NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
538109 |
2lg5   |
17797 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! derived from the 2D file(s):
! Chicken AvBD2 H20
ASSI ( resid 9 and name HN )
( resid 8 and name HA )
6.0 0.1 0.1 peak 0 volume 382.23181 ppm1 9.4258280 ppm2 5.6526570
ASSI ( resid 31 and name HN )
( resid 30 and name HA )
6.0 0.1 0.1 peak 1 volume 461.52231 ppm1 9.3137264 ppm2 5.5114594
ASSI ( resid 30 and name HN )
( resid 30 and name HA )
6.0 0.1 0.1 peak 2 volume 80.18800 ppm1 8.9904661 ppm2 5.5173469
ASSI ( resid 30 and name HN )
( resid 8 and name HA )
6.0 0.1 0.1 peak 3 volume 30.28190 ppm1 8.9917755 ppm2 5.6531959
ASSI ( resid 20 and name HN )
( resid 30 and name HA )
6.0 0.1 0.1 peak 4 volume 48.43910 ppm1 8.8040419 ppm2 5.5100908
ASSI ( resid 8 and name HN )
( resid 8 and name HA )
6.0 0.1 0.1 peak 5 volume 63.68540 ppm1 8.7995396 ppm2 5.6537061
ASSI ( resid 9 and name HD2 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 6 volume 34.70350 ppm1 6.9177866 ppm2 5.6505885
ASSI ( resid 9 and name HN )
( resid 9 and name HA )
6.0 0.1 0.1 peak 7 volume 60.12360 ppm1 9.4276552 ppm2 4.7581735
OR ( resid 9 and name HN )
( resid 13 and name HA )
ASSI ( resid 31 and name HN )
( resid 31 and name HA )
6.0 0.1 0.1 peak 8 volume 67.38360 ppm1 9.3135891 ppm2 4.7459288
ASSI ( resid 10 and name HN )
( resid 9 and name HA )
6.0 0.1 0.1 peak 9 volume 284.44220 ppm1 9.2549000 ppm2 4.7653255
OR ( resid 10 and name HN )
( resid 13 and name HA )
ASSI ( resid 30 and name HN )
( resid 29 and name HA )
6.0 0.1 0.1 peak 10 volume 70.56570 ppm1 8.9927082 ppm2 4.8450465
ASSI ( resid 28 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 11 volume 470.97491 ppm1 9.1375589 ppm2 4.5783563
OR ( resid 28 and name HN )
( resid 27 and name HA )
OR ( resid 28 and name HN )
( resid 10 and name HA )
ASSI ( resid 10 and name HN )
( resid 10 and name HA )
6.0 0.1 0.1 peak 12 volume 76.31950 ppm1 9.2564201 ppm2 4.5521746
ASSI ( resid 9 and name HN )
( resid 27 and name HA )
6.0 0.1 0.1 peak 13 volume 18.67740 ppm1 9.4262609 ppm2 4.5744743
ASSI ( resid 31 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 14 volume 18.68940 ppm1 9.3145075 ppm2 4.4356251
OR ( resid 31 and name HN )
( resid 17 and name HA )
ASSI ( resid 22 and name HN )
( resid 22 and name HA )
6.0 0.1 0.1 peak 15 volume 72.46690 ppm1 8.7282686 ppm2 5.0306368
ASSI ( resid 29 and name HN )
( resid 22 and name HA )
6.0 0.1 0.1 peak 16 volume 161.18100 ppm1 8.5921621 ppm2 5.0291629
ASSI ( resid 8 and name HN )
( resid 7 and name HA )
6.0 0.1 0.1 peak 17 volume 71.09890 ppm1 8.8007517 ppm2 4.7955861
OR ( resid 8 and name HN )
( resid 19 and name HA )
OR ( resid 20 and name HN )
( resid 7 and name HA )
OR ( resid 20 and name HN )
( resid 19 and name HA )
ASSI ( resid 3 and name HN )
( resid 2 and name HA )
6.0 0.1 0.1 peak 18 volume 271.40179 ppm1 8.8846006 ppm2 4.6760345
ASSI ( resid 7 and name HN )
( resid 6 and name HA1 )
6.0 0.1 0.1 peak 19 volume 180.71820 ppm1 8.7475796 ppm2 4.5679049
ASSI ( resid 11 and name HN )
