and resid 44 and name HB# ) (( segid " A" and resid 47 and name HN )) ASSI { 2241} ( segid " A" and resid 47 and name HB# ) (( segid " A" and resid 44 and name HN )) 3.064 1.174 1.174 peak 2241 weight 1.00000E+00 volume 3.21657E+07 ppm1 8.028 ppm2 1.565 OR { 2241} (( segid " A" and resid 48 and name HG1 )) (( segid " A" and resid 44 and name HN )) ASSI { 985} (( segid " A" and resid 47 and name HA )) ( segid " A" and resid 47 and name HB# ) 1.710 0.366 0.366 peak 985 weight 1.00000E+00 volume 1.26754E+07 ppm1 4.318 ppm2 1.588 ASSI { 986} (( segid " A" and resid 47 and name HA )) (( segid " A" and resid 47 and name HN )) 2.419 0.731 0.731 peak 986 weight 1.00000E+00 volume 2.79359E+06 ppm1 4.318 ppm2 8.113 ASSI { 691} ( segid " A" and resid 47 and name HB# ) (( segid " A" and resid 47 and name HN )) 1.907 0.455 0.455 peak 691 weight 1.00000E+00 volume 3.78898E+08 ppm1 8.112 ppm2 1.567 ASSI { 3633} ( segid " A" and resid 47 and name HB# ) (( segid " A" and resid 48 and name HN )) 2.371 0.703 0.703 peak 3633 weight 1.00000E+00 volume 3.15300E+06 ppm1 1.591 ppm2 7.211 ASSI { 203} (( segid " A" and resid 47 and name HN )) (( segid " A" and resid 48 and name HN )) 2.437 0.742 0.742 peak 203 weight 1.00000E+00 volume 1.27125E+08 ppm1 8.113 ppm2 7.214 ASSI { 1535} (( segid " A" and resid 47 and name HN )) (( segid " A" and resid 49 and name HN )) 2.805 0.983 0.983 peak 1535 weight 1.00000E+00 volume 2.35270E+07 ppm1 7.376 ppm2 8.098 ASSI { 694} (( segid " A" and resid 48 and name HA )) (( segid " A" and resid 48 and name HN )) 2.369 0.702 0.702 peak 694 weight 1.00000E+00 volume 5.75797E+07 ppm1 7.209 ppm2 4.251 ASSI { 1001} (( segid " A" and resid 48 and name HG1 )) (( segid " A" and resid 48 and name HB1 )) 2.406 0.724 0.724 peak 1001 weight 1.00000E+00 volume 2.88616E+06 ppm1 2.007 ppm2 1.539 ASSI { 1002} (( segid " A" and resid 48 and name HG1 )) (( segid " A" and resid 48 and name HB2 )) 2.388 0.713 0.713 peak 1002 weight 1.00000E+00 volume 3.01556E+06 ppm1 1.931 ppm2 1.548 ASSI { 1003} (( segid " A" and resid 48 and name HG2 )) (( segid " A" and resid 48 and name HB1 )) 1.963 0.482 0.482 peak 1003 weight 1.00000E+00 volume 9.78187E+06 ppm1 2.009 ppm2 1.836 ASSI { 1005} (( segid " A" and resid 48 and name HB1 )) (( segid " A" and resid 48 and name HB2 )) 1.630 0.332 0.332 peak 1005 weight 1.00000E+00 volume 2.98968E+07 ppm1 2.007 ppm2 1.928 ASSI { 1009} (( segid " A" and resid 48 and name HA )) (( segid " A" and resid 48 and name HB1 )) 1.840 0.423 0.423 peak 1009 weight 1.00000E+00 volume 2.48448E+06 ppm1 2.007 ppm2 4.267 ASSI { 1014} (( segid " A" and resid 48 and name HG1 )) ( segid " A" and resid 48 and name HD# ) 2.015 0.508 0.508 peak 1014 weight 1.00000E+00 volume 8.35992E+06 ppm1 1.815 ppm2 1.546 ASSI { 1016} ( segid " A" and resid 48 and name HD# ) ( segid " A" and resid 48 and name HE# ) 1.981 0.490 0.490 peak 1016 weight 1.00000E+00 volume 6.82327E+06 ppm1 1.816 ppm2 3.071 ASSI { 1028} (( segid " A" and resid 48 and name HB1 )) (( segid " A" and resid 48 and name HE1 )) 2.595 0.842 0.842 peak 1028 weight 1.00000E+00 volume 1.83178E+06 ppm1 3.092 ppm2 1.992 ASSI { 1034} (( segid " A" and resid 48 and name HG2 )) (( segid " A" and resid 48 and name HG1 )) 1.933 0.467 0.467 peak 1034 weight 1.00000E+00 volume 1.07482E+07 ppm1 1.536 ppm2 1.848 ASSI { 1037} (( segid " A" and resid 48 and name HG2 )) ( segid " A" and resid 48 and name HE# ) 3.039 1.154 1.154 peak 1037 weight 1.00000E+00 volume 7.10869E+05 ppm1 1.850 ppm2 3.108 ASSI { 1038} (( segid " A" and resid 48 and name HG1 )) ( segid " A" and resid 48 and name HE# ) 2.688 0.903 0.903 peak 1038 weight 1.00000E+00 volume 1.48380E+06 ppm1 1.534 ppm2 3.104 ASSI { 1039} (( segid " A" and resid 48 and name HG2 )) (( segid " A" and resid 48 and name HA )) 2.894 1.047 1.047 peak 1039 weight 1.00000E+00 volume 9.53330E+05 ppm1 1.853 ppm2 4.261 ASSI { 1040} (( segid " A" and resid 48 and name HG1 )) (( segid " A" and resid 48 and name HA )) 2.487 0.773 0.773 peak 1040 weight 1.00000E+00 volume 2.36729E+06 ppm1 1.538 ppm2 4.269 ASSI { 3637} (( segid " A" and resid 48 and name HA )) (( segid " A" and resid 48 and name HB2 )) 2.743 0.941 0.941 peak 3637 weight 1.00000E+00 volume 1.31300E+06 ppm1 1.929 ppm2 4.272 ASSI { 695} (( segid " A" and resid 48 and name HN )) (( segid " A" and resid 48 and name HB2 )) 2.617 0.856 0.856 peak 695 weight 1.00000E+00 volume 8.29952E+07 ppm1 7.208 ppm2 1.894 ASSI { 696} (( segid " A" and resid 48 and name HN )) (( segid " A" and resid 48 and name HB1 )) 2.720 0.925 0.925 peak 696 weight 1.00000E+00 volume 6.58157E+07 ppm1 7.208 ppm2 1.982 ASSI { 206} (( segid " A" and resid 48 and name HN )) (( segid " A" and resid 49 and name HN )) 2.412 0.727 0.727 peak 206 weight 1.00000E+00 volume 4.61737E+07 ppm1 7.209 ppm2 7.373 ASSI { 493} (( segid " A" and resid 48 and name HA )) (( segid " A" and resid 49 and name HN )) 2.614 0.854 0.854 peak 493 weight 1.00000E+00 volume 8.34034E+07 ppm1 7.379 ppm2 4.269 ASSI { 494} (( segid " A" and resid 48 and name HB2 )) (( segid " A" and resid 49 and name HN )) 2.225 0.619 0.619 peak 494 weight 1.00000E+00 volume 2.19733E+08 ppm1 7.380 ppm2 1.919 ASSI { 1540} ( segid " A" and resid 48 and name HE# ) (( segid " A" and resid 49 and name HN )) 3.681 1.694 1.694 peak 1540 weight 1.00000E+00 volume 1.07114E+07 ppm1 7.377 ppm2 3.099 ASSI { 2488} (( segid " A" and resid 48 and name HG1 )) (( segid " A" and resid 49 and name HN )) 2.908 1.057 1.057 peak 2488 weight 1.00000E+00 volume 4.40100E+07 ppm1 7.383 ppm2 1.562 ASSI { 4225} ( segid " A" and resid 48 and name HD# ) (( segid " A" and resid 50 and name HD1 )) 3.404 1.448 1.448 peak 4225 weight 1.00000E+00 volume 3.60057E+05 ppm1 3.982 ppm2 1.820 ASSI { 1024} ( segid " A" and resid 48 and name HE# ) ( segid " A" and resid 128 and name HG2#) 2.513 0.789 0.789 peak 1024 weight 1.00000E+00 volume 1.67634E+06 ppm1 3.098 ppm2 1.186 ASSI { 4079} (( segid " A" and resid 48 and name HG2 )) ( segid " A" and resid 128 and name HG2#) 2.355 0.693 0.693 peak 4079 weight 1.00000E+00 volume 3.28000E+06 ppm1 1.196 ppm2 1.868 ASSI { 2832} (( segid " A" and resid 48 and name HB2 )) (( segid " A" and resid 129 and name HN )) 3.188 1.270 1.270 peak 2832 weight 1.00000E+00 volume 2.53800E+07 ppm1 8.822 ppm2 1.902 ASSI { 1043} (( segid " A" and resid 49 and name HB1 )) (( segid " A" and resid 49 and name HB2 )) 2.489 0.774 0.774 peak 1043 weight 1.00000E+00 volume 2.17362E+06 ppm1 2.063 ppm2 1.335 ASSI { 1045} (( segid " A" and resid 49 and name HB1 )) ( segid " A" and resid 49 and name HD1#) 2.367 0.700 0.700 peak 1045 weight 1.00000E+00 volume 3.18185E+06 ppm1 2.069 ppm2 0.980 ASSI { 1047} ( segid " A" and resid 49 and name HD2#) (( segid " A" and resid 49 and name HN )) 2.366 0.700 0.700 peak 1047 weight 1.00000E+00 volume 3.19256E+06 ppm1 0.918 ppm2 7.383 ASSI { 1048} ( segid " A" and resid 49 and name HD2#) (( segid " A" and resid 49 and name HA )) 2.082 0.542 0.542 peak 1048 weight 1.00000E+00 volume 6.86788E+06 ppm1 0.918 ppm2 4.527 ASSI { 1046} (( segid " A" and resid 49 and name HB2 )) ( segid " A" and resid 49 and name HD1#) 2.238 0.626 0.626 peak 1046 weight 1.00000E+00 volume 2.09115E+06 ppm1 1.338 ppm2 0.984 ASSI { 1061} ( segid " A" and resid 49 and name HD1#) (( segid " A" and resid 49 and name HA )) 2.748 0.944 0.944 peak 1061 weight 1.00000E+00 volume 1.29940E+06 ppm1 1.023 ppm2 4.533 ASSI { 1068} (( segid " A" and resid 49 and name HB2 )) (( segid " A" and resid 49 and name HG )) 2.371 0.702 0.702 peak 1068 weight 1.00000E+00 volume 3.15468E+06 ppm1 1.941 ppm2 1.345 ASSI { 1077} (( segid " A" and resid 49 and name HN )) (( segid " A" and resid 49 and name HG )) 2.695 0.908 0.908 peak 1077 weight 1.00000E+00 volume 1.46270E+06 ppm1 1.935 ppm2 7.382 ASSI { 3644} ( segid " A" and resid 49 and name HD2#) (( segid " A" and resid 49 and name HG )) 2.085 0.543 0.543 peak 3644 weight 1.00000E+00 volume 6.82200E+06 ppm1 1.934 ppm2 0.956 ASSI { 1059} ( segid " A" and resid 49 and name HD1#) (( segid " A" and resid 49 and name HG )) 2.119 0.561 0.561 peak 1059 weight 1.00000E+00 volume 6.18327E+06 ppm1 1.023 ppm2 1.958 ASSI { 495} (( segid " A" and resid 49 and name HB1 )) (( segid " A" and resid 49 and name HN )) 2.327 0.677 0.677 peak 495 weight 1.00000E+00 volume 1.67939E+08 ppm1 7.380 ppm2 2.036 ASSI { 2485} (( segid " A" and resid 49 and name HN )) (( segid " A" and resid 49 and name HA )) 2.618 0.857 0.857 peak 2485 weight 1.00000E+00 volume 8.26600E+07 ppm1 7.379 ppm2 4.501 ASSI { 4222} (( segid " A" and resid 49 and name HB1 )) (( segid " A" and resid 50 and name HD2 )) 2.094 0.548 0.548 peak 4222 weight 1.00000E+00 volume 6.64830E+06 ppm1 3.512 ppm2 2.074 OR { 4222} ( segid " A" and resid 97 and name HG# ) (( segid " A" and resid 97 and name HD2 )) OR { 4222} (( segid " A" and resid 97 and name HG1 )) (( segid " A" and resid 97 and name HD1 )) ASSI { 4223} (( segid " A" and resid 49 and name HB1 )) (( segid " A" and resid 50 and name HD1 )) 2.243 0.629 0.629 peak 4223 weight 1.00000E+00 volume 4.39701E+06 ppm1 3.978 ppm2 2.074 ASSI { 4229} (( segid " A" and resid 49 and name HB2 )) (( segid " A" and resid 50 and name HD2 )) 2.422 0.733 0.733 peak 4229 weight 1.00000E+00 volume 2.77481E+06 ppm1 3.505 ppm2 1.315 ASSI { 4230} (( segid " A" and resid 49 and name HB2 )) (( segid " A" and resid 50 and name HD1 )) 2.934 1.076 1.076 peak 4230 weight 1.00000E+00 volume 8.78241E+05 ppm1 3.980 ppm2 1.309 ASSI { 4088} ( segid " A" and resid 49 and name HD2#) (( segid " A" and resid 129 and name HB )) 2.363 0.698 0.698 peak 4088 weight 1.00000E+00 volume 3.21600E+06 ppm1 1.773 ppm2 0.950 ASSI { 2447} ( segid " A" and resid 49 and name HD2#) (( segid " A" and resid 129 and name HN )) 2.694 0.907 0.907 peak 2447 weight 1.00000E+00 volume 6.97300E+07 ppm1 8.836 ppm2 0.900 OR { 2447} (( segid " A" and resid 40 and name HN )) ( segid " A" and resid 126 and name HG2#) ASSI { 4219} (( segid " A" and resid 50 and name HD1 )) (( segid " A" and resid 50 and name HD2 )) 2.277 0.648 0.648 peak 4219 weight 1.00000E+00 volume 4.01611E+06 ppm1 3.512 ppm2 3.975 ASSI { 1081} (( segid " A" and resid 52 and name HA1 )) (( segid " A" and resid 52 and name HA2 )) 2.086 0.544 0.544 peak 1081 weight 1.00000E+00 volume 6.39418E+06 ppm1 4.315 ppm2 3.796 ASSI { 1011} (( segid " A" and resid 52 and name HA1 )) (( segid " A" and resid 53 and name HN )) 2.827 0.999 0.999 peak 1011 weight 1.00000E+00 volume 5.21812E+07 ppm1 8.091 ppm2 4.304 ASSI { 1114} (( segid " A" and resid 52 and name HA2 )) (( segid " A" and resid 53 and name HN )) 2.940 1.080 1.080 peak 1114 weight 1.00000E+00 volume 4.12907E+07 ppm1 8.090 ppm2 3.766 ASSI { 1551} (( segid " A" and resid 52 and name HA2 )) (( segid " A" and resid 54 and name HN )) 3.188 1.270 1.270 peak 1551 weight 1.00000E+00 volume 2.53808E+07 ppm1 8.661 ppm2 3.902 ASSI { 2494} (( segid " A" and resid 52 and name HA2 )) (( segid " A" and resid 55 and name HN )) 3.347 1.400 1.400 peak 2494 weight 1.00000E+00 volume 1.89500E+07 ppm1 7.872 ppm2 4.311 ASSI { 1215} (( segid " A" and resid 53 and name HB )) (( segid " A" and resid 53 and name HA )) 2.765 0.956 0.956 peak 1215 weight 1.00000E+00 volume 1.25215E+06 ppm1 3.935 ppm2 4.175 ASSI { 1216} (( segid " A" and resid 53 and name HB )) ( segid " A" and resid 53 and name HG2#) 2.377 0.706 0.706 peak 1216 weight 1.00000E+00 volume 3.10569E+06 ppm1 4.210 ppm2 1.228 ASSI { 1214} ( segid " A" and resid 53 and name HG2#) (( segid " A" and resid 53 and name HA )) 1.974 0.487 0.487 peak 1214 weight 1.00000E+00 volume 2.78290E+06 ppm1 3.946 ppm2 1.225 ASSI { 1010} (( segid " A" and resid 53 and name HA )) (( segid " A" and resid 53 and name HN )) 2.637 0.869 0.869 peak 1010 weight 1.00000E+00 volume 7.92918E+07 ppm1 8.090 ppm2 3.929 ASSI { 452} (( segid " A" and resid 53 and name HB )) (( segid " A" and resid 53 and name HN )) 2.409 0.725 0.725 peak 452 weight 1.00000E+00 volume 1.36466E+08 ppm1 8.086 ppm2 4.189 ASSI { 707} (( segid " A" and resid 53 and name HB )) (( segid " A" and resid 55 and name HN )) 3.171 1.257 1.257 peak 707 weight 1.00000E+00 volume 2.62001E+07 ppm1 7.872 ppm2 4.182 ASSI { 1108} ( segid " A" and resid 54 and name HD1#) (( segid " A" and resid 53 and name HB )) 2.824 0.997 0.997 peak 1108 weight 1.00000E+00 volume 1.10370E+06 ppm1 0.884 ppm2 4.235 ASSI { 3397} ( segid " A" and resid 54 and name HD1#) ( segid " A" and resid 53 and name HG2#) 1.924 0.463 0.463 peak 3397 weight 1.00000E+00 volume 1.10200E+07 ppm1 0.884 ppm2 1.214 ASSI { 3669} (( segid " A" and resid 54 and name HA )) ( segid " A" and resid 53 and name HG2#) 2.666 0.888 0.888 peak 3669 weight 1.00000E+00 volume 1.55900E+06 ppm1 3.800 ppm2 1.174 ASSI { 923} (( segid " A" and resid 54 and name HN )) ( segid " A" and resid 53 and name HG2#) 3.277 1.343 1.343 peak 923 weight 1.00000E+00 volume 2.14995E+07 ppm1 8.659 ppm2 1.183 ASSI { 2293} (( segid " A" and resid 54 and name HN )) (( segid " A" and resid 53 and name HN )) 3.172 1.258 1.258 peak 2293 weight 1.00000E+00 volume 2.61287E+07 ppm1 8.089 ppm2 8.650 ASSI { 1094} (( segid " A" and resid 54 and name HG11)) (( segid " A" and resid 54 and name HB )) 2.242 0.628 0.628 peak 1094 weight 1.00000E+00 volume 4.41086E+06 ppm1 1.976 ppm2 1.594 ASSI { 1103} ( segid " A" and resid 54 and name HD1#) (( segid " A" and resid 54 and name HB )) 2.214 0.613 0.613 peak 1103 weight 1.00000E+00 volume 4.75341E+06 ppm1 0.885 ppm2 1.988 ASSI { 1106} ( segid " A" and resid 54 and name HD1#) (( segid " A" and resid 54 and name HA )) 2.218 0.615 0.615 peak 1106 weight 1.00000E+00 volume 4.69687E+06 ppm1 0.883 ppm2 3.798 ASSI { 5} ( segid " A" and resid 54 and name HD1#) (( segid " A" and resid 54 and name HG11)) 1.807 0.408 0.408 peak 5 weight 1.00000E+00 volume 7.68709E+06 ppm1 0.883 ppm2 1.595 ASSI { 1115} (( segid " A" and resid 54 and name HG11)) (( segid " A" and resid 54 and name HG12)) 1.730 0.374 0.374 peak 1115 weight 1.00000E+00 volume 2.08898E+07 ppm1 1.603 ppm2 1.253 ASSI { 1120} ( segid " A" and resid 54 and name HD1#) (( segid " A" and resid 54 and name HG12)) 2.040 0.520 0.520 peak 1120 weight 1.00000E+00 volume 7.77313E+06 ppm1 1.226 ppm2 0.871 ASSI { 1125} (( segid " A" and resid 54 and name HG12)) (( segid " A" and resid 54 and name HB )) 2.466 0.760 0.760 peak 1125 weight 1.00000E+00 volume 2.48724E+06 ppm1 1.220 ppm2 1.966 ASSI { 1130} (( segid " A" and resid 54 and name HG11)) ( segid " A" and resid 54 and name HG2#) 2.166 0.586 0.586 peak 1130 weight 1.00000E+00 volume 5.42475E+06 ppm1 0.840 ppm2 1.598 ASSI { 1095} (( segid " A" and resid 54 and name HB )) ( segid " A" and resid 54 and name HG2#) 1.976 0.488 0.488 peak 1095 weight 1.00000E+00 volume 9.08813E+06 ppm1 1.980 ppm2 0.849 ASSI { 3648} (( segid " A" and resid 54 and name HB )) (( segid " A" and resid 54 and name HA )) 2.519 0.793 0.793 peak 3648 weight 1.00000E+00 volume 2.19000E+06 ppm1 1.977 ppm2 3.818 ASSI { 1126} (( segid " A" and resid 54 and name HG12)) (( segid " A" and resid 54 and name HA )) 2.436 0.742 0.742 peak 1126 weight 1.00000E+00 volume 1.64077E+06 ppm1 1.229 ppm2 3.801 ASSI { 700} (( segid " A" and resid 54 and name HB )) (( segid " A" and resid 54 and name HN )) 2.546 0.810 0.810 peak 700 weight 1.00000E+00 volume 4.30432E+07 ppm1 8.656 ppm2 1.958 ASSI { 701} (( segid " A" and resid 54 and name HN )) (( segid " A" and resid 54 and name HA )) 2.631 0.866 0.866 peak 701 weight 1.00000E+00 volume 2.55321E+07 ppm1 8.657 ppm2 3.781 ASSI { 919} ( segid " A" and resid 54 and name HG2#) (( segid " A" and resid 54 and name HN )) 2.741 0.939 0.939 peak 919 weight 1.00000E+00 volume 3.55357E+07 ppm1 8.663 ppm2 0.816 ASSI { 2162} (( segid " A" and resid 54 and name HG12)) (( segid " A" and resid 54 and name HN )) 2.841 1.009 1.009 peak 2162 weight 1.00000E+00 volume 5.06920E+07 ppm1 8.605 ppm2 1.493 OR { 2162} ( segid " A" and resid 109 and name HB# ) (( segid " A" and resid 126 and name HN )) ASSI { 2492} (( segid " A" and resid 54 and name HG12)) (( segid " A" and resid 54 and name HN )) 3.327 1.383 1.383 peak 2492 weight 1.00000E+00 volume 1.96600E+07 ppm1 8.658 ppm2 1.572 ASSI { 497} (( segid " A" and resid 54 and name HB )) (( segid " A" and resid 55 and name HN )) 2.493 0.777 0.777 peak 497 weight 1.00000E+00 volume 1.11001E+08 ppm1 7.872 ppm2 1.959 ASSI { 3653} ( segid " A" and resid 54 and name HG2#) (( segid " A" and resid 55 and name HA )) 2.445 0.747 0.747 peak 3653 weight 1.00000E+00 volume 2.62200E+06 ppm1 3.835 ppm2 0.843 ASSI { 4126} ( segid " A" and resid 54 and name HG2#) (( segid " A" and resid 55 and name HN )) 2.406 0.724 0.724 peak 4126 weight 1.00000E+00 volume 2.88600E+06 ppm1 0.837 ppm2 7.878 ASSI { 193} (( segid " A" and resid 54 and name HN )) (( segid " A" and resid 55 and name HN )) 3.066 1.175 1.175 peak 193 weight 1.00000E+00 volume 3.20652E+07 ppm1 7.874 ppm2 8.659 ASSI { 3663} (( segid " A" and resid 54 and name HA )) (( segid " A" and resid 57 and name HB1 )) 2.718 0.923 0.923 peak 3663 weight 1.00000E+00 volume 1.39000E+06 ppm1 2.044 ppm2 3.778 ASSI { 3050} (( segid " A" and resid 54 and name HG12)) ( segid " A" and resid 57 and name HD2#) 2.068 0.535 0.535 peak 3050 weight 1.00000E+00 volume 7.15651E+06 ppm1 0.832 ppm2 1.319 ASSI { 2502} (( segid " A" and resid 54 and name HA )) (( segid " A" and resid 57 and name HN )) 2.692 0.906 0.906 peak 2502 weight 1.00000E+00 volume 6.99200E+07 ppm1 8.147 ppm2 3.785 ASSI { 3646} (( segid " A" and resid 54 and name HA )) (( segid " A" and resid 58 and name HN )) 3.287 1.350 1.350 peak 3646 weight 1.00000E+00 volume 4.44000E+05 ppm1 3.808 ppm2 8.356 ASSI { 1577} (( segid " A" and resid 54 and name HG12)) (( segid " A" and resid 58 and name HN )) 3.207 1.285 1.285 peak 1577 weight 1.00000E+00 volume 2.44991E+07 ppm1 8.373 ppm2 1.204 OR { 1577} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 58 and name HN )) ASSI { 2506} (( segid " A" and resid 54 and name HG12)) (( segid " A" and resid 58 and name HN )) 3.731 1.740 1.740 peak 2506 weight 1.00000E+00 volume 9.87400E+06 ppm1 8.364 ppm2 1.627 ASSI { 1127} (( segid " A" and resid 54 and name HG12)) (( segid " A" and resid 63 and name HE22)) 2.959 1.094 1.094 peak 1127 weight 1.00000E+00 volume 8.34367E+05 ppm1 1.215 ppm2 7.264 ASSI { 3704} ( segid " A" and resid 54 and name HG2#) (( segid " A" and resid 66 and name HD1 )) 2.901 1.052 1.052 peak 3704 weight 1.00000E+00 volume 9.39800E+05 ppm1 3.209 ppm2 0.818 OR { 3704} ( segid " A" and resid 26 and name HD1#) (( segid " A" and resid 66 and name HD2 )) OR { 3704} ( segid " A" and resid 57 and name HD2#) ( segid " A" and resid 66 and name HD# ) ASSI { 1114} (( segid " A" and resid 54 and name HG11)) ( segid " A" and resid 67 and name HG2#) 2.114 0.558 0.558 peak 1114 weight 1.00000E+00 volume 6.28039E+06 ppm1 1.598 ppm2 1.031 ASSI { 3719} ( segid " A" and resid 54 and name HG2#) ( segid " A" and resid 67 and name HG2#) 1.865 0.435 0.435 peak 3719 weight 1.00000E+00 volume 1.32900E+07 ppm1 1.046 ppm2 0.837 ASSI { 1102} ( segid " A" and resid 54 and name HD1#) ( segid " A" and resid 129 and name HG1#) 1.653 0.342 0.342 peak 1102 weight 1.00000E+00 volume 2.74186E+07 ppm1 0.881 ppm2 0.759 ASSI { 1546} (( segid " A" and resid 55 and name HB )) (( segid " A" and resid 53 and name HN )) 3.433 1.474 1.474 peak 1546 weight 1.00000E+00 volume 1.62553E+07 ppm1 8.088 ppm2 4.051 ASSI { 1145} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 55 and name HB )) 1.902 0.452 0.452 peak 1145 weight 1.00000E+00 volume 7.81816E+06 ppm1 4.057 ppm2 1.197 ASSI { 710} (( segid " A" and resid 55 and name HN )) (( segid " A" and resid 55 and name HB )) 2.348 0.689 0.689 peak 710 weight 1.00000E+00 volume 1.58919E+08 ppm1 7.869 ppm2 4.028 ASSI { 1137} (( segid " A" and resid 55 and name HA )) ( segid " A" and resid 55 and name HG2#) 1.994 0.497 0.497 peak 1137 weight 1.00000E+00 volume 5.25807E+06 ppm1 3.835 ppm2 1.191 ASSI { 3655} (( segid " A" and resid 55 and name HA )) (( segid " A" and resid 55 and name HB )) 2.270 0.644 0.644 peak 3655 weight 1.00000E+00 volume 4.08900E+06 ppm1 3.835 ppm2 4.032 ASSI { 711} (( segid " A" and resid 55 and name HA )) (( segid " A" and resid 55 and name HN )) 2.355 0.693 0.693 peak 711 weight 1.00000E+00 volume 1.56013E+08 ppm1 7.870 ppm2 3.796 ASSI { 1141} (( segid " A" and resid 55 and name HA )) (( segid " A" and resid 56 and name HN )) 2.965 1.099 1.099 peak 1141 weight 1.00000E+00 volume 8.23210E+05 ppm1 3.834 ppm2 7.650 ASSI { 3661} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 56 and name HN )) 2.654 0.880 0.880 peak 3661 weight 1.00000E+00 volume 1.60300E+06 ppm1 1.186 ppm2 7.681 ASSI { 2493} (( segid " A" and resid 55 and name HN )) (( segid " A" and resid 57 and name HN )) 3.079 1.185 1.185 peak 2493 weight 1.00000E+00 volume 3.12900E+07 ppm1 7.871 ppm2 8.125 ASSI { 1135} (( segid " A" and resid 55 and name HA )) ( segid " A" and resid 58 and name HG1#) 2.219 0.615 0.615 peak 1135 weight 1.00000E+00 volume 4.69298E+06 ppm1 3.834 ppm2 0.952 ASSI { 3654} (( segid " A" and resid 55 and name HA )) (( segid " A" and resid 58 and name HB )) 2.735 0.935 0.935 peak 3654 weight 1.00000E+00 volume 1.33900E+06 ppm1 3.834 ppm2 2.240 ASSI { 2504} (( segid " A" and resid 55 and name HA )) (( segid " A" and resid 58 and name HN )) 2.559 0.819 0.819 peak 2504 weight 1.00000E+00 volume 9.48600E+07 ppm1 8.368 ppm2 3.811 ASSI { 2507} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 58 and name HN )) 3.207 1.285 1.285 peak 2507 weight 1.00000E+00 volume 2.45000E+07 ppm1 8.373 ppm2 1.204 ASSI { 3658} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 59 and name HG1 )) 2.599 0.844 0.844 peak 3658 weight 1.00000E+00 volume 1.81700E+06 ppm1 1.190 ppm2 2.625 ASSI { 2508} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 59 and name HN )) 3.210 1.288 1.288 peak 2508 weight 1.00000E+00 volume 2.43400E+07 ppm1 7.247 ppm2 1.172 ASSI { 2519} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 59 and name HE22)) 2.585 0.835 0.835 peak 2519 weight 1.00000E+00 volume 8.92300E+07 ppm1 7.380 ppm2 1.168 ASSI { 2520} ( segid " A" and resid 55 and name HG2#) (( segid " A" and resid 59 and name HE21)) 2.661 0.885 0.885 peak 2520 weight 1.00000E+00 volume 7.49600E+07 ppm1 6.819 ppm2 1.170 ASSI { 3657} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 55 and name HB )) 2.423 0.734 0.734 peak 3657 weight 1.00000E+00 volume 2.76800E+06 ppm1 4.054 ppm2 7.702 ASSI { 189} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 55 and name HN )) 2.380 0.708 0.708 peak 189 weight 1.00000E+00 volume 1.03958E+08 ppm1 7.871 ppm2 7.681 ASSI { 1164} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 56 and name HB2 )) 2.467 0.761 0.761 peak 1164 weight 1.00000E+00 volume 2.48550E+06 ppm1 4.001 ppm2 7.689 ASSI { 996} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 56 and name HB1 )) 1.946 0.473 0.473 peak 996 weight 1.00000E+00 volume 4.90425E+08 ppm1 7.681 ppm2 3.945 ASSI { 1160} (( segid " A" and resid 56 and name HA )) (( segid " A" and resid 56 and name HB2 )) 1.971 0.486 0.486 peak 1160 weight 1.00000E+00 volume 9.54676E+06 ppm1 4.207 ppm2 3.987 ASSI { 705} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 56 and name HA )) 2.233 0.623 0.623 peak 705 weight 1.00000E+00 volume 2.15135E+08 ppm1 7.681 ppm2 4.183 ASSI { 192} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 57 and name HN )) 2.359 0.696 0.696 peak 192 weight 1.00000E+00 volume 1.54418E+08 ppm1 7.681 ppm2 8.140 ASSI { 499} (( segid " A" and resid 56 and name HA )) (( segid " A" and resid 57 and name HN )) 2.505 0.784 0.784 peak 499 weight 1.00000E+00 volume 1.07777E+08 ppm1 8.146 ppm2 4.187 ASSI { 714} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 57 and name HB1 )) 2.939 1.080 1.080 peak 714 weight 1.00000E+00 volume 4.12936E+07 ppm1 7.681 ppm2 2.045 ASSI { 997} (( segid " A" and resid 56 and name HB1 )) (( segid " A" and resid 57 and name HN )) 2.522 0.795 0.795 peak 997 weight 1.00000E+00 volume 1.03528E+08 ppm1 8.149 ppm2 3.945 ASSI { 2499} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 58 and name HN )) 3.307 1.367 1.367 peak 2499 weight 1.00000E+00 volume 2.03800E+07 ppm1 7.682 ppm2 8.372 ASSI { 3662} (( segid " A" and resid 56 and name HA )) (( segid " A" and resid 59 and name HB1 )) 2.493 0.777 0.777 peak 3662 weight 1.00000E+00 volume 2.33100E+06 ppm1 4.207 ppm2 2.078 ASSI { 1561} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 59 and name HG1 )) 3.280 1.345 1.345 peak 1561 weight 1.00000E+00 volume 2.13822E+07 ppm1 7.680 ppm2 2.611 ASSI { 2498} (( segid " A" and resid 56 and name HN )) (( segid " A" and resid 59 and name HN )) 3.319 1.377 1.377 peak 2498 weight 1.00000E+00 volume 1.99400E+07 ppm1 7.682 ppm2 7.248 ASSI { 1191} ( segid " A" and resid 57 and name HD2#) ( segid " A" and resid 53 and name HG2#) 1.918 0.460 0.460 peak 1191 weight 1.00000E+00 volume 1.12483E+07 ppm1 0.791 ppm2 1.206 ASSI { 1188} ( segid " A" and resid 57 and name HD2#) (( segid " A" and resid 54 and name HA )) 2.194 0.602 0.602 peak 1188 weight 1.00000E+00 volume 5.02012E+06 ppm1 0.787 ppm2 3.804 ASSI { 1120} ( segid " A" and resid 57 and name HD1#) (( segid " A" and resid 56 and name HN )) 2.757 0.950 0.950 peak 1120 weight 1.00000E+00 volume 6.07216E+07 ppm1 7.682 ppm2 0.802 ASSI { 1172} (( segid " A" and resid 57 and name HG )) (( segid " A" and resid 57 and name HA )) 1.968 0.484 0.484 peak 1172 weight 1.00000E+00 volume 9.62664E+06 ppm1 4.164 ppm2 1.934 ASSI { 1173} (( segid " A" and resid 57 and name HA )) (( segid " A" and resid 57 and name HB1 )) 2.207 0.609 0.609 peak 1173 weight 1.00000E+00 volume 4.84641E+06 ppm1 4.163 ppm2 2.058 ASSI { 1174} (( segid " A" and resid 57 and name HA )) (( segid " A" and resid 57 and name HB2 )) 2.381 0.708 0.708 peak 1174 weight 1.00000E+00 volume 3.07574E+06 ppm1 4.161 ppm2 1.363 ASSI { 1178} (( segid " A" and resid 57 and name HB1 )) (( segid " A" and resid 57 and name HB2 )) 2.282 0.651 0.651 peak 1178 weight 1.00000E+00 volume 3.04585E+06 ppm1 2.050 ppm2 1.351 ASSI { 1180} ( segid " A" and resid 57 and name HD2#) (( segid " A" and resid 57 and name HB1 )) 2.203 0.607 0.607 peak 1180 weight 1.00000E+00 volume 4.89175E+06 ppm1 2.046 ppm2 0.818 ASSI { 1181} ( segid " A" and resid 57 and name HD2#) (( segid " A" and resid 57 and name HB2 )) 2.140 0.573 0.573 peak 1181 weight 1.00000E+00 volume 5.82494E+06 ppm1 1.359 ppm2 0.806 ASSI { 1196} ( segid " A" and resid 57 and name HD1#) (( segid " A" and resid 57 and name HB1 )) 2.008 0.504 0.504 peak 1196 weight 1.00000E+00 volume 8.53766E+06 ppm1 0.794 ppm2 2.058 ASSI { 1197} (( segid " A" and resid 57 and name HG )) ( segid " A" and resid 57 and name HD1#) 1.891 0.447 0.447 peak 1197 weight 1.00000E+00 volume 1.22417E+07 ppm1 0.793 ppm2 1.943 ASSI { 1189} (( segid " A" and resid 57 and name HG )) ( segid " A" and resid 57 and name HD2#) 1.921 0.461 0.461 peak 1189 weight 1.00000E+00 volume 1.11459E+07 ppm1 0.789 ppm2 1.955 ASSI { 1065} (( segid " A" and resid 57 and name HG )) ( segid " A" and resid 57 and name HD# ) 1.935 0.468 0.468 peak 1065 weight 1.00000E+00 volume 1.06677E+07 ppm1 1.937 ppm2 0.817 ASSI { 1194} ( segid " A" and resid 57 and name HD1#) (( segid " A" and resid 57 and name HA )) 1.941 0.471 0.471 peak 1194 weight 1.00000E+00 volume 1.04662E+07 ppm1 0.794 ppm2 4.147 ASSI { 712} (( segid " A" and resid 57 and name HA )) (( segid " A" and resid 57 and name HN )) 2.505 0.784 0.784 peak 712 weight 1.00000E+00 volume 1.07777E+08 ppm1 8.149 ppm2 4.145 ASSI { 713} (( segid " A" and resid 57 and name HB1 )) (( segid " A" and resid 57 and name HN )) 2.425 0.735 0.735 peak 713 weight 1.00000E+00 volume 1.30947E+08 ppm1 8.147 ppm2 2.035 ASSI { 1117} ( segid " A" and resid 57 and name HD1#) (( segid " A" and resid 57 and name HN )) 2.389 0.713 0.713 peak 1117 weight 1.00000E+00 volume 1.43246E+08 ppm1 8.148 ppm2 0.779 ASSI { 1565} (( segid " A" and resid 57 and name HB2 )) (( segid " A" and resid 57 and name HN )) 2.644 0.874 0.874 peak 1565 weight 1.00000E+00 volume 7.79220E+07 ppm1 8.146 ppm2 1.341 ASSI { 62} (( segid " A" and resid 57 and name HN )) (( segid " A" and resid 58 and name HN )) 2.579 0.831 0.831 peak 62 weight 1.00000E+00 volume 9.05888E+07 ppm1 8.368 ppm2 8.148 ASSI { 500} (( segid " A" and resid 57 and name HA )) (( segid " A" and resid 58 and name HN )) 2.801 0.980 0.980 peak 500 weight 1.00000E+00 volume 5.52113E+07 ppm1 8.369 ppm2 4.145 ASSI { 501} (( segid " A" and resid 57 and name HB1 )) (( segid " A" and resid 58 and name HN )) 2.537 0.805 0.805 peak 501 weight 1.00000E+00 volume 9.99165E+07 ppm1 8.368 ppm2 2.042 ASSI { 1181} (( segid " A" and resid 57 and name HB2 )) (( segid " A" and resid 58 and name HN )) 2.792 0.975 0.975 peak 1181 weight 1.00000E+00 volume 5.61952E+07 ppm1 8.367 ppm2 1.340 ASSI { 718} (( segid " A" and resid 57 and name HN )) (( segid " A" and resid 59 and name HN )) 3.263 1.331 1.331 peak 718 weight 1.00000E+00 volume 2.20693E+07 ppm1 8.144 ppm2 7.236 ASSI { 2509} (( segid " A" and resid 57 and name HB2 )) (( segid " A" and resid 59 and name HN )) 3.680 1.693 1.693 peak 2509 weight 1.00000E+00 volume 1.07200E+07 ppm1 7.251 ppm2 1.345 OR { 2509} ( segid " A" and resid 45 and name HB# ) (( segid " A" and resid 48 and name HN )) ASSI { 1992} ( segid " A" and resid 57 and name HD# ) (( segid " A" and resid 108 and name HD22)) 3.495 1.527 1.527 peak 1992 weight 1.00000E+00 volume 1.46144E+07 ppm1 7.155 ppm2 0.776 ASSI { 2496} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 55 and name HN )) 3.137 1.230 1.230 peak 2496 weight 1.00000E+00 volume 2.79400E+07 ppm1 7.871 ppm2 0.944 ASSI { 2497} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 56 and name HN )) 3.011 1.133 1.133 peak 2497 weight 1.00000E+00 volume 3.57300E+07 ppm1 7.681 ppm2 0.936 ASSI { 1221} (( segid " A" and resid 58 and name HA )) (( segid " A" and resid 58 and name HB )) 2.191 0.600 0.600 peak 1221 weight 1.00000E+00 volume 5.06555E+06 ppm1 3.724 ppm2 2.241 ASSI { 1223} ( segid " A" and resid 58 and name HG2#) (( segid " A" and resid 58 and name HA )) 1.940 0.470 0.470 peak 1223 weight 1.00000E+00 volume 6.81125E+06 ppm1 3.725 ppm2 0.896 ASSI { 1230} ( segid " A" and resid 58 and name HG2#) (( segid " A" and resid 58 and name HB )) 2.063 0.532 0.532 peak 1230 weight 1.00000E+00 volume 7.25250E+06 ppm1 0.901 ppm2 2.219 ASSI { 1225} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 58 and name HB )) 1.793 0.402 0.402 peak 1225 weight 1.00000E+00 volume 1.30905E+07 ppm1 2.220 ppm2 0.943 ASSI { 925} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 58 and name HN )) 2.041 0.521 0.521 peak 925 weight 1.00000E+00 volume 3.39563E+08 ppm1 8.366 ppm2 0.964 ASSI { 716} (( segid " A" and resid 58 and name HA )) (( segid " A" and resid 58 and name HN )) 2.460 0.756 0.756 peak 716 weight 1.00000E+00 volume 1.20227E+08 ppm1 8.368 ppm2 3.709 ASSI { 717} (( segid " A" and resid 58 and name HB )) (( segid " A" and resid 58 and name HN )) 2.303 0.663 0.663 peak 717 weight 1.00000E+00 volume 1.78653E+08 ppm1 8.367 ppm2 2.205 ASSI { 1239} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 59 and name HG2 )) 2.483 0.771 0.771 peak 1239 weight 1.00000E+00 volume 2.38945E+06 ppm1 0.974 ppm2 2.413 ASSI { 1265} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 59 and name HA )) 2.293 0.657 0.657 peak 1265 weight 1.00000E+00 volume 3.84922E+06 ppm1 4.255 ppm2 0.896 ASSI { 1248} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 59 and name HN )) 2.094 0.548 0.548 peak 1248 weight 1.00000E+00 volume 6.64116E+06 ppm1 0.973 ppm2 7.278 ASSI { 60} (( segid " A" and resid 58 and name HN )) (( segid " A" and resid 59 and name HN )) 2.375 0.705 0.705 peak 60 weight 1.00000E+00 volume 1.48346E+08 ppm1 7.245 ppm2 8.365 ASSI { 503} (( segid " A" and resid 58 and name HA )) (( segid " A" and resid 59 and name HN )) 2.596 0.842 0.842 peak 503 weight 1.00000E+00 volume 8.71193E+07 ppm1 7.245 ppm2 3.706 ASSI { 2505} (( segid " A" and resid 58 and name HN )) (( segid " A" and resid 59 and name HG1 )) 3.386 1.433 1.433 peak 2505 weight 1.00000E+00 volume 1.76900E+07 ppm1 8.364 ppm2 2.608 ASSI { 2521} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 59 and name HE21)) 3.105 1.205 1.205 peak 2521 weight 1.00000E+00 volume 2.35100E+07 ppm1 6.818 ppm2 0.905 ASSI { 2522} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 59 and name HE22)) 2.980 1.110 1.110 peak 2522 weight 1.00000E+00 volume 3.80100E+07 ppm1 7.378 ppm2 0.912 ASSI { 1607} (( segid " A" and resid 58 and name HN )) (( segid " A" and resid 60 and name HN )) 3.122 1.218 1.218 peak 1607 weight 1.00000E+00 volume 1.93626E+07 ppm1 7.815 ppm2 8.361 ASSI { 4248} ( segid " A" and resid 58 and name HG2#) (( segid " A" and