( resid 10 and name HA )
6.0 0.1 0.1 peak 20 volume 487.59100 ppm1 8.6428280 ppm2 4.5573330
ASSI ( resid 29 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 21 volume 391.03619 ppm1 8.5928020 ppm2 4.6054292
ASSI ( resid 20 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 22 volume 93.25050 ppm1 8.8058224 ppm2 4.4282012
ASSI ( resid 3 and name HN )
( resid 3 and name HA )
6.0 0.1 0.1 peak 23 volume 240.97890 ppm1 8.8847179 ppm2 4.3692193
ASSI ( resid 18 and name HN )
( resid 18 and name HA )
6.0 0.1 0.1 peak 24 volume 56.15240 ppm1 8.9465733 ppm2 4.3424349
ASSI ( resid 18 and name HN )
( resid 17 and name HA )
6.0 0.1 0.1 peak 25 volume 289.73849 ppm1 8.9466324 ppm2 4.4311490
ASSI ( resid 19 and name HN )
( resid 18 and name HA )
6.0 0.1 0.1 peak 26 volume 595.89618 ppm1 8.5671844 ppm2 4.3449039
ASSI ( resid 22 and name HN )
( resid 21 and name HA1 )
6.0 0.1 0.1 peak 27 volume 367.67331 ppm1 8.7250490 ppm2 4.2395501
ASSI ( resid 13 and name HN )
( resid 13 and name HA )
6.0 0.1 0.1 peak 28 volume 46.54390 ppm1 8.4887314 ppm2 4.7691350
OR ( resid 13 and name HN )
( resid 9 and name HA )
ASSI ( resid 32 and name HN )
( resid 31 and name HA )
6.0 0.1 0.1 peak 29 volume 259.66721 ppm1 8.3884077 ppm2 4.7460704
ASSI ( resid 32 and name HN )
( resid 32 and name HA )
6.0 0.1 0.1 peak 30 volume 78.87590 ppm1 8.3868151 ppm2 4.5583248
ASSI ( resid 23 and name HN )
( resid 22 and name HA )
6.0 0.1 0.1 peak 31 volume 386.40601 ppm1 8.0938320 ppm2 5.0273576
ASSI ( resid 23 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 32 volume 51.99850 ppm1 8.0934038 ppm2 4.7504921
ASSI ( resid 23 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 33 volume 53.32170 ppm1 8.0938320 ppm2 4.6026006
ASSI ( resid 35 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 34 volume 11.62080 ppm1 7.9216671 ppm2 4.8678331
ASSI ( resid 35 and name HN )
( resid 34 and name HA )
6.0 0.1 0.1 peak 35 volume 48.93410 ppm1 7.9161100 ppm2 4.7622828
ASSI ( resid 24 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 36 volume 94.95010 ppm1 7.7594109 ppm2 4.7472920
OR ( resid 24 and name HN )
( resid 31 and name HA )
OR ( resid 6 and name HN )
( resid 23 and name HA )
OR ( resid 6 and name HN )
( resid 31 and name HA )
ASSI ( resid 34 and name HE3 )
( resid 34 and name HA )
6.0 0.1 0.1 peak 37 volume 16.30110 ppm1 7.6727452 ppm2 4.7681785
ASSI ( resid 6 and name HN )
( resid 6 and name HA1 )
6.0 0.1 0.1 peak 38 volume 95.13570 ppm1 7.7462244 ppm2 4.5712686
OR ( resid 6 and name HN )
( resid 27 and name HA )
OR ( resid 24 and name HN )
( resid 6 and name HA1 )
OR ( resid 24 and name HN )
( resid 27 and name HA )
ASSI ( resid 21 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 39 volume 155.65970 ppm1 7.8038402 ppm2 4.4296751
ASSI ( resid 36 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 40 volume 26.16410 ppm1 7.5716057 ppm2 4.8543139
OR ( resid 35 and name HD21 )
( resid 35 and name HA )
ASSI ( resid 32 and name HE3 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 41 volume 128.50200 ppm1 7.5340734 ppm2 4.5586934
ASSI ( resid 17 and name HN )
( resid 17 and name HA )
6.0 0.1 0.1 peak 42 volume 98.25910 ppm1 7.6064391 ppm2 4.4318862
ASSI ( resid 17 and name HN )
( resid 16 and name HA )
6.0 0.1 0.1 peak 43 volume 50.76220 ppm1 7.6064391 ppm2 4.3093863
ASSI ( resid 2 and name HD1 )
( resid 2 and name HA )
6.0 0.1 0.1 peak 44 volume 104.27990 ppm1 7.3060546 ppm2 4.6746740
OR ( resid 2 and name HD2 )
( resid 2 and name HA )
ASSI ( resid 10 and name HD1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 45 volume 167.97780 ppm1 7.2956276 ppm2 4.5561934
OR ( resid 10 and name HD2 )
( resid 10 and name HA )
ASSI ( resid 32 and name HD1 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 46 volume 33.54040 ppm1 7.2481213 ppm2 4.5580702
ASSI ( resid 27 and name HN )
( resid 27 and name HA )
6.0 0.1 0.1 peak 47 volume 96.30300 ppm1 7.0620270 ppm2 4.5741687
ASSI ( resid 26 and name HD1 )
( resid 26 and name HA )
6.0 0.1 0.1 peak 48 volume 106.48020 ppm1 7.2020402 ppm2 4.3738956
OR ( resid 26 and name HD2 )
( resid 26 and name HA )
ASSI ( resid 27 and name HN )
( resid 26 and name HA )
6.0 0.1 0.1 peak 49 volume 88.18900 ppm1 7.0658159 ppm2 4.3713164
ASSI ( resid 34 and name HN )
( resid 34 and name HA )
6.0 0.1 0.1 peak 50 volume 48.14130 ppm1 6.9933910 ppm2 4.7600722
OR ( resid 34 and name HZ3 )
( resid 34 and name HA )
ASSI ( resid 10 and name HD1 )
( resid 9 and name HA )
6.0 0.1 0.1 peak 51 volume 17.75300 ppm1 7.3059368 ppm2 4.7539220
OR ( resid 10 and name HD2 )
( resid 9 and name HA )
ASSI ( resid 24 and name HD1 )
( resid 24 and name HA )
6.0 0.1 0.1 peak 52 volume 101.39080 ppm1 7.1106143 ppm2 4.1561632
OR ( resid 24 and name HD2 )
( resid 24 and name HA )
ASSI ( resid 34 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 53 volume 156.74699 ppm1 6.9971209 ppm2 4.1554260
ASSI ( resid 26 and name HN )
( resid 26 and name HA )
6.0 0.1 0.1 peak 54 volume 1041.76782 ppm1 8.2824907 ppm2 4.3723927
OR ( resid 26 and name HN )
( resid 3 and name HA )
OR ( resid 26 and name HN )
( resid 14 and name HA )
OR ( resid 4 and name HN )
( resid 26 and name HA )
OR ( resid 4 and name HN )
( resid 3 and name HA )
OR ( resid 4 and name HN )
( resid 14 and name HA )
OR ( resid 15 and name HN )
( resid 26 and name HA )
OR ( resid 15 and name HN )
( resid 3 and name HA )
OR ( resid 15 and name HN )
( resid 14 and name HA )
ASSI ( resid 16 and name HN )
( resid 16 and name HA )
6.0 0.1 0.1 peak 55 volume 284.53119 ppm1 8.3318748 ppm2 4.3057017
ASSI ( resid 25 and name HN )
( resid 24 and name HA )
6.0 0.1 0.1 peak 56 volume 453.43051 ppm1 8.2551765 ppm2 4.1574817
OR ( resid 26 and name HN )
( resid 24 and name HA )
ASSI ( resid 4 and name HN )
( resid 4 and name HA )
6.0 0.1 0.1 peak 57 volume 78.66310 ppm1 8.2782164 ppm2 4.0399275
ASSI ( resid 15 and name HN )
( resid 15 and name HA )
6.0 0.1 0.1 peak 58 volume 153.42310 ppm1 8.2960300 ppm2 3.9326839
ASSI ( resid 16 and name HN )
( resid 15 and name HA )
6.0 0.1 0.1 peak 59 volume 329.34741 ppm1 8.3314466 ppm2 3.9313161
ASSI ( resid 13 and name HN )
( resid 12 and name HA2 )