resid 64 and name HB1 )) 1.718 0.369 0.369 peak 4248 weight 1.00000E+00 volume 2.17599E+07 ppm1 0.897 ppm2 1.632 ASSI { 2533} (( segid " A" and resid 58 and name HA )) (( segid " A" and resid 64 and name HN )) 3.269 1.336 1.336 peak 2533 weight 1.00000E+00 volume 2.18400E+07 ppm1 7.895 ppm2 3.700 ASSI { 2514} (( segid " A" and resid 59 and name HE22)) (( segid " A" and resid 56 and name HA )) 2.971 1.103 1.103 peak 2514 weight 1.00000E+00 volume 3.87600E+07 ppm1 7.379 ppm2 4.202 ASSI { 1262} (( segid " A" and resid 59 and name HA )) (( segid " A" and resid 59 and name HB2 )) 1.941 0.471 0.471 peak 1262 weight 1.00000E+00 volume 1.04809E+07 ppm1 4.257 ppm2 2.286 ASSI { 1271} (( segid " A" and resid 59 and name HB2 )) (( segid " A" and resid 59 and name HB1 )) 1.770 0.392 0.392 peak 1271 weight 1.00000E+00 volume 1.03181E+07 ppm1 2.313 ppm2 2.091 ASSI { 1274} (( segid " A" and resid 59 and name HG1 )) (( segid " A" and resid 59 and name HB1 )) 2.321 0.673 0.673 peak 1274 weight 1.00000E+00 volume 3.58014E+06 ppm1 2.089 ppm2 2.625 ASSI { 1279} (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 59 and name HB2 )) 2.689 0.904 0.904 peak 1279 weight 1.00000E+00 volume 1.48162E+06 ppm1 2.313 ppm2 7.272 ASSI { 720} (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 59 and name HB1 )) 2.174 0.591 0.591 peak 720 weight 1.00000E+00 volume 2.52080E+08 ppm1 7.245 ppm2 2.068 ASSI { 1283} (( segid " A" and resid 59 and name HG2 )) (( segid " A" and resid 59 and name HG1 )) 1.798 0.404 0.404 peak 1283 weight 1.00000E+00 volume 1.48072E+07 ppm1 2.436 ppm2 2.610 ASSI { 1288} (( segid " A" and resid 59 and name HG2 )) (( segid " A" and resid 59 and name HB1 )) 2.261 0.639 0.639 peak 1288 weight 1.00000E+00 volume 4.18675E+06 ppm1 2.434 ppm2 2.089 ASSI { 1275} (( segid " A" and resid 59 and name HG1 )) (( segid " A" and resid 59 and name HB2 )) 2.065 0.533 0.533 peak 1275 weight 1.00000E+00 volume 2.72279E+06 ppm1 2.313 ppm2 2.628 ASSI { 1292} (( segid " A" and resid 59 and name HG2 )) (( segid " A" and resid 59 and name HA )) 2.256 0.636 0.636 peak 1292 weight 1.00000E+00 volume 4.24910E+06 ppm1 2.434 ppm2 4.246 ASSI { 929} (( segid " A" and resid 59 and name HG1 )) (( segid " A" and resid 59 and name HN )) 2.303 0.663 0.663 peak 929 weight 1.00000E+00 volume 1.78399E+08 ppm1 7.245 ppm2 2.604 ASSI { 719} (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 59 and name HA )) 2.214 0.613 0.613 peak 719 weight 1.00000E+00 volume 2.25906E+08 ppm1 7.245 ppm2 4.217 ASSI { 930} (( segid " A" and resid 59 and name HG2 )) (( segid " A" and resid 59 and name HN )) 2.488 0.774 0.774 peak 930 weight 1.00000E+00 volume 1.12256E+08 ppm1 7.246 ppm2 2.425 ASSI { 1591} (( segid " A" and resid 59 and name HE22)) (( segid " A" and resid 59 and name HE21)) 1.718 0.369 0.369 peak 1591 weight 1.00000E+00 volume 1.03532E+09 ppm1 7.379 ppm2 6.811 ASSI { 1596} (( segid " A" and resid 59 and name HE22)) (( segid " A" and resid 59 and name HG1 )) 2.586 0.836 0.836 peak 1596 weight 1.00000E+00 volume 8.90006E+07 ppm1 7.379 ppm2 2.602 ASSI { 1597} (( segid " A" and resid 59 and name HE21)) (( segid " A" and resid 59 and name HG1 )) 2.795 0.976 0.976 peak 1597 weight 1.00000E+00 volume 5.58878E+07 ppm1 6.819 ppm2 2.603 ASSI { 1598} (( segid " A" and resid 59 and name HE22)) (( segid " A" and resid 59 and name HG2 )) 2.658 0.883 0.883 peak 1598 weight 1.00000E+00 volume 7.54949E+07 ppm1 7.380 ppm2 2.419 ASSI { 1599} (( segid " A" and resid 59 and name HE21)) (( segid " A" and resid 59 and name HG2 )) 2.869 1.029 1.029 peak 1599 weight 1.00000E+00 volume 4.77849E+07 ppm1 6.819 ppm2 2.425 ASSI { 2515} (( segid " A" and resid 59 and name HE21)) (( segid " A" and resid 59 and name HA )) 3.419 1.461 1.461 peak 2515 weight 1.00000E+00 volume 1.66900E+07 ppm1 6.820 ppm2 4.200 ASSI { 1600} (( segid " A" and resid 59 and name HE22)) (( segid " A" and resid 59 and name HB2 )) 3.176 1.261 1.261 peak 1600 weight 1.00000E+00 volume 2.59746E+07 ppm1 7.377 ppm2 2.272 ASSI { 2518} (( segid " A" and resid 59 and name HE21)) (( segid " A" and resid 59 and name HB2 )) 3.432 1.472 1.472 peak 2518 weight 1.00000E+00 volume 1.63100E+07 ppm1 6.820 ppm2 2.063 ASSI { 57} (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 60 and name HN )) 2.232 0.623 0.623 peak 57 weight 1.00000E+00 volume 1.54710E+08 ppm1 7.814 ppm2 7.242 ASSI { 504} (( segid " A" and resid 59 and name HB2 )) (( segid " A" and resid 60 and name HN )) 2.860 1.022 1.022 peak 504 weight 1.00000E+00 volume 4.87067E+07 ppm1 7.812 ppm2 2.282 ASSI { 505} (( segid " A" and resid 59 and name HB1 )) (( segid " A" and resid 60 and name HN )) 2.670 0.891 0.891 peak 505 weight 1.00000E+00 volume 7.34507E+07 ppm1 7.814 ppm2 2.070 ASSI { 506} (( segid " A" and resid 59 and name HA )) (( segid " A" and resid 60 and name HN )) 2.513 0.790 0.790 peak 506 weight 1.00000E+00 volume 1.05701E+08 ppm1 7.814 ppm2 4.209 ASSI { 927} (( segid " A" and resid 59 and name HG2 )) (( segid " A" and resid 60 and name HN )) 3.205 1.284 1.284 peak 927 weight 1.00000E+00 volume 2.45787E+07 ppm1 7.813 ppm2 2.429 ASSI { 2323} (( segid " A" and resid 59 and name HB1 )) (( segid " A" and resid 60 and name HD21)) 2.687 0.903 0.903 peak 2323 weight 1.00000E+00 volume 7.07187E+07 ppm1 7.766 ppm2 2.079 ASSI { 1134} (( segid " A" and resid 60 and name HA )) (( segid " A" and resid 59 and name HN )) 3.438 1.477 1.477 peak 1134 weight 1.00000E+00 volume 1.61424E+07 ppm1 7.245 ppm2 5.052 ASSI { 927} (( segid " A" and resid 60 and name HB1 )) (( segid " A" and resid 60 and name HA )) 2.405 0.723 0.723 peak 927 weight 1.00000E+00 volume 2.89191E+06 ppm1 2.625 ppm2 5.053 ASSI { 928} (( segid " A" and resid 60 and name HB2 )) (( segid " A" and resid 60 and name HA )) 2.508 0.786 0.786 peak 928 weight 1.00000E+00 volume 2.16201E+06 ppm1 3.155 ppm2 5.070 ASSI { 946} (( segid " A" and resid 60 and name HB1 )) (( segid " A" and resid 60 and name HB2 )) 1.926 0.464 0.464 peak 946 weight 1.00000E+00 volume 1.05306E+07 ppm1 2.626 ppm2 3.148 ASSI { 1309} (( segid " A" and resid 60 and name HB2 )) (( segid " A" and resid 60 and name HN )) 2.334 0.681 0.681 peak 1309 weight 1.00000E+00 volume 3.46042E+06 ppm1 3.148 ppm2 7.807 ASSI { 928} (( segid " A" and resid 60 and name HB1 )) (( segid " A" and resid 60 and name HN )) 2.436 0.742 0.742 peak 928 weight 1.00000E+00 volume 1.24417E+08 ppm1 7.813 ppm2 2.605 ASSI { 1132} (( segid " A" and resid 60 and name HA )) (( segid " A" and resid 60 and name HN )) 2.559 0.819 0.819 peak 1132 weight 1.00000E+00 volume 9.47955E+07 ppm1 7.814 ppm2 5.051 ASSI { 1157} (( segid " A" and resid 60 and name HB1 )) (( segid " A" and resid 60 and name HD21)) 2.578 0.831 0.831 peak 1157 weight 1.00000E+00 volume 9.07876E+07 ppm1 7.766 ppm2 2.605 ASSI { 2865} (( segid " A" and resid 60 and name HB2 )) (( segid " A" and resid 60 and name HD21)) 2.654 0.880 0.880 peak 2865 weight 1.00000E+00 volume 7.62754E+07 ppm1 7.766 ppm2 3.131 ASSI { 2868} (( segid " A" and resid 60 and name HB2 )) (( segid " A" and resid 60 and name HD22)) 2.716 0.922 0.922 peak 2868 weight 1.00000E+00 volume 6.63961E+07 ppm1 6.845 ppm2 3.133 ASSI { 2870} (( segid " A" and resid 60 and name HD22)) (( segid " A" and resid 60 and name HD21)) 1.889 0.446 0.446 peak 2870 weight 1.00000E+00 volume 5.61613E+08 ppm1 7.766 ppm2 6.845 ASSI { 4167} (( segid " A" and resid 61 and name HB1 )) (( segid " A" and resid 61 and name HA )) 2.616 0.855 0.855 peak 4167 weight 1.00000E+00 volume 1.74654E+06 ppm1 2.427 ppm2 4.218 ASSI { 4170} (( segid " A" and resid 61 and name HB1 )) (( segid " A" and resid 61 and name HB2 )) 2.310 0.667 0.667 peak 4170 weight 1.00000E+00 volume 3.68374E+06 ppm1 2.432 ppm2 2.116 ASSI { 4171} (( segid " A" and resid 61 and name HB1 )) (( segid " A" and resid 61 and name HG2 )) 2.502 0.783 0.783 peak 4171 weight 1.00000E+00 volume 2.27941E+06 ppm1 2.430 ppm2 1.925 ASSI { 4208} (( segid " A" and resid 61 and name HB2 )) (( segid " A" and resid 61 and name HA )) 2.479 0.768 0.768 peak 4208 weight 1.00000E+00 volume 2.41014E+06 ppm1 4.246 ppm2 2.111 ASSI { 4214} (( segid " A" and resid 61 and name HA )) (( segid " A" and resid 61 and name HG1 )) 2.527 0.798 0.798 peak 4214 weight 1.00000E+00 volume 2.14767E+06 ppm1 4.241 ppm2 1.930 ASSI { 1672} (( segid " A" and resid 62 and name HB2 )) (( segid " A" and resid 26 and name HN )) 3.517 1.547 1.547 peak 1672 weight 1.00000E+00 volume 1.40653E+07 ppm1 8.382 ppm2 2.482 ASSI { 4168} (( segid " A" and resid 62 and name HD1 )) (( segid " A" and resid 61 and name HB1 )) 2.580 0.832 0.832 peak 4168 weight 1.00000E+00 volume 1.89714E+06 ppm1 2.431 ppm2 3.711 ASSI { 4274} (( segid " A" and resid 62 and name HD2 )) (( segid " A" and resid 61 and name HB1 )) 2.378 0.707 0.707 peak 4274 weight 1.00000E+00 volume 3.09220E+06 ppm1 3.760 ppm2 2.419 ASSI { 1312} (( segid " A" and resid 62 and name HB2 )) (( segid " A" and resid 62 and name HA )) 2.050 0.525 0.525 peak 1312 weight 1.00000E+00 volume 5.39147E+06 ppm1 4.407 ppm2 2.391 ASSI { 1316} (( segid " A" and resid 62 and name HB2 )) (( segid " A" and resid 62 and name HB1 )) 1.857 0.431 0.431 peak 1316 weight 1.00000E+00 volume 1.36459E+07 ppm1 2.415 ppm2 1.850 ASSI { 1314} (( segid " A" and resid 62 and name HB1 )) (( segid " A" and resid 62 and name HA )) 2.253 0.635 0.635 peak 1314 weight 1.00000E+00 volume 1.87906E+06 ppm1 4.413 ppm2 1.890 ASSI { 1324} (( segid " A" and resid 62 and name HA )) (( segid " A" and resid 62 and name HG2 )) 2.821 0.995 0.995 peak 1324 weight 1.00000E+00 volume 1.11095E+06 ppm1 2.174 ppm2 4.405 ASSI { 1325} (( segid " A" and resid 62 and name HA )) (( segid " A" and resid 62 and name HG1 )) 2.495 0.778 0.778 peak 1325 weight 1.00000E+00 volume 2.31963E+06 ppm1 2.017 ppm2 4.402 ASSI { 1326} (( segid " A" and resid 62 and name HG2 )) (( segid " A" and resid 62 and name HD1 )) 2.241 0.628 0.628 peak 1326 weight 1.00000E+00 volume 4.42320E+06 ppm1 2.173 ppm2 3.734 ASSI { 1327} (( segid " A" and resid 62 and name HG1 )) (( segid " A" and resid 62 and name HD1 )) 2.197 0.603 0.603 peak 1327 weight 1.00000E+00 volume 4.98162E+06 ppm1 2.020 ppm2 3.733 ASSI { 1328} (( segid " A" and resid 62 and name HB2 )) (( segid " A" and resid 62 and name HG2 )) 2.182 0.595 0.595 peak 1328 weight 1.00000E+00 volume 5.19385E+06 ppm1 2.169 ppm2 2.400 ASSI { 1329} (( segid " A" and resid 62 and name HB2 )) (( segid " A" and resid 62 and name HG1 )) 2.164 0.585 0.585 peak 1329 weight 1.00000E+00 volume 5.44982E+06 ppm1 2.026 ppm2 2.402 ASSI { 1332} (( segid " A" and resid 62 and name HG2 )) (( segid " A" and resid 62 and name HG1 )) 1.704 0.363 0.363 peak 1332 weight 1.00000E+00 volume 1.61938E+07 ppm1 2.171 ppm2 2.028 ASSI { 1334} (( segid " A" and resid 62 and name HB1 )) (( segid " A" and resid 62 and name HG2 )) 2.031 0.516 0.516 peak 1334 weight 1.00000E+00 volume 7.97733E+06 ppm1 2.167 ppm2 1.877 ASSI { 4273} (( segid " A" and resid 62 and name HG1 )) (( segid " A" and resid 62 and name HD1 )) 2.079 0.540 0.540 peak 4273 weight 1.00000E+00 volume 6.93320E+06 ppm1 3.754 ppm2 2.016 OR { 4273} (( segid " A" and resid 33 and name HG1 )) ( segid " A" and resid 33 and name HD# ) ASSI { 507} (( segid " A" and resid 62 and name HA )) (( segid " A" and resid 63 and name HN )) 2.806 0.984 0.984 peak 507 weight 1.00000E+00 volume 5.45632E+07 ppm1 7.554 ppm2 4.398 ASSI { 509} (( segid " A" and resid 62 and name HB1 )) (( segid " A" and resid 63 and name HN )) 2.465 0.760 0.760 peak 509 weight 1.00000E+00 volume 1.18643E+08 ppm1 7.554 ppm2 1.877 ASSI { 4265} (( segid " A" and resid 62 and name HB1 )) (( segid " A" and resid 92 and name HB1 )) 1.730 0.374 0.374 peak 4265 weight 1.00000E+00 volume 2.08898E+07 ppm1 1.899 ppm2 2.225 ASSI { 1619} (( segid " A" and resid 63 and name HE22)) ( segid " A" and resid 57 and name HD2#) 2.875 1.033 1.033 peak 1619 weight 1.00000E+00 volume 4.71516E+07 ppm1 7.280 ppm2 0.777 ASSI { 1620} (( segid " A" and resid 63 and name HE21)) ( segid " A" and resid 57 and name HD2#) 3.010 1.132 1.132 peak 1620 weight 1.00000E+00 volume 3.58298E+07 ppm1 6.819 ppm2 0.781 ASSI { 1626} (( segid " A" and resid 63 and name HE22)) (( segid " A" and resid 57 and name HG )) 3.246 1.317 1.317 peak 1626 weight 1.00000E+00 volume 2.27776E+07 ppm1 7.283 ppm2 1.921 ASSI { 1627} (( segid " A" and resid 63 and name HE21)) (( segid " A" and resid 57 and name HG )) 3.396 1.442 1.442 peak 1627 weight 1.00000E+00 volume 1.73599E+07 ppm1 6.818 ppm2 1.924 ASSI { 1621} (( segid " A" and resid 63 and name HE21)) ( segid " A" and resid 58 and name HG2#) 3.105 1.205 1.205 peak 1621 weight 1.00000E+00 volume 2.97490E+07 ppm1 6.820 ppm2 0.895 OR { 1621} ( segid " A" and resid 54 and name HD1#) (( segid " A" and resid 63 and name HE21)) ASSI { 765} ( segid " A" and resid 63 and name HG# ) (( segid " A" and resid 63 and name HA )) 2.337 0.683 0.683 peak 765 weight 1.00000E+00 volume 3.43551E+06 ppm1 2.368 ppm2 4.218 ASSI { 724} (( segid " A" and resid 63 and name HA )) (( segid " A" and resid 63 and name HN )) 2.205 0.608 0.608 peak 724 weight 1.00000E+00 volume 1.31297E+08 ppm1 7.553 ppm2 4.202 ASSI { 1629} (( segid " A" and resid 63 and name HE21)) ( segid " A" and resid 63 and name HB# ) 2.663 0.887 0.887 peak 1629 weight 1.00000E+00 volume 2.42601E+07 ppm1 6.820 ppm2 2.079 ASSI { 1337} (( segid " A" and resid 63 and name HA )) ( segid " A" and resid 63 and name HB# ) 2.031 0.516 0.516 peak 1337 weight 1.00000E+00 volume 7.63090E+06 ppm1 4.217 ppm2 2.095 ASSI { 725} ( segid " A" and resid 63 and name HB# ) (( segid " A" and resid 63 and name HN )) 2.102 0.552 0.552 peak 725 weight 1.00000E+00 volume 3.09193E+08 ppm1 7.553 ppm2 2.082 ASSI { 1616} (( segid " A" and resid 63 and name HE21)) (( segid " A" and resid 63 and name HE22)) 1.881 0.442 0.442 peak 1616 weight 1.00000E+00 volume 5.90405E+08 ppm1 7.279 ppm2 6.814 ASSI { 1628} (( segid " A" and resid 63 and name HE22)) ( segid " A" and resid 63 and name HB# ) 3.021 1.141 1.141 peak 1628 weight 1.00000E+00 volume 3.50696E+07 ppm1 7.279 ppm2 2.060 OR { 1628} (( segid " A" and resid 63 and name HE22)) (( segid " A" and resid 57 and name HB1 )) ASSI { 1631} (( segid " A" and resid 63 and name HG2 )) (( segid " A" and resid 63 and name HE21)) 2.462 0.758 0.758 peak 1631 weight 1.00000E+00 volume 8.70810E+07 ppm1 6.819 ppm2 2.347 ASSI { 1632} ( segid " A" and resid 63 and name HG# ) (( segid " A" and resid 63 and name HE22)) 2.334 0.681 0.681 peak 1632 weight 1.00000E+00 volume 1.64820E+08 ppm1 7.279 ppm2 2.349 ASSI { 1636} (( segid " A" and resid 63 and name HA )) (( segid " A" and resid 63 and name HE21)) 3.316 1.375 1.375 peak 1636 weight 1.00000E+00 volume 2.00354E+07 ppm1 6.818 ppm2 4.217 ASSI { 2530} (( segid " A" and resid 63 and name HE22)) ( segid " A" and resid 63 and name HB# ) 3.021 1.141 1.141 peak 2530 weight 1.00000E+00 volume 3.50700E+07 ppm1 7.279 ppm2 2.060 ASSI { 3678} (( segid " A" and resid 63 and name HB1 )) (( segid " A" and resid 64 and name HN )) 2.553 0.815 0.815 peak 3678 weight 1.00000E+00 volume 2.02200E+06 ppm1 2.096 ppm2 7.911 ASSI { 66} (( segid " A" and resid 63 and name HN )) (( segid " A" and resid 64 and name HN )) 2.328 0.677 0.677 peak 66 weight 1.00000E+00 volume 1.67350E+08 ppm1 7.553 ppm2 7.893 ASSI { 510} (( segid " A" and resid 63 and name HA )) (( segid " A" and resid 64 and name HN )) 2.588 0.837 0.837 peak 510 weight 1.00000E+00 volume 8.87214E+07 ppm1 7.898 ppm2 4.202 ASSI { 3701} (( segid " A" and resid 63 and name HA )) (( segid " A" and resid 66 and name HD2 )) 2.725 0.928 0.928 peak 3701 weight 1.00000E+00 volume 1.36800E+06 ppm1 3.216 ppm2 4.200 ASSI { 1432} (( segid " A" and resid 63 and name HG2 )) (( segid " A" and resid 66 and name HD2 )) 2.791 0.974 0.974 peak 1432 weight 1.00000E+00 volume 1.18496E+06 ppm1 3.216 ppm2 2.365 ASSI { 2532} (( segid " A" and resid 63 and name HE21)) ( segid " A" and resid 66 and name HD# ) 3.466 1.502 1.502 peak 2532 weight 1.00000E+00 volume 1.53600E+07 ppm1 6.820 ppm2 3.179 ASSI { 758} (( segid " A" and resid 63 and name HG2 )) (( segid " A" and resid 67 and name HG11)) 2.387 0.712 0.712 peak 758 weight 1.00000E+00 volume 3.02898E+06 ppm1 2.356 ppm2 1.289 OR { 758} ( segid " A" and resid 3 and name HG2#) (( segid " A" and resid 31 and name HG2 )) ASSI { 3713} (( segid " A" and resid 63 and name HG2 )) ( segid " A" and resid 67 and name HD1#) 2.375 0.705 0.705 peak 3713 weight 1.00000E+00 volume 3.12100E+06 ppm1 0.928 ppm2 2.374 ASSI { 1623} (( segid " A" and resid 63 and name HE22)) ( segid " A" and resid 67 and name HG2#) 3.545 1.571 1.571 peak 1623 weight 1.00000E+00 volume 1.34275E+07 ppm1 7.284 ppm2 1.033 ASSI { 1622} (( segid " A" and resid 63 and name HE22)) ( segid " A" and resid 67 and name HD1#) 2.657 0.883 0.883 peak 1622 weight 1.00000E+00 volume 4.41823E+07 ppm1 7.279 ppm2 0.906 ASSI { 1580} ( segid " A" and resid 64 and name HD1#) ( segid " A" and resid 24 and name HB# ) 1.879 0.441 0.441 peak 1580 weight 1.00000E+00 volume 1.27064E+07 ppm1 0.893 ppm2 1.253 ASSI { 3688} ( segid " A" and resid 64 and name HD1#) (( segid " A" and resid 24 and name HA )) 2.513 0.789 0.789 peak 3688 weight 1.00000E+00 volume 2.22400E+06 ppm1 0.862 ppm2 4.202 ASSI { 2312} ( segid " A" and resid 64 and name HD1#) (( segid " A" and resid 24 and name HN )) 2.561 0.820 0.820 peak 2312 weight 1.00000E+00 volume 9.44600E+07 ppm1 8.178 ppm2 0.852 ASSI { 737} ( segid " A" and resid 64 and name HD# ) (( segid " A" and resid 64 and name HG )) 1.866 0.435 0.435 peak 737 weight 1.00000E+00 volume 1.32471E+07 ppm1 1.494 ppm2 0.862 ASSI { 1354} (( segid " A" and resid 64 and name HA )) (( segid " A" and resid 64 and name HB1 )) 2.473 0.764 0.764 peak 1354 weight 1.00000E+00 volume 2.44962E+06 ppm1 4.074 ppm2 1.670 ASSI { 1357} ( segid " A" and resid 64 and name HD2#) (( segid " A" and resid 64 and name HB2 )) 2.243 0.629 0.629 peak 1357 weight 1.00000E+00 volume 4.39227E+06 ppm1 1.930 ppm2 0.860 ASSI { 1358} ( segid " A" and resid 64 and name HD2#) (( segid " A" and resid 64 and name HB1 )) 2.188 0.599 0.599 peak 1358 weight 1.00000E+00 volume 4.10721E+06 ppm1 1.654 ppm2 0.870 ASSI { 1361} (( segid " A" and resid 64 and name HB1 )) (( segid " A" and resid 64 and name HB2 )) 2.351 0.691 0.691 peak 1361 weight 1.00000E+00 volume 3.31824E+06 ppm1 1.929 ppm2 1.646 ASSI { 1363} (( segid " A" and resid 64 and name HA )) (( segid " A" and resid 64 and name HB2 )) 2.702 0.913 0.913 peak 1363 weight 1.00000E+00 volume 1.43822E+06 ppm1 1.940 ppm2 4.078 ASSI { 2534} (( segid " A" and resid 64 and name HB2 )) (( segid " A" and resid 64 and name HN )) 2.412 0.727 0.727 peak 2534 weight 1.00000E+00 volume 1.35400E+08 ppm1 7.899 ppm2 1.906 ASSI { 728} (( segid " A" and resid 64 and name HB1 )) (( segid " A" and resid 64 and name HN )) 2.551 0.814 0.814 peak 728 weight 1.00000E+00 volume 9.66380E+07 ppm1 7.899 ppm2 1.633 ASSI { 3283} ( segid " A" and resid 64 and name HD1#) (( segid " A" and resid 64 and name HG )) 1.886 0.445 0.445 peak 3283 weight 1.00000E+00 volume 1.24205E+07 ppm1 0.897 ppm2 1.489 OR { 3283} ( segid " A" and resid 111 and name HG2#) ( segid " A" and resid 114 and name HB# ) ASSI { 3574} (( segid " A" and resid 64 and name HG )) (( segid " A" and resid 64 and name HB2 )) 2.321 0.673 0.673 peak 3574 weight 1.00000E+00 volume 3.58000E+06 ppm1 1.494 ppm2 1.898 ASSI { 1353} ( segid " A" and resid 64 and name HD2#) (( segid " A" and resid 64 and name HA )) 2.053 0.527 0.527 peak 1353 weight 1.00000E+00 volume 7.47441E+06 ppm1 4.071 ppm2 0.869 ASSI { 726} (( segid " A" and resid 64 and name HA )) (( segid " A" and resid 64 and name HN )) 2.510 0.787 0.787 peak 726 weight 1.00000E+00 volume 1.06642E+08 ppm1 7.899 ppm2 4.061 ASSI { 1146} ( segid " A" and resid 64 and name HD1#) (( segid " A" and resid 65 and name HN )) 2.917 1.064 1.064 peak 1146 weight 1.00000E+00 volume 4.32017E+07 ppm1 8.989 ppm2 0.887 ASSI { 3686} ( segid " A" and resid 64 and name HD2#) (( segid " A" and resid 67 and name HB )) 2.223 0.618 0.618 peak 3686 weight 1.00000E+00 volume 4.63600E+06 ppm1 0.862 ppm2 2.023 ASSI { 3711} (( segid " A" and resid 64 and name HA )) (( segid " A" and resid 67 and name HB )) 2.839 1.007 1.007 peak 3711 weight 1.00000E+00 volume 1.07000E+06 ppm1 2.030 ppm2 4.070 ASSI { 3712} (( segid " A" and resid 64 and name HB1 )) ( segid " A" and resid 67 and name HD1#) 2.560 0.819 0.819 peak 3712 weight 1.00000E+00 volume 1.98700E+06 ppm1 0.927 ppm2 1.601 ASSI { 1477} (( segid " A" and resid 64 and name HA )) ( segid " A" and resid 67 and name HD1#) 2.389 0.713 0.713 peak 1477 weight 1.00000E+00 volume 3.01030E+06 ppm1 0.928 ppm2 4.075 ASSI { 3716} (( segid " A" and resid 64 and name HN )) ( segid " A" and resid 67 and name HD1#) 2.830 1.001 1.001 peak 3716 weight 1.00000E+00 volume 1.08900E+06 ppm1 0.926 ppm2 7.875 ASSI { 1147} (( segid " A" and resid 64 and name HA )) (( segid " A" and resid 67 and name HN )) 2.675 0.894 0.894 peak 1147 weight 1.00000E+00 volume 7.27165E+07 ppm1 7.429 ppm2 4.057 ASSI { 1663} (( segid " A" and resid 64 and name HG )) (( segid " A" and resid 68 and name HN )) 3.493 1.525 1.525 peak 1663 weight 1.00000E+00 volume 1.46635E+07 ppm1 8.697 ppm2 1.510 ASSI { 554} (( segid " A" and resid 65 and name HA2 )) ( segid " A" and resid 24 and name HB# ) 2.356 0.694 0.694 peak 554 weight 1.00000E+00 volume 3.27526E+06 ppm1 1.279 ppm2 3.567 ASSI { 1398} (( segid " A" and resid 65 and name HA1 )) ( segid " A" and resid 24 and name HB# ) 2.597 0.843 0.843 peak 1398 weight 1.00000E+00 volume 1.82605E+06 ppm1 4.061 ppm2 1.286 ASSI { 604} (( segid " A" and resid 65 and name HA2 )) ( segid " A" and resid 26 and name HD2#) 2.443 0.746 0.746 peak 604 weight 1.00000E+00 volume 2.63387E+06 ppm1 0.799 ppm2 3.550 ASSI { 605} (( segid " A" and resid 65 and name HA1 )) ( segid " A" and resid 26 and name HD2#) 2.499 0.780 0.780 peak 605 weight 1.00000E+00 volume 2.30069E+06 ppm1 0.799 ppm2 4.041 ASSI { 3537} (( segid " A" and resid 65 and name HA2 )) ( segid " A" and resid 26 and name HD1#) 2.443 0.746 0.746 peak 3537 weight 1.00000E+00 volume 2.63400E+06 ppm1 0.799 ppm2 3.550 ASSI { 2377} (( segid " A" and resid 65 and name HA2 )) (( segid " A" and resid 30 and name HG )) 3.018 1.138 1.138 peak 2377 weight 1.00000E+00 volume 7.41053E+05 ppm1 1.488 ppm2 3.568 OR { 2377} (( segid " A" and resid 65 and name HA2 )) (( segid " A" and resid 64 and name HG )) ASSI { 71} (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 64 and name HN )) 2.608 0.850 0.850 peak 71 weight 1.00000E+00 volume 8.46810E+07 ppm1 8.989 ppm2 7.895 ASSI { 512} (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 64 and name HG )) 3.024 1.143 1.143 peak 512 weight 1.00000E+00 volume 3.48115E+07 ppm1 8.989 ppm2 1.482 ASSI { 513} (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 64 and name HB1 )) 2.815 0.990 0.990 peak 513 weight 1.00000E+00 volume 5.35758E+07 ppm1 8.989 ppm2 1.630 ASSI { 2320} (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 64 and name HB2 )) 2.514 0.790 0.790 peak 2320 weight 1.00000E+00 volume 1.05400E+08 ppm1 8.990 ppm2 1.901 ASSI { 1395} (( segid " A" and resid 65 and name HA2 )) (( segid " A" and resid 65 and name HA1 )) 2.139 0.572 0.572 peak 1395 weight 1.00000E+00 volume 5.34191E+06 ppm1 4.067 ppm2 3.557 ASSI { 733} (( segid " A" and resid 65 and name HA1 )) (( segid " A" and resid 65 and name HN )) 2.260 0.639 0.639 peak 733 weight 1.00000E+00 volume 1.99783E+08 ppm1 8.988 ppm2 4.046 ASSI { 732} (( segid " A" and resid 65 and name HA2 )) (( segid " A" and resid 65 and name HN )) 2.449 0.749 0.749 peak 732 weight 1.00000E+00 volume 1.23592E+08 ppm1 8.989 ppm2 3.549 ASSI { 1404} (( segid " A" and resid 65 and name HA1 )) (( segid " A" and resid 66 and name HN )) 2.852 1.017 1.017 peak 1404 weight 1.00000E+00 volume 1.03921E+06 ppm1 4.073 ppm2 7.401 ASSI { 72} (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 66 and name HN )) 2.711 0.919 0.919 peak 72 weight 1.00000E+00 volume 6.70858E+07 ppm1 8.989 ppm2 7.401 ASSI { 2537} (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 67 and name HN )) 3.344 1.398 1.398 peak 2537 weight 1.00000E+00 volume 1.90600E+07 ppm1 7.430 ppm2 8.983 ASSI { 2545} (( segid " A" and resid 65 and name HA1 )) (( segid " A" and resid 68 and name HN )) 3.283 1.347 1.347 peak 2545 weight 1.00000E+00 volume 2.12900E+07 ppm1 8.698 ppm2 3.551 ASSI { 1411} (( segid " A" and resid 66 and name HN )) (( segid " A" and resid 66 and name HA )) 2.268 0.643 0.643 peak 1411 weight 1.00000E+00 volume 4.11669E+06 ppm1 3.913 ppm2 7.393 ASSI { 1425} (( segid " A" and resid 66 and name HB2 )) (( segid " A" and resid 66 and name HD2 )) 2.292 0.657 0.657 peak 1425 weight 1.00000E+00 volume 3.86075E+06 ppm1 1.957 ppm2 3.216 ASSI { 1427} (( segid " A" and resid 66 and name HN )) ( segid " A" and resid 66 and name HD# ) 2.664 0.887 0.887 peak 1427 weight 1.00000E+00 volume 1.56593E+06 ppm1 3.216 ppm2 7.389 ASSI { 1439} (( segid " A" and resid 66 and name HG1 )) (( segid " A" and resid 66 and name HG2 )) 1.942 0.471 0.471 peak 1439 weight 1.00000E+00 volume 1.04338E+07 ppm1 1.533 ppm2 1.890 ASSI { 1442} ( segid " A" and resid 66 and name HD# ) (( segid " A" and resid 66 and name HG1 )) 2.222 0.617 0.617 peak 1442 weight 1.00000E+00 volume 4.64621E+06 ppm1 1.535 ppm2 3.225 ASSI { 1443} ( segid " A" and resid 66 and name HD# ) (( segid " A" and resid 66 and name HG2 )) 2.308 0.666 0.666 peak 1443 weight 1.00000E+00 volume 3.70572E+06 ppm1 1.869 ppm2 3.217 ASSI { 1445} (( segid " A" and resid 66 and name HA )) (( segid " A" and resid 66 and name HG1 )) 2.824 0.997 0.997 peak 1445 weight 1.00000E+00 volume 1.10333E+06 ppm1 1.527 ppm2 3.894 ASSI { 1406} (( segid " A" and resid 66 and name HA )) (( segid " A" and resid 66 and name HB1 )) 1.838 0.422 0.422 peak 1406 weight 1.00000E+00 volume 1.45149E+07 ppm1 3.914 ppm2 1.945 ASSI { 1648} (( segid " A" and resid 66 and name HN )) (( segid " A" and resid 66 and name HB2 )) 2.214 0.613 0.613 peak 1648 weight 1.00000E+00 volume 2.07275E+07 ppm1 7.392 ppm2 1.952 ASSI { 2540} ( segid " A" and resid 66 and name HD# ) (( segid " A" and resid 67 and name HN )) 3.198 1.278 1.278 peak 2540 weight 1.00000E+00 volume 2.49100E+07 ppm1 7.426 ppm2 3.210 ASSI { 2541} (( segid " A" and resid 66 and name HG1 )) (( segid " A" and resid 67 and name HN )) 2.972 1.104 1.104 peak 2541 weight 1.00000E+00 volume 3.86600E+07 ppm1 7.432 ppm2 1.517 ASSI { 1689} (( segid " A" and resid 66 and name HA )) (( segid " A" and resid 71 and name HN )) 3.167 1.254 1.254 peak 1689 weight 1.00000E+00 volume 2.63898E+07 ppm1 7.850 ppm2 3.895 ASSI { 2559} (( segid " A" and resid 66 and name HG2 )) (( segid " A" and resid 71 and name HN )) 3.118 1.215 1.215 peak 2559 weight 1.00000E+00 volume 2.89900E+07 ppm1 7.847 ppm2 1.883 ASSI { 1700} (( segid " A" and resid 66 and name HA )) (( segid " A" and resid 72 and name HN )) 2.797 0.978 0.978 peak 1700 weight 1.00000E+00 volume 5.56462E+07 ppm1 7.348 ppm2 3.908 ASSI { 1625} (( segid " A" and resid 67 and name HG12)) (( segid " A" and resid 63 and name HE21)) 3.608 1.627 1.627 peak 1625 weight 1.00000E+00 volume 1.20762E+07 ppm1 6.817 ppm2 1.779 ASSI { 1624} (( segid " A" and resid 67 and name HG12)) (( segid " A" and resid 63 and name HE22)) 3.324 1.381 1.381 peak 1624 weight 1.00000E+00 volume 1.97530E+07 ppm1 7.279 ppm2 1.789 ASSI { 1507} ( segid " A" and resid 67 and name HG2#) (( segid " A" and resid 64 and name HA )) 2.563 0.821 0.821 peak 1507 weight 1.00000E+00 volume 1.97716E+06 ppm1 1.043 ppm2 4.071 OR { 1507} ( segid " A" and resid 67 and name HG2#) (( segid " A" and resid 68 and name HA )) ASSI { 1434} (( segid " A" and resid 67 and name HG12)) (( segid " A" and resid 66 and name HD1 )) 2.152 0.579 0.579 peak 1434 weight 1.00000E+00 volume 5.63199E+06 ppm1 3.216 ppm2 1.792 ASSI { 1452} (( segid " A" and resid 67 and name HA )) (( segid " A" and resid 67 and name HB )) 2.675 0.894 0.894 peak 1452 weight 1.00000E+00 volume 2.45672E+05 ppm1 3.854 ppm2 2.058 ASSI { 1454} (( segid " A" and resid 67 and name HG11)) (( segid " A" and resid 67 and name HA )) 2.632 0.866 0.866 peak 1454 weight 1.00000E+00 volume 1.68219E+06 ppm1 3.849 ppm2 1.300 ASSI { 736} (( segid " A" and resid 67 and name HA )) (( segid " A" and resid 67 and name HN )) 2.452 0.751 0.751 peak 736 weight 1.00000E+00 volume 1.22664E+08 ppm1 7.429 ppm2 3.844 ASSI { 1462} (( segid " A" and resid 67 and name HG11)) (( segid " A" and resid 67 and name HB )) 2.562 0.821 0.821 peak 1462 weight 1.00000E+00 volume 1.37509E+06 ppm1 2.035 ppm2 1.289 ASSI { 1463} ( segid " A" and resid 67 and name HG2#) (( segid " A" and resid 67 and name HB )) 2.134 0.569 0.569 peak 1463 weight 1.00000E+00 volume 4.83482E+06 ppm1 2.033 ppm2 1.031 ASSI { 516} (( segid " A" and resid 67 and name HB )) (( segid " A" and resid 67 and name HN )) 2.128 0.566 0.566 peak 516 weight 1.00000E+00 volume 2.86660E+08 ppm1 7.429 ppm2 2.001 ASSI { 1472} (( segid " A" and resid 67 and name HG12)) ( segid " A" and resid 67 and name HD1#) 1.981 0.491 0.491 peak 1472 weight 1.00000E+00 volume 9.24905E+06 ppm1 0.930 ppm2 1.807 ASSI { 1464} (( segid " A" and resid 67 and name HB )) ( segid " A" and resid 67 and name HD1#) 2.072 0.537 0.537 peak 1464 weight 1.00000E+00 volume 4.21754E+06 ppm1 2.032 ppm2 0.931 ASSI { 1015} (( segid " A" and resid 67 and name HG11)) (( segid " A" and resid 67 and name HG12)) 2.005 0.502 0.502 peak 1015 weight 1.00000E+00 volume 8.62786E+06 ppm1 1.802 ppm2 1.311 ASSI { 1470} (( segid " A" and resid 67 and name HG11)) ( segid " A" and resid 67 and name HD1#) 1.987 0.494 0.494 peak 1470 weight 1.00000E+00 volume 9.09512E+06 ppm1 0.928 ppm2 1.289 ASSI { 1453} (( segid " A" and resid 67 and name HG12)) (( segid " A" and resid 67 and name HA )) 2.329 0.678 0.678 peak 1453 weight 1.00000E+00 volume 3.50856E+06 ppm1 3.855 ppm2 1.782 ASSI { 1150} (( segid " A" and resid 67 and name HG11)) (( segid " A" and resid 67 and name HN )) 2.543 0.809 0.809 peak 1150 weight 1.00000E+00 volume 9.84307E+07 ppm1 7.429 ppm2 1.285 ASSI { 1503} (( segid " A" and resid 67 and name HG12)) ( segid " A" and resid 67 and name HG2#) 2.224 0.618 0.618 peak 1503 weight 1.00000E+00 volume 4.63205E+06 ppm1 1.046 ppm2 1.810 ASSI { 1506} ( segid " A" and resid 67 and name HG2#) (( segid " A" and resid 67 and name HA )) 2.331 0.679 0.679 peak 1506 weight 1.00000E+00 volume 3.49183E+06 ppm1 1.045 ppm2 3.850 ASSI { 1149} (( segid " A" and resid 67 and name HG12)) (( segid " A" and resid 67 and name HN )) 2.318 0.671 0.671 peak 1149 weight 1.00000E+00 volume 1.71839E+08 ppm1 7.429 ppm2 1.792 ASSI { 1152} (( segid " A" and resid 67 and name HN )) ( segid " A" and resid 67 and name HD1#) 2.538 0.805 0.805 peak 1152 weight 1.00000E+00 volume 9.96317E+07 ppm1 7.428 ppm2 0.906 ASSI { 3723} ( segid " A" and resid 67 and name HG2#) (( segid " A" and resid 68 and name HA )) 2.563 0.821 0.821 peak 3723 weight 1.00000E+00 volume 1.97700E+06 ppm1 1.043 ppm2 4.071 ASSI { 74} (( segid " A" and resid 67 and name HN )) (( segid " A" and resid 68 and name HN )) 2.563 0.821 0.821 peak 74 weight 1.00000E+00 volume 9.39568E+07 ppm1 7.430 ppm2 8.692 ASSI { 517} (( segid " A" and resid 67 and name HA )) (( segid " A" and resid 68 and name HN )) 2.993 1.120 1.120 peak 517 weight 1.00000E+00 volume 3.70554E+07 ppm1 8.698 ppm2 3.866 ASSI { 1664} ( segid " A" and resid 67 and name HG2#) (( segid " A" and resid 68 and name HN )) 2.539 0.806 0.806 peak 1664 weight 1.00000E+00 volume 9.93543E+07 ppm1 8.698 ppm2 1.092 ASSI { 2546} (( segid " A" and resid 67 and name HB )) (( segid " A" and resid 68 and name HN )) 2.514 0.790 0.790 peak 2546 weight 1.00000E+00 volume 1.05500E+08 ppm1 8.698 ppm2 2.000 ASSI { 2547} (( segid " A" and resid 67 and name HG11)) (( segid " A" and resid 68 and name HN )) 2.996 1.122 1.122 peak 2547 weight 1.00000E+00 volume 3.68318E+07 ppm1 8.698 ppm2 1.291 ASSI { 3706} (( segid " A" and resid 67 and name HA )) ( segid " A" and resid 71 and name HB# ) 2.748 0.944 0.944 peak 3706 weight 1.00000E+00 volume 1.30000E+06 ppm1 3.854 ppm2 3.222 ASSI { 3733} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 21 and name HA )) 2.287 0.654 0.654 peak 3733 weight 1.00000E+00 volume 3.91600E+06 ppm1 0.649 ppm2 3.362 ASSI { 1371} ( segid " A" and resid 68 and name HD2#) ( segid " A" and resid 64 and name HD2#) 1.731 0.375 0.375 peak 1371 weight 1.00000E+00 volume 6.99843E+06 ppm1 0.862 ppm2 0.643 ASSI { 3684} ( segid " A" and resid 68 and name HD1#) ( segid " A" and resid 64 and name HD1#) 1.893 0.448 0.448 peak 3684 weight 1.00000E+00 volume 6.99800E+06 ppm1 0.862 ppm2 0.643 ASSI { 3731} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 64 and name HG )) 2.687 0.902 0.902 peak 3731 weight 