6.0 0.1 0.1 peak 60 volume 490.76370 ppm1 8.4873257 ppm2 3.9066267
OR ( resid 13 and name HN )
( resid 12 and name HA1 )
ASSI ( resid 11 and name HN )
( resid 11 and name HA1 )
6.0 0.1 0.1 peak 61 volume 161.51230 ppm1 8.6428280 ppm2 4.0072474
ASSI ( resid 22 and name HN )
( resid 21 and name HA2 )
6.0 0.1 0.1 peak 62 volume 260.68579 ppm1 8.7262564 ppm2 3.9016604
OR ( resid 22 and name HN )
( resid 22 and name HB1 )
ASSI ( resid 7 and name HN )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 63 volume 65.49110 ppm1 8.7469015 ppm2 3.8337588
ASSI ( resid 2 and name HN )
( resid 1 and name HA )
6.0 0.1 0.1 peak 64 volume 54.02620 ppm1 8.7547293 ppm2 3.9074795
ASSI ( resid 8 and name HN )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 65 volume 51.92410 ppm1 8.7986736 ppm2 3.8370750
ASSI ( resid 8 and name HN )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 66 volume 147.34050 ppm1 8.8015633 ppm2 3.6710911
OR ( resid 8 and name HN )
( resid 28 and name HB1 )
OR ( resid 20 and name HN )
( resid 7 and name HB2 )
OR ( resid 20 and name HN )
( resid 28 and name HB1 )
ASSI ( resid 7 and name HN )
( resid 6 and name HA2 )
6.0 0.1 0.1 peak 67 volume 340.58719 ppm1 8.7481251 ppm2 3.6424420
OR ( resid 7 and name HN )
( resid 28 and name HB1 )
OR ( resid 7 and name HN )
( resid 28 and name HB2 )
OR ( resid 22 and name HN )
( resid 6 and name HA2 )
OR ( resid 22 and name HN )
( resid 28 and name HB1 )
OR ( resid 22 and name HN )
( resid 28 and name HB2 )
ASSI ( resid 11 and name HN )
( resid 11 and name HA2 )
6.0 0.1 0.1 peak 68 volume 325.56750 ppm1 8.6419735 ppm2 3.5055726
ASSI ( resid 22 and name HN )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 69 volume 199.12410 ppm1 8.7291241 ppm2 3.6907389
OR ( resid 22 and name HN )
( resid 7 and name HB2 )
OR ( resid 7 and name HN )
( resid 22 and name HB2 )
OR ( resid 7 and name HN )
( resid 7 and name HB2 )
ASSI ( resid 29 and name HN )
( resid 28 and name HB2 )
6.0 0.1 0.1 peak 70 volume 114.63890 ppm1 8.5908155 ppm2 3.6435106
OR ( resid 29 and name HN )
( resid 28 and name HB1 )
OR ( resid 29 and name HN )
( resid 6 and name HA2 )
ASSI ( resid 5 and name HN )
( resid 5 and name HA1 )
6.0 0.1 0.1 peak 71 volume 123.43570 ppm1 9.0334139 ppm2 4.1602163
ASSI ( resid 5 and name HN )
( resid 4 and name HA )
6.0 0.1 0.1 peak 72 volume 539.11267 ppm1 9.0344009 ppm2 4.0399504
ASSI ( resid 5 and name HN )
( resid 5 and name HA2 )
6.0 0.1 0.1 peak 73 volume 322.81812 ppm1 9.0320091 ppm2 3.8329720
ASSI ( resid 28 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 74 volume 237.71390 ppm1 9.1373701 ppm2 3.6672707
OR ( resid 28 and name HN )
( resid 28 and name HB2 )
ASSI ( resid 9 and name HN )
( resid 28 and name HB2 )
6.0 0.1 0.1 peak 75 volume 31.01180 ppm1 9.4283152 ppm2 3.6600916
OR ( resid 9 and name HN )
( resid 28 and name HB1 )
ASSI ( resid 9 and name HN )
( resid 9 and name HB1 )
6.0 0.1 0.1 peak 76 volume 77.44020 ppm1 9.4273024 ppm2 3.2804706
ASSI ( resid 10 and name HN )
( resid 9 and name HB1 )
6.0 0.1 0.1 peak 77 volume 68.98820 ppm1 9.2555065 ppm2 3.2812076
ASSI ( resid 10 and name HN )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 78 volume 121.71270 ppm1 9.2559347 ppm2 3.1363454
ASSI ( resid 10 and name HN )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 79 volume 179.71170 ppm1 9.2559347 ppm2 2.9853327
OR ( resid 10 and name HN )
( resid 14 and name HD1 )
ASSI ( resid 10 and name HN )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 80 volume 15.09430 ppm1 9.2542830 ppm2 2.9053481
ASSI ( resid 28 and name HN )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 81 volume 24.94010 ppm1 9.1373110 ppm2 2.8998210
ASSI ( resid 9 and name HN )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 82 volume 180.96420 ppm1 9.4277296 ppm2 2.8965049
ASSI ( resid 3 and name HN )
( resid 3 and name HB1 )
6.0 0.1 0.1 peak 83 volume 129.82291 ppm1 8.8858833 ppm2 3.1668143
OR ( resid 3 and name HN )
( resid 2 and name HB1 )
ASSI ( resid 3 and name HN )
( resid 2 and name HB2 )
6.0 0.1 0.1 peak 84 volume 48.07900 ppm1 8.8842325 ppm2 3.0421040
ASSI ( resid 8 and name HN )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 85 volume 265.24481 ppm1 8.7998972 ppm2 2.8796692
OR ( resid 8 and name HN )
( resid 19 and name HE2 )
OR ( resid 8 and name HN )
( resid 19 and name HE1 )
OR ( resid 20 and name HN )
( resid 8 and name HB1 )
OR ( resid 20 and name HN )
( resid 19 and name HE2 )
OR ( resid 20 and name HN )
( resid 19 and name HE1 )
ASSI ( resid 11 and name HN )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 86 volume 53.77540 ppm1 8.6424007 ppm2 3.1378193
ASSI ( resid 11 and name HN )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 87 volume 25.42090 ppm1 8.6436834 ppm2 2.9874301
OR ( resid 11 and name HN )
( resid 14 and name HD1 )
ASSI ( resid 29 and name HN )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 88 volume 27.64430 ppm1 8.5899086 ppm2 2.8845580
ASSI ( resid 25 and name HN )
( resid 25 and name HA1 )
6.0 0.1 0.1 peak 89 volume 384.03091 ppm1 8.2638578 ppm2 3.7121096
OR ( resid 26 and name HN )
( resid 25 and name HA1 )
ASSI ( resid 15 and name HN )
( resid 15 and name HB1 )
6.0 0.1 0.1 peak 90 volume 286.61179 ppm1 8.2948265 ppm2 3.6488991
ASSI ( resid 16 and name HN )
( resid 15 and name HB1 )
6.0 0.1 0.1 peak 91 volume 75.80630 ppm1 8.3318748 ppm2 3.6530142
ASSI ( resid 16 and name HN )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 92 volume 46.14920 ppm1 8.3310194 ppm2 3.5572991
ASSI ( resid 23 and name HN )
( resid 22 and name HB1 )
6.0 0.1 0.1 peak 93 volume 133.64850 ppm1 8.0951138 ppm2 3.8598063
ASSI ( resid 23 and name HN )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 94 volume 124.11200 ppm1 8.0942593 ppm2 3.6897469
ASSI ( resid 16 and name HN )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 95 volume 51.22200 ppm1 8.3293095 ppm2 3.3376105
ASSI ( resid 25 and name HN )
( resid 25 and name HA2 )
6.0 0.1 0.1 peak 96 volume 530.72571 ppm1 8.2618198 ppm2 3.3356745
OR ( resid 25 and name HN )
( resid 26 and name HB1 )
OR ( resid 26 and name HN )
( resid 25 and name HA2 )