1.00000E+00 volume 1.48800E+06 ppm1 0.647 ppm2 1.508 ASSI { 1549} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 65 and name HA2 )) 2.923 1.068 1.068 peak 1549 weight 1.00000E+00 volume 8.98016E+05 ppm1 0.649 ppm2 3.553 ASSI { 1779} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 65 and name HA1 )) 2.945 1.084 1.084 peak 1779 weight 1.00000E+00 volume 8.58744E+05 ppm1 0.603 ppm2 3.996 ASSI { 3720} ( segid " A" and resid 68 and name HD2#) ( segid " A" and resid 67 and name HG2#) 2.496 0.779 0.779 peak 3720 weight 1.00000E+00 volume 2.31700E+06 ppm1 1.047 ppm2 0.645 ASSI { 3727} ( segid " A" and resid 68 and name HD2#) (( segid " A" and resid 67 and name HB )) 2.539 0.806 0.806 peak 3727 weight 1.00000E+00 volume 2.09000E+06 ppm1 0.620 ppm2 2.045 ASSI { 3732} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 67 and name HB )) 2.733 0.934 0.934 peak 3732 weight 1.00000E+00 volume 1.34400E+06 ppm1 0.646 ppm2 2.051 ASSI { 2544} ( segid " A" and resid 68 and name HD# ) (( segid " A" and resid 67 and name HN )) 3.487 1.520 1.520 peak 2544 weight 1.00000E+00 volume 1.48200E+07 ppm1 7.431 ppm2 0.637 ASSI { 701} ( segid " A" and resid 68 and name HD2#) (( segid " A" and resid 68 and name HB2 )) 2.240 0.627 0.627 peak 701 weight 1.00000E+00 volume 1.86659E+06 ppm1 1.150 ppm2 0.627 ASSI { 1514} (( segid " A" and resid 68 and name HB2 )) (( segid " A" and resid 68 and name HA )) 2.431 0.739 0.739 peak 1514 weight 1.00000E+00 volume 2.71269E+06 ppm1 4.069 ppm2 1.164 ASSI { 1517} (( segid " A" and resid 68 and name HB1 )) (( segid " A" and resid 68 and name HN )) 2.720 0.925 0.925 peak 1517 weight 1.00000E+00 volume 1.38341E+06 ppm1 1.866 ppm2 8.697 ASSI { 1518} (( segid " A" and resid 68 and name HB1 )) (( segid " A" and resid 68 and name HA )) 2.618 0.857 0.857 peak 1518 weight 1.00000E+00 volume 1.73939E+06 ppm1 1.865 ppm2 4.070 ASSI { 1520} (( segid " A" and resid 68 and name HB2 )) (( segid " A" and resid 68 and name HB1 )) 2.309 0.666 0.666 peak 1520 weight 1.00000E+00 volume 3.69388E+06 ppm1 1.150 ppm2 1.866 ASSI { 1523} ( segid " A" and resid 68 and name HD2#) (( segid " A" and resid 68 and name HB1 )) 2.330 0.679 0.679 peak 1523 weight 1.00000E+00 volume 3.49629E+06 ppm1 1.872 ppm2 0.637 ASSI { 1532} ( segid " A" and resid 68 and name HD2#) (( segid " A" and resid 68 and name HG )) 2.059 0.530 0.530 peak 1532 weight 1.00000E+00 volume 7.35066E+06 ppm1 0.621 ppm2 1.831 ASSI { 1512} ( segid " A" and resid 68 and name HD2#) (( segid " A" and resid 68 and name HA )) 2.078 0.540 0.540 peak 1512 weight 1.00000E+00 volume 6.93738E+06 ppm1 4.070 ppm2 0.633 ASSI { 1540} ( segid " A" and resid 68 and name HD2#) (( segid " A" and resid 68 and name HN )) 2.575 0.829 0.829 peak 1540 weight 1.00000E+00 volume 1.92137E+06 ppm1 0.621 ppm2 8.682 ASSI { 1543} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 68 and name HB2 )) 2.398 0.719 0.719 peak 1543 weight 1.00000E+00 volume 2.94657E+06 ppm1 0.651 ppm2 1.114 ASSI { 1546} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 68 and name HG )) 2.024 0.512 0.512 peak 1546 weight 1.00000E+00 volume 8.15203E+06 ppm1 0.648 ppm2 1.822 ASSI { 1551} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 68 and name HA )) 2.561 0.820 0.820 peak 1551 weight 1.00000E+00 volume 1.98317E+06 ppm1 0.648 ppm2 4.070 ASSI { 1552} ( segid " A" and resid 68 and name HD1#) (( segid " A" and resid 68 and name HN )) 2.592 0.840 0.840 peak 1552 weight 1.00000E+00 volume 1.84516E+06 ppm1 0.648 ppm2 8.676 ASSI { 1156} (( segid " A" and resid 68 and name HN )) (( segid " A" and resid 68 and name HA )) 2.546 0.810 0.810 peak 1156 weight 1.00000E+00 volume 9.77341E+07 ppm1 8.697 ppm2 4.054 ASSI { 76} (( segid " A" and resid 68 and name HN )) (( segid " A" and resid 69 and name HN )) 2.753 0.948 0.948 peak 76 weight 1.00000E+00 volume 6.11653E+07 ppm1 8.698 ppm2 8.378 ASSI { 2386} (( segid " A" and resid 68 and name HA )) (( segid " A" and resid 69 and name HN )) 3.086 1.190 1.190 peak 2386 weight 1.00000E+00 volume 3.08500E+07 ppm1 8.380 ppm2 4.056 ASSI { 2910} (( segid " A" and resid 69 and name HB2 )) (( segid " A" and resid 69 and name HB1 )) 1.747 0.382 0.382 peak 2910 weight 1.00000E+00 volume 1.96758E+07 ppm1 1.772 ppm2 1.940 ASSI { 737} (( segid " A" and resid 69 and name HN )) (( segid " A" and resid 69 and name HA )) 2.759 0.951 0.951 peak 737 weight 1.00000E+00 volume 6.04378E+07 ppm1 8.375 ppm2 3.890 ASSI { 738} (( segid " A" and resid 69 and name HB2 )) (( segid " A" and resid 69 and name HN )) 2.874 1.033 1.033 peak 738 weight 1.00000E+00 volume 4.72574E+07 ppm1 8.383 ppm2 1.715 ASSI { 519} (( segid " A" and resid 69 and name HB2 )) (( segid " A" and resid 70 and name HN )) 2.586 0.836 0.836 peak 519 weight 1.00000E+00 volume 8.91754E+07 ppm1 7.772 ppm2 1.742 ASSI { 1275} (( segid " A" and resid 69 and name HB1 )) (( segid " A" and resid 70 and name HN )) 2.781 0.967 0.967 peak 1275 weight 1.00000E+00 volume 5.75542E+07 ppm1 7.772 ppm2 1.960 ASSI { 125} (( segid " A" and resid 69 and name HN )) (( segid " A" and resid 70 and name HN )) 2.503 0.783 0.783 peak 125 weight 1.00000E+00 volume 1.08332E+08 ppm1 7.772 ppm2 8.379 ASSI { 1558} (( segid " A" and resid 70 and name HB2 )) (( segid " A" and resid 70 and name HA )) 2.805 0.983 0.983 peak 1558 weight 1.00000E+00 volume 1.14962E+06 ppm1 3.228 ppm2 4.805 ASSI { 739} (( segid " A" and resid 70 and name HA )) (( segid " A" and resid 70 and name HN )) 2.645 0.875 0.875 peak 739 weight 1.00000E+00 volume 7.77436E+07 ppm1 7.772 ppm2 4.795 ASSI { 740} (( segid " A" and resid 70 and name HB2 )) (( segid " A" and resid 70 and name HN )) 2.111 0.557 0.557 peak 740 weight 1.00000E+00 volume 3.01123E+08 ppm1 7.772 ppm2 3.191 ASSI { 298} (( segid " A" and resid 70 and name HN )) (( segid " A" and resid 71 and name HN )) 2.068 0.535 0.535 peak 298 weight 1.00000E+00 volume 3.40080E+08 ppm1 7.772 ppm2 7.841 ASSI { 442} (( segid " A" and resid 70 and name HA )) (( segid " A" and resid 71 and name HN )) 3.089 1.193 1.193 peak 442 weight 1.00000E+00 volume 3.06608E+07 ppm1 7.844 ppm2 4.786 ASSI { 744} (( segid " A" and resid 71 and name HA )) (( segid " A" and resid 70 and name HN )) 3.253 1.323 1.323 peak 744 weight 1.00000E+00 volume 2.24849E+07 ppm1 7.773 ppm2 4.410 ASSI { 3734} ( segid " A" and resid 71 and name HB# ) (( segid " A" and resid 71 and name HA )) 2.744 0.941 0.941 peak 3734 weight 1.00000E+00 volume 1.31200E+06 ppm1 3.236 ppm2 4.460 ASSI { 742} (( segid " A" and resid 71 and name HA )) (( segid " A" and resid 71 and name HN )) 2.822 0.995 0.995 peak 742 weight 1.00000E+00 volume 5.27376E+07 ppm1 7.846 ppm2 4.405 ASSI { 2268} ( segid " A" and resid 71 and name HB# ) (( segid " A" and resid 71 and name HN )) 2.499 0.780 0.780 peak 2268 weight 1.00000E+00 volume 1.09463E+08 ppm1 7.847 ppm2 3.223 ASSI { 128} (( segid " A" and resid 72 and name HN )) (( segid " A" and resid 70 and name HN )) 2.759 0.951 0.951 peak 128 weight 1.00000E+00 volume 6.04230E+07 ppm1 7.771 ppm2 7.375 ASSI { 295} (( segid " A" and resid 72 and name HN )) (( segid " A" and resid 71 and name HN )) 2.317 0.671 0.671 peak 295 weight 1.00000E+00 volume 1.71950E+08 ppm1 7.349 ppm2 7.844 ASSI { 618} (( segid " A" and resid 72 and name HN )) (( segid " A" and resid 71 and name HA )) 2.466 0.760 0.760 peak 618 weight 1.00000E+00 volume 1.18458E+08 ppm1 7.348 ppm2 4.406 ASSI { 2560} ( segid " A" and resid 72 and name HG2#) (( segid " A" and resid 71 and name HN )) 2.913 1.061 1.061 peak 2560 weight 1.00000E+00 volume 4.36100E+07 ppm1 7.847 ppm2 0.958 ASSI { 1566} (( segid " A" and resid 72 and name HB )) (( segid " A" and resid 72 and name HA )) 2.757 0.950 0.950 peak 1566 weight 1.00000E+00 volume 1.27472E+06 ppm1 1.903 ppm2 4.997 ASSI { 1567} (( segid " A" and resid 72 and name HB )) (( segid " A" and resid 72 and name HN )) 2.789 0.973 0.973 peak 1567 weight 1.00000E+00 volume 1.18880E+06 ppm1 1.898 ppm2 7.375 ASSI { 1571} ( segid " A" and resid 72 and name HG1#) (( segid " A" and resid 72 and name HA )) 2.163 0.585 0.585 peak 1571 weight 1.00000E+00 volume 5.47411E+06 ppm1 0.873 ppm2 4.990 ASSI { 1581} ( segid " A" and resid 72 and name HG2#) (( segid " A" and resid 72 and name HB )) 2.044 0.522 0.522 peak 1581 weight 1.00000E+00 volume 7.67763E+06 ppm1 0.966 ppm2 1.895 ASSI { 3735} ( segid " A" and resid 72 and name HG1#) (( segid " A" and resid 72 and name HB )) 2.048 0.524 0.524 peak 3735 weight 1.00000E+00 volume 7.59700E+06 ppm1 1.896 ppm2 0.914 ASSI { 3861} ( segid " A" and resid 72 and name HG2#) (( segid " A" and resid 72 and name HA )) 2.761 0.953 0.953 peak 3861 weight 1.00000E+00 volume 1.26300E+06 ppm1 0.996 ppm2 4.997 ASSI { 746} (( segid " A" and resid 72 and name HA )) (( segid " A" and resid 72 and name HN )) 2.546 0.810 0.810 peak 746 weight 1.00000E+00 volume 9.78262E+07 ppm1 7.348 ppm2 4.969 ASSI { 2571} ( segid " A" and resid 72 and name HG2#) (( segid " A" and resid 72 and name HN )) 2.266 0.642 0.642 peak 2571 weight 1.00000E+00 volume 1.96600E+08 ppm1 7.348 ppm2 0.950 ASSI { 2579} ( segid " A" and resid 72 and name HG1#) (( segid " A" and resid 73 and name HN )) 2.185 0.597 0.597 peak 2579 weight 1.00000E+00 volume 2.44500E+08 ppm1 9.381 ppm2 0.856 ASSI { 1619} (( segid " A" and resid 72 and name HA )) ( segid " A" and resid 73 and name HG2#) 2.595 0.842 0.842 peak 1619 weight 1.00000E+00 volume 1.83362E+06 ppm1 1.154 ppm2 4.982 ASSI { 292} (( segid " A" and resid 72 and name HN )) (( segid " A" and resid 73 and name HN )) 3.162 1.250 1.250 peak 292 weight 1.00000E+00 volume 2.66348E+07 ppm1 9.375 ppm2 7.349 ASSI { 522} (( segid " A" and resid 72 and name HA )) (( segid " A" and resid 73 and name HN )) 2.257 0.637 0.637 peak 522 weight 1.00000E+00 volume 2.01489E+08 ppm1 9.381 ppm2 4.965 ASSI { 2575} (( segid " A" and resid 72 and name HB )) (( segid " A" and resid 73 and name HN )) 3.001 1.125 1.125 peak 2575 weight 1.00000E+00 volume 3.65000E+07 ppm1 9.380 ppm2 1.900 ASSI { 2578} ( segid " A" and resid 72 and name HG2#) (( segid " A" and resid 73 and name HN )) 2.630 0.864 0.864 peak 2578 weight 1.00000E+00 volume 8.05700E+07 ppm1 9.384 ppm2 0.972 ASSI { 2439} ( segid " A" and resid 73 and name HG2#) (( segid " A" and resid 39 and name HN )) 3.250 1.321 1.321 peak 2439 weight 1.00000E+00 volume 2.25900E+07 ppm1 9.224 ppm2 1.127 ASSI { 1598} (( segid " A" and resid 73 and name HB )) ( segid " A" and resid 73 and name HG1#) 1.691 0.357 0.357 peak 1598 weight 1.00000E+00 volume 2.39755E+07 ppm1 0.891 ppm2 2.042 ASSI { 1597} ( segid " A" and resid 73 and name HG2#) ( segid " A" and resid 73 and name HG1#) 1.704 0.363 0.363 peak 1597 weight 1.00000E+00 volume 2.28419E+07 ppm1 0.874 ppm2 1.146 ASSI { 1594} (( segid " A" and resid 73 and name HB )) ( segid " A" and resid 73 and name HG2#) 2.044 0.522 0.522 peak 1594 weight 1.00000E+00 volume 3.16762E+06 ppm1 2.033 ppm2 1.169 ASSI { 2685} (( segid " A" and resid 73 and name HB )) (( segid " A" and resid 73 and name HA )) 2.385 0.711 0.711 peak 2685 weight 1.00000E+00 volume 3.04000E+06 ppm1 2.057 ppm2 4.392 ASSI { 747} (( segid " A" and resid 73 and name HN )) (( segid " A" and resid 73 and name HA )) 2.890 1.044 1.044 peak 747 weight 1.00000E+00 volume 4.57294E+07 ppm1 9.381 ppm2 4.402 ASSI { 2574} (( segid " A" and resid 73 and name HN )) (( segid " A" and resid 73 and name HB )) 2.570 0.825 0.825 peak 2574 weight 1.00000E+00 volume 9.25000E+07 ppm1 9.380 ppm2 2.010 ASSI { 2577} (( segid " A" and resid 73 and name HN )) ( segid " A" and resid 73 and name HG2#) 2.848 1.014 1.014 peak 2577 weight 1.00000E+00 volume 4.98800E+07 ppm1 9.384 ppm2 1.137 ASSI { 2580} (( segid " A" and resid 73 and name HB )) (( segid " A" and resid 74 and name HN )) 3.157 1.245 1.245 peak 2580 weight 1.00000E+00 volume 2.69300E+07 ppm1 9.303 ppm2 2.013 ASSI { 2583} ( segid " A" and resid 73 and name HG1#) (( segid " A" and resid 74 and name HN )) 2.457 0.755 0.755 peak 2583 weight 1.00000E+00 volume 1.21100E+08 ppm1 9.304 ppm2 0.858 ASSI { 4279} ( segid " A" and resid 73 and name HG2#) ( segid " A" and resid 77 and name HE# ) 1.980 0.490 0.490 peak 4279 weight 1.00000E+00 volume 9.30490E+06 ppm1 1.157 ppm2 6.828 ASSI { 1864} ( segid " A" and resid 73 and name HG2#) (( segid " A" and resid 91 and name HN )) 3.556 1.580 1.580 peak 1864 weight 1.00000E+00 volume 1.31794E+07 ppm1 9.589 ppm2 1.121 ASSI { 2678} ( segid " A" and resid 73 and name HG1#) (( segid " A" and resid 91 and name HN )) 2.625 0.861 0.861 peak 2678 weight 1.00000E+00 volume 8.15000E+07 ppm1 9.591 ppm2 0.861 ASSI { 1435} (( segid " A" and resid 74 and name HA )) (( segid " A" and resid 36 and name HN )) 3.241 1.313 1.313 peak 1435 weight 1.00000E+00 volume 2.30023E+07 ppm1 8.473 ppm2 4.537 ASSI { 2429} (( segid " A" and resid 74 and name HA )) (( segid " A" and resid 37 and name HN )) 3.020 1.140 1.140 peak 2429 weight 1.00000E+00 volume 3.51300E+07 ppm1 9.582 ppm2 4.542 ASSI { 435} (( segid " A" and resid 74 and name HN )) (( segid " A" and resid 73 and name HA )) 2.171 0.589 0.589 peak 435 weight 1.00000E+00 volume 2.54709E+08 ppm1 9.303 ppm2 4.403 ASSI { 1627} (( segid " A" and resid 74 and name HA )) ( segid " A" and resid 74 and name HB# ) 1.943 0.472 0.472 peak 1627 weight 1.00000E+00 volume 1.03995E+07 ppm1 1.436 ppm2 4.567 ASSI { 749} (( segid " A" and resid 74 and name HA )) (( segid " A" and resid 74 and name HN )) 2.661 0.885 0.885 peak 749 weight 1.00000E+00 volume 7.50550E+07 ppm1 9.304 ppm2 4.540 ASSI { 750} (( segid " A" and resid 74 and name HN )) ( segid " A" and resid 74 and name HB# ) 2.000 0.500 0.500 peak 750 weight 1.00000E+00 volume 2.72598E+08 ppm1 9.303 ppm2 1.417 ASSI { 524} (( segid " A" and resid 74 and name HA )) (( segid " A" and resid 75 and name HN )) 2.095 0.549 0.549 peak 524 weight 1.00000E+00 volume 3.14911E+08 ppm1 7.929 ppm2 4.542 ASSI { 2279} (( segid " A" and resid 74 and name HN )) (( segid " A" and resid 91 and name HN )) 2.988 1.116 1.116 peak 2279 weight 1.00000E+00 volume 3.74400E+07 ppm1 9.304 ppm2 9.575 ASSI { 1733} (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 35 and name HA )) 3.795 1.800 1.800 peak 1733 weight 1.00000E+00 volume 8.92427E+06 ppm1 7.929 ppm2 5.015 ASSI { 281} (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 36 and name HN )) 3.231 1.305 1.305 peak 281 weight 1.00000E+00 volume 2.34269E+07 ppm1 7.929 ppm2 8.457 ASSI { 85} (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 37 and name HN )) 2.984 1.113 1.113 peak 85 weight 1.00000E+00 volume 3.40424E+07 ppm1 9.582 ppm2 7.927 ASSI { 1626} (( segid " A" and resid 75 and name HA1 )) ( segid " A" and resid 74 and name HB# ) 2.898 1.050 1.050 peak 1626 weight 1.00000E+00 volume 9.44676E+05 ppm1 1.436 ppm2 3.095 ASSI { 158} (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 74 and name HN )) 3.256 1.325 1.325 peak 158 weight 1.00000E+00 volume 2.23717E+07 ppm1 9.304 ppm2 7.924 ASSI { 523} (( segid " A" and resid 75 and name HN )) ( segid " A" and resid 74 and name HB# ) 2.222 0.617 0.617 peak 523 weight 1.00000E+00 volume 1.56714E+08 ppm1 7.929 ppm2 1.415 ASSI { 1029} (( segid " A" and resid 75 and name HA1 )) (( segid " A" and resid 75 and name HA2 )) 2.020 0.510 0.510 peak 1029 weight 1.00000E+00 volume 8.22979E+06 ppm1 3.097 ppm2 4.066 ASSI { 751} (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 75 and name HA2 )) 2.473 0.765 0.765 peak 751 weight 1.00000E+00 volume 1.16424E+08 ppm1 7.929 ppm2 4.046 ASSI { 752} (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 75 and name HA1 )) 2.485 0.772 0.772 peak 752 weight 1.00000E+00 volume 1.13211E+08 ppm1 7.929 ppm2 3.057 ASSI { 1732} (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 121 and name HA1 )) 3.723 1.732 1.732 peak 1732 weight 1.00000E+00 volume 1.00068E+07 ppm1 7.935 ppm2 5.362 ASSI { 1654} ( segid " A" and resid 76 and name HB# ) (( segid " A" and resid 36 and name HN )) 2.361 0.697 0.697 peak 1654 weight 1.00000E+00 volume 3.23173E+06 ppm1 0.967 ppm2 8.453 OR { 1654} ( segid " A" and resid 76 and name HB# ) (( segid " A" and resid 77 and name HN )) ASSI { 2428} ( segid " A" and resid 76 and name HB# ) (( segid " A" and resid 36 and name HN )) 2.732 0.933 0.933 peak 2428 weight 1.00000E+00 volume 6.40900E+07 ppm1 8.476 ppm2 0.945 ASSI { 2589} (( segid " A" and resid 76 and name HN )) (( segid " A" and resid 74 and name HA )) 3.517 1.546 1.546 peak 2589 weight 1.00000E+00 volume 1.40700E+07 ppm1 7.868 ppm2 4.529 ASSI { 1638} (( segid " A" and resid 76 and name HN )) (( segid " A" and resid 75 and name HA1 )) 2.266 0.642 0.642 peak 1638 weight 1.00000E+00 volume 4.13275E+06 ppm1 3.093 ppm2 7.870 ASSI { 612} (( segid " A" and resid 76 and name HN )) (( segid " A" and resid 75 and name HA2 )) 2.187 0.598 0.598 peak 612 weight 1.00000E+00 volume 2.43620E+08 ppm1 7.867 ppm2 4.050 ASSI { 1640} ( segid " A" and resid 76 and name HB# ) (( segid " A" and resid 76 and name HA )) 2.057 0.529 0.529 peak 1640 weight 1.00000E+00 volume 4.24295E+06 ppm1 4.121 ppm2 0.972 ASSI { 754} ( segid " A" and resid 76 and name HB# ) (( segid " A" and resid 76 and name HN )) 2.127 0.565 0.565 peak 754 weight 1.00000E+00 volume 2.67705E+08 ppm1 7.867 ppm2 0.950 ASSI { 753} (( segid " A" and resid 76 and name HN )) (( segid " A" and resid 76 and name HA )) 2.263 0.640 0.640 peak 753 weight 1.00000E+00 volume 1.98519E+08 ppm1 7.868 ppm2 4.097 ASSI { 526} (( segid " A" and resid 76 and name HA )) (( segid " A" and resid 77 and name HN )) 2.183 0.596 0.596 peak 526 weight 1.00000E+00 volume 2.46246E+08 ppm1 8.439 ppm2 4.097 ASSI { 276} (( segid " A" and resid 76 and name HN )) (( segid " A" and resid 77 and name HN )) 3.018 1.138 1.138 peak 276 weight 1.00000E+00 volume 3.52839E+07 ppm1 7.862 ppm2 8.437 ASSI { 3758} ( segid " A" and resid 76 and name HB# ) (( segid " A" and resid 121 and name HA2 )) 2.521 0.795 0.795 peak 3758 weight 1.00000E+00 volume 2.17900E+06 ppm1 0.971 ppm2 3.572 ASSI { 111} ( segid " A" and resid 77 and name HB# ) ( segid " A" and resid 37 and name HG2#) 2.751 0.946 0.946 peak 111 weight 1.00000E+00 volume 1.29176E+06 ppm1 2.701 ppm2 1.019 ASSI { 3605} (( segid " A" and resid 77 and name HB2 )) ( segid " A" and resid 37 and name HG2#) 2.486 0.773 0.773 peak 3605 weight 1.00000E+00 volume 2.36900E+06 ppm1 1.035 ppm2 2.719 ASSI { 1656} (( segid " A" and resid 77 and name HB1 )) (( segid " A" and resid 77 and name HN )) 2.679 0.897 0.897 peak 1656 weight 1.00000E+00 volume 1.51447E+06 ppm1 2.693 ppm2 8.426 ASSI { 757} (( segid " A" and resid 77 and name HN )) (( segid " A" and resid 77 and name HA )) 2.715 0.922 0.922 peak 757 weight 1.00000E+00 volume 6.64541E+07 ppm1 8.441 ppm2 4.935 ASSI { 759} (( segid " A" and resid 77 and name HB2 )) (( segid " A" and resid 77 and name HN )) 2.743 0.941 0.941 peak 759 weight 1.00000E+00 volume 6.24933E+07 ppm1 8.441 ppm2 2.800 ASSI { 530} (( segid " A" and resid 77 and name HB2 )) (( segid " A" and resid 78 and name HN )) 3.150 1.240 1.240 peak 530 weight 1.00000E+00 volume 2.72726E+07 ppm1 9.087 ppm2 2.841 ASSI { 1692} (( segid " A" and resid 77 and name HB1 )) (( segid " A" and resid 81 and name HB1 )) 2.117 0.560 0.560 peak 1692 weight 1.00000E+00 volume 6.21655E+06 ppm1 2.913 ppm2 2.691 ASSI { 1665} (( segid " A" and resid 77 and name HB2 )) ( segid " A" and resid 82 and name HD2#) 2.711 0.919 0.919 peak 1665 weight 1.00000E+00 volume 1.41082E+06 ppm1 2.799 ppm2 0.744 ASSI { 3437} (( segid " A" and resid 77 and name HB1 )) ( segid " A" and resid 82 and name HD2#) 2.491 0.775 0.775 peak 3437 weight 1.00000E+00 volume 2.34500E+06 ppm1 2.706 ppm2 0.756 ASSI { 3761} (( segid " A" and resid 77 and name HB2 )) (( segid " A" and resid 82 and name HG )) 2.719 0.924 0.924 peak 3761 weight 1.00000E+00 volume 1.38500E+06 ppm1 2.810 ppm2 1.738 ASSI { 3784} (( segid " A" and resid 77 and name HB2 )) ( segid " A" and resid 82 and name HD1#) 2.887 1.042 1.042 peak 3784 weight 1.00000E+00 volume 9.67400E+05 ppm1 0.605 ppm2 2.778 ASSI { 2633} (( segid " A" and resid 77 and name HB2 )) (( segid " A" and resid 82 and name HN )) 3.230 1.304 1.304 peak 2633 weight 1.00000E+00 volume 2.34700E+07 ppm1 8.337 ppm2 2.666 ASSI { 1752} (( segid " A" and resid 77 and name HN )) (( segid " A" and resid 121 and name HA1 )) 3.284 1.348 1.348 peak 1752 weight 1.00000E+00 volume 2.12196E+07 ppm1 8.441 ppm2 5.560 ASSI { 2606} (( segid " A" and resid 77 and name HN )) ( segid " A" and resid 122 and name HG2#) 3.176 1.261 1.261 peak 2606 weight 1.00000E+00 volume 2.59400E+07 ppm1 8.439 ppm2 0.355 ASSI { 382} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 77 and name HN )) 3.132 1.227 1.227 peak 382 weight 1.00000E+00 volume 2.81967E+07 ppm1 8.443 ppm2 9.086 ASSI { 531} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 77 and name HA )) 2.788 0.972 0.972 peak 531 weight 1.00000E+00 volume 5.66940E+07 ppm1 9.086 ppm2 4.932 ASSI { 607} (( segid " A" and resid 78 and name HG1 )) (( segid " A" and resid 78 and name HG2 )) 1.993 0.496 0.496 peak 607 weight 1.00000E+00 volume 4.79319E+06 ppm1 1.684 ppm2 1.214 ASSI { 1669} (( segid " A" and resid 78 and name HG2 )) (( segid " A" and resid 78 and name HB2 )) 2.622 0.859 0.859 peak 1669 weight 1.00000E+00 volume 1.72286E+06 ppm1 1.788 ppm2 1.248 ASSI { 1674} (( segid " A" and resid 78 and name HB2 )) (( segid " A" and resid 78 and name HA )) 2.813 0.989 0.989 peak 1674 weight 1.00000E+00 volume 1.12998E+06 ppm1 1.779 ppm2 4.579 ASSI { 1675} (( segid " A" and resid 78 and name HB1 )) (( segid " A" and resid 78 and name HA )) 2.502 0.783 0.783 peak 1675 weight 1.00000E+00 volume 2.28201E+06 ppm1 2.359 ppm2 4.582 ASSI { 1676} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 78 and name HB2 )) 2.798 0.979 0.979 peak 1676 weight 1.00000E+00 volume 1.16703E+06 ppm1 1.779 ppm2 9.087 ASSI { 1679} (( segid " A" and resid 78 and name HG2 )) (( segid " A" and resid 78 and name HD2 )) 2.139 0.572 0.572 peak 1679 weight 1.00000E+00 volume 5.84116E+06 ppm1 1.709 ppm2 1.219 ASSI { 1681} (( segid " A" and resid 78 and name HB1 )) ( segid " A" and resid 78 and name HD# ) 2.389 0.714 0.714 peak 1681 weight 1.00000E+00 volume 3.00783E+06 ppm1 1.708 ppm2 2.364 ASSI { 1682} (( segid " A" and resid 78 and name HA )) (( segid " A" and resid 78 and name HD1 )) 2.663 0.886 0.886 peak 1682 weight 1.00000E+00 volume 1.57093E+06 ppm1 1.711 ppm2 4.595 ASSI { 1684} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 78 and name HD1 )) 2.689 0.904 0.904 peak 1684 weight 1.00000E+00 volume 1.48200E+06 ppm1 1.712 ppm2 9.091 ASSI { 1691} (( segid " A" and resid 78 and name HG1 )) ( segid " A" and resid 78 and name HE# ) 1.709 0.365 0.365 peak 1691 weight 1.00000E+00 volume 2.24360E+07 ppm1 2.910 ppm2 1.686 ASSI { 1700} (( segid " A" and resid 78 and name HG2 )) (( segid " A" and resid 78 and name HB1 )) 2.891 1.045 1.045 peak 1700 weight 1.00000E+00 volume 9.58598E+05 ppm1 1.217 ppm2 2.363 ASSI { 1689} (( segid " A" and resid 78 and name HG2 )) ( segid " A" and resid 78 and name HE# ) 2.208 0.609 0.609 peak 1689 weight 1.00000E+00 volume 4.83067E+06 ppm1 2.907 ppm2 1.218 ASSI { 1703} (( segid " A" and resid 78 and name HG1 )) (( segid " A" and resid 78 and name HA )) 3.079 1.185 1.185 peak 1703 weight 1.00000E+00 volume 6.56979E+05 ppm1 1.671 ppm2 4.593 ASSI { 1704} (( segid " A" and resid 78 and name HG2 )) (( segid " A" and resid 78 and name HA )) 2.729 0.931 0.931 peak 1704 weight 1.00000E+00 volume 1.35381E+06 ppm1 1.210 ppm2 4.599 ASSI { 1672} (( segid " A" and resid 78 and name HB1 )) (( segid " A" and resid 78 and name HB2 )) 2.048 0.524 0.524 peak 1672 weight 1.00000E+00 volume 3.04866E+06 ppm1 1.786 ppm2 2.363 ASSI { 3771} (( segid " A" and resid 78 and name HA )) ( segid " A" and resid 78 and name HE# ) 2.520 0.794 0.794 peak 3771 weight 1.00000E+00 volume 2.18400E+06 ppm1 2.904 ppm2 4.560 ASSI { 1765} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 78 and name HG1 )) 2.971 1.103 1.103 peak 1765 weight 1.00000E+00 volume 3.87279E+07 ppm1 9.086 ppm2 1.685 OR { 1765} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 78 and name HD1 )) ASSI { 532} (( segid " A" and resid 78 and name HA )) (( segid " A" and resid 79 and name HN )) 2.601 0.846 0.846 peak 532 weight 1.00000E+00 volume 8.59437E+07 ppm1 11.650 ppm2 4.578 ASSI { 533} (( segid " A" and resid 78 and name HB2 )) (( segid " A" and resid 79 and name HN )) 2.809 0.987 0.987 peak 533 weight 1.00000E+00 volume 5.41914E+07 ppm1 11.650 ppm2 1.763 ASSI { 2607} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 79 and name HN )) 3.446 1.484 1.484 peak 2607 weight 1.00000E+00 volume 1.59100E+07 ppm1 11.647 ppm2 9.097 ASSI { 2608} (( segid " A" and resid 78 and name HB1 )) (( segid " A" and resid 79 and name HN )) 2.704 0.914 0.914 peak 2608 weight 1.00000E+00 volume 6.81600E+07 ppm1 11.651 ppm2 2.349 ASSI { 1668} (( segid " A" and resid 78 and name HB1 )) ( segid " A" and resid 80 and name HG2#) 2.509 0.787 0.787 peak 1668 weight 1.00000E+00 volume 2.24422E+06 ppm1 2.362 ppm2 1.243 ASSI { 1774} (( segid " A" and resid 78 and name HA )) (( segid " A" and resid 80 and name HN )) 3.010 1.132 1.132 peak 1774 weight 1.00000E+00 volume 3.58535E+07 ppm1 8.847 ppm2 4.581 ASSI { 2611} (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 80 and name HN )) 3.257 1.326 1.326 peak 2611 weight 1.00000E+00 volume 2.23200E+07 ppm1 8.851 ppm2 9.078 ASSI { 2615} (( segid " A" and resid 78 and name HB1 )) (( segid " A" and resid 80 and name HN )) 2.772 0.960 0.960 peak 2615 weight 1.00000E+00 volume 5.87700E+07 ppm1 8.851 ppm2 2.347 ASSI { 2617} (( segid " A" and resid 78 and name HB2 )) (( segid " A" and resid 80 and name HN )) 2.702 0.912 0.912 peak 2617 weight 1.00000E+00 volume 6.85100E+07 ppm1 8.848 ppm2 1.761 ASSI { 2773} (( segid " A" and resid 78 and name HA )) (( segid " A" and resid 115 and name HN )) 3.166 1.253 1.253 peak 2773 weight 1.00000E+00 volume 2.64500E+07 ppm1 9.721 ppm2 4.573 ASSI { 1687} ( segid " A" and resid 78 and name HE# ) ( segid " A" and resid 122 and name HG2#) 2.587 0.837 0.837 peak 1687 weight 1.00000E+00 volume 1.22583E+06 ppm1 2.907 ppm2 0.392 ASSI { 1698} (( segid " A" and resid 78 and name HG1 )) ( segid " A" and resid 122 and name HD1#) 2.022 0.511 0.511 peak 1698 weight 1.00000E+00 volume 1.97624E+06 ppm1 1.677 ppm2 0.657 ASSI { 4007} (( segid " A" and resid 78 and name HG2 )) ( segid " A" and resid 122 and name HD1#) 2.255 0.635 0.635 peak 4007 weight 1.00000E+00 volume 4.26300E+06 ppm1 0.652 ppm2 1.216 ASSI { 4021} (( segid " A" and resid 78 and name HA )) ( segid " A" and resid 122 and name HG2#) 2.368 0.701 0.701 peak 4021 weight 1.00000E+00 volume 3.17600E+06 ppm1 0.376 ppm2 4.604 ASSI { 1706} (( segid " A" and resid 79 and name HA )) ( segid " A" and resid 79 and name HB# ) 1.985 0.493 0.493 peak 1706 weight 1.00000E+00 volume 6.47548E+06 ppm1 3.736 ppm2 1.458 ASSI { 764} (( segid " A" and resid 79 and name HA )) (( segid " A" and resid 79 and name HN )) 2.953 1.090 1.090 peak 764 weight 1.00000E+00 volume 4.01963E+07 ppm1 11.648 ppm2 3.714 ASSI { 765} ( segid " A" and resid 79 and name HB# ) (( segid " A" and resid 79 and name HN )) 2.416 0.730 0.730 peak 765 weight 1.00000E+00 volume 1.33790E+08 ppm1 11.651 ppm2 1.440 ASSI { 534} ( segid " A" and resid 79 and name HB# ) (( segid " A" and resid 80 and name HN )) 2.252 0.634 0.634 peak 534 weight 1.00000E+00 volume 1.81488E+08 ppm1 8.850 ppm2 1.437 ASSI { 535} (( segid " A" and resid 79 and name HA )) (( segid " A" and resid 80 and name HN )) 3.049 1.162 1.162 peak 535 weight 1.00000E+00 volume 3.31518E+07 ppm1 8.851 ppm2 3.727 ASSI { 2366} (( segid " A" and resid 79 and name HA )) ( segid " A" and resid 104 and name HD1#) 2.046 0.523 0.523 peak 2366 weight 1.00000E+00 volume 4.13241E+06 ppm1 0.623 ppm2 3.727 ASSI { 2373} ( segid " A" and resid 79 and name HB# ) ( segid " A" and resid 104 and name HD2#) 1.755 0.385 0.385 peak 2373 weight 1.00000E+00 volume 1.91394E+07 ppm1 0.723 ppm2 1.444 ASSI { 3983} (( segid " A" and resid 79 and name HA )) ( segid " A" and resid 114 and name HB# ) 3.030 1.147 1.147 peak 3983 weight 1.00000E+00 volume 7.24000E+05 ppm1 1.491 ppm2 3.728 ASSI { 385} (( segid " A" and resid 80 and name HN )) (( segid " A" and resid 79 and name HN )) 3.287 1.351 1.351 peak 385 weight 1.00000E+00 volume 2.11051E+07 ppm1 11.655 ppm2 8.832 ASSI { 767} (( segid " A" and resid 80 and name HA )) (( segid " A" and resid 80 and name HN )) 2.379 0.707 0.707 peak 767 weight 1.00000E+00 volume 1.25525E+08 ppm1 8.850 ppm2 3.886 ASSI { 1719} (( segid " A" and resid 80 and name HA )) (( segid " A" and resid 80 and name HB )) 1.954 0.477 0.477 peak 1719 weight 1.00000E+00 volume 5.39024E+06 ppm1 3.902 ppm2 4.084 ASSI { 766} (( segid " A" and resid 80 and name HB )) (( segid " A" and resid 80 and name HN )) 2.272 0.645 0.645 peak 766 weight 1.00000E+00 volume 1.34199E+08 ppm1 8.850 ppm2 4.065 ASSI { 1733} ( segid " A" and resid 80 and name HG2#) (( segid " A" and resid 80 and name HB )) 1.796 0.403 0.403 peak 1733 weight 1.00000E+00 volume 9.10724E+06 ppm1 4.092 ppm2 1.261 ASSI { 934} ( segid " A" and resid 80 and name HG2#) (( segid " A" and resid 80 and name HN )) 2.039 0.520 0.520 peak 934 weight 1.00000E+00 volume 1.59067E+08 ppm1 8.850 ppm2 1.246 ASSI { 2612} (( segid " A" and resid 80 and name HN )) (( segid " A" and resid 82 and name HN )) 3.597 1.617 1.617 peak 2612 weight 1.00000E+00 volume 1.23000E+07 ppm1 8.848 ppm2 8.333 ASSI { 3791} (( segid " A" and resid 80 and name HA )) (( segid " A" and resid 83 and name HB1 )) 2.401 0.721 0.721 peak 3791 weight 1.00000E+00 volume 2.92200E+06 ppm1 1.755 ppm2 3.920 ASSI { 2614} (( segid " A" and resid 80 and name HN )) (( segid " A" and resid 115 and name HB2 )) 3.444 1.483 1.483 peak 2614 weight 1.00000E+00 volume 1.59600E+07 ppm1 8.850 ppm2 2.866 ASSI { 486} (( segid " A" and resid 81 and name HB1 )) (( segid " A" and resid 78 and name HN )) 2.808 0.986 0.986 peak 486 weight 1.00000E+00 volume 1.14198E+06 ppm1 2.867 ppm2 9.085 ASSI { 1752} (( segid " A" and resid 81 and name HB2 )) (( segid " A" and resid 78 and name HN )) 2.839 1.007 1.007 peak 1752 weight 1.00000E+00 volume 1.07026E+06 ppm1 3.141 ppm2 9.077 ASSI { 2619} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 78 and name HN )) 2.827 0.999 0.999 peak 2619 weight 1.00000E+00 volume 5.22400E+07 ppm1 7.016 ppm2 9.078 ASSI { 2625} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 78 and name HB1 )) 2.948 1.086 1.086 peak 2625 weight 1.00000E+00 volume 4.06200E+07 ppm1 7.015 ppm2 2.350 ASSI { 2623} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 79 and name HA )) 3.177 1.261 1.261 peak 2623 weight 1.00000E+00 volume 2.59300E+07 ppm1 7.015 ppm2 3.724 ASSI { 536} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 80 and name HA )) 2.711 0.919 0.919 peak 536 weight 1.00000E+00 volume 6.18736E+07 ppm1 7.016 ppm2 3.885 ASSI { 224} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 80 and name HN )) 2.457 0.755 0.755 peak 224 weight 1.00000E+00 volume 8.50836E+07 ppm1 8.850 ppm2 7.018 ASSI { 933} (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 80 and name HG2#) 2.326 0.676 0.676 peak 933 weight 1.00000E+00 volume 1.36310E+08 ppm1 7.016 ppm2 1.246 ASSI { 483} (( segid " A" and resid 81 and name HB1 )) (( segid " A" and resid 81 and name HA )) 2.439 0.744 0.744 peak 483 weight 1.00000E+00 volume 2.65917E+06 ppm1 2.868 ppm2 4.502 ASSI { 1751} (( segid " A" and resid 81 and name HB2 )) (( segid " A" and resid 81 and name HA )) 2.713 0.920 0.920 peak 1751 weight 1.00000E+00 volume 1.03054E+06 ppm1 4.501 ppm2 3.168 ASSI { 1753} (( segid " A" and resid 81 and name HB2 )) (( segid " A" and resid 81 and name HN )) 2.741 0.939 0.939 peak 1753 weight 1.00000E+00 volume 1.31933E+06 ppm1 3.137 ppm2 7.034 ASSI { 1756} (( segid " A" and resid 81 and name HB1 )) (( segid " A" and resid 81 and name HB2 )) 2.126 0.565 0.565 peak 1756 weight 1.00000E+00 volume 6.05820E+06 ppm1 2.873 ppm2 3.130 ASSI { 769} (( segid " A" and resid 81 and name HA )) (( segid " A" and resid 81 and name HN )) 2.417 0.730 0.730 peak 769 weight 1.00000E+00 volume 1.33546E+08 ppm1 7.015 ppm2 4.481 ASSI { 770} (( segid " A" and resid 81 and name HB1 )) (( segid " A" and resid 81 and name HN )) 2.384 0.710 0.710 peak 770 weight 1.00000E+00 volume 1.34315E+08 ppm1 7.015 ppm2 2.849 ASSI { 4} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 82 and name HN )) 2.235 0.625 0.625 peak 4 weight 1.00000E+00 volume 2.13451E+08 ppm1 7.016 ppm2 8.334 ASSI { 538} (( segid " A" and resid 81 and name HA )) (( segid " A" and resid 82 and name HN )) 3.110 1.209 1.209 peak 538 weight 1.00000E+00 volume 2.94638E+07 ppm1 8.338 ppm2 4.489 ASSI { 2628} (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 82 and name HD2#) 2.947 1.086 1.086 peak 2628 weight 1.00000E+00 volume 4.06600E+07 ppm1 7.015 ppm2 0.729 OR { 2628} (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 104 and name HD2#) ASSI { 2629} (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 82 and name HD1#) 2.971 1.104 1.104 peak 2629 weight 1.00000E+00 volume 3.87100E+07 ppm1 7.017 ppm2 0.598 ASSI { 2632} (( segid " A" and resid 81 and name HB1 )) (( segid " A" and resid 82 and name HN )) 2.793 0.975 0.975 peak 2632 weight 1.00000E+00 volume 5.61600E+07 ppm1 8.339 ppm2 3.122 ASSI { 2620} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 83 and name HN )) 3.063 1.173 1.173 peak 2620 weight 1.00000E+00 volume 3.22500E+07 ppm1 7.016 ppm2 8.137 ASSI { 3800} (( segid " A" and resid 81 and name HA )) (( segid " A" and resid 84 and name HB1 )) 2.509 0.787 0.787 peak 3800 weight 1.00000E+00 volume 2.24600E+06 ppm1 1.947 ppm2 4.470 ASSI { 3801} (( segid " A" and resid 81 and name HA )) (( segid " A" and resid 84 and name HB2 )) 2.768 0.957 0.957 peak 3801 weight 1.00000E+00 volume 1.24600E+06 ppm1 2.010 ppm2 4.480 ASSI { 2621} (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 84 and name HN )) 3.313 1.372 1.372 peak 2621 weight 1.00000E+00 volume 2.01400E+07 ppm1 7.015 ppm2 7.233 ASSI { 3045} ( segid " A" and resid 82 and name HD2#) ( segid " A" and resid 77 and name HD# ) 2.113 0.558 0.558 peak 3045 weight 1.00000E+00 volume 6.28325E+06 ppm1 0.762 ppm2 6.839 ASSI { 2630} (( segid " A" and resid 82 and name HN )) (( segid " A" and resid 77 and name HA )) 3.481 1.514 1.514 peak 2630 weight 1.00000E+00 volume 1.49800E+07 ppm1 8.336 ppm2 4.936 ASSI { 3785} ( segid " A" and resid 82 and name HD1#) (( segid " A" and resid 79 and name HA )) 2.236 0.625 0.625 peak 3785 weight 1.00000E+00 volume 4.48400E+06 ppm1 0.603 ppm2 3.735 ASSI { 1769} (( segid " A" and resid 82 and name HB2 )) (( segid " A" and resid 79 and name HN )) 3.123 1.219 1.219 peak 1769 weight 1.00000E+00 volume 2.86949E+07 ppm1 11.652 ppm2 1.210 OR { 1769} (( segid " A" and resid 78 and name HG2 )) (( segid " A" and resid 79 and name HN )) ASSI { 1770} ( segid " A" and resid 82 and name HD1#) (( segid " A" and resid 79 and name HN )) 3.131 1.226 1.226 peak 1770 weight 1.00000E+00 volume 2.82642E+07 ppm1 11.646 ppm2 0.623 OR { 1770} ( segid " A" and resid 104 and name HD1#) (( segid " A" and resid 79 and name HN )) ASSI { 2616} (( segid " A" and resid 82 and name HB2 )) (( segid " A" and resid 80 and name HN )) 3.524 1.552 1.552 peak 2616 weight 1.00000E+00 volume 1.39200E+07 ppm1 8.850 ppm2 1.950 ASSI { 599} ( segid " A" and resid 82 and name HD2#) ( segid " A" and resid 82 and name HD1#) 1.763 0.388 0.388 peak 599 weight 1.00000E+00 volume 1.36214E+07 ppm1 0.799 ppm2 0.622 ASSI { 1761} (( segid " A" and resid 82 and name HB2 )) (( segid " A" and resid 82 and name HB1 )) 2.511 0.788 0.788 peak 1761 weight 1.00000E+00 volume 1.84536E+06 ppm1 1.970 ppm2 1.263 ASSI { 1763} ( segid " A" and resid 82 and name HD1#) (( segid " A" and resid 82 and name HB2 )) 2.269 0.643 0.643 peak 1763 weight 1.00000E+00 volume 2.77076E+06 ppm1 1.260 ppm2 0.628 ASSI { 1765} (( segid " A" and resid 82 and name HB1 )) (( segid " A" and resid 82 and name HA )) 2.664 0.887 0.887 peak 1765 weight 1.00000E+00 volume 1.56772E+06 ppm1 1.970 ppm2 3.759 ASSI { 1766} (( segid " A" and resid 82 and name HB2 )) (( segid " A" and resid 82 and name HA )) 2.825 0.997 0.997 peak 1766 weight 1.00000E+00 volume 1.10176E+06 ppm1 1.253 ppm2 3.754 ASSI { 2634} (( segid " A" and resid 82 and name HB2 )) (( segid " A" and resid 82 and name HN )) 2.610 0.852 0.852 peak 2634 weight 1.00000E+00 volume 8.42200E+07 ppm1 8.338 ppm2 1.955 ASSI { 1764} ( segid " A" and resid 82 and name HD1#) (( segid " A" and resid 82 and name HB1 )) 2.419 0.732 0.732 peak 1764 weight 1.00000E+00 volume 2.79206E+06 ppm1 1.975 ppm2 0.632 ASSI { 1784} (( segid " A" and resid 82 and name HN )) (( segid " A" and resid 82 and name HG )) 2.762 0.953 0.953 peak 1784 weight 1.00000E+00 volume 1.26198E+06 ppm1 1.736 ppm2 8.333 ASSI { 1775} ( segid " A" and resid 82 and name HD1#) (( segid " A" and resid 82 and name HG )) 2.313 0.669 0.669 peak 1775 weight 1.00000E+00 volume 3.65978E+06 ppm1 0.603 ppm2 1.746 ASSI { 1788} ( segid " A" and resid 82 and name HD2#) (( segid " A" and resid 82 and name HG )) 2.552 0.814 0.814 peak 1788 weight 1.00000E+00 volume 2.02742E+06 ppm1 1.737 ppm2 0.747 ASSI { 3787} (( segid " A" and resid 82 and name HA )) (( segid " A" and resid 82 and name HG )) 2.888 1.042 1.042 peak 3787 weight 1.00000E+00 volume 9.65100E+05 ppm1 1.732 ppm2 3.745 ASSI { 1191} ( segid " A" and resid 82 and name HD1#) (( segid " A" and resid 82 and name HN )) 2.558 0.818 0.818 peak 1191 weight 1.00000E+00 volume 9.51118E+07 ppm1 8.339 ppm2 0.597 ASSI { 2631} (( segid " A" and resid 82 and name HA )) (( segid " A" and resid 82 and name HN )) 2.491 0.776 0.776 peak 2631 weight 1.00000E+00 volume 1.11400E+08 ppm1 8.339 ppm2 3.736 ASSI { 2636} ( segid " A" and resid 82 and name HD2#) (( segid " A" and resid 82 and name HN )) 2.587 0.837 0.837 peak 2636 weight 1.00000E+00 volume 8.88000E+07 ppm1 8.338 ppm2 0.733 ASSI { 3786} ( segid " A" and resid 82 and name HD1#) (( segid " A" and resid 83 and name HN )) 2.939 1.080 1.080 peak 3786 weight 1.00000E+00 volume 8.68500E+05 ppm1 0.604 ppm2 8.131 ASSI { 7} (( segid " A" and resid 82 and name HN )) (( segid " A" and resid 83 and name HN )) 2.774 0.962 0.962 peak 7 weight 1.00000E+00 volume 5.84080E+07 ppm1 8.337 ppm2 8.138 ASSI { 2639} (( segid " A" and resid 82 and name HB2 )) (( segid " A" and resid 83 and name HN )) 2.068 0.535 0.535 peak 2639 weight 1.00000E+00 volume 3.40400E+08 ppm1 8.158 ppm2 1.952 ASSI { 2649} (( segid " A" and resid 82 and name HB2 )) (( segid " A" and resid 86 and name HN )) 3.366 1.416 1.416 peak 2649 weight 1.00000E+00 volume 1.83200E+07 ppm1 8.274 ppm2 1.179 OR { 2649} (( segid " A" and resid 86 and name HN )) (( segid " A" and resid 98 and name HG12)) ASSI { 1984} (( segid " A" and resid 82 and name HA )) ( segid " A" and resid 88 and name HG2#) 2.633 0.867 0.867 peak 1984 weight 1.00000E+00 volume 1.68006E+06 ppm1 0.690 ppm2 3.726 ASSI { 3887} (( segid " A" and resid 82 and name HB1 )) ( segid " A" and resid 98 and name HD1#) 2.773 0.961 0.961 peak 3887 weight 1.00000E+00 volume 1.23100E+06 ppm1 0.554 ppm2 1.924 ASSI { 3894} (( segid " A" and resid 82 and name HB1 )) ( segid " A" and resid 98 and name HG2#) 2.268 0.643 0.643 peak 3894 weight 1.00000E+00 volume 4.10900E+06 ppm1 0.695 ppm2 1.979 ASSI { 2375} (( segid " A" and resid 82 and name HB1 )) ( segid " A" and resid 104 and name HD2#) 2.402 0.721 0.721 peak 2375 weight 1.00000E+00 volume 2.91623E+06 ppm1 0.723 ppm2 1.955 ASSI { 3911} (( segid " A" and resid 82 and name HB2 )) ( segid " A" and resid 104 and name HD1#) 2.576 0.830 0.830 peak 3911 weight 1.00000E+00 volume 1.91400E+06 ppm1 0.627 ppm2 1.983 ASSI { 1791} (( segid " A" and resid 83 and name HA )) (( segid " A" and resid 83 and name HG1 )) 2.270 0.644 0.644 peak 1791 weight 1.00000E+00 volume 4.09434E+06 ppm1 3.741 ppm2 1.442 ASSI { 1795} (( segid " A" and resid 83 and name HG1 )) (( segid " A" and resid 83 and name HB2 )) 2.112 0.558 0.558 peak 1795 weight 1.00000E+00 volume 6.30063E+06 ppm1 1.825 ppm2 1.439 ASSI { 1801} (( segid " A" and resid 83 and name HA )) (( segid " A" and resid 83 and name HB2 )) 2.271 0.645 0.645 peak 1801 weight 1.00000E+00 volume 4.08201E+06 ppm1 1.825 ppm2 3.733 ASSI { 1806} (( segid " A" and resid 83 and name HB2 )) (( segid " A" and resid 83 and name HN )) 2.275 0.647 0.647 peak 1806 weight 1.00000E+00 volume 4.04274E+06 ppm1 1.825 ppm2 8.142 ASSI { 937} (( segid " A" and resid 83 and name HB1 )) (( segid " A" and resid 83 and name HN )) 2.297 0.659 0.659 peak 937 weight 1.00000E+00 volume 6.37880E+07 ppm1 8.145 ppm2 1.752 ASSI { 1814} ( segid " A" and resid 83 and name HD# ) ( segid " A" and resid 83 and name HE# ) 1.976 0.488 0.488 peak 1814 weight 1.00000E+00 volume 9.39151E+06 ppm1 1.680 ppm2 2.929 ASSI { 1810} ( segid " A" and resid 83 and name HG# ) ( segid " A" and resid 83 and name HD# ) 1.747 0.382 0.382 peak 1810 weight 1.00000E+00 volume 1.96805E+07 ppm1 1.675 ppm2 1.435 ASSI { 1821} ( segid " A" and resid 83 and name HG# ) ( segid " A" and resid 83 and name HE# ) 2.387 0.712 0.712 peak 1821 weight 1.00000E+00 volume 3.02700E+06 ppm1 1.426 ppm2 2.942 ASSI { 936} ( segid " A" and resid 83 and name HG# ) (( segid " A" and resid 83 and name HN )) 3.182 1.266 1.266 peak 936 weight 1.00000E+00 volume 2.56570E+07 ppm1 8.150 ppm2 1.425 ASSI { 938} (( segid " A" and resid 83 and name HA )) (( segid " A" and resid 83 and name HN )) 2.933 1.075 1.075 peak 938 weight 1.00000E+00 volume 4.18260E+07 ppm1 8.148 ppm2 3.733 ASSI { 939} (( segid " A" and resid 83 and name HA )) (( segid " A" and resid 85 and name HN )) 2.971 1.104 1.104 peak 939 weight 1.00000E+00 volume 3.87017E+07 ppm1 8.107 ppm2 3.731 ASSI { 2646} (( segid " A" and resid 83 and name HB1 )) (( segid " A" and resid 86 and name HN )) 3.480 1.513 1.513 peak 2646 weight 1.00000E+00 volume 1.50100E+07 ppm1 8.274 ppm2 1.772 ASSI { 2648} ( segid " A" and resid 83 and name HG# ) (( segid " A" and resid 86 and name HN )) 3.152 1.242 1.242 peak 2648 weight 1.00000E+00 volume 2.71800E+07 ppm1 8.281 ppm2 1.412 ASSI { 3794} (( segid " A" and resid 83 and name HG1 )) ( segid " A" and resid 98 and name HG2#) 2.156 0.581 0.581 peak 3794 weight 1.00000E+00 volume 5.57600E+06 ppm1 1.428 ppm2 0.715 ASSI { 1792} (( segid " A" and resid 83 and name HA )) ( segid " A" and resid 98 and name HG2#) 2.125 0.564 0.564 peak 1792 weight 1.00000E+00 volume 4.82652E+06 ppm1 3.740 ppm2 0.695 ASSI { 2641} (( segid " A" and resid 83 and name HN )) ( segid " A" and resid 98 and name HD1#) 3.357 1.408 1.408 peak 2641 weight 1.00000E+00 volume 1.86200E+07 ppm1 8.153 ppm2 0.511 ASSI { 2374} (( segid " A" and resid 83 and name HD1 )) ( segid " A" and resid 104 and name HD2#) 2.091 0.547 0.547 peak 2374 weight 1.00000E+00 volume 6.69742E+06 ppm1 0.723 ppm2 1.703 ASSI { 2446} ( segid " A" and resid 83 and name HE# ) ( segid " A" and resid 104 and name HD2#) 2.472 0.764 0.764 peak 2446 weight 1.00000E+00 volume 2.45218E+06 ppm1 2.976 ppm2 0.711 OR { 2446} (( segid " A" and resid 96 and name HG11)) ( segid " A" and resid 107 and name HE# ) ASSI { 3790} (( segid " A" and resid 83 and name HB2 )) ( segid " A" and resid 104 and name HD2#) 2.367 0.700 0.700 peak 3790 weight 1.00000E+00 volume 3.18700E+06 ppm1 1.833 ppm2 0.730 ASSI { 1809} (( segid " A" and resid 84 and name HN )) (( segid " A" and resid 83 and name HB1 )) 2.656 0.882 0.882 peak 1809 weight 1.00000E+00 volume 1.59564E+06 ppm1 1.747 ppm2 7.217 ASSI { 3795} (( segid " A" and resid 84 and name HN )) ( segid " A" and resid 83 and name HG# ) 2.780 0.966 0.966 peak 3795 weight 1.00000E+00 volume 1.21300E+06 ppm1 1.430 ppm2 7.270 ASSI { 1422} (( segid " A" and resid 84 and name HB1 )) (( segid " A" and resid 84 and name HN )) 2.279 0.649 0.649 peak 1422 weight 1.00000E+00 volume 3.99230E+06 ppm1 1.944 ppm2 7.239 ASSI { 1827} (( segid " A" and resid 84 and name HG1 )) (( segid " A" and resid 84 and name HA )) 2.297 0.659 0.659 peak 1827 weight 1.00000E+00 volume 3.81500E+06 ppm1 4.036 ppm2 1.706 ASSI { 1830} (( segid " A" and resid 84 and name HD1 )) (( segid " A" and resid 84 and name HA )) 2.784 0.969 0.969 peak 1830 weight 1.00000E+00 volume 1.20115E+06 ppm1 4.035 ppm2 3.248 ASSI { 1832} (( segid " A" and resid 84 and name HN )) (( segid " A" and resid 84 and name HA )) 2.277 0.648 0.648 peak 1832 weight 1.00000E+00 volume 4.01531E+06 ppm1 4.033 ppm2 7.236 ASSI { 1842} (( segid " A" and resid 84 and name HB2 )) (( segid " A" and resid 84 and name HG2 )) 2.278 0.648 0.648 peak 1842 weight 1.00000E+00 volume 4.00982E+06 ppm1 2.014 ppm2 1.564 ASSI { 1845} (( segid " A" and resid 84 and name HB2 )) (( segid " A" and resid 84 and name HA )) 2.436 0.742 0.742 peak 1845 weight 1.00000E+00 volume 2.67975E+06 ppm1 2.019 ppm2 4.027 ASSI { 1846} (( segid " A" and resid 84 and name HB1 )) (( segid " A" and resid 84 and name HA )) 2.245 0.630 0.630 peak 1846 weight 1.00000E+00 volume 4.36831E+06 ppm1 1.948 ppm2 4.033 ASSI { 1851} (( segid " A" and resid 84 and name HB2 )) (( segid " A" and resid 84 and name HN )) 2.386 0.712 0.712 peak 1851 weight 1.00000E+00 volume 3.03175E+06 ppm1 2.015 ppm2 7.243 ASSI { 1856} (( segid " A" and resid 84 and name HD1 )) (( segid " A" and resid 84 and name HD2 )) 1.621 0.329 0.329 peak 1856 weight 1.00000E+00 volume 3.08443E+07 ppm1 3.319 ppm2 3.222 ASSI { 1860} (( segid " A" and resid 84 and name HD2 )) (( segid " A" and resid 84 and name HG1 )) 2.152 0.579 0.579 peak 1860 weight 1.00000E+00 volume 5.63558E+06 ppm1 3.320 ppm2 1.729 ASSI { 1861} (( segid " A" and resid 84 and name HD1 )) (( segid " A" and resid 84 and name HG1 )) 2.143 0.574 0.574 peak 1861 weight 1.00000E+00 volume 5.77656E+06 ppm1 3.227 ppm2 1.737 ASSI { 1862} (( segid " A" and resid 84 and name HB1 )) (( segid " A" and resid 84 and name HD1 )) 2.151 0.578 0.578 peak 1862 weight 1.00000E+00 volume 5.65616E+06 ppm1 3.220 ppm2 1.946 ASSI { 1863} (( segid " A" and resid 84 and name HB1 )) (( segid " A" and resid 84 and name HD2 )) 2.383 0.710 0.710 peak 1863 weight 1.00000E+00 volume 3.05994E+06 ppm1 3.318 ppm2 1.948 ASSI { 1868} (( segid " A" and resid 84 and name HG2 )) (( segid " A" and resid 84 and name HG1 )) 1.792 0.401 0.401 peak 1868 weight 1.00000E+00 volume 1.45390E+07 ppm1 1.728 ppm2 1.566 ASSI { 1871} (( segid " A" and resid 84 and name HB1 )) (( segid " A" and resid 84 and name HG1 )) 2.133 0.569 0.569 peak 1871 weight 1.00000E+00 volume 5.94919E+06 ppm1 1.731 ppm2 1.951 ASSI { 1872} (( segid " A" and resid 84 and name HB1 )) (( segid " A" and resid 84 and name HG2 )) 2.108 0.556 0.556 peak 1872 weight 1.00000E+00 volume 6.37185E+06 ppm1 1.562 ppm2 1.968 ASSI { 1859} (( segid " A" and resid 84 and name HD2 )) (( segid " A" and resid 84 and name HG2 )) 2.111 0.557 0.557 peak 1859 weight 1.00000E+00 volume 5.04310E+06 ppm1 3.318 ppm2 1.554 ASSI { 1828} (( segid " A" and resid 84 and name HG2 )) (( segid " A" and resid 84 and name HA )) 2.355 0.693 0.693 peak 1828 weight 1.00000E+00 volume 3.27908E+06 ppm1 4.036 ppm2 1.582 ASSI { 1877} (( segid " A" and resid 84 and name HN )) (( segid " A" and resid 84 and name HG1 )) 2.749 0.945 0.945 peak 1877 weight 1.00000E+00 volume 1.29690E+06 ppm1 1.724 ppm2 7.227 ASSI { 3798} (( segid " A" and resid 84 and name HA )) (( segid " A" and resid 85 and name HN )) 2.619 0.857 0.857 peak 3798 weight 1.00000E+00 volume 1.73600E+06 ppm1 4.030 ppm2 8.127 ASSI { 274} (( segid " A" and resid 84 and name HN )) (( segid " A" and resid 85 and name HN )) 2.737 0.936 0.936 peak 274 weight 1.00000E+00 volume 6.33693E+07 ppm1 8.107 ppm2 7.234 ASSI { 443} (( segid " A" and resid 84 and name HB1 )) (( segid " A" and resid 85 and name HN )) 2.343 0.686 0.686 peak 443 weight 1.00000E+00 volume 1.60910E+08 ppm1 8.105 ppm2 1.918 ASSI { 1002} (( segid " A" and resid 84 and name HB2 )) (( segid " A" and resid 85 and name HN )) 2.343 0.686 0.686 peak 1002 weight 1.00000E+00 volume 1.60910E+08 ppm1 8.108 ppm2 2.032 ASSI { 1882} (( segid " A" and resid 85 and name HA )) (( segid " A" and resid 85 and name HG1 )) 2.252 0.634 0.634 peak 1882 weight 1.00000E+00 volume 4.28907E+06 ppm1 4.103 ppm2 2.466 ASSI { 1883} (( segid " A" and resid 85 and name HB2 )) (( segid " A" and resid 85 and name HA )) 2.287 0.654 0.654 peak 1883 weight 1.00000E+00 volume 3.91738E+06 ppm1 4.102 ppm2 2.239 ASSI { 1892} (( segid " A" and resid 85 and name HB1 )) (( segid " A" and resid 85 and name HB2 )) 2.003 0.501 0.501 peak 1892 weight 1.00000E+00 volume 8.67959E+06 ppm1 2.257 ppm2 1.948 ASSI { 1899} (( segid " A" and resid 85 and name HB1 )) (( segid " A" and resid 85 and name HA )) 2.741 0.939 0.939 peak 1899 weight 1.00000E+00 volume 1.32148E+06 ppm1 1.940 ppm2 4.095 ASSI { 2638} (( segid " A" and resid 85 and name HB2 )) (( segid " A" and resid 85 and name HN )) 2.729 0.931 0.931 peak 2638 weight 1.00000E+00 volume 6.18900E+07 ppm1 8.107 ppm2 2.251 ASSI { 1852} (( segid " A" and resid 85 and name HB1 )) (( segid " A" and resid 85 and name HN )) 2.350 0.690 0.690 peak 1852 weight 1.00000E+00 volume 3.32146E+06 ppm1 1.936 ppm2 8.082 ASSI { 1904} (( segid " A" and resid 85 and name HG2 )) (( segid " A" and resid 85 and name HG1 )) 1.977 0.489 0.489 peak 1904 weight 1.00000E+00 volume 8.98645E+06 ppm1 2.478 ppm2 2.631 ASSI { 1896} (( segid " A" and resid 85 and name HB2 )) (( segid " A" and resid 85 and name HG1 )) 2.295 0.658 0.658 peak 1896 weight 1.00000E+00 volume 2.30473E+06 ppm1 2.262 ppm2 2.455 ASSI { 1894} (( segid " A" and resid 85 and name HB2 )) (( segid " A" and resid 85 and name HG2 )) 2.451 0.751 0.751 peak 1894 weight 1.00000E+00 volume 1.68697E+06 ppm1 2.259 ppm2 2.622 ASSI { 1895} (( segid " A" and resid 85 and name HB1 )) (( segid " A" and resid 85 and name HG2 )) 2.460 0.756 0.756 peak 1895 weight 1.00000E+00 volume 1.56744E+06 ppm1 1.947 ppm2 2.640 ASSI { 1897} (( segid " A" and resid 85 and name HB1 )) (( segid " A" and resid 85 and name HG1 )) 2.289 0.655 0.655 peak 1897 weight 1.00000E+00 volume 1.14550E+06 ppm1 1.935 ppm2 2.459 ASSI { 1881} (( segid " A" and resid 85 and name HA )) (( segid " A" and resid 85 and name HG2 )) 2.357 0.695 0.695 peak 1881 weight 1.00000E+00 volume 3.26291E+06 ppm1 4.104 ppm2 2.652 ASSI { 945} (( segid " A" and resid 85 and name HN )) (( segid " A" and resid 85 and name HG2 )) 2.603 0.847 0.847 peak 945 weight 1.00000E+00 volume 8.56987E+07 ppm1 8.107 ppm2 2.612 ASSI { 444} (( segid " A" and resid 85 and name HN )) (( segid " A" and resid 85 and name HA )) 2.618 0.857 0.857 peak 444 weight 1.00000E+00 volume 8.26625E+07 ppm1 8.107 ppm2 4.076 ASSI { 944} (( segid " A" and resid 85 and name HN )) (( segid " A" and resid 85 and name HG1 )) 2.752 0.946 0.946 peak 944 weight 1.00000E+00 volume 6.02785E+07 ppm1 8.108 ppm2 2.462 ASSI { 238} (( segid " A" and resid 85 and name HN )) (( segid " A" and resid 86 and name HN )) 2.428 0.737 0.737 peak 238 weight 1.00000E+00 volume 1.30170E+08 ppm1 8.274 ppm2 8.103 ASSI { 943} (( segid " A" and resid 85 and name HG2 )) (( segid " A" and resid 86 and name HN )) 3.060 1.171 1.171 peak 943 weight 1.00000E+00 volume 3.24194E+07 ppm1 8.274 ppm2 2.616 ASSI { 2643} (( segid " A" and resid 85 and name HA )) (( segid " A" and resid 86 and name HN )) 2.704 0.914 0.914 peak 2643 weight 1.00000E+00 volume 6.51400E+07 ppm1 8.273 ppm2 4.073 ASSI { 2644} (( segid " A" and resid 85 and name HB2 )) (( segid " A" and resid 86 and name HN )) 2.719 0.924 0.924 peak 2644 weight 1.00000E+00 volume 6.59300E+07 ppm1 8.273 ppm2 2.244 ASSI { 2645} (( segid " A" and resid 85 and name HB1 )) (( segid " A" and resid 86 and name HN )) 2.534 0.802 0.802 peak 2645 weight 1.00000E+00 volume 1.00700E+08 ppm1 8.274 ppm2 1.937 ASSI { 2652} (( segid " A" and resid 85 and name HB2 )) (( segid " A" and resid 87 and name HN )) 2.476 0.767 0.767 peak 2652 weight 1.00000E+00 volume 1.15500E+08 ppm1 7.355 ppm2 2.244 ASSI { 2653} (( segid " A" and resid 85 and name HB1 )) (( segid " A" and resid 87 and name HN )) 2.547 0.811 0.811 peak 2653 weight 1.00000E+00 volume 9.76500E+07 ppm1 7.355 ppm2 1.939 ASSI { 1916} (( segid " A" and resid 86 and name HA1 )) (( segid " A" and resid 86 and name HA2 )) 2.065 0.533 0.533 peak 1916 weight 1.00000E+00 volume 7.21682E+06 ppm1 4.286 ppm2 3.674 ASSI { 771} (( segid " A" and resid 86 and name HN )) (( segid " A" and resid 86 and name HA1 )) 2.301 0.662 0.662 peak 771 weight 1.00000E+00 volume 1.79432E+08 ppm1 8.275 ppm2 4.266 ASSI { 772} (( segid " A" and resid 86 and name HN )) (( segid " A" and resid 86 and name HA2 )) 2.216 0.614 0.614 peak 772 weight 1.00000E+00 volume 2.24746E+08 ppm1 8.274 ppm2 3.663 ASSI { 241} (( segid " A" and resid 86 and name HN )) (( segid " A" and resid 87 and name HN )) 2.594 0.841 0.841 peak 241 weight 1.00000E+00 volume 6.72069E+07 ppm1 8.273 ppm2 7.355 ASSI { 613} (( segid " A" and resid 86 and name HA1 )) (( segid " A" and resid 87 and name HN )) 2.498 0.780 0.780 peak 613 weight 1.00000E+00 volume 1.09625E+08 ppm1 7.355 ppm2 4.265 ASSI { 614} (( segid " A" and resid 86 and name HA2 )) (( segid " A" and resid 87 and name HN )) 2.607 0.850 0.850 peak 614 weight 1.00000E+00 volume 8.47722E+07 ppm1 7.355 ppm2 3.665 ASSI { 2642} (( segid " A" and resid 86 and name HN )) (( segid " A" and resid 87 and name HA )) 3.508 1.538 1.538 peak 2642 weight 1.00000E+00 volume 1.42900E+07 ppm1 8.272 ppm2 4.977 ASSI { 2208} (( segid " A" and resid 86 and name HA1 )) (( segid " A" and resid 98 and name HB )) 2.838 1.007 1.007 peak 2208 weight 1.00000E+00 volume 1.07208E+06 ppm1 1.625 ppm2 4.287 ASSI { 3886} (( segid " A" and resid 86 and name HA2 )) (( segid " A" and resid 98 and name HB )) 2.492 0.776 0.776 peak 3886 weight 1.00000E+00 volume 2.34000E+06 ppm1 1.627 ppm2 3.682 ASSI { 1917} (( segid " A" and resid 86 and name HA1 )) (( segid " A" and resid 98 and name HN )) 3.180 1.264 1.264 peak 1917 weight 1.00000E+00 volume 2.57731E+07 ppm1 8.086 ppm2 4.269 ASSI { 2647} (( segid " A" and resid 86 and name HN )) (( segid " A" and resid 98 and name HB )) 2.756 0.950 0.950 peak 2647 weight 1.00000E+00 volume 6.07500E+07 ppm1 8.274 ppm2 1.607 ASSI { 2708} (( segid " A" and resid 86 and name HA2 )) (( segid " A" and resid 98 and name HN )) 3.039 1.154 1.154 peak 2708 weight 1.00000E+00 volume 3.38400E+07 ppm1 8.084 ppm2 3.677 ASSI { 1920} (( segid " A" and resid 87 and name HA )) (( segid " A" and resid 87 and name HB )) 2.144 0.575 0.575 peak 1920 weight 1.00000E+00 volume 5.76392E+06 ppm1 4.976 ppm2 1.854 ASSI { 1923} (( segid " A" and resid 87 and name HB )) (( segid " A" and resid 87 and name HG12)) 2.321 0.673 0.673 peak 1923 weight 1.00000E+00 volume 3.53233E+06 ppm1 1.839 ppm2 1.406 ASSI { 1930} (( segid " A" and resid 87 and name HG11)) ( segid " A" and resid 87 and name HD1#) 1.708 0.365 0.365 peak 1930 weight 1.00000E+00 volume 2.25663E+07 ppm1 0.837 ppm2 1.022 ASSI { 1932} (( segid " A" and resid 87 and name HG12)) ( segid " A" and resid 87 and name HD1#) 1.843 0.425 0.425 peak 1932 weight 1.00000E+00 volume 1.42844E+07 ppm1 0.836 ppm2 1.388 ASSI { 1933} (( segid " A" and resid 87 and name HB )) ( segid " A" and resid 87 and name HD1#) 1.966 0.483 0.483 peak 1933 weight 1.00000E+00 volume 9.70410E+06 ppm1 0.837 ppm2 1.836 ASSI { 1942} (( segid " A" and resid 87 and name HG12)) (( segid " A" and resid 87 and name HG11)) 1.879 0.441 0.441 peak 1942 weight 1.00000E+00 volume 1.27059E+07 ppm1 1.401 ppm2 1.035 ASSI { 1924} (( segid " A" and resid 87 and name HB )) (( segid " A" and resid 87 and name HG11)) 2.376 0.706 0.706 peak 1924 weight 1.00000E+00 volume 3.11382E+06 ppm1 1.842 ppm2 1.027 ASSI { 1950} (( segid " A" and resid 87 and name HA )) (( segid " A" and resid 87 and name HG12)) 2.464 0.759 0.759 peak 1950 weight 1.00000E+00 volume 2.50068E+06 ppm1 1.399 ppm2 4.960 ASSI { 1951} (( segid " A" and resid 87 and name HA )) (( segid " A" and resid 87 and name HG11)) 2.805 0.983 0.983 peak 1951 weight 1.00000E+00 volume 1.15048E+06 ppm1 1.028 ppm2 4.979 ASSI { 1958} (( segid " A" and resid 87 and name HG11)) ( segid " A" and resid 87 and name HG2#) 1.878 0.441 0.441 peak 1958 weight 1.00000E+00 volume 1.27674E+07 ppm1 0.777 ppm2 1.024 ASSI { 1925} (( segid " A" and resid 87 and name HB )) ( segid " A" and resid 87 and name HG2#) 1.922 0.462 0.462 peak 1925 weight 1.00000E+00 volume 1.10946E+07 ppm1 1.842 ppm2 0.803 ASSI { 1966} (( segid " A" and resid 87 and name HA )) ( segid " A" and resid 87 and name HG2#) 2.350 0.690 0.690 peak 1966 weight 1.00000E+00 volume 3.32377E+06 ppm1 0.780 ppm2 4.976 ASSI { 773} (( segid " A" and resid 87 and name HA )) (( segid " A" and resid 87 and name HN )) 2.421 0.733 0.733 peak 773 weight 1.00000E+00 volume 1.32132E+08 ppm1 7.355 ppm2 4.971 ASSI { 774} (( segid " A" and resid 87 and name HB )) (( segid " A" and resid 87 and name HN )) 2.406 0.723 0.723 peak 774 weight 1.00000E+00 volume 1.37414E+08 ppm1 7.355 ppm2 1.837 ASSI { 948} ( segid " A" and resid 87 and name HG2#) (( segid " A" and resid 87 and name HN )) 2.199 0.604 0.604 peak 948 weight 1.00000E+00 volume 2.35881E+08 ppm1 7.355 ppm2 0.766 ASSI { 1988} (( segid " A" and resid 87 and name HA )) ( segid " A" and resid 88 and name HG2#) 2.653 0.880 0.880 peak 1988 weight 1.00000E+00 volume 1.60619E+06 ppm1 0.690 ppm2 4.967 ASSI { 2536} (( segid " A" and resid 87 and name HN )) ( segid " A" and resid 88 and name HG2#) 2.733 0.934 0.934 peak 2536 weight 1.00000E+00 volume 1.34263E+06 ppm1 0.736 ppm2 7.343 ASSI { 2661} (( segid " A" and resid 87 and name HG12)) (( segid " A" and resid 88 and name HN )) 2.497 0.779 0.779 peak 2661 weight 1.00000E+00 volume 1.06500E+08 ppm1 8.038 ppm2 1.383 ASSI { 3823} ( segid " A" and resid 87 and name HG2#) (( segid " A" and resid 88 and name HA )) 2.481 0.770 0.770 peak 3823 weight 1.00000E+00 volume 2.39800E+06 ppm1 0.781 ppm2 4.656 ASSI { 2000} (( segid " A" and resid 87 and name HA )) ( segid " A" and resid 88 and name HG1#) 2.464 0.759 0.759 peak 2000 weight 1.00000E+00 volume 2.50286E+06 ppm1 0.799 ppm2 4.990 ASSI { 248} (( segid " A" and resid 87 and name HN )) (( segid " A" and resid 88 and name HN )) 3.111 1.210 1.210 peak 248 weight 1.00000E+00 volume 2.93656E+07 ppm1 8.038 ppm2 7.343 ASSI { 541} (( segid " A" and resid 87 and name HA )) (( segid " A" and resid 88 and name HN )) 2.148 0.577 0.577 peak 541 weight 1.00000E+00 volume 2.71429E+08 ppm1 8.038 ppm2 4.971 ASSI { 777} (( segid " A" and resid 87 and name HN )) (( segid " A" and resid 88 and name HA )) 3.692 1.704 1.704 peak 777 weight 1.00000E+00 volume 1.05216E+07 ppm1 7.352 ppm2 4.624 ASSI { 949} ( segid " A" and resid 87 and name HG2#) (( segid " A" and resid 88 and name HN )) 2.182 0.595 0.595 peak 949 weight 1.00000E+00 volume 2.47033E+08 ppm1 8.037 ppm2 0.782 ASSI { 1837} (( segid " A" and resid 87 and name HG11)) (( segid " A" and resid 88 and name HN )) 2.596 0.843 0.843 peak 1837 weight 1.00000E+00 volume 7.71026E+07 ppm1 8.040 ppm2 1.016 ASSI { 2140} ( segid " A" and resid 87 and name HD1#) (( segid " A" and resid 95 and name HB )) 2.191 0.600 0.600 peak 2140 weight 1.00000E+00 volume 2.91598E+06 ppm1 4.127 ppm2 0.816 ASSI { 3813} (( segid " A" and resid 87 and name HG12)) (( segid " A" and resid 95 and name HB )) 3.013 1.135 1.135 peak 3813 weight 1.00000E+00 volume 7.48800E+05 ppm1 1.403 ppm2 4.127 ASSI { 3814} (( segid " A" and resid 87 and name HG11)) (( segid " A" and resid 95 and name HB )) 2.472 0.764 0.764 peak 3814 weight 1.00000E+00 volume 2.45100E+06 ppm1 1.031 ppm2 4.118 ASSI { 2700} (( segid " A" and resid 87 and name HG12)) (( segid " A" and resid 96 and name HN )) 2.997 1.123 1.123 peak 2700 weight 1.00000E+00 volume 2.91000E+07 ppm1 9.106 ppm2 1.383 ASSI { 2701} (( segid " A" and resid 87 and name HG11)) (( segid " A" and resid 96 and name HN )) 2.945 1.084 1.084 peak 2701 weight 1.00000E+00 volume 2.78000E+07 ppm1 9.106 ppm2 1.016 ASSI { 3810} ( segid " A" and resid 87 and name HD1#) (( segid " A" and resid 97 and name HA )) 2.381 0.708 0.708 peak 3810 weight 1.00000E+00 volume 3.07600E+06 ppm1 0.835 ppm2 4.852 ASSI { 3815} (( segid " A" and resid 87 and name HG12)) (( segid " A" and resid 97 and name HA )) 2.623 0.860 0.860 peak 3815 weight 1.00000E+00 volume 1.71900E+06 ppm1 1.397 ppm2 4.876 ASSI { 4194} ( segid " A" and resid 87 and name HD1#) ( segid " A" and resid 97 and name HG# ) 2.452 0.751 0.751 peak 4194 weight 1.00000E+00 volume 2.57655E+06 ppm1 0.843 ppm2 2.055 ASSI { 2651} (( segid " A" and resid 87 and name HN )) (( segid " A" and resid 97 and name HA )) 3.164 1.252 1.252 peak 2651 weight 1.00000E+00 volume 2.65300E+07 ppm1 7.357 ppm2 4.837 ASSI { 244} (( segid " A" and resid 87 and name HN )) (( segid " A" and resid 98 and name HN )) 2.649 0.877 0.877 peak 244 weight 1.00000E+00 volume 7.71220E+07 ppm1 7.354 ppm2 8.066 ASSI { 1828} (( segid " A" and resid 87 and name HN )) (( segid " A" and resid 98 and name HB )) 2.997 1.123 1.123 peak 1828 weight 1.00000E+00 volume 3.67389E+07 ppm1 7.354 ppm2 1.583 ASSI { 2655} (( segid " A" and resid 87 and name HN )) (( segid " A" and resid 98 and name HG11)) 3.111 1.210 1.210 peak 2655 weight 1.00000E+00 volume 2.93800E+07 ppm1 7.356 ppm2 1.247 ASSI { 2706} (( segid " A" and resid 87 and name HA )) (( segid " A" and resid 98 and name HN )) 2.582 0.833 0.833 peak 2706 weight 1.00000E+00 volume 8.98900E+07 ppm1 8.086 ppm2 4.971 ASSI { 1972} (( segid " A" and resid 88 and name HB )) (( segid " A" and resid 88 and name HA )) 2.349 0.690 0.690 peak 1972 weight 1.00000E+00 volume 3.32954E+06 ppm1 2.103 ppm2 4.631 ASSI { 1976} (( segid " A" and resid 88 and name HB )) ( segid " A" and resid 88 and name HG2#) 1.985 0.492 0.492 peak 1976 weight 1.00000E+00 volume 7.02201E+06 ppm1 2.107 ppm2 0.695 ASSI { 1987} (( segid " A" and resid 88 and name HA )) ( segid " A" and resid 88 and name HG2#) 2.111 0.557 0.557 peak 1987 weight 1.00000E+00 volume 6.32340E+06 ppm1 0.692 ppm2 4.638 ASSI { 1975} (( segid " A" and resid 88 and name HB )) ( segid " A" and resid 88 and name HG1#) 2.021 0.511 0.511 peak 1975 weight 1.00000E+00 volume 5.29817E+06 ppm1 2.107 ppm2 0.804 ASSI { 1999} (( segid " A" and resid 88 and name HA )) ( segid " A" and resid 88 and name HG1#) 2.462 0.757 0.757 peak 1999 weight 1.00000E+00 volume 2.51637E+06 ppm1 0.803 ppm2 4.637 ASSI { 2003} (( segid " A" and resid 88 and name HN )) ( segid " A" and resid 88 and name HG1#) 2.173 0.590 0.590 peak 2003 weight 1.00000E+00 volume 5.31857E+06 ppm1 0.801 ppm2 8.038 ASSI { 775} (( segid " A" and resid 88 and name HN )) (( segid " A" and resid 88 and name HA )) 2.640 0.871 0.871 peak 775 weight 1.00000E+00 volume 7.86076E+07 ppm1 8.038 ppm2 4.621 ASSI { 776} (( segid " A" and resid 88 and name HN )) (( segid " A" and resid 88 and name HB )) 2.902 1.053 1.053 peak 776 weight 1.00000E+00 volume 4.46239E+07 ppm1 8.039 ppm2 2.091 ASSI { 952} (( segid " A" and resid 88 and name HN )) ( segid " A" and resid 88 and name HG1#) 2.209 0.610 0.610 peak 952 weight 1.00000E+00 volume 2.29196E+08 ppm1 8.036 ppm2 0.803 OR { 952} ( segid " A" and resid 87 and name HG2#) (( segid " A" and resid 88 and name HN )) ASSI { 2662} (( segid " A" and resid 88 and name HN )) ( segid " A" and resid 88 and name HG2#) 2.499 0.781 0.781 peak 2662 weight 1.00000E+00 volume 1.07000E+08 ppm1 8.039 ppm2 0.701 ASSI { 542} (( segid " A" and resid 88 and name HB )) (( segid " A" and resid 89 and name HN )) 2.341 0.685 0.685 peak 542 weight 1.00000E+00 volume 1.61964E+08 ppm1 9.143 ppm2 2.092 ASSI { 253} (( segid " A" and resid 88 and name HN )) (( segid " A" and resid 89 and name HN )) 3.180 1.264 1.264 peak 253 weight 1.00000E+00 volume 2.57416E+07 ppm1 9.147 ppm2 8.034 ASSI { 543} (( segid " A" and resid 88 and name HA )) (( segid " A" and resid 89 and name HN )) 2.115 0.559 0.559 peak 543 weight 1.00000E+00 volume 2.97975E+08 ppm1 9.144 ppm2 4.622 ASSI { 2659} (( segid " A" and resid 88 and name HN )) (( segid " A" and resid 95 and name HB )) 3.195 1.276 1.276 peak 2659 weight 1.00000E+00 volume 2.50400E+07 ppm1 8.035 ppm2 4.114 ASSI { 1998} ( segid " A" and resid 88 and name HG1#) (( segid " A" and resid 96 and name HA )) 2.810 0.987 0.987 peak 1998 weight 1.00000E+00 volume 1.13762E+06 ppm1 0.805 ppm2 4.452 ASSI { 249} (( segid " A" and resid 88 and name HN )) (( segid " A" and resid 96 and name HN )) 2.628 0.863 0.863 peak 249 weight 1.00000E+00 volume 8.09105E+07 ppm1 8.037 ppm2 9.107 ASSI { 2664} (( segid " A" and resid 88 and name HN )) ( segid " A" and resid 96 and name HG2#) 3.249 1.319 1.319 peak 2664 weight 1.00000E+00 volume 2.26600E+07 ppm1 8.037 ppm2 0.426 ASSI { 2702} ( segid " A" and resid 88 and name HG1#) (( segid " A" and resid 96 and name HN )) 2.353 0.692 0.692 peak 2702 weight 1.00000E+00 volume 9.38100E+07 ppm1 9.105 ppm2 0.786 ASSI { 1993} ( segid " A" and resid 88 and name HG1#) ( segid " A" and resid 98 and name HD1#) 1.845 0.425 0.425 peak 1993 weight 1.00000E+00 volume 1.42048E+07 ppm1 0.801 ppm2 0.557 ASSI { 1994} ( segid " A" and resid 88 and name HG1#) (( segid " A" and resid 98 and name HG12)) 2.034 0.517 0.517 peak 1994 weight 1.00000E+00 volume 7.89837E+06 ppm1 0.800 ppm2 1.189 ASSI { 1980} ( segid " A" and resid 88 and name HG2#) (( segid " A" and resid 98 and name HG12)) 2.122 0.563 0.563 peak 1980 weight 1.00000E+00 volume 6.13382E+06 ppm1 0.691 ppm2 1.192 ASSI { 1923} ( segid " A" and resid 88 and name HG1#) (( segid " A" and resid 98 and name HN )) 2.805 0.984 0.984 peak 1923 weight 1.00000E+00 volume 5.46677E+07 ppm1 8.081 ppm2 0.790 OR { 