OR ( resid 26 and name HN )
( resid 26 and name HB1 )
ASSI ( resid 26 and name HN )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 97 volume 91.29190 ppm1 8.2713709 ppm2 3.1839807
OR ( resid 26 and name HN )
( resid 2 and name HB1 )
OR ( resid 4 and name HN )
( resid 26 and name HB2 )
OR ( resid 4 and name HN )
( resid 2 and name HB1 )
ASSI ( resid 23 and name HN )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 98 volume 181.33910 ppm1 8.0942593 ppm2 3.1132457
OR ( resid 23 and name HN )
( resid 23 and name HB2 )
ASSI ( resid 12 and name HN )
( resid 11 and name HA1 )
6.0 0.1 0.1 peak 99 volume 140.34880 ppm1 7.9765496 ppm2 4.0116692
ASSI ( resid 12 and name HN )
( resid 12 and name HA2 )
6.0 0.1 0.1 peak 100 volume 340.49911 ppm1 7.9756355 ppm2 3.9045320
OR ( resid 12 and name HN )
( resid 12 and name HA1 )
ASSI ( resid 21 and name HN )
( resid 21 and name HA2 )
6.0 0.1 0.1 peak 101 volume 181.35260 ppm1 7.8050637 ppm2 3.9052689
ASSI ( resid 6 and name HN )
( resid 5 and name HA2 )
6.0 0.1 0.1 peak 102 volume 59.14870 ppm1 7.7450542 ppm2 3.8344784
ASSI ( resid 6 and name HN )
( resid 4 and name HA )
6.0 0.1 0.1 peak 103 volume 34.96640 ppm1 7.7464433 ppm2 4.0418153
ASSI ( resid 6 and name HN )
( resid 6 and name HA2 )
6.0 0.1 0.1 peak 104 volume 196.82840 ppm1 7.7449398 ppm2 3.6395953
ASSI ( resid 21 and name HN )
( resid 21 and name HA1 )
6.0 0.1 0.1 peak 105 volume 115.57340 ppm1 7.8054910 ppm2 4.2393503
ASSI ( resid 24 and name HN )
( resid 24 and name HA )
6.0 0.1 0.1 peak 106 volume 184.36349 ppm1 7.7569036 ppm2 4.1597342
OR ( resid 24 and name HN )
( resid 5 and name HA1 )
OR ( resid 6 and name HN )
( resid 24 and name HA )
OR ( resid 6 and name HN )
( resid 5 and name HA1 )
ASSI ( resid 36 and name HN )
( resid 36 and name HA )
6.0 0.1 0.1 peak 107 volume 70.82370 ppm1 7.5692167 ppm2 4.0222416
ASSI ( resid 17 and name HN )
( resid 15 and name HA )
6.0 0.1 0.1 peak 108 volume 30.92680 ppm1 7.6071787 ppm2 3.9362941
OR ( resid 17 and name HN )
( resid 33 and name HD1 )
ASSI ( resid 32 and name HE3 )
( resid 33 and name HD1 )
6.0 0.1 0.1 peak 109 volume 73.26010 ppm1 7.5322461 ppm2 3.9361062
ASSI ( resid 12 and name HN )
( resid 11 and name HA2 )
6.0 0.1 0.1 peak 110 volume 76.92330 ppm1 7.9776597 ppm2 3.5014875
ASSI ( resid 35 and name HN )
( resid 34 and name HB1 )
6.0 0.1 0.1 peak 111 volume 58.16540 ppm1 7.9148273 ppm2 3.3721328
ASSI ( resid 34 and name HE3 )
( resid 34 and name HB2 )
6.0 0.1 0.1 peak 112 volume 196.25810 ppm1 7.6717725 ppm2 3.3556652
ASSI ( resid 24 and name HN )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 113 volume 222.48801 ppm1 7.7592764 ppm2 3.1138408
OR ( resid 24 and name HN )
( resid 23 and name HB1 )
ASSI ( resid 32 and name HE3 )
( resid 33 and name HD2 )
6.0 0.1 0.1 peak 114 volume 148.51930 ppm1 7.5341697 ppm2 3.4534321
ASSI ( resid 17 and name HN )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 115 volume 26.05060 ppm1 7.6077304 ppm2 3.5577760
ASSI ( resid 24 and name HN )
( resid 24 and name HB1 )