1923} ( segid " A" and resid 87 and name HG2#) (( segid " A" and resid 98 and name HN )) ASSI { 2663} (( segid " A" and resid 88 and name HN )) ( segid " A" and resid 98 and name HD1#) 2.864 1.026 1.026 peak 2663 weight 1.00000E+00 volume 4.82212E+07 ppm1 8.040 ppm2 0.538 ASSI { 2914} (( segid " A" and resid 89 and name HN )) ( segid " A" and resid 77 and name HD# ) 3.416 1.459 1.459 peak 2914 weight 1.00000E+00 volume 1.67621E+07 ppm1 9.140 ppm2 6.840 OR { 2914} (( segid " A" and resid 89 and name HN )) ( segid " A" and resid 77 and name HE# ) ASSI { 783} (( segid " A" and resid 89 and name HA )) (( segid " A" and resid 88 and name HN )) 3.557 1.581 1.581 peak 783 weight 1.00000E+00 volume 1.31583E+07 ppm1 8.038 ppm2 4.256 ASSI { 1741} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 89 and name HA )) 2.046 0.523 0.523 peak 1741 weight 1.00000E+00 volume 4.89190E+06 ppm1 1.262 ppm2 4.275 ASSI { 2008} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 89 and name HB )) 1.921 0.461 0.461 peak 2008 weight 1.00000E+00 volume 5.49173E+06 ppm1 4.010 ppm2 1.306 ASSI { 2010} (( segid " A" and resid 89 and name HA )) (( segid " A" and resid 89 and name HB )) 2.564 0.822 0.822 peak 2010 weight 1.00000E+00 volume 1.96918E+06 ppm1 4.009 ppm2 4.251 ASSI { 782} (( segid " A" and resid 89 and name HB )) (( segid " A" and resid 89 and name HN )) 2.315 0.670 0.670 peak 782 weight 1.00000E+00 volume 1.45173E+08 ppm1 9.143 ppm2 3.990 ASSI { 781} (( segid " A" and resid 89 and name HA )) (( segid " A" and resid 89 and name HN )) 2.817 0.992 0.992 peak 781 weight 1.00000E+00 volume 5.33021E+07 ppm1 9.144 ppm2 4.243 ASSI { 954} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 90 and name HN )) 2.362 0.697 0.697 peak 954 weight 1.00000E+00 volume 1.53525E+08 ppm1 8.271 ppm2 1.282 ASSI { 257} (( segid " A" and resid 89 and name HN )) (( segid " A" and resid 90 and name HN )) 3.640 1.656 1.656 peak 257 weight 1.00000E+00 volume 1.14516E+07 ppm1 9.143 ppm2 8.295 ASSI { 779} (( segid " A" and resid 89 and name HA )) (( segid " A" and resid 90 and name HN )) 2.264 0.641 0.641 peak 779 weight 1.00000E+00 volume 1.97871E+08 ppm1 8.270 ppm2 4.249 ASSI { 2693} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 93 and name HN )) 2.620 0.858 0.858 peak 2693 weight 1.00000E+00 volume 5.57200E+07 ppm1 7.542 ppm2 1.290 ASSI { 2123} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 93 and name HA2 )) 2.487 0.773 0.773 peak 2123 weight 1.00000E+00 volume 1.96477E+06 ppm1 3.421 ppm2 1.297 ASSI { 3846} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 93 and name HA1 )) 1.937 0.469 0.469 peak 3846 weight 1.00000E+00 volume 1.06000E+07 ppm1 1.304 ppm2 4.621 ASSI { 1902} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 94 and name HN )) 3.121 1.217 1.217 peak 1902 weight 1.00000E+00 volume 2.22299E+07 ppm1 8.441 ppm2 1.282 ASSI { 3848} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 95 and name HA )) 2.552 0.814 0.814 peak 3848 weight 1.00000E+00 volume 2.02500E+06 ppm1 1.310 ppm2 5.030 ASSI { 3849} ( segid " A" and resid 89 and name HG2#) (( segid " A" and resid 95 and name HN )) 2.558 0.818 0.818 peak 3849 weight 1.00000E+00 volume 1.99700E+06 ppm1 1.306 ppm2 8.879 ASSI { 3869} (( segid " A" and resid 89 and name HA )) (( segid " A" and resid 95 and name HA )) 2.091 0.546 0.546 peak 3869 weight 1.00000E+00 volume 6.70500E+06 ppm1 5.046 ppm2 4.268 ASSI { 2698} (( segid " A" and resid 89 and name HA )) (( segid " A" and resid 96 and name HN )) 2.833 1.003 1.003 peak 2698 weight 1.00000E+00 volume 5.15600E+07 ppm1 9.105 ppm2 4.241 ASSI { 2038} (( segid " A" and resid 90 and name HB2 )) (( segid " A" and resid 90 and name HA )) 2.372 0.703 0.703 peak 2038 weight 1.00000E+00 volume 3.14161E+06 ppm1 4.022 ppm2 4.981 ASSI { 784} (( segid " A" and resid 90 and name HN )) (( segid " A" and resid 90 and name HA )) 2.513 0.789 0.789 peak 784 weight 1.00000E+00 volume 1.05864E+08 ppm1 8.268 ppm2 4.979 ASSI { 258} (( segid " A" and resid 90 and name HN )) (( segid " A" and resid 91 and name HN )) 3.392 1.438 1.438 peak 258 weight 1.00000E+00 volume 1.74959E+07 ppm1 8.275 ppm2 9.584 ASSI { 544} (( segid " A" and resid 90 and name HB2 )) (( segid " A" and resid 91 and name HN )) 2.994 1.121 1.121 peak 544 weight 1.00000E+00 volume 3.69700E+07 ppm1 9.592 ppm2 4.011 ASSI { 545} (( segid " A" and resid 90 and name HA )) (( segid " A" and resid 91 and name HN )) 2.504 0.784 0.784 peak 545 weight 1.00000E+00 volume 1.08058E+08 ppm1 9.590 ppm2 4.963 ASSI { 2679} (( segid " A" and resid 90 and name HN )) (( segid " A" and resid 92 and name HN )) 3.429 1.470 1.470 peak 2679 weight 1.00000E+00 volume 1.63800E+07 ppm1 7.431 ppm2 8.259 ASSI { 2681} (( segid " A" and resid 90 and name HB2 )) (( segid " A" and resid 92 and name HN )) 2.802 0.982 0.982 peak 2681 weight 1.00000E+00 volume 5.49900E+07 ppm1 7.430 ppm2 3.991 ASSI { 2672} (( segid " A" and resid 90 and name HN )) (( segid " A" and resid 93 and name HA2 )) 3.559 1.583 1.583 peak 2672 weight 1.00000E+00 volume 1.31100E+07 ppm1 8.263 ppm2 3.396 ASSI { 2667} (( segid " A" and resid 90 and name HN )) (( segid " A" and resid 94 and name HN )) 3.046 1.160 1.160 peak 2667 weight 1.00000E+00 volume 3.33400E+07 ppm1 8.266 ppm2 8.426 ASSI { 3560} ( segid " A" and resid 91 and name HD2#) ( segid " A" and resid 29 and name HB# ) 2.498 0.780 0.780 peak 3560 weight 1.00000E+00 volume 2.30600E+06 ppm1 1.248 ppm2 0.975 ASSI { 3852} ( segid " A" and resid 91 and name HD1#) ( segid " A" and resid 29 and name HB# ) 2.425 0.735 0.735 peak 3852 weight 1.00000E+00 volume 2.75400E+06 ppm1 0.898 ppm2 1.207 ASSI { 3855} ( segid " A" and resid 91 and name HD1#) (( segid " A" and resid 30 and name HA )) 2.605 0.848 0.848 peak 3855 weight 1.00000E+00 volume 1.79000E+06 ppm1 0.896 ppm2 3.952 ASSI { 1364} (( segid " A" and resid 91 and name HB1 )) (( segid " A" and resid 30 and name HN )) 3.373 1.423 1.423 peak 1364 weight 1.00000E+00 volume 1.80733E+07 ppm1 7.439 ppm2 1.912 ASSI { 3280} (( segid " A" and resid 91 and name HA )) ( segid " A" and resid 73 and name HG1#) 2.150 0.578 0.578 peak 3280 weight 1.00000E+00 volume 5.67338E+06 ppm1 0.898 ppm2 4.235 OR { 3280} ( segid " A" and resid 58 and name HG1#) (( segid " A" and resid 59 and name HA )) ASSI { 3419} (( segid " A" and resid 91 and name HA )) ( segid " A" and resid 73 and name HG1#) 2.153 0.580 0.580 peak 3419 weight 1.00000E+00 volume 5.61700E+06 ppm1 4.212 ppm2 0.848 ASSI { 3856} ( segid " A" and resid 91 and name HD1#) (( segid " A" and resid 73 and name HA )) 2.899 1.051 1.051 peak 3856 weight 1.00000E+00 volume 9.42800E+05 ppm1 0.897 ppm2 4.413 ASSI { 2674} (( segid " A" and resid 91 and name HN )) (( segid " A" and resid 73 and name HA )) 2.915 1.062 1.062 peak 2674 weight 1.00000E+00 volume 4.34500E+07 ppm1 9.585 ppm2 4.413 ASSI { 2079} ( segid " A" and resid 91 and name HD2#) ( segid " A" and resid 74 and name HB# ) 1.913 0.457 0.457 peak 2079 weight 1.00000E+00 volume 1.14316E+07 ppm1 0.989 ppm2 1.421 OR { 2079} ( segid " A" and resid 111 and name HG1#) (( segid " A" and resid 104 and name HB2 )) ASSI { 3751} ( segid " A" and resid 91 and name HD2#) ( segid " A" and resid 74 and name HB# ) 1.979 0.489 0.489 peak 3751 weight 1.00000E+00 volume 9.32300E+06 ppm1 1.436 ppm2 0.963 ASSI { 3752} (( segid " A" and resid 91 and name HA )) ( segid " A" and resid 74 and name HB# ) 2.704 0.914 0.914 peak 3752 weight 1.00000E+00 volume 1.43300E+06 ppm1 1.436 ppm2 4.248 ASSI { 3853} ( segid " A" and resid 91 and name HD1#) ( segid " A" and resid 74 and name HB# ) 2.249 0.632 0.632 peak 3853 weight 1.00000E+00 volume 4.32500E+06 ppm1 0.897 ppm2 1.411 ASSI { 2581} (( segid " A" and resid 91 and name HG )) (( segid " A" and resid 74 and name HN )) 3.012 1.134 1.134 peak 2581 weight 1.00000E+00 volume 3.56700E+07 ppm1 9.305 ppm2 1.777 ASSI { 2582} ( segid " A" and resid 91 and name HD2#) (( segid " A" and resid 74 and name HN )) 2.491 0.775 0.775 peak 2582 weight 1.00000E+00 volume 7.07000E+07 ppm1 9.302 ppm2 0.979 ASSI { 97} (( segid " A" and resid 91 and name HA )) (( segid " A" and resid 91 and name HB2 )) 2.126 0.565 0.565 peak 97 weight 1.00000E+00 volume 6.05643E+06 ppm1 4.215 ppm2 1.589 ASSI { 98} (( segid " A" and resid 91 and name HA )) ( segid " A" and resid 91 and name HD2#) 1.917 0.459 0.459 peak 98 weight 1.00000E+00 volume 1.01052E+07 ppm1 4.213 ppm2 0.983 ASSI { 2043} (( segid " A" and resid 91 and name HB2 )) (( segid " A" and resid 91 and name HB1 )) 2.092 0.547 0.547 peak 2043 weight 1.00000E+00 volume 6.17777E+06 ppm1 1.926 ppm2 1.619 ASSI { 2045} (( segid " A" and resid 91 and name HB1 )) ( segid " A" and resid 91 and name HD1#) 1.992 0.496 0.496 peak 2045 weight 1.00000E+00 volume 7.52907E+06 ppm1 1.926 ppm2 0.903 ASSI { 2046} (( segid " A" and resid 91 and name HB2 )) ( segid " A" and resid 91 and name HD1#) 2.068 0.535 0.535 peak 2046 weight 1.00000E+00 volume 5.98066E+06 ppm1 1.620 ppm2 0.904 ASSI { 2048} (( segid " A" and resid 91 and name HB2 )) ( segid " A" and resid 91 and name HD2#) 2.092 0.547 0.547 peak 2048 weight 1.00000E+00 volume 5.50280E+06 ppm1 1.619 ppm2 0.995 ASSI { 2049} (( segid " A" and resid 91 and name HA )) (( segid " A" and resid 91 and name HB1 )) 2.751 0.946 0.946 peak 2049 weight 1.00000E+00 volume 1.29235E+06 ppm1 1.923 ppm2 4.233 ASSI { 2054} (( segid " A" and resid 91 and name HB1 )) (( segid " A" and resid 91 and name HN )) 2.661 0.885 0.885 peak 2054 weight 1.00000E+00 volume 1.57630E+06 ppm1 1.932 ppm2 9.576 ASSI { 787} (( segid " A" and resid 91 and name HB2 )) (( segid " A" and resid 91 and name HN )) 2.540 0.806 0.806 peak 787 weight 1.00000E+00 volume 6.49836E+07 ppm1 9.590 ppm2 1.597 ASSI { 2060} ( segid " A" and resid 91 and name HD2#) ( segid " A" and resid 91 and name HD1#) 1.613 0.325 0.325 peak 2060 weight 1.00000E+00 volume 3.17540E+07 ppm1 0.898 ppm2 0.997 ASSI { 2081} ( segid " A" and resid 91 and name HD2#) (( segid " A" and resid 91 and name HG )) 1.968 0.484 0.484 peak 2081 weight 1.00000E+00 volume 9.63052E+06 ppm1 0.991 ppm2 1.799 ASSI { 2064} ( segid " A" and resid 91 and name HD1#) (( segid " A" and resid 91 and name HG )) 2.022 0.511 0.511 peak 2064 weight 1.00000E+00 volume 8.18709E+06 ppm1 0.896 ppm2 1.810 ASSI { 2092} (( segid " A" and resid 91 and name HB1 )) (( segid " A" and resid 91 and name HG )) 1.989 0.495 0.495 peak 2092 weight 1.00000E+00 volume 9.02870E+06 ppm1 1.789 ppm2 1.927 ASSI { 2093} (( segid " A" and resid 91 and name HA )) (( segid " A" and resid 91 and name HG )) 2.560 0.819 0.819 peak 2093 weight 1.00000E+00 volume 1.99118E+06 ppm1 1.796 ppm2 4.213 ASSI { 786} (( segid " A" and resid 91 and name HA )) (( segid " A" and resid 91 and name HN )) 2.673 0.893 0.893 peak 786 weight 1.00000E+00 volume 7.31007E+07 ppm1 9.589 ppm2 4.193 ASSI { 2677} ( segid " A" and resid 91 and name HD2#) (( segid " A" and resid 91 and name HN )) 2.643 0.873 0.873 peak 2677 weight 1.00000E+00 volume 6.63500E+07 ppm1 9.591 ppm2 0.963 ASSI { 264} (( segid " A" and resid 91 and name HN )) (( segid " A" and resid 92 and name HN )) 2.703 0.913 0.913 peak 264 weight 1.00000E+00 volume 6.82766E+07 ppm1 7.429 ppm2 9.578 ASSI { 546} (( segid " A" and resid 91 and name HA )) (( segid " A" and resid 92 and name HN )) 2.807 0.985 0.985 peak 546 weight 1.00000E+00 volume 5.44706E+07 ppm1 7.430 ppm2 4.192 ASSI { 547} (( segid " A" and resid 91 and name HB2 )) (( segid " A" and resid 92 and name HN )) 2.632 0.866 0.866 peak 547 weight 1.00000E+00 volume 8.00680E+07 ppm1 7.430 ppm2 1.594 ASSI { 2683} (( segid " A" and resid 91 and name HB1 )) (( segid " A" and resid 92 and name HN )) 2.422 0.733 0.733 peak 2683 weight 1.00000E+00 volume 1.32000E+08 ppm1 7.430 ppm2 1.911 ASSI { 2689} (( segid " A" and resid 91 and name HA )) (( segid " A" and resid 93 and name HN )) 2.955 1.091 1.091 peak 2689 weight 1.00000E+00 volume 4.00400E+07 ppm1 7.545 ppm2 4.198 ASSI { 2712} ( segid " A" and resid 91 and name HD2#) (( segid " A" and resid 93 and name HN )) 3.639 1.655 1.655 peak 2712 weight 1.00000E+00 volume 1.14700E+07 ppm1 7.543 ppm2 0.979 ASSI { 2105} (( segid " A" and resid 92 and name HB1 )) (( segid " A" and resid 92 and name HB2 )) 2.747 0.943 0.943 peak 2105 weight 1.00000E+00 volume 1.30271E+06 ppm1 2.581 ppm2 1.818 ASSI { 2106} (( segid " A" and resid 92 and name HB2 )) (( segid " A" and resid 92 and name HG1 )) 2.478 0.768 0.768 peak 2106 weight 1.00000E+00 volume 2.41504E+06 ppm1 1.801 ppm2 2.579 ASSI { 2108} (( segid " A" and resid 92 and name HB1 )) (( segid " A" and resid 92 and name HA )) 2.827 0.999 0.999 peak 2108 weight 1.00000E+00 volume 1.09617E+06 ppm1 2.581 ppm2 3.933 ASSI { 2099} (( segid " A" and resid 92 and name HB2 )) (( segid " A" and resid 92 and name HA )) 2.318 0.672 0.672 peak 2099 weight 1.00000E+00 volume 3.61005E+06 ppm1 3.915 ppm2 1.805 ASSI { 2112} (( segid " A" and resid 92 and name HG1 )) (( segid " A" and resid 92 and name HG2 )) 2.271 0.645 0.645 peak 2112 weight 1.00000E+00 volume 3.49124E+06 ppm1 2.519 ppm2 2.337 ASSI { 2117} (( segid " A" and resid 92 and name HA )) (( segid " A" and resid 92 and name HG1 )) 2.750 0.946 0.946 peak 2117 weight 1.00000E+00 volume 1.29336E+06 ppm1 2.525 ppm2 3.907 ASSI { 3866} (( segid " A" and resid 92 and name HB1 )) (( segid " A" and resid 92 and name HG1 )) 2.672 0.892 0.892 peak 3866 weight 1.00000E+00 volume 1.53900E+06 ppm1 2.520 ppm2 1.788 ASSI { 2116} (( segid " A" and resid 92 and name HB2 )) (( segid " A" and resid 92 and name HG2 )) 2.305 0.664 0.664 peak 2116 weight 1.00000E+00 volume 3.73093E+06 ppm1 2.331 ppm2 1.799 ASSI { 788} (( segid " A" and resid 92 and name HA )) (( segid " A" and resid 92 and name HN )) 2.401 0.721 0.721 peak 788 weight 1.00000E+00 volume 1.38959E+08 ppm1 7.430 ppm2 3.896 ASSI { 958} (( segid " A" and resid 92 and name HN )) (( segid " A" and resid 92 and name HG1 )) 2.408 0.725 0.725 peak 958 weight 1.00000E+00 volume 1.36547E+08 ppm1 7.431 ppm2 2.565 ASSI { 959} (( segid " A" and resid 92 and name HN )) (( segid " A" and resid 92 and name HG2 )) 2.912 1.060 1.060 peak 959 weight 1.00000E+00 volume 4.36696E+07 ppm1 7.428 ppm2 2.315 ASSI { 794} (( segid " A" and resid 92 and name HN )) (( segid " A" and resid 93 and name HA1 )) 3.354 1.406 1.406 peak 794 weight 1.00000E+00 volume 1.87249E+07 ppm1 7.431 ppm2 4.579 ASSI { 2692} (( segid " A" and resid 92 and name HB1 )) (( segid " A" and resid 93 and name HN )) 2.872 1.031 1.031 peak 2692 weight 1.00000E+00 volume 4.74200E+07 ppm1 7.542 ppm2 1.775 ASSI { 2118} (( segid " A" and resid 92 and name HG2 )) (( segid " A" and resid 94 and name HB2 )) 2.401 0.721 0.721 peak 2118 weight 1.00000E+00 volume 2.91970E+06 ppm1 2.319 ppm2 3.906 ASSI { 960} (( segid " A" and resid 92 and name HG1 )) (( segid " A" and resid 94 and name HN )) 3.011 1.133 1.133 peak 960 weight 1.00000E+00 volume 3.57466E+07 ppm1 8.440 ppm2 2.559 ASSI { 961} (( segid " A" and resid 92 and name HG2 )) (( segid " A" and resid 94 and name HN )) 3.375 1.424 1.424 peak 961 weight 1.00000E+00 volume 1.80159E+07 ppm1 8.433 ppm2 2.347 ASSI { 263} (( segid " A" and resid 92 and name HN )) (( segid " A" and resid 94 and name HN )) 3.036 1.152 1.152 peak 263 weight 1.00000E+00 volume 3.39883E+07 ppm1 7.431 ppm2 8.420 ASSI { 2668} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 90 and name HN )) 3.356 1.408 1.408 peak 2668 weight 1.00000E+00 volume 1.86500E+07 ppm1 8.274 ppm2 7.541 ASSI { 2687} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 90 and name HA )) 3.116 1.214 1.214 peak 2687 weight 1.00000E+00 volume 2.90900E+07 ppm1 7.547 ppm2 4.950 ASSI { 2686} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 91 and name HN )) 3.375 1.424 1.424 peak 2686 weight 1.00000E+00 volume 1.80100E+07 ppm1 7.537 ppm2 9.571 ASSI { 266} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 92 and name HN )) 2.082 0.542 0.542 peak 266 weight 1.00000E+00 volume 1.48581E+08 ppm1 7.430 ppm2 7.537 ASSI { 548} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 92 and name HA )) 2.713 0.920 0.920 peak 548 weight 1.00000E+00 volume 6.68450E+07 ppm1 7.542 ppm2 3.898 ASSI { 957} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 92 and name HG1 )) 2.785 0.969 0.969 peak 957 weight 1.00000E+00 volume 5.71233E+07 ppm1 7.543 ppm2 2.567 ASSI { 2690} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 92 and name HG2 )) 3.376 1.424 1.424 peak 2690 weight 1.00000E+00 volume 1.80000E+07 ppm1 7.545 ppm2 2.314 ASSI { 793} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 93 and name HA2 )) 2.316 0.670 0.670 peak 793 weight 1.00000E+00 volume 1.72650E+08 ppm1 7.542 ppm2 3.398 ASSI { 2121} (( segid " A" and resid 93 and name HA2 )) (( segid " A" and resid 93 and name HA1 )) 2.029 0.515 0.515 peak 2121 weight 1.00000E+00 volume 8.01491E+06 ppm1 3.424 ppm2 4.569 ASSI { 792} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 93 and name HA1 )) 2.380 0.708 0.708 peak 792 weight 1.00000E+00 volume 1.46466E+08 ppm1 7.542 ppm2 4.563 ASSI { 269} (( segid " A" and resid 93 and name HN )) (( segid " A" and resid 94 and name HN )) 2.550 0.813 0.813 peak 269 weight 1.00000E+00 volume 9.68315E+07 ppm1 7.543 ppm2 8.435 ASSI { 790} (( segid " A" and resid 93 and name HA2 )) (( segid " A" and resid 94 and name HN )) 2.914 1.061 1.061 peak 790 weight 1.00000E+00 volume 4.35038E+07 ppm1 8.433 ppm2 3.398 ASSI { 791} (( segid " A" and resid 93 and name HA1 )) (( segid " A" and resid 94 and name HN )) 2.667 0.889 0.889 peak 791 weight 1.00000E+00 volume 7.39764E+07 ppm1 8.440 ppm2 4.568 ASSI { 2127} (( segid " A" and resid 94 and name HB1 )) (( segid " A" and resid 94 and name HA )) 2.424 0.734 0.734 peak 2127 weight 1.00000E+00 volume 2.76274E+06 ppm1 3.970 ppm2 4.762 ASSI { 2128} (( segid " A" and resid 94 and name HB2 )) (( segid " A" and resid 94 and name HA )) 2.581 0.832 0.832 peak 2128 weight 1.00000E+00 volume 1.89568E+06 ppm1 3.907 ppm2 4.764 ASSI { 796} (( segid " A" and resid 94 and name HA )) (( segid " A" and resid 94 and name HN )) 2.462 0.758 0.758 peak 796 weight 1.00000E+00 volume 1.19576E+08 ppm1 8.439 ppm2 4.771 ASSI { 797} (( segid " A" and resid 94 and name HB1 )) (( segid " A" and resid 94 and name HN )) 2.550 0.813 0.813 peak 797 weight 1.00000E+00 volume 9.68659E+07 ppm1 8.436 ppm2 3.953 ASSI { 549} (( segid " A" and resid 94 and name HA )) (( segid " A" and resid 95 and name HN )) 2.600 0.845 0.845 peak 549 weight 1.00000E+00 volume 8.62250E+07 ppm1 8.896 ppm2 4.782 ASSI { 550} (( segid " A" and resid 94 and name HB1 )) (( segid " A" and resid 95 and name HN )) 3.337 1.392 1.392 peak 550 weight 1.00000E+00 volume 1.92750E+07 ppm1 8.887 ppm2 3.956 ASSI { 3808} ( segid " A" and resid 95 and name HG2#) ( segid " A" and resid 87 and name HD1#) 2.020 0.510 0.510 peak 3808 weight 1.00000E+00 volume 8.23900E+06 ppm1 0.836 ppm2 1.244 ASSI { 1959} ( segid " A" and resid 95 and name HG2#) ( segid " A" and resid 87 and name HG2#) 1.787 0.399 0.399 peak 1959 weight 1.00000E+00 volume 6.08958E+06 ppm1 0.779 ppm2 1.250 ASSI { 956} ( segid " A" and resid 95 and name HG2#) (( segid " A" and resid 88 and name HN )) 2.782 0.968 0.968 peak 956 weight 1.00000E+00 volume 5.74089E+07 ppm1 8.037 ppm2 1.273 ASSI { 2665} (( segid " A" and resid 95 and name HA )) (( segid " A" and resid 89 and name HN )) 3.123 1.219 1.219 peak 2665 weight 1.00000E+00 volume 2.87000E+07 ppm1 9.144 ppm2 5.023 ASSI { 273} (( segid " A" and resid 95 and name HN )) (( segid " A" and resid 94 and name HN )) 3.311 1.370 1.370 peak 273 weight 1.00000E+00 volume 2.02157E+07 ppm1 8.440 ppm2 8.880 ASSI { 1743} ( segid " A" and resid 95 and name HG2#) (( segid " A" and resid 95 and name HA )) 2.095 0.549 0.549 peak 1743 weight 1.00000E+00 volume 6.61397E+06 ppm1 1.260 ppm2 5.034 ASSI { 2136} (( segid " A" and resid 95 and name HA )) (( segid " A" and resid 95 and name HB )) 2.849 1.014 1.014 peak 2136 weight 1.00000E+00 volume 1.04795E+06 ppm1 4.127 ppm2 5.030 ASSI { 2150} ( segid " A" and resid 95 and name HG2#) (( segid " A" and resid 95 and name HB )) 1.781 0.397 0.397 peak 2150 weight 1.00000E+00 volume 1.75381E+07 ppm1 1.261 ppm2 4.107 ASSI { 800} (( segid " A" and resid 95 and name HA )) (( segid " A" and resid 95 and name HN )) 3.311 1.370 1.370 peak 800 weight 1.00000E+00 volume 2.02234E+07 ppm1 8.899 ppm2 5.052 ASSI { 801} (( segid " A" and resid 95 and name HB )) (( segid " A" and resid 95 and name HN )) 3.790 1.795 1.795 peak 801 weight 1.00000E+00 volume 8.99404E+06 ppm1 8.894 ppm2 4.100 ASSI { 963} ( segid " A" and resid 95 and name HG2#) (( segid " A" and resid 95 and name HN )) 2.914 1.061 1.061 peak 963 weight 1.00000E+00 volume 4.35503E+07 ppm1 8.893 ppm2 1.241 ASSI { 962} ( segid " A" and resid 95 and name HG2#) (( segid " A" and resid 96 and name HN )) 2.286 0.653 0.653 peak 962 weight 1.00000E+00 volume 1.35196E+08 ppm1 9.105 ppm2 1.248 ASSI { 552} (( segid " A" and resid 95 and name HA )) (( segid " A" and resid 96 and name HN )) 2.308 0.666 0.666 peak 552 weight 1.00000E+00 volume 1.76440E+08 ppm1 9.105 ppm2 5.048 ASSI { 1996} (( segid " A" and resid 96 and name HB )) ( segid " A" and resid 88 and name HG1#) 2.049 0.525 0.525 peak 1996 weight 1.00000E+00 volume 7.56773E+06 ppm1 0.801 ppm2 1.588 ASSI { 2660} (( segid " A" and resid 96 and name HB )) (( segid " A" and resid 88 and name HN )) 2.800 0.980 0.980 peak 2660 weight 1.00000E+00 volume 5.53300E+07 ppm1 8.038 ppm2 1.569 ASSI { 1858} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 90 and name HN )) 2.938 1.079 1.079 peak 1858 weight 1.00000E+00 volume 4.13950E+07 ppm1 8.271 ppm2 0.526 OR { 1858} ( segid " A" and resid 98 and name HD1#) (( segid " A" and resid 106 and name HN )) ASSI { 2673} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 90 and name HN )) 2.938 1.079 1.079 peak 2673 weight 1.00000E+00 volume 4.14000E+07 ppm1 8.271 ppm2 0.526 ASSI { 1903} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 94 and name HN )) 3.396 1.442 1.442 peak 1903 weight 1.00000E+00 volume 1.73588E+07 ppm1 8.434 ppm2 0.549 ASSI { 3877} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 95 and name HA )) 2.583 0.834 0.834 peak 3877 weight 1.00000E+00 volume 1.88600E+06 ppm1 0.551 ppm2 5.047 ASSI { 551} (( segid " A" and resid 96 and name HN )) (( segid " A" and resid 95 and name HB )) 2.501 0.782 0.782 peak 551 weight 1.00000E+00 volume 1.08890E+08 ppm1 9.103 ppm2 4.110 ASSI { 3} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 96 and name HB )) 2.106 0.555 0.555 peak 3 weight 1.00000E+00 volume 6.41054E+06 ppm1 0.552 ppm2 1.606 ASSI { 2157} (( segid " A" and resid 96 and name HB )) ( segid " A" and resid 96 and name HG2#) 2.118 0.561 0.561 peak 2157 weight 1.00000E+00 volume 3.82872E+06 ppm1 1.599 ppm2 0.434 ASSI { 2699} (( segid " A" and resid 96 and name HB )) (( segid " A" and resid 96 and name HN )) 2.527 0.798 0.798 peak 2699 weight 1.00000E+00 volume 9.40100E+07 ppm1 9.105 ppm2 1.568 ASSI { 2170} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 96 and name HA )) 2.570 0.826 0.826 peak 2170 weight 1.00000E+00 volume 1.94233E+06 ppm1 0.548 ppm2 4.447 ASSI { 2} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 96 and name HG12)) 1.879 0.441 0.441 peak 2 weight 1.00000E+00 volume 1.27226E+07 ppm1 0.552 ppm2 1.252 ASSI { 2179} (( segid " A" and resid 96 and name HG12)) (( segid " A" and resid 96 and name HG11)) 2.204 0.607 0.607 peak 2179 weight 1.00000E+00 volume 4.88292E+06 ppm1 0.549 ppm2 1.254 ASSI { 2181} (( segid " A" and resid 96 and name HG11)) (( segid " A" and resid 96 and name HA )) 2.903 1.053 1.053 peak 2181 weight 1.00000E+00 volume 9.36250E+05 ppm1 0.552 ppm2 4.456 ASSI { 2187} (( segid " A" and resid 96 and name HG11)) ( segid " A" and resid 96 and name HG2#) 1.713 0.367 0.367 peak 2187 weight 1.00000E+00 volume 2.21625E+07 ppm1 0.430 ppm2 0.551 ASSI { 2188} (( segid " A" and resid 96 and name HG12)) ( segid " A" and resid 96 and name HG2#) 2.293 0.657 0.657 peak 2188 weight 1.00000E+00 volume 3.85644E+06 ppm1 0.429 ppm2 1.264 ASSI { 2195} (( segid " A" and resid 96 and name HA )) ( segid " A" and resid 96 and name HG2#) 2.368 0.701 0.701 peak 2195 weight 1.00000E+00 volume 3.17448E+06 ppm1 0.429 ppm2 4.462 ASSI { 3875} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 96 and name HG11)) 1.988 0.494 0.494 peak 3875 weight 1.00000E+00 volume 9.06200E+06 ppm1 0.548 ppm2 1.256 ASSI { 2697} (( segid " A" and resid 96 and name HA )) (( segid " A" and resid 96 and name HN )) 2.831 1.002 1.002 peak 2697 weight 1.00000E+00 volume 5.17800E+07 ppm1 9.105 ppm2 4.446 ASSI { 2703} ( segid " A" and resid 96 and name HD1#) (( segid " A" and resid 96 and name HN )) 2.627 0.863 0.863 peak 2703 weight 1.00000E+00 volume 8.10100E+07 ppm1 9.104 ppm2 0.540 ASSI { 2704} (( segid " A" and resid 96 and name HN )) ( segid " A" and resid 96 and name HG2#) 2.956 1.093 1.093 peak 2704 weight 1.00000E+00 volume 3.98900E+07 ppm1 9.103 ppm2 0.427 ASSI { 3883} ( segid " A" and resid 96 and name HG2#) ( segid " A" and resid 97 and name HG# ) 2.928 1.071 1.071 peak 3883 weight 1.00000E+00 volume 8.89100E+05 ppm1 0.433 ppm2 2.093 ASSI { 3885} ( segid " A" and resid 96 and name HG2#) ( segid " A" and resid 97 and name HD# ) 2.540 0.807 0.807 peak 3885 weight 1.00000E+00 volume 2.08400E+06 ppm1 0.429 ppm2 3.493 ASSI { 1908} (( segid " A" and resid 96 and name HN )) (( segid " A" and resid 97 and name HB2 )) 3.921 1.922 1.922 peak 1908 weight 1.00000E+00 volume 7.33088E+06 ppm1 9.111 ppm2 1.820 OR { 1908} (( segid " A" and resid 87 and name HB )) (( segid " A" and resid 96 and name HN )) ASSI { 2696} (( segid " A" and resid 96 and name HN )) (( segid " A" and resid 97 and name HA )) 3.311 1.371 1.371 peak 2696 weight 1.00000E+00 volume 2.02100E+07 ppm1 9.105 ppm2 4.824 ASSI { 756} (( segid " A" and resid 96 and name HG11)) (( segid " A" and resid 107 and name HB2 )) 2.958 1.094 1.094 peak 756 weight 1.00000E+00 volume 8.35866E+05 ppm1 2.535 ppm2 0.582 ASSI { 2190} ( segid " A" and resid 96 and name HG2#) (( segid " A" and resid 107 and name HD1 )) 2.520 0.794 0.794 peak 2190 weight 1.00000E+00 volume 2.18613E+06 ppm1 0.434 ppm2 1.780 OR { 2190} (( segid " A" and resid 107 and name HB1 )) ( segid " A" and resid 96 and name HG2#) ASSI { 2443} (( segid " A" and resid 96 and name HG11)) ( segid " A" and resid 107 and name HD# ) 2.482 0.770 0.770 peak 2443 weight 1.00000E+00 volume 2.39484E+06 ppm1 1.779 ppm2 0.718 ASSI { 2447} (( segid " A" and resid 96 and name HG11)) ( segid " A" and resid 107 and name HE# ) 2.489 0.775 0.775 peak 2447 weight 1.00000E+00 volume 2.35334E+06 ppm1 3.032 ppm2 0.699 ASSI { 3882} ( segid " A" and resid 96 and name HG2#) ( segid " A" and resid 107 and name HD# ) 2.520 0.794 0.794 peak 3882 weight 1.00000E+00 volume 2.18600E+06 ppm1 0.434 ppm2 1.780 ASSI { 3939} ( segid " A" and resid 96 and name HG2#) ( segid " A" and resid 107 and name HE# ) 2.773 0.961 0.961 peak 3939 weight 1.00000E+00 volume 1.23100E+06 ppm1 3.030 ppm2 0.447 ASSI { 2198} (( segid " A" and resid 97 and name HB1 )) (( segid " A" and resid 97 and name HB2 )) 1.585 0.314 0.314 peak 2198 weight 1.00000E+00 volume 3.52732E+07 ppm1 2.189 ppm2 1.789 ASSI { 2202} (( segid " A" and resid 97 and name HB2 )) (( segid " A" and resid 97 and name HA )) 2.438 0.743 0.743 peak 2202 weight 1.00000E+00 volume 2.66565E+06 ppm1 1.804 ppm2 4.866 ASSI { 2203} (( segid " A" and resid 97 and name HB1 )) (( segid " A" and resid 97 and name HA )) 2.424 0.734 0.734 peak 2203 weight 1.00000E+00 volume 2.76006E+06 ppm1 2.185 ppm2 4.864 ASSI { 553} (( segid " A" and resid 97 and name HB2 )) (( segid " A" and resid 98 and name HN )) 2.745 0.942 0.942 peak 553 weight 1.00000E+00 volume 6.22889E+07 ppm1 8.085 ppm2 1.788 ASSI { 554} (( segid " A" and resid 97 and name HB1 )) (( segid " A" and resid 98 and name HN )) 2.694 0.907 0.907 peak 554 weight 1.00000E+00 volume 6.97147E+07 ppm1 8.085 ppm2 2.156 ASSI { 555} (( segid " A" and resid 97 and name HA )) (( segid " A" and resid 98 and name HN )) 2.199 0.604 0.604 peak 555 weight 1.00000E+00 volume 2.35665E+08 ppm1 8.083 ppm2 4.844 ASSI { 3893} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 83 and name HB2 )) 2.146 0.576 0.576 peak 3893 weight 1.00000E+00 volume 5.73400E+06 ppm1 0.695 ppm2 1.833 ASSI { 2640} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 83 and name HN )) 2.414 0.729 0.729 peak 2640 weight 1.00000E+00 volume 8.87400E+07 ppm1 8.156 ppm2 0.728 ASSI { 2650} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 86 and name HN )) 2.810 0.987 0.987 peak 2650 weight 1.00000E+00 volume 5.40900E+07 ppm1 8.274 ppm2 0.695 ASSI { 2165} ( segid " A" and resid 98 and name HG2#) ( segid " A" and resid 98 and name HD1#) 1.720 0.370 0.370 peak 2165 weight 1.00000E+00 volume 2.15976E+07 ppm1 0.552 ppm2 0.713 ASSI { 2209} (( segid " A" and resid 98 and name HB )) (( segid " A" and resid 98 and name HA )) 2.739 0.937 0.937 peak 2209 weight 1.00000E+00 volume 1.32702E+06 ppm1 1.631 ppm2 4.777 ASSI { 805} (( segid " A" and resid 98 and name HB )) (( segid " A" and resid 98 and name HN )) 2.371 0.703 0.703 peak 805 weight 1.00000E+00 volume 1.40369E+08 ppm1 8.083 ppm2 1.607 ASSI { 2213} (( segid " A" and resid 98 and name HG12)) ( segid " A" and resid 98 and name HD1#) 2.004 0.502 0.502 peak 2213 weight 1.00000E+00 volume 8.65174E+06 ppm1 0.554 ppm2 1.187 ASSI { 2214} (( segid " A" and resid 98 and name HG11)) ( segid " A" and resid 98 and name HD1#) 1.997 0.498 0.498 peak 2214 weight 1.00000E+00 volume 8.83472E+06 ppm1 0.557 ppm2 1.329 ASSI { 2219} ( segid " A" and resid 98 and name HD1#) (( segid " A" and resid 98 and name HA )) 2.227 0.620 0.620 peak 2219 weight 1.00000E+00 volume 4.58954E+06 ppm1 0.553 ppm2 4.755 ASSI { 2226} (( segid " A" and resid 98 and name HG12)) (( segid " A" and resid 98 and name HG11)) 2.100 0.551 0.551 peak 2226 weight 1.00000E+00 volume 6.52818E+06 ppm1 1.326 ppm2 1.195 ASSI { 2229} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 98 and name HG12)) 2.516 0.791 0.791 peak 2229 weight 1.00000E+00 volume 2.20693E+06 ppm1 1.190 ppm2 0.688 ASSI { 2230} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 98 and name HG11)) 2.410 0.726 0.726 peak 2230 weight 1.00000E+00 volume 2.85549E+06 ppm1 1.329 ppm2 0.734 ASSI { 2232} (( segid " A" and resid 98 and name HG12)) (( segid " A" and resid 98 and name HB )) 2.393 0.716 0.716 peak 2232 weight 1.00000E+00 volume 2.98329E+06 ppm1 1.195 ppm2 1.614 ASSI { 2233} (( segid " A" and resid 98 and name HG11)) (( segid " A" and resid 98 and name HB )) 2.149 0.578 0.578 peak 2233 weight 1.00000E+00 volume 5.67694E+06 ppm1 1.329 ppm2 1.614 ASSI { 2205} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 98 and name HB )) 1.965 0.482 0.482 peak 2205 weight 1.00000E+00 volume 6.96827E+06 ppm1 1.625 ppm2 0.689 ASSI { 2249} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 98 and name HA )) 2.056 0.528 0.528 peak 2249 weight 1.00000E+00 volume 7.41834E+06 ppm1 0.694 ppm2 4.759 ASSI { 804} (( segid " A" and resid 98 and name HA )) (( segid " A" and resid 98 and name HN )) 2.470 0.763 0.763 peak 804 weight 1.00000E+00 volume 1.17208E+08 ppm1 8.083 ppm2 4.772 ASSI { 1921} (( segid " A" and resid 98 and name HG12)) (( segid " A" and resid 98 and name HN )) 2.745 0.942 0.942 peak 1921 weight 1.00000E+00 volume 6.23211E+07 ppm1 8.083 ppm2 1.162 ASSI { 2709} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 98 and name HN )) 2.713 0.920 0.920 peak 2709 weight 1.00000E+00 volume 6.67800E+07 ppm1 8.083 ppm2 0.684 ASSI { 2710} ( segid " A" and resid 98 and name HD1#) (( segid " A" and resid 98 and name HN )) 2.769 0.958 0.958 peak 2710 weight 1.00000E+00 volume 5.91600E+07 ppm1 8.085 ppm2 0.544 ASSI { 3878} ( segid " A" and resid 98 and name HD1#) (( segid " A" and resid 99 and name HN )) 2.456 0.754 0.754 peak 3878 weight 1.00000E+00 volume 2.55300E+06 ppm1 0.549 ppm2 9.081 ASSI { 3898} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 99 and name HN )) 2.230 0.622 0.622 peak 3898 weight 1.00000E+00 volume 4.55100E+06 ppm1 0.694 ppm2 9.086 ASSI { 418} (( segid " A" and resid 98 and name HN )) (( segid " A" and resid 99 and name HN )) 3.210 1.288 1.288 peak 418 weight 1.00000E+00 volume 1.50815E+07 ppm1 9.084 ppm2 8.080 ASSI { 3891} ( segid " A" and resid 98 and name HD1#) (( segid " A" and resid 105 and name HN )) 2.811 0.988 0.988 peak 3891 weight 1.00000E+00 volume 1.13400E+06 ppm1 0.554 ppm2 8.292 ASSI { 3897} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 105 and name HN )) 2.658 0.883 0.883 peak 3897 weight 1.00000E+00 volume 1.58600E+06 ppm1 0.697 ppm2 8.319 ASSI { 2734} ( segid " A" and resid 98 and name HD1#) (( segid " A" and resid 106 and name HN )) 3.396 1.442 1.442 peak 2734 weight 1.00000E+00 volume 1.73600E+07 ppm1 8.222 ppm2 0.538 ASSI { 2260} (( segid " A" and resid 99 and name HB2 )) (( segid " A" and resid 99 and name HB1 )) 1.888 0.445 0.445 peak 2260 weight 1.00000E+00 volume 1.18334E+07 ppm1 3.049 ppm2 3.211 ASSI { 2262} (( segid " A" and resid 99 and name HB1 )) (( segid " A" and resid 99 and name HA )) 2.251 0.633 0.633 peak 2262 weight 1.00000E+00 volume 4.30743E+06 ppm1 3.217 ppm2 4.931 ASSI { 2263} (( segid " A" and resid 99 and name HB2 )) (( segid " A" and resid 99 and name HA )) 2.286 0.653 0.653 peak 2263 weight 1.00000E+00 volume 3.92440E+06 ppm1 3.047 ppm2 4.921 ASSI { 2264} (( segid " A" and resid 99 and name HB1 )) (( segid " A" and resid 100 and name HN )) 2.597 0.843 0.843 peak 2264 weight 1.00000E+00 volume 1.82415E+06 ppm1 3.223 ppm2 8.257 ASSI { 556} (( segid " A" and resid 99 and name HB2 )) (( segid " A" and resid 100 and name HN )) 2.398 0.719 0.719 peak 556 weight 1.00000E+00 volume 1.40000E+08 ppm1 8.213 ppm2 3.001 ASSI { 559} (( segid " A" and resid 99 and name HA )) (( segid " A" and resid 100 and name HN )) 2.250 0.633 0.633 peak 559 weight 1.00000E+00 volume 2.05095E+08 ppm1 8.214 ppm2 4.882 ASSI { 420} (( segid " A" and resid 100 and name HN )) (( segid " A" and resid 99 and name HN )) 3.612 1.631 1.631 peak 420 weight 1.00000E+00 volume 1.19859E+07 ppm1 8.217 ppm2 9.081 ASSI { 2267} (( segid " A" and resid 100 and name HA2 )) (( segid " A" and resid 100 and name HA1 )) 2.107 0.555 0.555 peak 2267 weight 1.00000E+00 volume 6.40213E+06 ppm1 4.185 ppm2 3.669 ASSI { 806} (( segid " A" and resid 100 and name HN )) (( segid " A" and resid 100 and name HA2 )) 2.513 0.789 0.789 peak 806 weight 1.00000E+00 volume 1.05874E+08 ppm1 8.215 ppm2 4.150 ASSI { 807} (( segid " A" and resid 100 and name HN )) (( segid " A" and resid 100 and name HA1 )) 2.373 0.704 0.704 peak 807 weight 1.00000E+00 volume 1.49151E+08 ppm1 8.214 ppm2 3.658 ASSI { 2268} (( segid " A" and resid 100 and name HA2 )) (( segid " A" and resid 101 and name HN )) 2.540 0.807 0.807 peak 2268 weight 1.00000E+00 volume 2.08300E+06 ppm1 4.194 ppm2 7.552 ASSI { 316} (( segid " A" and resid 100 and name HN )) (( segid " A" and resid 101 and name HN )) 2.775 0.963 0.963 peak 316 weight 1.00000E+00 volume 3.66326E+07 ppm1 8.213 ppm2 7.521 ASSI { 560} (( segid " A" and resid 100 and name HA1 )) (( segid " A" and resid 101 and name HN )) 2.098 0.550 0.550 peak 560 weight 1.00000E+00 volume 3.12722E+08 ppm1 7.525 ppm2 3.657 ASSI { 1958} (( segid " A" and resid 100 and name HA2 )) (( segid " A" and resid 105 and name HN )) 2.844 1.011 1.011 peak 1958 weight 1.00000E+00 volume 5.03553E+07 ppm1 8.312 ppm2 4.142 ASSI { 1959} (( segid " A" and resid 100 and name HA1 )) (( segid " A" and resid 105 and name HN )) 3.179 1.263 1.263 peak 1959 weight 1.00000E+00 volume 2.58071E+07 ppm1 8.318 ppm2 3.660 ASSI { 2714} (( segid " A" and resid 100 and name HN )) (( segid " A" and resid 105 and name HG1 )) 3.502 1.533 1.533 peak 2714 weight 1.00000E+00 volume 1.44500E+07 ppm1 8.218 ppm2 1.952 ASSI { 2273} (( segid " A" and resid 101 and name HB1 )) (( segid " A" and resid 101 and name HB2 )) 1.593 0.317 0.317 peak 2273 weight 1.00000E+00 volume 3.42584E+07 ppm1 2.658 ppm2 2.529 ASSI { 2276} (( segid " A" and resid 101 and name HB1 )) (( segid " A" and resid 101 and name HA )) 2.234 0.624 0.624 peak 2276 weight 1.00000E+00 volume 4.50106E+06 ppm1 2.656 ppm2 4.470 ASSI { 2277} (( segid " A" and resid 101 and name HB2 )) (( segid " A" and resid 101 and name HA )) 2.402 0.721 0.721 peak 2277 weight 1.00000E+00 volume 2.91768E+06 ppm1 2.527 ppm2 4.466 ASSI { 809} (( segid " A" and resid 101 and name HN )) (( segid " A" and resid 101 and name HB1 )) 2.460 0.756 0.756 peak 809 weight 1.00000E+00 volume 1.20200E+08 ppm1 7.525 ppm2 2.648 ASSI { 808} (( segid " A" and resid 101 and name HN )) (( segid " A" and resid 101 and name HB2 )) 2.449 0.750 0.750 peak 808 weight 1.00000E+00 volume 1.23362E+08 ppm1 7.525 ppm2 2.513 ASSI { 810} (( segid " A" and resid 101 and name HN )) (( segid " A" and resid 101 and name HA )) 2.296 0.659 0.659 peak 810 weight 1.00000E+00 volume 1.82074E+08 ppm1 7.525 ppm2 4.443 ASSI { 811} (( segid " A" and resid 101 and name HN )) (( segid " A" and resid 102 and name HN )) 3.653 1.668 1.668 peak 811 weight 1.00000E+00 volume 1.12169E+07 ppm1 7.522 ppm2 8.063 ASSI { 2717} (( segid " A" and resid 101 and name HN )) (( segid " A" and resid 103 and name HG1 )) 3.123 1.219 1.219 peak 2717 weight 1.00000E+00 volume 2.87000E+07 ppm1 7.528 ppm2 1.899 ASSI { 2716} (( segid " A" and resid 102 and name HB1 )) (( segid " A" and resid 101 and name HN )) 3.438 1.478 1.478 peak 2716 weight 1.00000E+00 volume 1.61200E+07 ppm1 7.522 ppm2 2.795 ASSI { 1306} (( segid " A" and resid 102 and name HB2 )) (( segid " A" and resid 102 and name HA )) 2.160 0.583 0.583 peak 1306 weight 1.00000E+00 volume 5.51851E+06 ppm1 2.617 ppm2 4.757 ASSI { 1301} (( segid " A" and resid 102 and name HB2 )) (( segid " A" and resid 102 and name HB1 )) 1.606 0.322 0.322 peak 1301 weight 1.00000E+00 volume 2.22390E+07 ppm1 2.615 ppm2 2.791 ASSI { 1304} (( segid " A" and resid 102 and name HB2 )) (( segid " A" and resid 103 and name HD1 )) 2.708 0.917 0.917 peak 1304 weight 1.00000E+00 volume 1.41941E+06 ppm1 2.631 ppm2 3.637 ASSI { 2290} (( segid " A" and resid 103 and name HB1 )) (( segid " A" and resid 103 and name HB2 )) 1.990 0.495 0.495 peak 2290 weight 1.00000E+00 volume 8.38175E+06 ppm1 2.208 ppm2 2.373 ASSI { 2296} (( segid " A" and resid 103 and name HD2 )) (( segid " A" and resid 103 and name HB2 )) 2.776 0.963 0.963 peak 2296 weight 1.00000E+00 volume 1.16082E+06 ppm1 2.379 ppm2 3.506 ASSI { 2297} (( segid " A" and resid 103 and name HD2 )) (( segid " A" and resid 103 and name HB1 )) 2.903 1.053 1.053 peak 2297 weight 1.00000E+00 volume 9.35420E+05 ppm1 2.196 ppm2 3.504 ASSI { 2298} (( segid " A" and resid 103 and name HB2 )) (( segid " A" and resid 103 and name HA )) 2.310 0.667 0.667 peak 2298 weight 1.00000E+00 volume 3.68873E+06 ppm1 2.375 ppm2 4.792 ASSI { 2299} (( segid " A" and resid 103 and name HB1 )) (( segid " A" and resid 103 and name HA )) 2.371 0.703 0.703 peak 2299 weight 1.00000E+00 volume 3.14808E+06 ppm1 2.207 ppm2 4.814 ASSI { 2305} (( segid " A" and resid 103 and name HD1 )) (( segid " A" and resid 103 and name HD2 )) 1.786 0.399 0.399 peak 2305 weight 1.00000E+00 volume 1.68584E+07 ppm1 3.603 ppm2 3.469 ASSI { 2318} (( segid " A" and resid 103 and name HG2 )) (( segid " A" and resid 103 and name HG1 )) 1.721 0.370 0.370 peak 2318 weight 1.00000E+00 volume 1.28073E+07 ppm1 1.773 ppm2 1.901 ASSI { 2325} (( segid " A" and resid 103 and name HB2 )) (( segid " A" and resid 103 and name HG2 )) 2.542 0.807 0.807 peak 2325 weight 1.00000E+00 volume 2.07703E+06 ppm1 1.765 ppm2 2.359 ASSI { 2326} (( segid " A" and resid 103 and name HD2 )) (( segid " A" and resid 103 and name HG1 )) 2.268 0.643 0.643 peak 2326 weight 1.00000E+00 volume 4.11527E+06 ppm1 1.903 ppm2 3.474 ASSI { 2311} (( segid " A" and resid 103 and name HD2 )) (( segid " A" and resid 103 and name HG2 )) 2.134 0.569 0.569 peak 2311 weight 1.00000E+00 volume 5.92919E+06 ppm1 3.466 ppm2 1.779 ASSI { 2328} (( segid " A" and resid 103 and name HD1 )) (( segid " A" and resid 103 and name HG1 )) 2.313 0.669 0.669 peak 2328 weight 1.00000E+00 volume 3.65856E+06 ppm1 1.907 ppm2 3.621 ASSI { 2310} (( segid " A" and resid 103 and name HD1 )) (( segid " A" and resid 103 and name HG2 )) 2.105 0.554 0.554 peak 2310 weight 1.00000E+00 volume 6.43615E+06 ppm1 3.610 ppm2 1.782 ASSI { 3899} (( segid " A" and resid 103 and name HB1 )) (( segid " A" and resid 103 and name HG1 )) 2.488 0.774 0.774 peak 3899 weight 1.00000E+00 volume 2.35900E+06 ppm1 1.904 ppm2 2.361 ASSI { 2300} (( segid " A" and resid 103 and name HB2 )) (( segid " A" and resid 104 and name HN )) 2.825 0.998 0.998 peak 2300 weight 1.00000E+00 volume 1.10082E+06 ppm1 2.378 ppm2 8.665 ASSI { 562} (( segid " A" and resid 103 and name HB1 )) (( segid " A" and resid 104 and name HN )) 2.435 0.741 0.741 peak 562 weight 1.00000E+00 volume 1.27652E+08 ppm1 8.677 ppm2 2.188 ASSI { 564} (( segid " A" and resid 103 and name HA )) (( segid " A" and resid 104 and name HN )) 2.281 0.650 0.650 peak 564 weight 1.00000E+00 volume 1.89124E+08 ppm1 8.676 ppm2 4.766 ASSI { 2754} (( segid " A" and resid 103 and name HB1 )) (( segid " A" and resid 110 and name HN )) 4.070 2.071 2.071 peak 2754 weight 1.00000E+00 volume 5.86000E+06 ppm1 8.793 ppm2 2.191 OR { 2754} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 111 and name HB )) ASSI { 2600} (( segid " A" and resid 103 and name HB1 )) (( segid " A" and resid 111 and name HN )) 3.487 1.520 1.520 peak 2600 weight 1.00000E+00 volume 1.48100E+07 ppm1 8.446 ppm2 2.389 ASSI { 2601} (( segid " A" and resid 103 and name HG1 )) (( segid " A" and resid 111 and name HN )) 2.798 0.979 0.979 peak 2601 weight 1.00000E+00 volume 5.54600E+07 ppm1 8.450 ppm2 1.909 ASSI { 2610} ( segid " A" and resid 104 and name HD1#) (( segid " A" and resid 79 and name HN )) 3.131 1.226 1.226 peak 2610 weight 1.00000E+00 volume 2.82600E+07 ppm1 11.646 ppm2 0.623 ASSI { 1951} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 103 and name HG2 )) 3.471 1.506 1.506 peak 1951 weight 1.00000E+00 volume 1.52363E+07 ppm1 8.675 ppm2 1.758 ASSI { 2072} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 103 and name HG1 )) 3.199 1.280 1.280 peak 2072 weight 1.00000E+00 volume 2.48347E+07 ppm1 8.667 ppm2 1.910 OR { 2072} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 105 and name HG2 )) ASSI { 2720} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 103 and name HG1 )) 3.090 1.193 1.193 peak 2720 weight 1.00000E+00 volume 3.06300E+07 ppm1 8.671 ppm2 1.901 ASSI { 2334} (( segid " A" and resid 104 and name HA )) ( segid " A" and resid 104 and name HD2#) 2.189 0.599 0.599 peak 2334 weight 1.00000E+00 volume 5.08422E+06 ppm1 4.015 ppm2 0.693 ASSI { 812} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 104 and name HA )) 2.612 0.853 0.853 peak 812 weight 1.00000E+00 volume 7.55917E+07 ppm1 8.676 ppm2 4.002 ASSI { 2343} (( segid " A" and resid 104 and name HB2 )) (( segid " A" and resid 104 and name HB1 )) 1.850 0.428 0.428 peak 2343 weight 1.00000E+00 volume 1.32482E+07 ppm1 1.398 ppm2 1.337 ASSI { 2346} (( segid " A" and resid 104 and name HB1 )) ( segid " A" and resid 104 and name HD2#) 2.072 0.537 0.537 peak 2346 weight 1.00000E+00 volume 7.07339E+06 ppm1 1.335 ppm2 0.709 ASSI { 2351} (( segid " A" and resid 104 and name HB2 )) (( segid " A" and resid 104 and name HA )) 2.571 0.826 0.826 peak 2351 weight 1.00000E+00 volume 1.93894E+06 ppm1 1.398 ppm2 4.016 ASSI { 2352} (( segid " A" and resid 104 and name HB1 )) (( segid " A" and resid 104 and name HA )) 2.668 0.889 0.889 peak 2352 weight 1.00000E+00 volume 1.55382E+06 ppm1 1.336 ppm2 4.018 ASSI { 813} (( segid " A" and resid 104 and name HB1 )) (( segid " A" and resid 104 and name HN )) 2.213 0.612 0.612 peak 813 weight 1.00000E+00 volume 2.26721E+08 ppm1 8.674 ppm2 1.343 ASSI { 2361} (( segid " A" and resid 104 and name HB1 )) ( segid " A" and resid 104 and name HD1#) 1.961 0.481 0.481 peak 2361 weight 1.00000E+00 volume 9.85065E+06 ppm1 0.625 ppm2 1.340 ASSI { 2362} ( segid " A" and resid 104 and name HD1#) (( segid " A" and resid 104 and name HG )) 1.754 0.385 0.385 peak 2362 weight 1.00000E+00 volume 1.92257E+07 ppm1 0.627 ppm2 1.491 ASSI { 1173} (( segid " A" and resid 104 and name HB2 )) (( segid " A" and resid 104 and name HN )) 2.150 0.578 0.578 peak 1173 weight 1.00000E+00 volume 2.69578E+08 ppm1 8.672 ppm2 1.408 ASSI { 3902} (( segid " A" and resid 104 and name HA )) (( segid " A" and resid 105 and name HG2 )) 2.618 0.857 0.857 peak 3902 weight 1.00000E+00 volume 1.73700E+06 ppm1 4.016 ppm2 1.919 ASSI { 2726} ( segid " A" and resid 104 and name HD2#) (( segid " A" and resid 105 and name HN )) 2.236 0.625 0.625 peak 2726 weight 1.00000E+00 volume 2.12900E+08 ppm1 8.314 ppm2 0.712 ASSI { 567} (( segid " A" and resid 104 and name HA )) (( segid " A" and resid 105 and name HN )) 2.063 0.532 0.532 peak 567 weight 1.00000E+00 volume 3.45520E+08 ppm1 8.314 ppm2 4.002 ASSI { 2213} ( segid " A" and resid 104 and name HB# ) (( segid " A" and resid 105 and name HN )) 2.770 0.959 0.959 peak 2213 weight 1.00000E+00 volume 5.89956E+07 ppm1 8.313 ppm2 1.343 ASSI { 2728} ( segid " A" and resid 104 and name HD1#) (( segid " A" and resid 105 and name HN )) 2.673 0.893 0.893 peak 2728 weight 1.00000E+00 volume 7.30500E+07 ppm1 8.314 ppm2 0.611 ASSI { 2837} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 105 and name HN )) 3.247 1.318 1.318 peak 2837 weight 1.00000E+00 volume 2.27200E+07 ppm1 8.311 ppm2 8.667 ASSI { 2840} (( segid " A" and resid 104 and name HB2 )) (( segid " A" and resid 105 and name HN )) 2.770 0.959 0.959 peak 2840 weight 1.00000E+00 volume 5.90000E+07 ppm1 8.313 ppm2 1.343 ASSI { 2214} ( segid " A" and resid 104 and name HD2#) (( segid " A" and resid 105 and name HN )) 2.475 0.765 0.765 peak 2214 weight 1.00000E+00 volume 1.15988E+08 ppm1 8.316 ppm2 0.727 OR { 2214} ( segid " A" and resid 98 and name HG2#) (( segid " A" and resid 105 and name HN )) ASSI { 3904} (( segid " A" and resid 104 and name HB2 )) (( segid " A" and resid 111 and name HB )) 2.615 0.855 0.855 peak 3904 weight 1.00000E+00 volume 1.74900E+06 ppm1 1.393 ppm2 2.156 ASSI { 3905} (( segid " A" and resid 104 and name HB1 )) (( segid " A" and resid 111 and name HB )) 2.617 0.856 0.856 peak 3905 weight 1.00000E+00 volume 1.74400E+06 ppm1 1.337 ppm2 2.158 ASSI { 2071} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 111 and name HB )) 2.658 0.883 0.883 peak 2071 weight 1.00000E+00 volume 7.55028E+07 ppm1 8.672 ppm2 2.188 OR { 2071} (( segid " A" and resid 103 and name HB1 )) (( segid " A" and resid 104 and name HN )) ASSI { 2595} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 111 and name HN )) 2.943 1.082 1.082 peak 2595 weight 1.00000E+00 volume 4.10300E+07 ppm1 8.446 ppm2 8.684 ASSI { 2604} (( segid " A" and resid 104 and name HB2 )) (( segid " A" and resid 111 and name HN )) 2.803 0.982 0.982 peak 2604 weight 1.00000E+00 volume 5.49600E+07 ppm1 8.447 ppm2 1.350 ASSI { 2780} (( segid " A" and resid 104 and name HN )) (( segid " A" and resid 111 and name HB )) 2.658 0.883 0.883 peak 2780 weight 1.00000E+00 volume 7.55000E+07 ppm1 8.672 ppm2 2.188 ASSI { 3978} ( segid " A" and resid 104 and name HD1#) ( segid " A" and resid 114 and name HB# ) 2.464 0.759 0.759 peak 3978 weight 1.00000E+00 volume 2.50300E+06 ppm1 1.492 ppm2 0.651 ASSI { 2296} (( segid " A" and resid 105 and name HN )) (( segid " A" and resid 99 and name HN )) 2.883 1.039 1.039 peak 2296 weight 1.00000E+00 volume 4.64300E+07 ppm1 8.314 ppm2 9.080 ASSI { 566} (( segid " A" and resid 105 and name HN )) (( segid " A" and resid 104 and name HG )) 2.256 0.636 0.636 peak 566 weight 1.00000E+00 volume 2.02209E+08 ppm1 8.315 ppm2 1.477 ASSI { 2379} (( segid " A" and resid 105 and name HB1 )) (( segid " A" and resid 105 and name HB2 )) 2.246 0.631 0.631 peak 2379 weight 1.00000E+00 volume 4.36053E+06 ppm1 1.512 ppm2 0.861 ASSI { 2382} (( segid " A" and resid 105 and name HB1 )) (( segid " A" and resid 105 and name HG2 )) 2.309 0.666 0.666 peak 2382 weight 1.00000E+00 volume 3.69349E+06 ppm1 1.514 ppm2 1.933 ASSI { 2383} (( segid " A" and resid 105 and name HB2 )) (( segid " A" and resid 105 and name HG2 )) 2.711 0.918 0.918 peak 2383 weight 1.00000E+00 volume 1.41125E+06 ppm1 0.873 ppm2 1.923 ASSI { 2385} (( segid " A" and resid 105 and name HB1 )) ( segid " A" and resid 105 and name HG# ) 2.261 0.639 0.639 peak 2385 weight 1.00000E+00 volume 4.18551E+06 ppm1 1.944 ppm2 1.500 ASSI { 2386} (( segid " A" and resid 105 and name HB2 )) ( segid " A" and resid 105 and name HG# ) 2.192 0.601 0.601 peak 2386 weight 1.00000E+00 volume 5.04831E+06 ppm1 1.944 ppm2 0.854 ASSI { 3920} ( segid " A" and resid 105 and name HG# ) (( segid " A" and resid 105 and name HA )) 2.596 0.842 0.842 peak 3920 weight 1.00000E+00 volume 1.83100E+06 ppm1 1.946 ppm2 4.821 ASSI { 1955} (( segid " A" and resid 105 and name HN )) (( segid " A" and resid 105 and name HA )) 2.581 0.832 0.832 peak 1955 weight 1.00000E+00 volume 9.01978E+07 ppm1 8.313 ppm2 4.822 ASSI { 1961} (( segid " A" and resid 105 and name HN )) (( segid " A" and resid 105 and name HG2 )) 2.466 0.760 0.760 peak 1961 weight 1.00000E+00 volume 1.18425E+08 ppm1 8.313 ppm2 1.908 ASSI { 1962} (( segid " A" and resid 105 and name HN )) (( segid " A" and resid 111 and name HB )) 3.572 1.595 1.595 peak 1962 weight 1.00000E+00 volume 1.28144E+07 ppm1 8.306 ppm2 2.174 ASSI { 3928} ( segid " A" and resid 106 and name HG2#) (( segid " A" and resid 39 and name HB2 )) 2.728 0.931 0.931 peak 3928 weight 1.00000E+00 volume 1.35700E+06 ppm1 -0.153 ppm2 3.077 ASSI { 4295} ( segid " A" and resid 106 and name HG1#) ( segid " A" and resid 39 and name HD# ) 2.467 0.760 0.760 peak 4295 weight 1.00000E+00 volume 2.48595E+06 ppm1 0.261 ppm2 7.078 ASSI { 3828} ( segid " A" and resid 106 and name HG2#) ( segid " A" and resid 88 and name HG2#) 2.966 1.100 1.100 peak 3828 weight 1.00000E+00 volume 8.22200E+05 ppm1 0.691 ppm2 -0.183 ASSI { 2183} ( segid " A" and resid 106 and name HG2#) ( segid " A" and resid 96 and name HG2#) 1.931 0.466 0.466 peak 2183 weight 1.00000E+00 volume 8.87296E+06 ppm1 0.428 ppm2 -0.144 ASSI { 2391} (( segid " A" and resid 106 and name HA )) ( segid " A" and resid 98 and name HD1#) 2.303 0.663 0.663 peak 2391 weight 1.00000E+00 volume 1.71420E+06 ppm1 4.035 ppm2 0.517 ASSI { 2393} (( segid " A" and resid 106 and name HA )) (( segid " A" and resid 98 and name HA )) 2.654 0.881 0.881 peak 2393 weight 1.00000E+00 volume 1.60054E+06 ppm1 4.034 ppm2 4.732 ASSI { 3907} ( segid " A" and resid 106 and name HG1#) ( segid " A" and resid 104 and name HD1#) 2.326 0.676 0.676 peak 3907 weight 1.00000E+00 volume 3.53600E+06 ppm1 0.621 ppm2 0.273 ASSI { 1968} ( segid " A" and resid 106 and name HG1#) (( segid " A" and resid 105 and name HN )) 3.410 1.454 1.454 peak 1968 weight 1.00000E+00 volume 1.69315E+07 ppm1 8.324 ppm2 0.241 ASSI { 2730} (( segid " A" and resid 106 and name HN )) (( segid " A" and resid 105 and name HA )) 2.325 0.675 0.675 peak 2730 weight 1.00000E+00 volume 1.68800E+08 ppm1 8.220 ppm2 4.833 ASSI { 439} (( segid " A" and resid 106 and name HA )) ( segid " A" and resid 106 and name HG1#) 2.490 0.775 0.775 peak 439 weight 1.00000E+00 volume 2.34679E+06 ppm1 4.034 ppm2 0.257 ASSI { 2398} ( segid " A" and resid 106 and name HG1#) (( segid " A" and resid 106 and name HB )) 1.989 0.495 0.495 peak 2398 weight 1.00000E+00 volume 4.79272E+06 ppm1 1.279 ppm2 0.251 ASSI { 2400} (( segid " A" and resid 106 and name HA )) (( segid " A" and resid 106 and name HB )) 2.914 1.061 1.061 peak 2400 weight 1.00000E+00 volume 9.15156E+05 ppm1 1.277 ppm2 4.051 ASSI { 2405} ( segid " A" and resid 106 and name HG1#) ( segid " A" and resid 106 and name HG2#) 1.806 0.408 0.408 peak 2405 weight 1.00000E+00 volume 1.61280E+07 ppm1 -0.147 ppm2 0.241 ASSI { 2399} ( segid " A" and resid 106 and name HG2#) (( segid " A" and resid 106 and name HB )) 1.998 0.499 0.499 peak 2399 weight 1.00000E+00 volume 3.47223E+06 ppm1 1.277 ppm2 -0.144 ASSI { 440} (( segid " A" and resid 106 and name HA )) ( segid " A" and resid 106 and name HG2#) 2.310 0.667 0.667 peak 440 weight 1.00000E+00 volume 1.71364E+06 ppm1 4.033 ppm2 -0.179 ASSI { 1978} ( segid " A" and resid 106 and name HG1#) (( segid " A" and resid 106 and name HN )) 2.488 0.773 0.773 peak 1978 weight 1.00000E+00 volume 7.04040E+07 ppm1 8.219 ppm2 0.246 ASSI { 816} (( segid " A" and resid 106 and name HA )) (( segid " A" and resid 106 and name HN )) 2.811 0.988 0.988 peak 816 weight 1.00000E+00 volume 5.39846E+07 ppm1 8.221 ppm2 4.025 ASSI { 817} (( segid " A" and resid 106 and name HB )) (( segid " A" and resid 106 and name HN )) 2.512 0.789 0.789 peak 817 weight 1.00000E+00 volume 1.06088E+08 ppm1 8.220 ppm2 1.260 ASSI { 2735} ( segid " A" and resid 106 and name HG2#) (( segid " A" and resid 106 and name HN )) 3.105 1.205 1.205 peak 2735 weight 1.00000E+00 volume 2.97300E+07 ppm1 8.220 ppm2 -0.168 ASSI { 437} (( segid " A" and resid 106 and name HA )) (( segid " A" and resid 107 and name HN )) 2.373 0.704 0.704 peak 437 weight 1.00000E+00 volume 5.21590E+07 ppm1 8.799 ppm2 4.033 ASSI { 3930} ( segid " A" and resid 106 and name HG2#) (( segid " A" and resid 107 and name HN )) 2.566 0.823 0.823 peak 3930 weight 1.00000E+00 volume 1.96200E+06 ppm1 -0.143 ppm2 8.798 ASSI { 3936} ( segid " A" and resid 106 and name HG1#) (( segid " A" and resid 107 and name HG1 )) 2.944 1.084 1.084 peak 3936 weight 1.00000E+00 volume 8.59000E+05 ppm1 0.261 ppm2 1.669 ASSI { 438} (( segid " A" and resid 106 and name HB )) (( segid " A" and resid 107 and name HN )) 3.392 1.438 1.438 peak 438 weight 1.00000E+00 volume 1.74961E+07 ppm1 8.800 ppm2 1.294 ASSI { 2477} ( segid " A" and resid 106 and name HG2#) ( segid " A" and resid 109 and name HB# ) 2.305 0.664 0.664 peak 2477 weight 1.00000E+00 volume 2.43953E+06 ppm1 1.493 ppm2 -0.125 ASSI { 2478} ( segid " A" and resid 106 and name HG1#) ( segid " A" and resid 109 and name HB# ) 2.269 0.643 0.643 peak 2478 weight 1.00000E+00 volume 2.88136E+06 ppm1 1.490 ppm2 0.252 ASSI { 1969} (( segid " A" and resid 106 and name HN )) (( segid " A" and resid 109 and name HN )) 2.842 1.009 1.009 peak 1969 weight 1.00000E+00 volume 3.94901E+07 ppm1 8.220 ppm2 8.701 ASSI { 2012} ( segid " A" and resid 106 and name HG1#) (( segid " A" and resid 109 and name HN )) 3.123 1.219 1.219 peak 2012 weight 1.00000E+00 volume 2.87126E+07 ppm1 8.712 ppm2 0.218 ASSI { 2013} ( segid " A" and resid 106 and name HG2#) (( segid " A" and resid 109 and name HN )) 3.251 1.321 1.321 peak 2013 weight 1.00000E+00 volume 2.25548E+07 ppm1 8.711 ppm2 -0.184 ASSI { 2732} (( segid " A" and resid 106 and name HN )) ( segid " A" and resid 109 and name HB# ) 2.525 0.797 0.797 peak 2732 weight 1.00000E+00 volume 1.02900E+08 ppm1 8.219 ppm2 1.478 ASSI { 2746} (( segid " A" and resid 106 and name HA )) (( segid " A" and resid 109 and name HN )) 3.406 1.450 1.450 peak 2746 weight 1.00000E+00 volume 1.70500E+07 ppm1 8.709 ppm2 4.051 ASSI { 3937} ( segid " A" and resid 106 and name HG1#) (( segid " A" and resid 111 and name HB )) 2.993 1.120 1.120 peak 3937 weight 1.00000E+00 volume 7.78300E+05 ppm1 0.262 ppm2 2.157 ASSI { 1764} ( segid " A" and resid 106 and name HG1#) (( segid " A" and resid 111 and name HN )) 3.298 1.360 1.360 peak 1764 weight 1.00000E+00 volume 2.06919E+07 ppm1 8.452 ppm2 0.244 ASSI { 2729} (( segid " A" and resid 106 and name HN )) (( segid " A" and resid 111 and name HN )) 2.976 1.107 1.107 peak 2729 weight 1.00000E+00 volume 3.83200E+07 ppm1 8.220 ppm2 8.442 ASSI { 2424} ( segid " A" and resid 106 and name HG1#) ( segid " A" and resid 126 and name HG2#) 2.199 0.605 0.605 peak 2424 weight 1.00000E+00 volume 4.94638E+06 ppm1 0.261 ppm2 0.934 ASSI { 2846} ( segid " A" and resid 106 and name HG2#) ( segid " A" and resid 126 and name HG2#) 2.380 0.708 0.708 peak 2846 weight 1.00000E+00 volume 1.56080E+06 ppm1 0.915 ppm2 -0.144 ASSI { 4053} ( segid " A" and resid 106 and name HG2#) ( segid " A" and resid 126 and name HD1#) 2.705 0.915 0.915 peak 4053 weight 1.00000E+00 volume 1.42900E+06 ppm1 1.141 ppm2 -0.131 ASSI { 2438} (( segid " A" and resid 107 and name HB1 )) ( segid " A" and resid 96 and name HG2#) 2.697 0.910 0.910 peak 2438 weight 1.00000E+00 volume 1.45327E+06 ppm1 1.502 ppm2 0.460 ASSI { 3884} (( segid " A" and resid 107 and name HB2 )) ( segid " A" and resid 96 and name HG2#) 2.619 0.858 0.858 peak 3884 weight 1.00000E+00 volume 1.73400E+06 ppm1 0.433 ppm2 2.500 ASSI { 2739} (( segid " A" and resid 107 and name HN )) ( segid " A" and resid 97 and name HG# ) 3.415 1.458 1.458 peak 2739 weight 1.00000E+00 volume 1.68000E+07 ppm1 8.800 ppm2 2.055 ASSI { 759} (( segid " A" and resid 107 and name HB2 )) (( segid " A" and resid 107 and name HG2 )) 2.820 0.994 0.994 peak 759 weight 1.00000E+00 volume 1.11351E+06 ppm1 2.513 ppm2 1.295 ASSI { 761} (( segid " A" and resid 107 and name HB2 )) (( segid " A" and resid 107 and name HB1 )) 2.474 0.765 0.765 peak 761 weight 1.00000E+00 volume 2.44318E+06 ppm1 2.515 ppm2 1.725 ASSI { 2436} (( segid " A" and resid 107 and name HB1 )) (( segid " A" and resid 107 and name HG1 )) 2.492 0.777 0.777 peak 2436 weight 1.00000E+00 volume 2.33482E+06 ppm1 1.501 ppm2 1.731 ASSI { 2439} (( segid " A" and resid 107 and name HB2 )) ( segid " A" and resid 107 and name HD# ) 2.682 0.899 0.899 peak 2439 weight 1.00000E+00 volume 1.50432E+06 ppm1 1.795 ppm2 2.489 ASSI { 2448} (( segid " A" and resid 107 and name HG2 )) ( segid " A" and resid 107 and name HE# ) 2.211 0.611 0.611 peak 2448 weight 1.00000E+00 volume 4.79399E+06 ppm1 3.031 ppm2 1.355 ASSI { 2449} ( segid " A" and resid 107 and name HD# ) ( segid " A" and resid 107 and name HE# ) 1.913 0.458 0.458 peak 2449 weight 1.00000E+00 volume 1.14177E+07 ppm1 3.032 ppm2 1.766 ASSI { 2457} (( segid " A" and resid 107 and name HG2 )) (( segid " A" and resid 107 and name HG1 )) 2.210 0.610 0.610 peak 2457 weight 1.00000E+00 volume 4.80601E+06 ppm1 1.358 ppm2 1.705 ASSI { 2459} (( segid " A" and resid 107 and name HB2 )) (( segid " A" and resid 107 and name HG1 )) 2.474 0.765 0.765 peak 2459 weight 1.00000E+00 volume 1.78141E+06 ppm1 1.699 ppm2 2.497 ASSI { 2462} (( segid " A" and resid 107 and name HG1 )) ( segid " A" and resid 107 and name HE# ) 2.616 0.856 0.856 peak 2462 weight 1.00000E+00 volume 1.74530E+06 ppm1 1.698 ppm2 2.988 ASSI { 2463} (( segid " A" and resid 107 and name HG2 )) (( segid " A" and resid 107 and name HA )) 2.853 1.017 1.017 peak 2463 weight 1.00000E+00 volume 1.03856E+06 ppm1 1.356 ppm2 3.659 ASSI { 4124} (( segid " A" and resid 107 and name HB1 )) (( segid " A" and resid 107 and name HG2 )) 2.329 0.678 0.678 peak 4124 weight 1.00000E+00 volume 3.51100E+06 ppm1 1.459 ppm2 1.776 OR { 4124} (( segid " A" and resid 107 and name HG2 )) ( segid " A" and resid 107 and name HD# ) ASSI { 821} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 107 and name HA )) 2.980 1.110 1.110 peak 821 weight 1.00000E+00 volume 3.80709E+07 ppm1 8.804 ppm2 3.638 ASSI { 3942} (( segid " A" and resid 107 and name HG1 )) (( segid " A" and resid 108 and name HN )) 2.620 0.858 0.858 peak 3942 weight 1.00000E+00 volume 1.73000E+06 ppm1 1.700 ppm2 8.918 ASSI { 1984} ( segid " A" and resid 107 and name HE# ) (( segid " A" and resid 108 and name HN )) 2.905 1.055 1.055 peak 1984 weight 1.00000E+00 volume 2.31901E+07 ppm1 8.943 ppm2 3.020 ASSI { 820} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 108 and name HN )) 3.278 1.343 1.343 peak 820 weight 1.00000E+00 volume 2.14643E+07 ppm1 8.935 ppm2 3.643 ASSI { 2742} (( segid " A" and resid 107 and name HB1 )) (( segid " A" and resid 108 and name HN )) 2.719 0.924 0.924 peak 2742 weight 1.00000E+00 volume 6.59100E+07 ppm1 8.947 ppm2 2.484 ASSI { 2743} (( segid " A" and resid 107 and name HG2 )) (( segid " A" and resid 108 and name HN )) 2.702 0.913 0.913 peak 2743 weight 1.00000E+00 volume 6.84600E+07 ppm1 8.944 ppm2 1.701 ASSI { 2747} (( segid " A" and resid 107 and name HG2 )) (( segid " A" and resid 109 and name HN )) 3.019 1.139 1.139 peak 2747 weight 1.00000E+00 volume 3.51900E+07 ppm1 8.710 ppm2 1.736 ASSI { 2467} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HB1 )) 2.041 0.521 0.521 peak 2467 weight 1.00000E+00 volume 6.43399E+06 ppm1 2.638 ppm2 3.058 ASSI { 2471} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HA )) 2.269 0.644 0.644 peak 2471 weight 1.00000E+00 volume 4.10114E+06 ppm1 3.065 ppm2 4.715 ASSI { 2472} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HA )) 2.341 0.685 0.685 peak 2472 weight 1.00000E+00 volume 3.40151E+06 ppm1 2.638 ppm2 4.721 ASSI { 1996} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HD22)) 2.846 1.013 1.013 peak 1996 weight 1.00000E+00 volume 5.01038E+07 ppm1 7.156 ppm2 3.048 ASSI { 2475} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HD21)) 2.783 0.968 0.968 peak 2475 weight 1.00000E+00 volume 1.20579E+06 ppm1 2.643 ppm2 7.617 ASSI { 823} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HN )) 3.150 1.241 1.241 peak 823 weight 1.00000E+00 volume 2.72528E+07 ppm1 8.936 ppm2 2.629 ASSI { 824} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HN )) 3.101 1.202 1.202 peak 824 weight 1.00000E+00 volume 2.99842E+07 ppm1 8.947 ppm2 3.030 ASSI { 1207} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HD21)) 2.592 0.840 0.840 peak 1207 weight 1.00000E+00 volume 8.58892E+07 ppm1 7.639 ppm2 3.048 ASSI { 1990} (( segid " A" and resid 108 and name HD22)) (( segid " A" and resid 108 and name HD21)) 2.176 0.592 0.592 peak 1990 weight 1.00000E+00 volume 2.20039E+08 ppm1 7.156 ppm2 7.636 ASSI { 1994} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HD22)) 2.957 1.093 1.093 peak 1994 weight 1.00000E+00 volume 3.98829E+07 ppm1 7.154 ppm2 2.616 ASSI { 570} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 109 and name HN )) 2.549 0.812 0.812 peak 570 weight 1.00000E+00 volume 9.71167E+07 ppm1 8.710 ppm2 4.692 ASSI { 92} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HN )) 2.474 0.765 0.765 peak 92 weight 1.00000E+00 volume 6.26779E+07 ppm1 8.933 ppm2 8.724 ASSI { 827} ( segid " A" and resid 109 and name HB# ) (( segid " A" and resid 108 and name HN )) 2.791 0.974 0.974 peak 827 weight 1.00000E+00 volume 5.63920E+07 ppm1 8.945 ppm2 1.477 ASSI { 2486} ( segid " A" and resid 109 and name HB# ) (( segid " A" and resid 109 and name HA )) 2.113 0.558 0.558 peak 2486 weight 1.00000E+00 volume 6.28730E+06 ppm1 1.491 ppm2 4.585 ASSI { 826} ( segid " A" and resid 109 and name HB# ) (( segid " A" and resid 109 and name HN )) 2.060 0.530 0.530 peak 826 weight 1.00000E+00 volume 3.48866E+08 ppm1 8.710 ppm2 1.478 ASSI { 825} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 109 and name HN )) 2.308 0.666 0.666 peak 825 weight 1.00000E+00 volume 1.76187E+08 ppm1 8.712 ppm2 4.577 ASSI { 445} ( segid " A" and resid 109 and name HB# ) (( segid " A" and resid 110 and name HN )) 2.282 0.651 0.651 peak 445 weight 1.00000E+00 volume 1.56903E+08 ppm1 8.793 ppm2 1.477 ASSI { 446} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 110 and name HN )) 2.133 0.569 0.569 peak 446 weight 1.00000E+00 volume 2.82853E+08 ppm1 8.793 ppm2 4.573 ASSI { 2883} ( segid " A" and resid 109 and name HB# ) (( segid " A" and resid 128 and name HB )) 2.177 0.592 0.592 peak 2883 weight 1.00000E+00 volume 4.92875E+06 ppm1 3.587 ppm2 1.498 ASSI { 2745} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 128 and name HB )) 3.072 1.180 1.180 peak 2745 weight 1.00000E+00 volume 3.16900E+07 ppm1 8.712 ppm2 3.570 ASSI { 2321} ( segid " A" and resid 110 and name HG2#) (( segid " A" and resid 103 and name HG2 )) 2.115 0.559 0.559 peak 2321 weight 1.00000E+00 volume 2.66865E+06 ppm1 1.777 ppm2 1.038 ASSI { 2320} ( segid " A" and resid 110 and name HG2#) (( segid " A" and resid 103 and name HG1 )) 2.015 0.507 0.507 peak 2320 weight 1.00000E+00 volume 1.90620E+06 ppm1 1.906 ppm2 1.045 ASSI { 2295} ( segid " A" and resid 110 and name HG2#) (( segid " A" and resid 103 and name HB1 )) 2.296 0.659 0.659 peak 2295 weight 1.00000E+00 volume 3.07397E+06 ppm1 2.203 ppm2 1.022 ASSI { 3918} ( segid " A" and resid 110 and name HG2#) ( segid " A" and resid 105 and name HG# ) 2.441 0.745 0.745 peak 3918 weight 1.00000E+00 volume 2.64900E+06 ppm1 1.951 ppm2 1.068 ASSI { 3919} (( segid " A" and resid 110 and name HA )) ( segid " A" and resid 105 and name HG# ) 2.665 0.888 0.888 peak 3919 weight 1.00000E+00 volume 1.56400E+06 ppm1 1.943 ppm2 4.580 ASSI { 2725} ( segid " A" and resid 110 and name HG2#) (( segid " A" and resid 105 and name HN )) 3.641 1.657 1.657 peak 2725 weight 1.00000E+00 volume 1.14300E+07 ppm1 8.318 ppm2 1.068 ASSI { 2671} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 106 and name HN )) 2.692 0.906 0.906 peak 2671 weight 1.00000E+00 volume 2.34700E+07 ppm1 8.270 ppm2 4.582 ASSI { 889} ( segid " A" and resid 110 and name HG2#) (( segid " A" and resid 110 and name HA )) 2.010 0.505 0.505 peak 889 weight 1.00000E+00 volume 8.47846E+06 ppm1 1.050 ppm2 4.596 ASSI { 2500} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 110 and name HB )) 2.449 0.750 0.750 peak 2500 weight 1.00000E+00 volume 2.59687E+06 ppm1 3.809 ppm2 4.582 ASSI { 829} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HB )) 2.332 0.680 0.680 peak 829 weight 1.00000E+00 volume 1.32517E+08 ppm1 8.794 ppm2 3.783 ASSI { 2496} ( segid " A" and resid 110 and name HG2#) (( segid " A" and resid 110 and name HB )) 1.941 0.471 0.471 peak 2496 weight 1.00000E+00 volume 5.83676E+06 ppm1 3.804 ppm2 1.049 ASSI { 828} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 110 and name HN )) 2.210 0.611 0.611 peak 828 weight 1.00000E+00 volume 2.28426E+08 ppm1 8.796 ppm2 4.579 ASSI { 3957} ( segid " A" and resid 110 and name HG2#) (( segid " A" and resid 111 and name HN )) 2.184 0.596 0.596 peak 3957 weight 1.00000E+00 volume 5.15800E+06 ppm1 1.051 ppm2 8.453 ASSI { 174} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 111 and name HN )) 3.029 1.147 1.147 peak 174 weight 1.00000E+00 volume 2.75191E+07 ppm1 8.793 ppm2 8.443 ASSI { 527} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 111 and name HN )) 2.889 1.043 1.043 peak 527 weight 1.00000E+00 volume 4.58013E+07 ppm1 8.450 ppm2 3.782 ASSI { 528} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 111 and name HN )) 2.227 0.620 0.620 peak 528 weight 1.00000E+00 volume 2.18199E+08 ppm1 8.449 ppm2 4.577 ASSI { 2019} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 127 and name HB2 )) 3.433 1.473 1.473 peak 2019 weight 1.00000E+00 volume 1.62806E+07 ppm1 8.794 ppm2 2.439 ASSI { 2753} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 127 and name HB1 )) 3.433 1.473 1.473 peak 2753 weight 1.00000E+00 volume 1.62800E+07 ppm1 8.794 ppm2 2.439 ASSI { 2018} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 128 and name HB )) 2.882 1.038 1.038 peak 2018 weight 1.00000E+00 volume 4.64924E+07 ppm1 8.793 ppm2 3.570 ASSI { 1391} ( segid " A" and resid 111 and name HG# ) (( segid " A" and resid 104 and name HB2 )) 1.780 0.396 0.396 peak 1391 weight 1.00000E+00 volume 1.76165E+07 ppm1 0.898 ppm2 1.346 OR { 1391} ( segid " A" and resid 20 and name HB# ) ( segid " A" and resid 64 and name HD1#) ASSI { 2598} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 105 and name HA )) 2.718 0.923 0.923 peak 2598 weight 1.00000E+00 volume 6.60900E+07 ppm1 8.450 ppm2 4.842 ASSI { 2733} ( segid " A" and resid 111 and name HG1#) (( segid " A" and resid 106 and name HN )) 2.820 0.994 0.994 peak 2733 weight 1.00000E+00 volume 5.29400E+07 ppm1 8.220 ppm2 0.748 ASSI { 1583} ( segid " A" and resid 111 and name HG1#) (( segid " A" and resid 111 and name HA )) 1.808 0.409 0.409 peak 1583 weight 1.00000E+00 volume 1.60342E+07 ppm1 0.865 ppm2 4.355 ASSI { 2524} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HB )) 2.488 0.774 0.774 peak 2524 weight 1.00000E+00 volume 2.35884E+06 ppm1 2.136 ppm2 4.342 ASSI { 2530} ( segid " A" and resid 111 and name HG2#) (( segid " A" and resid 111 and name HB )) 2.029 0.514 0.514 peak 2530 weight 1.00000E+00 volume 8.03157E+06 ppm1 0.731 ppm2 2.156 ASSI { 2533} ( segid " A" and resid 111 and name HG2#) (( segid " A" and resid 111 and name HA )) 2.189 0.599 0.599 peak 2533 weight 1.00000E+00 volume 5.08249E+06 ppm1 0.732 ppm2 4.350 ASSI { 830} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HN )) 2.766 0.956 0.956 peak 830 weight 1.00000E+00 volume 5.94788E+07 ppm1 8.449 ppm2 4.341 ASSI { 831} (( segid " A" and resid 111 and name HB )) (( segid " A" and resid 111 and name HN )) 2.299 0.661 0.661 peak 831 weight 1.00000E+00 volume 1.80222E+08 ppm1 8.449 ppm2 2.157 ASSI { 571} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 112 and name HN )) 2.383 0.710 0.710 peak 571 weight 1.00000E+00 volume 1.45470E+08 ppm1 9.284 ppm2 4.352 ASSI { 572} (( segid " A" and resid 111 and name HB )) (( segid " A" and resid 112 and name HN )) 3.082 1.187 1.187 peak 572 weight 1.00000E+00 volume 3.10989E+07 ppm1 9.283 ppm2 2.174 ASSI { 1604} ( segid " A" and resid 111 and name HG# ) (( segid " A" and resid 124 and name HA )) 2.702 0.913 0.913 peak 1604 weight 1.00000E+00 volume 1.43815E+06 ppm1 0.874 ppm2 5.537 ASSI { 2817} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 125 and name HN )) 3.381 1.429 1.429 peak 2817 weight 1.00000E+00 volume 1.78300E+07 ppm1 9.515 ppm2 4.354 ASSI { 3220} (( segid " A" and resid 111 and name HA )) ( segid " A" and resid 126 and name HG2#) 2.211 0.611 0.611 peak 3220 weight 1.00000E+00 volume 4.78752E+06 ppm1 4.350 ppm2 0.908 OR { 3220} ( segid " A" and resid 111 and name HG1#) (( segid " A" and resid 111 and name HA )) ASSI { 4050} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 126 and name HA )) 2.447 0.748 0.748 peak 4050 weight 1.00000E+00 volume 2.60800E+06 ppm1 5.622 ppm2 4.343 ASSI { 4068} (( segid " A" and resid 111 and name HA )) ( segid " A" and resid 126 and name HG2#) 2.257 0.637 0.637 peak 4068 weight 1.00000E+00 volume 4.23200E+06 ppm1 0.915 ppm2 4.353 ASSI { 2821} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 126 and name HN )) 3.515 1.544 1.544 peak 2821 weight 1.00000E+00 volume 1.41300E+07 ppm1 8.608 ppm2 4.338 ASSI { 2463} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 42 and name HD22)) 2.719 0.924 0.924 peak 2463 weight 1.00000E+00 volume 6.59600E+07 ppm1 7.455 ppm2 0.842 ASSI { 2464} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 42 and name HD21)) 2.489 0.774 0.774 peak 2464 weight 1.00000E+00 volume 1.12000E+08 ppm1 6.839 ppm2 0.841 ASSI { 3948} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 110 and name HB )) 2.686 0.902 0.902 peak 3948 weight 1.00000E+00 volume 1.49200E+06 ppm1 3.806 ppm2 0.869 ASSI { 395} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HN )) 3.334 1.389 1.389 peak 395 weight 1.00000E+00 volume 1.06703E+07 ppm1 9.286 ppm2 8.440 ASSI { 2549} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HB1 )) 1.787 0.399 0.399 peak 2549 weight 1.00000E+00 volume 1.72184E+07 ppm1 1.463 ppm2 1.560 ASSI { 1373} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 112 and name HB2 )) 1.711 0.366 0.366 peak 1373 weight 1.00000E+00 volume 2.23133E+07 ppm1 0.856 ppm2 1.552 ASSI { 2553} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HA )) 2.460 0.756 0.756 peak 2553 weight 1.00000E+00 volume 2.52777E+06 ppm1 1.558 ppm2 4.336 ASSI { 2554} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 112 and name HA )) 2.502 0.783 0.783 peak 2554 weight 1.00000E+00 volume 2.28069E+06 ppm1 1.456 ppm2 4.338 ASSI { 3967} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 112 and name HA )) 2.331 0.679 0.679 peak 3967 weight 1.00000E+00 volume 3.48700E+06 ppm1 0.858 ppm2 4.353 ASSI { 832} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 112 and name HN )) 2.383 0.710 0.710 peak 832 weight 1.00000E+00 volume 1.45470E+08 ppm1 9.281 ppm2 4.336 ASSI { 833} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HN )) 2.550 0.813 0.813 peak 833 weight 1.00000E+00 volume 9.68456E+07 ppm1 9.284 ppm2 1.539 ASSI { 2032} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 112 and name HN )) 2.502 0.783 0.783 peak 2032 weight 1.00000E+00 volume 1.08494E+08 ppm1 9.285 ppm2 0.859 ASSI { 837} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 113 and name HA )) 3.371 1.420 1.420 peak 837 weight 1.00000E+00 volume 1.81657E+07 ppm1 9.282 ppm2 4.558 ASSI { 4031} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 125 and name HB )) 2.734 0.934 0.934 peak 4031 weight 1.00000E+00 volume 1.34100E+06 ppm1 2.217 ppm2 9.301 ASSI { 4037} ( segid " A" and resid 112 and name HD1#) ( segid " A" and resid 125 and name HG2#) 2.139 0.572 0.572 peak 4037 weight 1.00000E+00 volume 5.84900E+06 ppm1 1.383 ppm2 0.855 ASSI { 4039} (( segid " A" and resid 112 and name HB2 )) ( segid " A" and resid 125 and name HG2#) 1.801 0.406 0.406 peak 4039 weight 1.00000E+00 volume 1.63900E+07 ppm1 1.384 ppm2 1.520 ASSI { 2814} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 125 and name HN )) 3.287 1.350 1.350 peak 2814 weight 1.00000E+00 volume 2.11300E+07 ppm1 9.511 ppm2 9.281 ASSI { 3965} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 127 and name HB1 )) 2.170 0.589 0.589 peak 3965 weight 1.00000E+00 volume 5.35600E+06 ppm1 0.858 ppm2 2.476 ASSI { 3968} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 127 and name HA )) 2.179 0.593 0.593 peak 3968 weight 1.00000E+00 volume 5.23500E+06 ppm1 0.858 ppm2 4.562 ASSI { 978} ( segid " A" and resid 112 and name HD1#) (( segid " A" and resid 127 and name HN )) 2.260 0.638 0.638 peak 978 weight 1.00000E+00 volume 1.99965E+08 ppm1 8.077 ppm2 0.866 ASSI { 2766} (( segid " A" and resid 113 and name HN )) ( segid " A" and resid 111 and name HG2#) 2.292 0.657 0.657 peak 2766 weight 1.00000E+00 volume 1.83800E+08 ppm1 7.275 ppm2 0.949 ASSI { 2555} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HB1 )) 2.793 0.975 0.975 peak 2555 weight 1.00000E+00 volume 1.18030E+06 ppm1 1.462 ppm2 7.249 ASSI { 3970} (( segid " A" and resid 113 and name HN )) ( segid " A" and resid 112 and name HD1#) 2.609 0.851 0.851 peak 3970 weight 1.00000E+00 volume 1.77700E+06 ppm1 0.856 ppm2 7.277 ASSI { 15} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HN )) 2.447 0.749 0.749 peak 15 weight 1.00000E+00 volume 6.86466E+07 ppm1 9.283 ppm2 7.277 ASSI { 573} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HB2 )) 2.402 0.721 0.721 peak 573 weight 1.00000E+00 volume 1.38668E+08 ppm1 7.275 ppm2 1.518 ASSI { 835} ( segid " A" and resid 113 and name HB# ) (( segid " A" and resid 113 and name HN )) 2.150 0.578 0.578 peak 835 weight 1.00000E+00 volume 2.70000E+08 ppm1 7.275 ppm2 1.391 ASSI { 2572} ( segid " A" and resid 113 and name HB# ) (( segid " A" and resid 113 and name HA )) 1.891 0.447 0.447 peak 2572 weight 1.00000E+00 volume 1.22434E+07 ppm1 1.409 ppm2 4.562 ASSI { 834} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HA )) 2.598 0.843 0.843 peak 834 weight 1.00000E+00 volume 8.67060E+07 ppm1 7.274 ppm2 4.541 ASSI { 19} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 114 and name HN )) 2.897 1.049 1.049 peak 19 weight 1.00000E+00 volume 4.50756E+07 ppm1 7.275 ppm2 8.697 ASSI { 575} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 114 and name HN )) 1.949 0.475 0.475 peak 575 weight 1.00000E+00 volume 4.86712E+08 ppm1 8.708 ppm2 4.544 ASSI { 841} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 114 and name HA )) 3.324 1.381 1.381 peak 841 weight 1.00000E+00 volume 1.97428E+07 ppm1 7.275 ppm2 5.444 ASSI { 3972} ( segid " A" and resid 113 and name HB# ) ( segid " A" and resid 116 and name HD1#) 1.971 0.486 0.486 peak 3972 weight 1.00000E+00 volume 9.54200E+06 ppm1 1.408 ppm2 0.783 ASSI { 3974} ( segid " A" and resid 113 and name HB# ) (( segid " A" and resid 125 and name HB )) 2.064 0.532 0.532 peak 3974 weight 1.00000E+00 volume 7.24900E+06 ppm1 1.408 ppm2 2.205 ASSI { 18} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 125 and name HN )) 2.671 0.892 0.892 peak 18 weight 1.00000E+00 volume 6.49161E+07 ppm1 7.274 ppm2 9.513 ASSI { 2038} (( segid " A" and resid 113 and name HN )) ( segid " A" and resid 125 and name HG1#) 2.692 0.906 0.906 peak 2038 weight 1.00000E+00 volume 7.00551E+07 ppm1 7.275 ppm2 1.265 ASSI { 2152} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 125 and name HN )) 3.446 1.484 1.484 peak 2152 weight 1.00000E+00 volume 1.59194E+07 ppm1 9.512 ppm2 4.550 ASSI { 2763} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 125 and name HA )) 3.474 1.508 1.508 peak 2763 weight 1.00000E+00 volume 1.51600E+07 ppm1 7.272 ppm2 4.819 ASSI { 2765} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 125 and name HB )) 2.436 0.742 0.742 peak 2765 weight 1.00000E+00 volume 1.27600E+08 ppm1 7.275 ppm2 2.193 ASSI { 2575} (( segid " A" and resid 114 and name HA )) ( segid " A" and resid 114 and name HB# ) 1.976 0.488 0.488 peak 2575 weight 1.00000E+00 volume 5.90325E+06 ppm1 5.461 ppm2 1.470 ASSI { 2591} ( segid " A" and resid 114 and name HB# ) (( segid " A" and resid 114 and name HN )) 1.934 0.467 0.467 peak 2591 weight 1.00000E+00 volume 1.07106E+07 ppm1 1.492 ppm2 8.686 ASSI { 838} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 114 and name HN )) 2.612 0.853 0.853 peak 838 weight 1.00000E+00 volume 8.38477E+07 ppm1 8.707 ppm2 5.424 ASSI { 22} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 115 and name HN )) 3.172 1.257 1.257 peak 22 weight 1.00000E+00 volume 2.61697E+07 ppm1 8.703 ppm2 9.727 ASSI { 577} ( segid " A" and resid 114 and name HB# ) (( segid " A" and resid 115 and name HN )) 2.282 0.651 0.651 peak 577 weight 1.00000E+00 volume 1.64568E+08 ppm1 9.721 ppm2 1.469 ASSI { 578} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 115 and name HN )) 2.358 0.695 0.695 peak 578 weight 1.00000E+00 volume 1.54873E+08 ppm1 9.722 ppm2 5.421 ASSI { 2046} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 115 and name HB1 )) 3.115 1.213 1.213 peak 2046 weight 1.00000E+00 volume 2.91805E+07 ppm1 8.711 ppm2 3.015 ASSI { 3976} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 116 and name HG11)) 2.585 0.835 0.835 peak 3976 weight 1.00000E+00 volume 1.87700E+06 ppm1 5.453 ppm2 0.978 ASSI { 2771} (( segid " A" and resid 114 and name HN )) ( segid " A" and resid 116 and name HD1#) 3.034 1.151 1.151 peak 2771 weight 1.00000E+00 volume 3.41200E+07 ppm1 8.705 ppm2 0.754 ASSI { 2778} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 116 and name HN )) 3.080 1.186 1.186 peak 2778 weight 1.00000E+00 volume 3.11900E+07 ppm1 8.669 ppm2 5.412 ASSI { 2815} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 125 and name HN )) 2.840 1.008 1.008 peak 2815 weight 1.00000E+00 volume 5.08000E+07 ppm1 9.512 ppm2 5.429 ASSI { 768} (( segid " A" and resid 115 and name HA )) (( segid " A" and resid 79 and name HN )) 3.417 1.460 1.460 peak 768 weight 1.00000E+00 volume 1.67211E+07 ppm1 11.655 ppm2 3.904 ASSI { 2596} (( segid " A" and resid 115 and name HA )) (( segid " A" and resid 115 and name HB1 )) 2.410 0.726 0.726 peak 2596 weight 1.00000E+00 volume 2.85462E+06 ppm1 3.901 ppm2 3.040 ASSI { 2603} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 115 and name HB2 )) 1.957 0.479 0.479 peak 2603 weight 1.00000E+00 volume 9.97710E+06 ppm1 3.047 ppm2 2.906 ASSI { 2597} (( segid " A" and resid 115 and name HA )) (( segid " A" and resid 115 and name HB2 )) 2.378 0.707 0.707 peak 2597 weight 1.00000E+00 volume 3.09280E+06 ppm1 3.904 ppm2 2.898 ASSI { 845} (( segid " A" and resid 115 and name HA )) (( segid " A" and resid 115 and name HN )) 2.258 0.637 0.637 peak 845 weight 1.00000E+00 volume 1.49579E+08 ppm1 9.721 ppm2 3.888 ASSI { 846} (( segid " A" and resid 115 and name HB2 )) (( segid " A" and resid 115 and name HN )) 2.923 1.068 1.068 peak 846 weight 1.00000E+00 volume 4.26711E+07 ppm1 9.723 ppm2 2.903 ASSI { 847} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 115 and name HN )) 2.846 1.012 1.012 peak 847 weight 1.00000E+00 volume 5.01444E+07 ppm1 9.719 ppm2 3.013 ASSI { 843} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 116 and name HN )) 3.194 1.275 1.275 peak 843 weight 1.00000E+00 volume 2.50936E+07 ppm1 8.670 ppm2 3.029 ASSI { 2069} (( segid " A" and resid 115 and name HA )) (( segid " A" and resid 116 and name HN )) 2.372 0.703 0.703 peak 2069 weight 1.00000E+00 volume 1.49696E+08 ppm1 8.670 ppm2 3.903 OR { 2069} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 116 and name HN )) ASSI { 2774} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 116 and name HB )) 3.604 1.624 1.624 peak 2774 weight 1.00000E+00 volume 1.21500E+07 ppm1 9.724 ppm2 2.067 ASSI { 2779} (( segid " A" and resid 115 and name HA )) (( segid " A" and resid 116 and name HN )) 2.358 0.695 0.695 peak 2779 weight 1.00000E+00 volume 1.49700E+08 ppm1 8.670 ppm2 3.903 ASSI { 24} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 115 and name HN )) 2.347 0.688 0.688 peak 24 weight 1.00000E+00 volume 1.59431E+08 ppm1 9.721 ppm2 8.684 ASSI { 2248} ( segid " A" and resid 116 and name HG2#) (( segid " A" and resid 116 and name HA )) 2.125 0.564 0.564 peak 2248 weight 1.00000E+00 volume 5.82906E+06 ppm1 0.768 ppm2 3.915 ASSI { 2611} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 116 and name HG11)) 2.351 0.691 0.691 peak 2611 weight 1.00000E+00 volume 3.31689E+06 ppm1 3.914 ppm2 0.984 ASSI { 2612} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 116 and name HG12)) 2.494 0.777 0.777 peak 2612 weight 1.00000E+00 volume 2.32861E+06 ppm1 3.914 ppm2 1.454 ASSI { 849} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 116 and name HB )) 2.238 0.626 0.626 peak 849 weight 1.00000E+00 volume 2.11764E+08 ppm1 8.665 ppm2 2.051 ASSI { 2623} (( segid " A" and resid 116 and name HG11)) ( segid " A" and resid 116 and name HD1#) 1.824 0.416 0.416 peak 2623 weight 1.00000E+00 volume 1.52164E+07 ppm1 0.778 ppm2 0.982 ASSI { 2624} (( segid " A" and resid 116 and name HG12)) ( segid " A" and resid 116 and name HD1#) 1.738 0.377 0.377 peak 2624 weight 1.00000E+00 volume 2.03337E+07 ppm1 0.779 ppm2 1.463 ASSI { 2626} (( segid " A" and resid 116 and name HB )) ( segid " A" and resid 116 and name HD1#) 2.198 0.604 0.604 peak 2626 weight 1.00000E+00 volume 4.96832E+06 ppm1 0.777 ppm2 2.065 ASSI { 2632} (( segid " A" and resid 116 and name HG11)) (( segid " A" and resid 116 and name HG12)) 2.036 0.518 0.518 peak 2632 weight 1.00000E+00 volume 7.85724E+06 ppm1 1.457 ppm2 0.984 ASSI { 2617} (( segid " A" and resid 116 and name HG12)) (( segid " A" and resid 116 and name HB )) 2.262 0.639 0.639 peak 2617 weight 1.00000E+00 volume 4.18461E+06 ppm1 2.065 ppm2 1.446 ASSI { 2640} ( segid " A" and resid 116 and name HG2#) (( segid " A" and resid 116 and name HG11)) 1.934 0.467 0.467 peak 2640 weight 1.00000E+00 volume 1.07018E+07 ppm1 0.771 ppm2 0.987 ASSI { 2619} ( segid " A" and resid 116 and name HG2#) (( segid " A" and resid 116 and name HB )) 2.035 0.518 0.518 peak 2619 weight 1.00000E+00 volume 7.87531E+06 ppm1 2.064 ppm2 0.758 ASSI { 848} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 116 and name HN )) 2.246 0.631 0.631 peak 848 weight 1.00000E+00 volume 2.07543E+08 ppm1 8.664 ppm2 3.894 ASSI { 2073} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 116 and name HG12)) 2.168 0.588 0.588 peak 2073 weight 1.00000E+00 volume 2.56264E+08 ppm1 8.665 ppm2 1.440 ASSI { 2721} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 116 and name HG11)) 2.390 0.714 0.714 peak 2721 weight 1.00000E+00 volume 1.42900E+08 ppm1 8.666 ppm2 0.960 ASSI { 967} ( segid " A" and resid 116 and name HG2#) (( segid " A" and resid 118 and name HN )) 3.043 1.158 1.158 peak 967 weight 1.00000E+00 volume 3.35390E+07 ppm1 8.738 ppm2 0.770 ASSI { 2738} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 118 and name HN )) 3.902 1.903 1.903 peak 2738 weight 1.00000E+00 volume 7.55000E+06 ppm1 8.741 ppm2 3.883 ASSI { 3824} ( segid " A" and resid 116 and name HG2#) (( segid " A" and resid 123 and name HN )) 2.660 0.884 0.884 peak 3824 weight 1.00000E+00 volume 1.58100E+06 ppm1 0.770 ppm2 9.128 ASSI { 4027} (( segid " A" and resid 116 and name HB )) ( segid " A" and resid 123 and name HD1#) 2.867 1.027 1.027 peak 4027 weight 1.00000E+00 volume 1.00800E+06 ppm1 0.681 ppm2 2.074 ASSI { 399} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 123 and name HN )) 2.683 0.900 0.900 peak 399 weight 1.00000E+00 volume 6.33551E+07 ppm1 8.666 ppm2 9.122 ASSI { 2808} (( segid " A" and resid 116 and name HB )) (( segid " A" and resid 123 and name HN )) 2.677 0.896 0.896 peak 2808 weight 1.00000E+00 volume 7.24200E+07 ppm1 9.128 ppm2 2.052 ASSI { 2860} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 123 and name HN )) 3.121 1.218 1.218 peak 2860 weight 1.00000E+00 volume 2.88037E+07 ppm1 9.127 ppm2 3.886 ASSI { 2777} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 125 and name HN )) 3.948 1.949 1.949 peak 2777 weight 1.00000E+00 volume 7.03000E+06 ppm1 8.665 ppm2 9.522 ASSI { 3999} (( segid " A" and resid 117 and name HG2 )) ( segid " A" and resid 78 and name HE# ) 2.753 0.947 0.947 peak 3999 weight 1.00000E+00 volume 1.28700E+06 ppm1 2.342 ppm2 2.890 ASSI { 580} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 116 and name HA )) 1.904 0.453 0.453 peak 580 weight 1.00000E+00 volume 5.58584E+08 ppm1 8.362 ppm2 3.894 ASSI { 3996} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 116 and name HG2#) 2.417 0.730 0.730 peak 3996 weight 1.00000E+00 volume 2.80800E+06 ppm1 0.766 ppm2 8.346 ASSI { 400} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 116 and name HN )) 3.021 1.141 1.141 peak 400 weight 1.00000E+00 volume 3.50674E+07 ppm1 8.662 ppm2 8.365 ASSI { 579} (( segid " A" and resid 117 and name HG1 )) (( segid " A" and resid 117 and name HN )) 2.049 0.525 0.525 peak 579 weight 1.00000E+00 volume 3.59819E+08 ppm1 8.361 ppm2 2.034 ASSI { 2656} (( segid " A" and resid 117 and name HB2 )) (( segid " A" and resid 117 and name HA )) 2.130 0.567 0.567 peak 2656 weight 1.00000E+00 volume 5.98675E+06 ppm1 1.911 ppm2 4.313 ASSI { 2114} (( segid " A" and resid 117 and name HG1 )) (( segid " A" and resid 117 and name HG2 )) 1.783 0.397 0.397 peak 2114 weight 1.00000E+00 volume 1.74528E+07 ppm1 2.340 ppm2 2.008 ASSI { 2666} (( segid " A" and resid 117 and name HA )) (( segid " A" and resid 117 and name HG2 )) 2.532 0.801 0.801 peak 2666 weight 1.00000E+00 volume 2.12553E+06 ppm1 2.339 ppm2 4.313 ASSI { 2667} (( segid " A" and resid 117 and name HA )) (( segid " A" and resid 117 and name HG1 )) 2.467 0.761 0.761 peak 2667 weight 1.00000E+00 volume 2.48269E+06 ppm1 2.023 ppm2 4.314 ASSI { 851} (( segid " A" and resid 117 and name HA )) (( segid " A" and resid 117 and name HN )) 2.559 0.819 0.819 peak 851 weight 1.00000E+00 volume 9.48163E+07 ppm1 8.362 ppm2 4.289 ASSI { 969} (( segid " A" and resid 117 and name HG2 )) (( segid " A" and resid 117 and name HN )) 2.417 0.730 0.730 peak 969 weight 1.00000E+00 volume 1.33553E+08 ppm1 8.362 ppm2 2.321 ASSI { 1175} (( segid " A" and resid 117 and name HB1 )) (( segid " A" and resid 117 and name HN )) 2.080 0.541 0.541 peak 1175 weight 1.00000E+00 volume 3.28900E+08 ppm1 8.362 ppm2 1.957 ASSI { 439} (( segid " A" and resid 117 and name HA )) (( segid " A" and resid 118 and name HN )) 2.085 0.543 0.543 peak 439 weight 1.00000E+00 volume 3.24681E+08 ppm1 8.739 ppm2 4.289 ASSI { 3998} (( segid " A" and resid 117 and name HB2 )) (( segid " A" and resid 118 and name HN )) 2.685 0.901 0.901 peak 3998 weight 1.00000E+00 volume 1.49400E+06 ppm1 1.914 ppm2 8.730 ASSI { 96} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 118 and name HN )) 3.194 1.275 1.275 peak 96 weight 1.00000E+00 volume 2.50839E+07 ppm1 8.743 ppm2 8.352 ASSI { 4013} (( segid " A" and resid 117 and name HA )) ( segid " A" and resid 122 and name HD1#) 2.359 0.696 0.696 peak 4013 weight 1.00000E+00 volume 3.25000E+06 ppm1 0.653 ppm2 4.323 ASSI { 2782} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 122 and name HA )) 3.272 1.338 1.338 peak 2782 weight 1.00000E+00 volume 2.17200E+07 ppm1 8.367 ppm2 4.804 ASSI { 27} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 123 and name HN )) 3.377 1.425 1.425 peak 27 weight 1.00000E+00 volume 1.79619E+07 ppm1 8.364 ppm2 9.128 ASSI { 2137} (( segid " A" and resid 117 and name HA )) (( segid " A" and resid 123 and name HN )) 3.093 1.196 1.196 peak 2137 weight 1.00000E+00 volume 3.04384E+07 ppm1 9.128 ppm2 4.293 ASSI { 2147} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 118 and name HA )) 1.920 0.461 0.461 peak 2147 weight 1.00000E+00 volume 1.11733E+07 ppm1 1.293 ppm2 4.776 ASSI { 854} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 118 and name HN )) 2.218 0.615 0.615 peak 854 weight 1.00000E+00 volume 1.57421E+08 ppm1 8.741 ppm2 1.270 ASSI { 2737} (( segid " A" and resid 118 and name HA )) (( segid " A" and resid 118 and name HN )) 2.441 0.745 0.745 peak 2737 weight 1.00000E+00 volume 1.25800E+08 ppm1 8.741 ppm2 4.801 ASSI { 2618} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 119 and name HG1 )) 2.255 0.636 0.636 peak 2618 weight 1.00000E+00 volume 4.25918E+06 ppm1 2.066 ppm2 1.315 ASSI { 4004} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 119 and name HG2 )) 2.359 0.696 0.696 peak 4004 weight 1.00000E+00 volume 3.24600E+06 ppm1 1.295 ppm2 2.032 ASSI { 581} (( segid " A" and resid 118 and name HA )) (( segid " A" and resid 119 and name HN )) 2.279 0.649 0.649 peak 581 weight 1.00000E+00 volume 1.89939E+08 ppm1 8.918 ppm2 4.755 ASSI { 582} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 119 and name HN )) 2.221 0.616 0.616 peak 582 weight 1.00000E+00 volume 2.22071E+08 ppm1 8.919 ppm2 1.281 ASSI { 2796} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 120 and name HN )) 2.286 0.653 0.653 peak 2796 weight 1.00000E+00 volume 1.38900E+08 ppm1 8.043 ppm2 1.279 ASSI { 4003} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 121 and name HA2 )) 2.944 1.084 1.084 peak 4003 weight 1.00000E+00 volume 8.59200E+05 ppm1 1.289 ppm2 3.595 OR { 4003} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 120 and name HB1 )) ASSI { 2084} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 121 and name HN )) 2.813 0.989 0.989 peak 2084 weight 1.00000E+00 volume 3.79239E+07 ppm1 8.738 ppm2 7.021 ASSI { 2085} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 121 and name HA2 )) 3.641 1.657 1.657 peak 2085 weight 1.00000E+00 volume 1.14295E+07 ppm1 8.739 ppm2 3.545 ASSI { 2787} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 121 and name HA1 )) 3.641 1.657 1.657 peak 2787 weight 1.00000E+00 volume 1.14300E+07 ppm1 8.739 ppm2 3.545 ASSI { 2797} (( segid " A" and resid 118 and name HA )) (( segid " A" and resid 121 and name HN )) 3.120 1.217 1.217 peak 2797 weight 1.00000E+00 volume 2.88800E+07 ppm1 7.019 ppm2 4.757 ASSI { 2802} ( segid " A" and resid 118 and name HB# ) (( segid " A" and resid 121 and name HN )) 2.429 0.738 0.738 peak 2802 weight 1.00000E+00 volume 1.29700E+08 ppm1 7.017 ppm2 1.279 ASSI { 2751} ( segid " A" and resid 118 and name HB# ) ( segid " A" and resid 123 and name HD1#) 1.737 0.377 0.377 peak 2751 weight 1.00000E+00 volume 3.95640E+06 ppm1 0.685 ppm2 1.300 ASSI { 2083} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 123 and name HN )) 3.076 1.183 1.183 peak 2083 weight 1.00000E+00 volume 3.14310E+07 ppm1 8.740 ppm2 9.128 ASSI { 2621} (( segid " A" and resid 119 and name HG1 )) (( segid " A" and resid 119 and name HN )) 2.364 0.699 0.699 peak 2621 weight 1.00000E+00 volume 3.20644E+06 ppm1 2.062 ppm2 8.875 ASSI { 2096} (( segid " A" and resid 119 and name HN )) ( segid " A" and resid 119 and name HB# ) 2.257 0.637 0.637 peak 2096 weight 1.00000E+00 volume 2.01515E+08 ppm1 8.918 ppm2 1.911 ASSI { 2094} (( segid " A" and resid 119 and name HN )) (( segid " A" and resid 119 and name HA )) 2.447 0.748 0.748 peak 2094 weight 1.00000E+00 volume 1.24140E+08 ppm1 8.919 ppm2 4.151 ASSI { 2095} (( segid " A" and resid 119 and name HG2 )) (( segid " A" and resid 119 and name HN )) 2.354 0.692 0.692 peak 2095 weight 1.00000E+00 volume 1.56692E+08 ppm1 8.919 ppm2 2.040 ASSI { 91} (( segid " A" and resid 119 and name HN )) (( segid " A" and resid 120 and name HN )) 2.508 0.786 0.786 peak 91 weight 1.00000E+00 volume 1.07012E+08 ppm1 8.918 ppm2 8.039 ASSI { 2108} (( segid " A" and resid 119 and name HG2 )) (( segid " A" and resid 120 and name HN )) 2.651 0.879 0.879 peak 2108 weight 1.00000E+00 volume 7.66927E+07 ppm1 8.044 ppm2 2.042 ASSI { 2790} (( segid " A" and resid 119 and name HN )) (( segid " A" and resid 121 and name HN )) 3.242 1.314 1.314 peak 2790 weight 1.00000E+00 volume 2.29300E+07 ppm1 8.917 ppm2 7.024 ASSI { 2801} ( segid " A" and resid 119 and name HG# ) (( segid " A" and resid 121 and name HN )) 3.214 1.291 1.291 peak 2801 weight 1.00000E+00 volume 2.41600E+07 ppm1 7.014 ppm2 2.074 ASSI { 2099} (( segid " A" and resid 119 and name HN )) ( segid " A" and resid 123 and name HD1#) 2.669 0.890 0.890 peak 2099 weight 1.00000E+00 volume 7.37253E+07 ppm1 8.920 ppm2 0.678 ASSI { 583} (( segid " A" and resid 120 and name HN )) (( segid " A" and resid 119 and name HA )) 2.923 1.068 1.068 peak 583 weight 1.00000E+00 volume 4.27015E+07 ppm1 8.044 ppm2 4.146 ASSI { 584} (( segid " A" and resid 120 and name HN )) ( segid " A" and resid 119 and name HB# ) 2.669 0.891 0.891 peak 584 weight 1.00000E+00 volume 7.36519E+07 ppm1 8.047 ppm2 1.913 ASSI { 2689} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 120 and name HB2 )) 2.399 0.719 0.719 peak 2689 weight 1.00000E+00 volume 2.63928E+06 ppm1 3.619 ppm2 2.569 ASSI { 2692} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 120 and name HA )) 2.479 0.768 0.768 peak 2692 weight 1.00000E+00 volume 2.41324E+06 ppm1 3.612 ppm2 4.882 ASSI { 2693} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 120 and name HA )) 2.639 0.871 0.871 peak 2693 weight 1.00000E+00 volume 1.65669E+06 ppm1 2.555 ppm2 4.902 ASSI { 234} (( segid " A" and resid 120 and name HD22)) (( segid " A" and resid 120 and name HD21)) 2.584 0.835 0.835 peak 234 weight 1.00000E+00 volume 8.34082E+07 ppm1 8.609 ppm2 7.062 ASSI { 2101} (( segid " A" and resid 120 and name HN )) (( segid " A" and resid 120 and name HA )) 2.858 1.021 1.021 peak 2101 weight 1.00000E+00 volume 4.89277E+07 ppm1 8.043 ppm2 4.877 ASSI { 2107} (( segid " A" and resid 120 and name HN )) (( segid " A" and resid 120 and name HB2 )) 3.000 1.125 1.125 peak 2107 weight 1.00000E+00 volume 3.65243E+07 ppm1 8.042 ppm2 2.529 ASSI { 2794} (( segid " A" and resid 120 and name HN )) (( segid " A" and resid 120 and name HB1 )) 3.101 1.202 1.202 peak 2794 weight 1.00000E+00 volume 2.99500E+07 ppm1 8.045 ppm2 3.617 ASSI { 2875} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 120 and name HD22)) 3.224 1.299 1.299 peak 2875 weight 1.00000E+00 volume 2.37102E+07 ppm1 7.065 ppm2 2.527 ASSI { 2877} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 120 and name HD22)) 3.084 1.189 1.189 peak 2877 weight 1.00000E+00 volume 3.09453E+07 ppm1 7.057 ppm2 3.623 ASSI { 2878} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 120 and name HD21)) 3.069 1.177 1.177 peak 2878 weight 1.00000E+00 volume 3.18751E+07 ppm1 8.606 ppm2 3.609 ASSI { 2879} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 120 and name HD21)) 3.058 1.169 1.169 peak 2879 weight 1.00000E+00 volume 3.25903E+07 ppm1 8.610 ppm2 2.531 ASSI { 4005} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 121 and name HN )) 2.635 0.868 0.868 peak 4005 weight 1.00000E+00 volume 1.67400E+06 ppm1 3.616 ppm2 7.042 ASSI { 35} (( segid " A" and resid 120 and name HN )) (( segid " A" and resid 121 and name HN )) 2.339 0.684 0.684 peak 35 weight 1.00000E+00 volume 1.62778E+08 ppm1 7.018 ppm2 8.040 ASSI { 862} (( segid " A" and resid 120 and name HN )) (( segid " A" and resid 121 and name HA1 )) 3.459 1.496 1.496 peak 862 weight 1.00000E+00 volume 1.55472E+07 ppm1 8.036 ppm2 5.753 ASSI { 867} (( segid " A" and resid 120 and name HA )) (( segid " A" and resid 121 and name HN )) 2.589 0.838 0.838 peak 867 weight 1.00000E+00 volume 8.84965E+07 ppm1 7.018 ppm2 4.874 ASSI { 2799} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 121 and name HN )) 3.204 1.283 1.283 peak 2799 weight 1.00000E+00 volume 2.46400E+07 ppm1 7.017 ppm2 2.549 ASSI { 2698} (( segid " A" and resid 121 and name HA2 )) (( segid " A" and resid 121 and name HA1 )) 2.258 0.637 0.637 peak 2698 weight 1.00000E+00 volume 4.22060E+06 ppm1 3.578 ppm2 5.758 ASSI { 860} (( segid " A" and resid 121 and name HA1 )) (( segid " A" and resid 121 and name HN )) 2.560 0.819 0.819 peak 860 weight 1.00000E+00 volume 9.46533E+07 ppm1 7.018 ppm2 5.766 ASSI { 861} (( segid " A" and resid 121 and name HA2 )) (( segid " A" and resid 121 and name HN )) 2.414 0.728 0.728 peak 861 weight 1.00000E+00 volume 1.34582E+08 ppm1 7.018 ppm2 3.543 ASSI { 3682} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 37 and name HA )) 2.808 0.985 0.985 peak 3682 weight 1.00000E+00 volume 1.14300E+06 ppm1 1.643 ppm2 5.308 ASSI { 2904} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 38 and name HN )) 3.250 1.320 1.320 peak 2904 weight 1.00000E+00 volume 2.26180E+07 ppm1 8.927 ppm2 1.605 ASSI { 3393} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 76 and name HA )) 2.657 0.883 0.883 peak 3393 weight 1.00000E+00 volume 1.58994E+06 ppm1 1.655 ppm2 4.076 ASSI { 2805} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 76 and name HA )) 3.377 1.426 1.426 peak 2805 weight 1.00000E+00 volume 1.79600E+07 ppm1 8.871 ppm2 4.098 ASSI { 2602} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 77 and name HN )) 2.856 1.020 1.020 peak 2602 weight 1.00000E+00 volume 4.90400E+07 ppm1 8.442 ppm2 1.617 ASSI { 3768} ( segid " A" and resid 122 and name HD1#) ( segid " A" and resid 78 and name HE# ) 2.001 0.501 0.501 peak 3768 weight 1.00000E+00 volume 8.70900E+06 ppm1 2.905 ppm2 0.652 ASSI { 4014} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 78 and name HA )) 2.522 0.795 0.795 peak 4014 weight 1.00000E+00 volume 2.17600E+06 ppm1 0.651 ppm2 4.602 ASSI { 3977} ( segid " A" and resid 122 and name HG2#) ( segid " A" and resid 114 and name HB# ) 3.030 1.147 1.147 peak 3977 weight 1.00000E+00 volume 7.24000E+05 ppm1 1.495 ppm2 0.371 ASSI { 2598} ( segid " A" and resid 122 and name HG2#) (( segid " A" and resid 115 and name HA )) 2.204 0.607 0.607 peak 2598 weight 1.00000E+00 volume 4.20873E+06 ppm1 3.903 ppm2 0.379 ASSI { 4012} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 115 and name HA )) 2.542 0.808 0.808 peak 4012 weight 1.00000E+00 volume 2.07300E+06 ppm1 0.649 ppm2 3.895 ASSI { 2776} ( segid " A" and resid 122 and name HG2#) (( segid " A" and resid 115 and name HN )) 2.786 0.970 0.970 peak 2776 weight 1.00000E+00 volume 5.69800E+07 ppm1 9.719 ppm2 0.344 ASSI { 2076} ( segid " A" and resid 122 and name HG2#) (( segid " A" and resid 116 and name HN )) 2.249 0.632 0.632 peak 2076 weight 1.00000E+00 volume 9.04683E+07 ppm1 8.666 ppm2 0.351 ASSI { 2781} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 116 and name HN )) 2.595 0.842 0.842 peak 2781 weight 1.00000E+00 volume 8.72400E+07 ppm1 8.665 ppm2 0.654 ASSI { 2664} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 117 and name HG2 )) 2.424 0.734 0.734 peak 2664 weight 1.00000E+00 volume 1.94587E+06 ppm1 2.339 ppm2 0.643 ASSI { 2786} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 117 and name HN )) 2.715 0.922 0.922 peak 2786 weight 1.00000E+00 volume 6.51200E+07 ppm1 8.362 ppm2 0.656 ASSI { 4002} (( segid " A" and resid 122 and name HN )) ( segid " A" and resid 118 and name HB# ) 2.140 0.573 0.573 peak 4002 weight 1.00000E+00 volume 5.82100E+06 ppm1 1.295 ppm2 8.881 ASSI { 94} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 118 and name HN )) 2.721 0.926 0.926 peak 94 weight 1.00000E+00 volume 6.56229E+07 ppm1 8.736 ppm2 8.895 ASSI { 2086} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 118 and name HN )) 3.296 1.358 1.358 peak 2086 weight 1.00000E+00 volume 2.07849E+07 ppm1 8.743 ppm2 1.616 ASSI { 2089} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 118 and name HN )) 2.407 0.724 0.724 peak 2089 weight 1.00000E+00 volume 1.08571E+08 ppm1 8.740 ppm2 0.648 ASSI { 2788} (( segid " A" and resid 122 and name HG11)) (( segid " A" and resid 118 and name HN )) 3.205 1.284 1.284 peak 2788 weight 1.00000E+00 volume 2.45700E+07 ppm1 8.739 ppm2 1.019 ASSI { 2789} ( segid " A" and resid 122 and name HG2#) (( segid " A" and resid 118 and name HN )) 3.276 1.341 1.341 peak 2789 weight 1.00000E+00 volume 2.15600E+07 ppm1 8.740 ppm2 0.363 ASSI { 2697} (( segid " A" and resid 122 and name HG11)) (( segid " A" and resid 121 and name HA2 )) 2.703 0.913 0.913 peak 2697 weight 1.00000E+00 volume 1.43596E+06 ppm1 3.570 ppm2 1.049 ASSI { 857} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 121 and name HA1 )) 2.398 0.719 0.719 peak 857 weight 1.00000E+00 volume 1.39928E+08 ppm1 8.871 ppm2 5.771 ASSI { 38} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 121 and name HN )) 2.749 0.945 0.945 peak 38 weight 1.00000E+00 volume 6.16888E+07 ppm1 7.016 ppm2 8.885 ASSI { 859} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 121 and name HA2 )) 2.430 0.738 0.738 peak 859 weight 1.00000E+00 volume 1.29465E+08 ppm1 8.870 ppm2 3.536 ASSI { 1360} (( segid " A" and resid 122 and name HB )) ( segid " A" and resid 122 and name HD1#) 2.478 0.767 0.767 peak 1360 weight 1.00000E+00 volume 2.41868E+06 ppm1 1.642 ppm2 0.636 ASSI { 865} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 122 and name HN )) 2.439 0.744 0.744 peak 865 weight 1.00000E+00 volume 1.26586E+08 ppm1 8.871 ppm2 1.612 ASSI { 2708} (( segid " A" and resid 122 and name HB )) ( segid " A" and resid 122 and name HG2#) 2.125 0.565 0.565 peak 2708 weight 1.00000E+00 volume 3.44284E+06 ppm1 1.647 ppm2 0.378 ASSI { 2711} (( segid " A" and resid 122 and name HG11)) ( segid " A" and resid 122 and name HD1#) 1.894 0.448 0.448 peak 2711 weight 1.00000E+00 volume 1.21398E+07 ppm1 0.651 ppm2 1.035 ASSI { 2721} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 122 and name HA )) 2.291 0.656 0.656 peak 2721 weight 1.00000E+00 volume 3.86949E+06 ppm1 0.651 ppm2 4.835 ASSI { 2727} (( segid " A" and resid 122 and name HG11)) (( segid " A" and resid 122 and name HG12)) 1.616 0.326 0.326 peak 2727 weight 1.00000E+00 volume 3.14922E+07 ppm1 1.100 ppm2 1.027 ASSI { 2729} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 122 and name HG12)) 2.275 0.647 0.647 peak 2729 weight 1.00000E+00 volume 4.04067E+06 ppm1 1.096 ppm2 1.644 ASSI { 703} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 122 and name HG11)) 2.150 0.578 0.578 peak 703 weight 1.00000E+00 volume 5.66184E+06 ppm1 1.644 ppm2 1.049 ASSI { 2709} ( segid " A" and resid 122 and name HD1#) ( segid " A" and resid 122 and name HG2#) 1.930 0.466 0.466 peak 2709 weight 1.00000E+00 volume 1.08259E+07 ppm1 0.652 ppm2 0.380 ASSI { 2742} ( segid " A" and resid 122 and name HG2#) (( segid " A" and resid 122 and name HA )) 2.360 0.696 0.696 peak 2742 weight 1.00000E+00 volume 3.23836E+06 ppm1 0.375 ppm2 4.838 ASSI { 864} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 122 and name HA )) 2.735 0.935 0.935 peak 864 weight 1.00000E+00 volume 6.36895E+07 ppm1 8.870 ppm2 4.827 ASSI { 2133} (( segid " A" and resid 122 and name HG11)) (( segid " A" and resid 122 and name HN )) 2.454 0.753 0.753 peak 2133 weight 1.00000E+00 volume 1.22101E+08 ppm1 8.871 ppm2 0.993 ASSI { 2135} (( segid " A" and resid 122 and name HN )) ( segid " A" and resid 122 and name HG2#) 2.769 0.959 0.959 peak 2135 weight 1.00000E+00 volume 4.38014E+07 ppm1 8.869 ppm2 0.348 ASSI { 134} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 123 and name HN )) 3.089 1.193 1.193 peak 134 weight 1.00000E+00 volume 3.06437E+07 ppm1 8.868 ppm2 9.119 ASSI { 586} (( segid " A" and resid 122 and name HB )) (( segid " A" and resid 123 and name HN )) 2.961 1.096 1.096 peak 586 weight 1.00000E+00 volume 3.95308E+07 ppm1 9.129 ppm2 1.611 ASSI { 971} ( segid " A" and resid 122 and name HD1#) (( segid " A" and resid 123 and name HN )) 2.301 0.662 0.662 peak 971 weight 1.00000E+00 volume 1.79257E+08 ppm1 9.127 ppm2 0.662 ASSI { 587} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 123 and name HN )) 2.190 0.599 0.599 peak 587 weight 1.00000E+00 volume 2.41724E+08 ppm1 9.128 ppm2 4.830 ASSI { 2804} (( segid " A" and resid 122 and name HN )) (( segid " A" and resid 123 and name HA )) 3.498 1.530 1.530 peak 2804 weight 1.00000E+00 volume 1.45400E+07 ppm1 8.870 ppm2 4.654 ASSI { 2810} ( segid " A" and resid 122 and name HG2#) (( segid " A" and resid 123 and name HN )) 2.308 0.666 0.666 peak 2810 weight 1.00000E+00 volume 1.27100E+08 ppm1 9.127 ppm2 0.346 ASSI { 2813} ( segid " A" and resid 122 and name HG2#) (( segid " A" and resid 124 and name HN )) 3.616 1.635 1.635 peak 2813 weight 1.00000E+00 volume 1.19100E+07 ppm1 8.794 ppm2 0.338 ASSI { 4142} (( segid " A" and resid 123 and name HG12)) (( segid " A" and resid 38 and name HB )) 2.727 0.929 0.929 peak 4142 weight 1.00000E+00 volume 1.36250E+06 ppm1 1.827 ppm2 0.548 ASSI { 1018} (( segid " A" and resid 123 and name HA )) (( segid " A" and resid 38 and name HN )) 2.712 0.919 0.919 peak 1018 weight 1.00000E+00 volume 6.69746E+07 ppm1 8.921 ppm2 4.636 ASSI { 2905} (( segid " A" and resid 123 and name HG11)) (( segid " A" and resid 38 and name HN )) 3.200 1.280 1.280 peak 2905 weight 1.00000E+00 volume 2.48118E+07 ppm1 8.924 ppm2 1.418 ASSI { 2238} ( segid " A" and resid 123 and name HG2#) ( segid " A" and resid 40 and name HB# ) 1.941 0.471 0.471 peak 2238 weight 1.00000E+00 volume 1.04839E+07 ppm1 0.693 ppm2 1.051 ASSI { 1471} ( segid " A" and resid 123 and name HG2#) (( segid " A" and resid 40 and name HN )) 2.485 0.772 0.772 peak 1471 weight 1.00000E+00 volume 1.13087E+08 ppm1 8.833 ppm2 0.720 ASSI { 3820} (( segid " A" and resid 123 and name HB )) ( segid " A" and resid 116 and name HG2#) 1.992 0.496 0.496 peak 3820 weight 1.00000E+00 volume 8.95900E+06 ppm1 0.767 ppm2 1.444 ASSI { 4023} (( segid " A" and resid 123 and name HB )) (( segid " A" and resid 116 and name HB )) 2.502 0.782 0.782 peak 4023 weight 1.00000E+00 volume 2.28400E+06 ppm1 1.442 ppm2 2.066 ASSI { 700} (( segid " A" and resid 123 and name HB )) ( segid " A" and resid 123 and name HG2#) 1.812 0.411 0.411 peak 700 weight 1.00000E+00 volume 6.18298E+06 ppm1 1.448 ppm2 0.709 ASSI { 2749} ( segid " A" and resid 123 and name HD1#) (( segid " A" and resid 123 and name HG12)) 1.979 0.490 0.490 peak 2749 weight 1.00000E+00 volume 9.30856E+06 ppm1 0.683 ppm2 0.577 ASSI { 2759} (( segid " A" and resid 123 and name HG12)) (( segid " A" and resid 123 and name HG11)) 2.396 0.717 0.717 peak 2759 weight 1.00000E+00 volume 2.96115E+06 ppm1 0.573 ppm2 1.409 ASSI { 2760} ( segid " A" and resid 123 and name HG2#) (( segid " A" and resid 123 and name HG12)) 2.052 0.526 0.526 peak 2760 weight 1.00000E+00 volume 7.50730E+06 ppm1 0.574 ppm2 0.679 ASSI { 2761} ( segid " A" and resid 123 and name HD1#) (( segid " A" and resid 123 and name HG11)) 2.075 0.538 0.538 peak 2761 weight 1.00000E+00 volume 7.00417E+06 ppm1 1.395 ppm2 0.675 ASSI { 4106} ( segid " A" and resid 123 and name HG2#) (( segid " A" and resid 123 and name HA )) 2.198 0.604 0.604 peak 4106 weight 1.00000E+00 volume 4.96800E+06 ppm1 0.691 ppm2 4.651 ASSI { 869} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HA )) 2.757 0.950 0.950 peak 869 weight 1.00000E+00 volume 6.05980E+07 ppm1 9.125 ppm2 4.637 ASSI { 870} (( segid " A" and resid 123 and name HB )) (( segid " A" and resid 123 and name HN )) 2.297 0.659 0.659 peak 870 weight 1.00000E+00 volume 1.81447E+08 ppm1 9.128 ppm2 1.421 ASSI { 4029} ( segid " A" and resid 123 and name HG2#) (( segid " A" and resid 124 and name HA )) 2.627 0.862 0.862 peak 4029 weight 1.00000E+00 volume 1.70500E+06 ppm1 5.560 ppm2 0.730 ASSI { 165} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 124 and name HN )) 3.226 1.301 1.301 peak 165 weight 1.00000E+00 volume 2.36287E+07 ppm1 8.784 ppm2 9.124 ASSI { 973} ( segid " A" and resid 123 and name HG2#) (( segid " A" and resid 124 and name HN )) 2.378 0.707 0.707 peak 973 weight 1.00000E+00 volume 1.47484E+08 ppm1 8.785 ppm2 0.682 ASSI { 588} (( segid " A" and resid 123 and name HA )) (( segid " A" and resid 124 and name HN )) 2.293 0.657 0.657 peak 588 weight 1.00000E+00 volume 1.83254E+08 ppm1 8.785 ppm2 4.637 ASSI { 2812} (( segid " A" and resid 123 and name HG12)) (( segid " A" and resid 124 and name HN )) 2.921 1.066 1.066 peak 2812 weight 1.00000E+00 volume 4.29100E+07 ppm1 8.784 ppm2 0.554 ASSI { 977} ( segid " A" and resid 123 and name HG2#) (( segid " A" and resid 125 and name HN )) 2.626 0.862 0.862 peak 977 weight 1.00000E+00 volume 8.11507E+07 ppm1 9.515 ppm2 0.708 ASSI { 4303} (( segid " A" and resid 124 and name HB1 )) ( segid " A" and resid 39 and name HD# ) 2.814 0.990 0.990 peak 4303 weight 1.00000E+00 volume 1.12833E+06 ppm1 3.036 ppm2 7.090 ASSI { 3912} (( segid " A" and resid 124 and name HB2 )) ( segid " A" and resid 104 and name HD1#) 2.734 0.934 0.934 peak 3912 weight 1.00000E+00 volume 1.34100E+06 ppm1 0.623 ppm2 2.971 ASSI { 2764} (( segid " A" and resid 124 and name HB2 )) (( segid " A" and resid 113 and name HN )) 3.610 1.629 1.629 peak 2764 weight 1.00000E+00 volume 1.20400E+07 ppm1 7.275 ppm2 2.951 ASSI { 3982} (( segid " A" and resid 124 and name HB1 )) ( segid " A" and resid 114 and name HB# ) 2.466 0.760 0.760 peak 3982 weight 1.00000E+00 volume 2.49000E+06 ppm1 1.493 ppm2 3.035 ASSI { 2772} (( segid " A" and resid 124 and name HA )) (( segid " A" and resid 115 and name HN )) 3.128 1.223 1.223 peak 2772 weight 1.00000E+00 volume 2.84600E+07 ppm1 9.718 ppm2 5.539 ASSI { 3990} (( segid " A" and resid 124 and name HA )) ( segid " A" and resid 116 and name HD1#) 2.808 0.985 0.985 peak 3990 weight 1.00000E+00 volume 1.14300E+06 ppm1 0.779 ppm2 5.523 ASSI { 2064} (( segid " A" and resid 124 and name HA )) (( segid " A" and resid 116 and name HN )) 3.022 1.141 1.141 peak 2064 weight 1.00000E+00 volume 3.49879E+07 ppm1 8.665 ppm2 5.535 ASSI { 2768} (( segid " A" and resid 124 and name HB1 )) (( segid " A" and resid 124 and name HB2 )) 1.980 0.490 0.490 peak 2768 weight 1.00000E+00 volume 9.28471E+06 ppm1 3.039 ppm2 2.975 ASSI { 2773} (( segid " A" and resid 124 and name HB1 )) (( segid " A" and resid 124 and name HA )) 2.665 0.888 0.888 peak 2773 weight 1.00000E+00 volume 1.56101E+06 ppm1 3.034 ppm2 5.542 ASSI { 2763} (( segid " A" and resid 124 and name HB2 )) (( segid " A" and resid 124 and name HA )) 2.387 0.712 0.712 peak 2763 weight 1.00000E+00 volume 3.02307E+06 ppm1 5.561 ppm2 2.991 ASSI { 871} (( segid " A" and resid 124 and name HA )) (( segid " A" and resid 124 and name HN )) 2.722 0.926 0.926 peak 871 weight 1.00000E+00 volume 6.55007E+07 ppm1 8.784 ppm2 5.519 ASSI { 872} (( segid " A" and resid 124 and name HB1 )) (( segid " A" and resid 124 and name HN )) 2.629 0.864 0.864 peak 872 weight 1.00000E+00 volume 8.07642E+07 ppm1 8.784 ppm2 3.004 ASSI { 4033} (( segid " A" and resid 124 and name HA )) ( segid " A" and resid 125 and name HG1#) 2.701 0.912 0.912 peak 4033 weight 1.00000E+00 volume 1.44300E+06 ppm1 1.272 ppm2 5.546 ASSI { 590} (( segid " A" and resid 124 and name HB2 )) (( segid " A" and resid 125 and name HN )) 2.645 0.875 0.875 peak 590 weight 1.00000E+00 volume 7.77387E+07 ppm1 9.513 ppm2 2.966 ASSI { 591} (( segid " A" and resid 124 and name HA )) (( segid " A" and resid 125 and name HN )) 2.155 0.580 0.580 peak 591 weight 1.00000E+00 volume 2.66138E+08 ppm1 9.512 ppm2 5.543 ASSI { 1737} ( segid " A" and resid 125 and name HG1#) ( segid " A" and resid 40 and name HB# ) 1.915 0.458 0.458 peak 1737 weight 1.00000E+00 volume 1.13552E+07 ppm1 1.263 ppm2 1.030 ASSI { 4047} ( segid " A" and resid 125 and name HG2#) (( segid " A" and resid 112 and name HN )) 2.955 1.092 1.092 peak 4047 weight 1.00000E+00 volume 8.40700E+05 ppm1 1.381 ppm2 9.259 ASSI { 3989} ( segid " A" and resid 125 and name HG1#) ( segid " A" and resid 116 and name HD1#) 1.877 0.440 0.440 peak 3989 weight 1.00000E+00 volume 1.28000E+07 ppm1 0.779 ppm2 1.287 ASSI { 162} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 124 and name HN )) 2.975 1.106 1.106 peak 162 weight 1.00000E+00 volume 3.84271E+07 ppm1 9.511 ppm2 8.782 ASSI { 875} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 124 and name HN )) 3.349 1.402 1.402 peak 875 weight 1.00000E+00 volume 1.88863E+07 ppm1 8.784 ppm2 4.817 ASSI { 2781} (( segid " A" and resid 125 and name HB )) (( segid " A" and resid 125 and name HA )) 2.423 0.734 0.734 peak 2781 weight 1.00000E+00 volume 2.76647E+06 ppm1 2.202 ppm2 4.859 ASSI { 874} (( segid " A" and resid 125 and name HB )) (( segid " A" and resid 125 and name HN )) 2.416 0.729 0.729 peak 874 weight 1.00000E+00 volume 1.34089E+08 ppm1 9.512 ppm2 2.200 ASSI { 2788} ( segid " A" and resid 125 and name HG1#) (( segid " A" and resid 125 and name HB )) 2.203 0.607 0.607 peak 2788 weight 1.00000E+00 volume 4.89487E+06 ppm1 1.278 ppm2 2.209 ASSI { 2779} ( segid " A" and resid 125 and name HG2#) (( segid " A" and resid 125 and name HB )) 2.055 0.528 0.528 peak 2779 weight 1.00000E+00 volume 7.43450E+06 ppm1 2.209 ppm2 1.395 ASSI { 2803} ( segid " A" and resid 125 and name HG2#) (( segid " A" and resid 125 and name HA )) 2.287 0.654 0.654 peak 2803 weight 1.00000E+00 volume 3.91617E+06 ppm1 1.384 ppm2 4.831 ASSI { 873} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 125 and name HN )) 2.773 0.961 0.961 peak 873 weight 1.00000E+00 volume 5.86260E+07 ppm1 9.512 ppm2 4.819 ASSI { 2155} ( segid " A" and resid 125 and name HG1#) (( segid " A" and resid 125 and name HN )) 2.279 0.649 0.649 peak 2155 weight 1.00000E+00 volume 1.90065E+08 ppm1 9.512 ppm2 1.269 ASSI { 4046} ( segid " A" and resid 125 and name HG2#) (( segid " A" and resid 126 and name HN )) 2.482 0.770 0.770 peak 4046 weight 1.00000E+00 volume 2.39400E+06 ppm1 1.383 ppm2 8.594 ASSI { 327} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 126 and name HN )) 3.313 1.372 1.372 peak 327 weight 1.00000E+00 volume 2.01474E+07 ppm1 8.611 ppm2 9.501 ASSI { 592} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 126 and name HN )) 2.262 0.639 0.639 peak 592 weight 1.00000E+00 volume 1.99110E+08 ppm1 8.607 ppm2 4.816 ASSI { 593} (( segid " A" and resid 125 and name HB )) (( segid " A" and resid 126 and name HN )) 3.316 1.375 1.375 peak 593 weight 1.00000E+00 volume 2.00248E+07 ppm1 8.613 ppm2 2.184 ASSI { 4299} ( segid " A" and resid 126 and name HG2#) ( segid " A" and resid 39 and name HD# ) 2.405 0.723 0.723 peak 4299 weight 1.00000E+00 volume 2.89501E+06 ppm1 0.917 ppm2 7.085 ASSI { 4059} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 40 and name HA )) 2.891 1.045 1.045 peak 4059 weight 1.00000E+00 volume 9.59500E+05 ppm1 1.137 ppm2 4.627 ASSI { 4061} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 41 and name HA )) 2.569 0.825 0.825 peak 4061 weight 1.00000E+00 volume 1.94800E+06 ppm1 1.143 ppm2 5.040 ASSI { 2820} (( segid " A" and resid 126 and name HN )) (( segid " A" and resid 41 and name HA )) 2.642 0.873 0.873 peak 2820 weight 1.00000E+00 volume 7.82400E+07 ppm1 8.607 ppm2 5.008 ASSI { 2454} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 42 and name HN )) 3.302 1.363 1.363 peak 2454 weight 1.00000E+00 volume 2.05700E+07 ppm1 7.053 ppm2 1.154 ASSI { 2481} ( segid " A" and resid 126 and name HG2#) ( segid " A" and resid 109 and name HB# ) 2.132 0.568 0.568 peak 2481 weight 1.00000E+00 volume 5.16789E+06 ppm1 1.493 ppm2 0.909 ASSI { 2822} (( segid " A" and resid 126 and name HB )) ( segid " A" and resid 109 and name HB# ) 2.151 0.578 0.578 peak 2822 weight 1.00000E+00 volume 4.74140E+06 ppm1 1.918 ppm2 1.485 ASSI { 4056} ( segid " A" and resid 126 and name HD1#) ( segid " A" and resid 109 and name HB# ) 2.535 0.803 0.803 peak 4056 weight 1.00000E+00 volume 2.11200E+06 ppm1 1.141 ppm2 1.493 ASSI { 2750} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 110 and name HN )) 2.795 0.977 0.977 peak 2750 weight 1.00000E+00 volume 1.82200E+07 ppm1 8.792 ppm2 5.587 ASSI { 2021} (( segid " A" and resid 126 and name HB )) (( segid " A" and resid 110 and name HN )) 2.959 1.094 1.094 peak 2021 weight 1.00000E+00 volume 3.96946E+07 ppm1 8.794 ppm2 1.903 ASSI { 2759} ( segid " A" and resid 126 and name HG2#) (( segid " A" and resid 110 and name HN )) 2.938 1.079 1.079 peak 2759 weight 1.00000E+00 volume 4.14600E+07 ppm1 8.791 ppm2 0.871 ASSI { 2029} (( segid " A" and resid 126 and name HB )) (( segid " A" and resid 112 and name HN )) 3.615 1.633 1.633 peak 2029 weight 1.00000E+00 volume 1.19457E+07 ppm1 9.289 ppm2 1.890 ASSI { 2760} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 112 and name HN )) 2.679 0.897 0.897 peak 2760 weight 1.00000E+00 volume 5.19200E+07 ppm1 9.284 ppm2 5.599 ASSI { 4060} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 125 and name HA )) 2.773 0.962 0.962 peak 4060 weight 1.00000E+00 volume 1.23000E+06 ppm1 1.147 ppm2 4.799 ASSI { 4070} ( segid " A" and resid 126 and name HG2#) (( segid " A" and resid 125 and name HA )) 2.675 0.894 0.894 peak 4070 weight 1.00000E+00 volume 1.52800E+06 ppm1 0.913 ppm2 4.789 ASSI { 2818} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 125 and name HN )) 3.587 1.608 1.608 peak 2818 weight 1.00000E+00 volume 1.25100E+07 ppm1 9.509 ppm2 1.123 ASSI { 60} (( segid " A" and resid 126 and name HG11)) (( segid " A" and resid 126 and name HG12)) 2.051 0.526 0.526 peak 60 weight 1.00000E+00 volume 7.51415E+06 ppm1 0.834 ppm2 1.325 ASSI { 2051} (( segid " A" and resid 126 and name HB )) (( segid " A" and resid 126 and name HA )) 2.565 0.822 0.822 peak 2051 weight 1.00000E+00 volume 1.65251E+06 ppm1 1.917 ppm2 5.618 ASSI { 2819} (( segid " A" and resid 126 and name HA )) ( segid " A" and resid 126 and name HG2#) 2.190 0.600 0.600 peak 2819 weight 1.00000E+00 volume 3.69857E+06 ppm1 5.619 ppm2 0.909 ASSI { 2820} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 126 and name HA )) 2.844 1.011 1.011 peak 2820 weight 1.00000E+00 volume 1.05695E+06 ppm1 5.623 ppm2 1.143 ASSI { 2823} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 126 and name HB )) 2.439 0.744 0.744 peak 2823 weight 1.00000E+00 volume 2.65656E+06 ppm1 1.920 ppm2 1.158 ASSI { 2830} ( segid " A" and resid 126 and name HD1#) ( segid " A" and resid 126 and name HG2#) 1.923 0.462 0.462 peak 2830 weight 1.00000E+00 volume 9.03098E+06 ppm1 1.140 ppm2 0.924 ASSI { 2831} (( segid " A" and resid 126 and name HG11)) ( segid " A" and resid 126 and name HD1#) 2.061 0.531 0.531 peak 2831 weight 1.00000E+00 volume 7.31208E+06 ppm1 1.143 ppm2 0.809 ASSI { 2853} (( segid " A" and resid 126 and name HB )) ( segid " A" and resid 126 and name HG2#) 2.138 0.571 0.571 peak 2853 weight 1.00000E+00 volume 5.86265E+06 ppm1 0.915 ppm2 1.916 ASSI { 979} ( segid " A" and resid 126 and name HG2#) (( segid " A" and resid 126 and name HN )) 2.517 0.792 0.792 peak 979 weight 1.00000E+00 volume 1.04693E+08 ppm1 8.606 ppm2 0.899 ASSI { 2824} (( segid " A" and resid 126 and name HG11)) (( segid " A" and resid 126 and name HB )) 2.207 0.609 0.609 peak 2824 weight 1.00000E+00 volume 3.46219E+06 ppm1 1.921 ppm2 0.784 ASSI { 879} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 126 and name HN )) 2.872 1.031 1.031 peak 879 weight 1.00000E+00 volume 4.74943E+07 ppm1 8.608 ppm2 5.588 ASSI { 880} (( segid " A" and resid 126 and name HB )) (( segid " A" and resid 126 and name HN )) 2.980 1.110 1.110 peak 880 weight 1.00000E+00 volume 3.80254E+07 ppm1 8.607 ppm2 1.900 ASSI { 2163} (( segid " A" and resid 126 and name HG12)) (( segid " A" and resid 126 and name HN )) 2.170 0.589 0.589 peak 2163 weight 1.00000E+00 volume 2.55074E+08 ppm1 8.607 ppm2 1.338 ASSI { 2164} ( segid " A" and resid 126 and name HD1#) (( segid " A" and resid 126 and name HN )) 2.695 0.908 0.908 peak 2164 weight 1.00000E+00 volume 6.96024E+07 ppm1 8.606 ppm2 1.126 ASSI { 4051} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 127 and name HB1 )) 2.923 1.068 1.068 peak 4051 weight 1.00000E+00 volume 8.97700E+05 ppm1 5.618 ppm2 3.206 ASSI { 876} (( segid " A" and resid 126 and name HB )) (( segid " A" and resid 127 and name HN )) 2.297 0.659 0.659 peak 876 weight 1.00000E+00 volume 1.81477E+08 ppm1 8.077 ppm2 1.902 ASSI { 883} (( segid " A" and resid 126 and name HN )) (( segid " A" and resid 127 and name HA )) 3.374 1.423 1.423 peak 883 weight 1.00000E+00 volume 1.80652E+07 ppm1 8.608 ppm2 4.572 ASSI { 877} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 127 and name HN )) 2.200 0.605 0.605 peak 877 weight 1.00000E+00 volume 2.35077E+08 ppm1 8.077 ppm2 5.597 ASSI { 2827} (( segid " A" and resid 126 and name HG12)) (( segid " A" and resid 127 and name HN )) 2.642 0.873 0.873 peak 2827 weight 1.00000E+00 volume 7.82900E+07 ppm1 8.076 ppm2 1.336 ASSI { 2567} (( segid " A" and resid 126 and name HB )) (( segid " A" and resid 128 and name HN )) 2.270 0.644 0.644 peak 2567 weight 1.00000E+00 volume 1.94900E+08 ppm1 7.348 ppm2 1.881 ASSI { 1706} (( segid " A" and resid 126 and name HG12)) (( segid " A" and resid 128 and name HN )) 2.496 0.779 0.779 peak 1706 weight 1.00000E+00 volume 1.10089E+08 ppm1 7.341 ppm2 1.329 ASSI { 2915} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 128 and name HN )) 2.955 1.091 1.091 peak 2915 weight 1.00000E+00 volume 4.00239E+07 ppm1 7.345 ppm2 5.592 ASSI { 2844} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 44 and name HN )) 3.156 1.245 1.245 peak 2844 weight 1.00000E+00 volume 2.69800E+07 ppm1 8.027 ppm2 4.533 ASSI { 2826} (( segid " A" and resid 127 and name HN )) ( segid " A" and resid 109 and name HB# ) 2.358 0.695 0.695 peak 2826 weight 1.00000E+00 volume 1.55100E+08 ppm1 8.077 ppm2 1.491 ASSI { 172} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 110 and name HN )) 2.742 0.940 0.940 peak 172 weight 1.00000E+00 volume 5.60897E+07 ppm1 8.793 ppm2 8.075 ASSI { 397} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 112 and name HN )) 3.320 1.378 1.378 peak 397 weight 1.00000E+00 volume 1.99012E+07 ppm1 9.283 ppm2 8.070 ASSI { 403} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 126 and name HN )) 3.140 1.232 1.232 peak 403 weight 1.00000E+00 volume 2.78023E+07 ppm1 8.074 ppm2 8.617 ASSI { 2876} (( segid " A" and resid 127 and name HB2 )) (( segid " A" and resid 127 and name HB1 )) 2.209 0.610 0.610 peak 2876 weight 1.00000E+00 volume 4.81434E+06 ppm1 3.240 ppm2 2.477 ASSI { 2878} (( segid " A" and resid 127 and name HB1 )) (( segid " A" and resid 127 and name HA )) 2.394 0.716 0.716 peak 2878 weight 1.00000E+00 volume 2.97290E+06 ppm1 3.245 ppm2 4.565 ASSI { 2879} (( segid " A" and resid 127 and name HB2 )) (( segid " A" and resid 127 and name HA )) 2.561 0.820 0.820 peak 2879 weight 1.00000E+00 volume 1.98538E+06 ppm1 2.470 ppm2 4.560 ASSI { 881} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 127 and name HA )) 2.443 0.746 0.746 peak 881 weight 1.00000E+00 volume 1.25163E+08 ppm1 8.076 ppm2 4.551 ASSI { 882} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 127 and name HB2 )) 2.604 0.848 0.848 peak 882 weight 1.00000E+00 volume 8.54238E+07 ppm1 8.077 ppm2 2.454 ASSI { 1179} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 127 and name HB1 )) 2.606 0.849 0.849 peak 1179 weight 1.00000E+00 volume 8.51232E+07 ppm1 8.077 ppm2 3.223 ASSI { 2825} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 128 and name HB )) 3.401 1.446 1.446 peak 2825 weight 1.00000E+00 volume 1.72000E+07 ppm1 8.080 ppm2 3.574 ASSI { 3639} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 48 and name HD# ) 2.594 0.841 0.841 peak 3639 weight 1.00000E+00 volume 1.83800E+06 ppm1 1.806 ppm2 4.462 ASSI { 2339} ( segid " A" and resid 128 and name HG2#) (( segid " A" and resid 108 and name HD21)) 2.606 0.849 0.849 peak 2339 weight 1.00000E+00 volume 7.62200E+07 ppm1 7.639 ppm2 1.175 ASSI { 1993} ( segid " A" and resid 128 and name HG2#) (( segid " A" and resid 108 and name HD22)) 2.672 0.893 0.893 peak 1993 weight 1.00000E+00 volume 7.31264E+07 ppm1 7.154 ppm2 1.180 OR { 1993} ( segid " A" and resid 53 and name HG2#) (( segid " A" and resid 108 and name HD22)) ASSI { 2744} ( segid " A" and resid 128 and name HG2#) (( segid " A" and resid 108 and name HD22)) 2.368 0.701 0.701 peak 2744 weight 1.00000E+00 volume 7.31300E+07 ppm1 7.154 ppm2 1.180 ASSI { 2568} (( segid " A" and resid 128 and name HN )) ( segid " A" and resid 109 and name HB# ) 2.363 0.698 0.698 peak 2568 weight 1.00000E+00 volume 1.53200E+08 ppm1 7.341 ppm2 1.479 ASSI { 2891} ( segid " A" and resid 128 and name HG2#) ( segid " A" and resid 109 and name HB# ) 2.007 0.503 0.503 peak 2891 weight 1.00000E+00 volume 5.13602E+06 ppm1 1.198 ppm2 1.494 ASSI { 173} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 110 and name HN )) 3.100 1.201 1.201 peak 173 weight 1.00000E+00 volume 3.00077E+07 ppm1 8.794 ppm2 7.332 ASSI { 619} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 127 and name HB2 )) 3.232 1.306 1.306 peak 619 weight 1.00000E+00 volume 2.33588E+07 ppm1 7.336 ppm2 2.474 ASSI { 2565} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 127 and name HA )) 2.777 0.964 0.964 peak 2565 weight 1.00000E+00 volume 5.80700E+07 ppm1 7.342 ppm2 4.551 ASSI { 404} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 127 and name HN )) 2.444 0.747 0.747 peak 404 weight 1.00000E+00 volume 1.25047E+08 ppm1 8.077 ppm2 7.333 ASSI { 2882} ( segid " A" and resid 128 and name HG2#) (( segid " A" and resid 128 and name HB )) 2.143 0.574 0.574 peak 2882 weight 1.00000E+00 volume 4.24961E+06 ppm1 3.584 ppm2 1.200 ASSI { 2897} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 128 and name HG2#) 2.107 0.555 0.555 peak 2897 weight 1.00000E+00 volume 6.39054E+06 ppm1 1.197 ppm2 4.445 ASSI { 884} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 128 and name HN )) 3.195 1.276 1.276 peak 884 weight 1.00000E+00 volume 2.50275E+07 ppm1 7.342 ppm2 4.441 ASSI { 885} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HB )) 2.552 0.814 0.814 peak 885 weight 1.00000E+00 volume 7.49550E+07 ppm1 7.341 ppm2 3.564 ASSI { 2835} ( segid " A" and resid 128 and name HG2#) (( segid " A" and resid 129 and name HN )) 2.270 0.644 0.644 peak 2835 weight 1.00000E+00 volume 1.45900E+08 ppm1 8.822 ppm2 1.181 ASSI { 407} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 129 and name HN )) 2.943 1.082 1.082 peak 407 weight 1.00000E+00 volume 4.10360E+07 ppm1 7.338 ppm2 8.812 ASSI { 609} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 129 and name HN )) 3.268 1.335 1.335 peak 609 weight 1.00000E+00 volume 2.18798E+07 ppm1 8.819 ppm2 3.572 ASSI { 610} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 129 and name HN )) 2.324 0.675 0.675 peak 610 weight 1.00000E+00 volume 1.69244E+08 ppm1 8.822 ppm2 4.434 ASSI { 887} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 129 and name HA )) 3.625 1.642 1.642 peak 887 weight 1.00000E+00 volume 1.17486E+07 ppm1 7.340 ppm2 3.747 ASSI { 4086} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 41 and name HB1 )) 2.494 0.777 0.777 peak 4086 weight 1.00000E+00 volume 2.32700E+06 ppm1 3.767 ppm2 1.581 ASSI { 4091} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 41 and name HB2 )) 2.270 0.644 0.644 peak 4091 weight 1.00000E+00 volume 4.08800E+06 ppm1 -0.085 ppm2 1.572 ASSI { 2456} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 42 and name HN )) 3.645 1.661 1.661 peak 2456 weight 1.00000E+00 volume 1.13600E+07 ppm1 7.055 ppm2 -0.104 ASSI { 2921} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 45 and name HA )) 2.470 0.763 0.763 peak 2921 weight 1.00000E+00 volume 2.46570E+06 ppm1 -0.086 ppm2 4.052 ASSI { 952} ( segid " A" and resid 129 and name HG2#) ( segid " A" and resid 45 and name HB# ) 2.279 0.649 0.649 peak 952 weight 1.00000E+00 volume 3.30956E+06 ppm1 1.351 ppm2 -0.095 ASSI { 3668} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 46 and name HA )) 2.440 0.744 0.744 peak 3668 weight 1.00000E+00 volume 2.65300E+06 ppm1 4.066 ppm2 -0.074 ASSI { 2480} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 46 and name HN )) 2.932 1.075 1.075 peak 2480 weight 1.00000E+00 volume 4.19200E+07 ppm1 7.926 ppm2 -0.106 ASSI { 2937} ( segid " A" and resid 129 and name HG1#) (( segid " A" and resid 49 and name HA )) 2.678 0.897 0.897 peak 2937 weight 1.00000E+00 volume 1.51622E+06 ppm1 0.779 ppm2 4.532 ASSI { 1054} ( segid " A" and resid 129 and name HG2#) ( segid " A" and resid 49 and name HD1#) 2.304 0.664 0.664 peak 1054 weight 1.00000E+00 volume 3.34273E+06 ppm1 1.022 ppm2 -0.087 ASSI { 2490} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 49 and name HN )) 3.627 1.644 1.644 peak 2490 weight 1.00000E+00 volume 1.17100E+07 ppm1 7.378 ppm2 -0.106 ASSI { 1295} (( segid " A" and resid 129 and name HB )) (( segid " A" and resid 53 and name HN )) 3.141 1.233 1.233 peak 1295 weight 1.00000E+00 volume 2.77425E+07 ppm1 8.086 ppm2 1.753 ASSI { 2922} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 128 and name HA )) 2.872 1.031 1.031 peak 2922 weight 1.00000E+00 volume 9.96677E+05 ppm1 -0.089 ppm2 4.440 ASSI { 63} ( segid " A" and resid 129 and name HG1#) ( segid " A" and resid 129 and name HG2#) 2.008 0.504 0.504 peak 63 weight 1.00000E+00 volume 8.53517E+06 ppm1 0.778 ppm2 -0.093 ASSI { 2913} ( segid " A" and resid 129 and name HG1#) (( segid " A" and resid 129 and name HB )) 1.878 0.441 0.441 peak 2913 weight 1.00000E+00 volume 6.80844E+06 ppm1 1.771 ppm2 0.795 ASSI { 2914} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 129 and name HB )) 2.224 0.618 0.618 peak 2914 weight 1.00000E+00 volume 2.70443E+06 ppm1 1.767 ppm2 -0.085 ASSI { 2906} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 129 and name HA )) 2.398 0.719 0.719 peak 2906 weight 1.00000E+00 volume 2.94650E+06 ppm1 3.770 ppm2 -0.093 ASSI { 2944} ( segid " A" and resid 129 and name HG1#) (( segid " A" and resid 129 and name HN )) 2.669 0.891 0.891 peak 2944 weight 1.00000E+00 volume 1.54806E+06 ppm1 0.780 ppm2 8.760 ASSI { 4085} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HB )) 2.372 0.703 0.703 peak 4085 weight 1.00000E+00 volume 3.14400E+06 ppm1 3.770 ppm2 1.764 ASSI { 2934} ( segid " A" and resid 129 and name HG1#) (( segid " A" and resid 129 and name HA )) 2.208 0.609 0.609 peak 2934 weight 1.00000E+00 volume 4.83364E+06 ppm1 0.779 ppm2 3.773 ASSI { 886} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HA )) 2.836 1.005 1.005 peak 886 weight 1.00000E+00 volume 5.12341E+07 ppm1 8.822 ppm2 3.749 ASSI { 1468} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HB )) 2.359 0.696 0.696 peak 1468 weight 1.00000E+00 volume 6.53757E+07 ppm1 8.829 ppm2 1.771 ASSI { 1472} ( segid " A" and resid 129 and name HG2#) (( segid " A" and resid 129 and name HN )) 2.388 0.713 0.713 peak 1472 weight 1.00000E+00 volume 5.42417E+07 ppm1 8.827 ppm2 -0.101
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