6.0 0.1 0.1 peak 116 volume 114.14390 ppm1 7.7592764 ppm2 2.9504988
ASSI ( resid 24 and name HN )
( resid 24 and name HB2 )
6.0 0.1 0.1 peak 117 volume 97.86620 ppm1 7.7588019 ppm2 2.8566377
ASSI ( resid 35 and name HN )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 118 volume 55.62060 ppm1 7.9146094 ppm2 2.7936854
ASSI ( resid 35 and name HD21 )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 119 volume 55.76900 ppm1 7.5770488 ppm2 2.7952631
OR ( resid 36 and name HN )
( resid 35 and name HB1 )
ASSI ( resid 26 and name HD1 )
( resid 25 and name HA2 )
6.0 0.1 0.1 peak 120 volume 148.77170 ppm1 7.2020478 ppm2 3.3450933
OR ( resid 26 and name HD1 )
( resid 26 and name HB1 )
OR ( resid 26 and name HD2 )
( resid 25 and name HA2 )
OR ( resid 26 and name HD2 )
( resid 26 and name HB1 )
ASSI ( resid 34 and name HD1 )
( resid 34 and name HB2 )
6.0 0.1 0.1 peak 121 volume 200.80290 ppm1 7.1481895 ppm2 3.3486037
OR ( resid 34 and name HD1 )
( resid 16 and name HB2 )
OR ( resid 32 and name HZ3 )
( resid 34 and name HB2 )
OR ( resid 32 and name HZ3 )
( resid 16 and name HB2 )
OR ( resid 34 and name HH2 )
( resid 34 and name HB2 )
OR ( resid 34 and name HH2 )
( resid 16 and name HB2 )
ASSI ( resid 26 and name HD2 )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 122 volume 171.75520 ppm1 7.2023969 ppm2 3.1935987
OR ( resid 26 and name HD1 )
( resid 26 and name HB2 )
ASSI ( resid 2 and name HD1 )
( resid 2 and name HB1 )
6.0 0.1 0.1 peak 123 volume 207.04790 ppm1 7.3088651 ppm2 3.1671591
OR ( resid 2 and name HD1 )
( resid 3 and name HB1 )
OR ( resid 2 and name HD2 )
( resid 2 and name HB1 )
OR ( resid 2 and name HD2 )
( resid 3 and name HB1 )
ASSI ( resid 2 and name HD2 )
( resid 2 and name HB2 )
6.0 0.1 0.1 peak 124 volume 165.57091 ppm1 7.3076549 ppm2 3.0368891
OR ( resid 2 and name HD1 )
( resid 2 and name HB2 )
ASSI ( resid 10 and name HD1 )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 125 volume 176.73621 ppm1 7.2950149 ppm2 2.9855876
OR ( resid 10 and name HD2 )
( resid 10 and name HB2 )
OR ( resid 26 and name HZ )
( resid 10 and name HB2 )
ASSI ( resid 10 and name HD2 )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 126 volume 210.05840 ppm1 7.2950816 ppm2 3.1366854
OR ( resid 10 and name HD1 )
( resid 10 and name HB1 )
OR ( resid 26 and name HZ )
( resid 10 and name HB1 )
ASSI ( resid 10 and name HZ )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 127 volume 109.42270 ppm1 7.3840289 ppm2 2.8808825
OR ( resid 10 and name HZ )
( resid 9 and name HB2 )
ASSI ( resid 24 and name HD1 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 128 volume 19.00650 ppm1 7.1122704 ppm2 3.1124375
OR ( resid 24 and name HD1 )
( resid 23 and name HB1 )
OR ( resid 24 and name HD2 )
( resid 23 and name HB2 )
OR ( resid 24 and name HD2 )
( resid 23 and name HB1 )
ASSI ( resid 24 and name HD2 )
( resid 24 and name HB1 )
6.0 0.1 0.1 peak 129 volume 167.56419 ppm1 7.1109009 ppm2 2.9495635
OR ( resid 24 and name HD1 )
( resid 24 and name HB1 )
ASSI ( resid 24 and name HD2 )
( resid 24 and name HB2 )
6.0 0.1 0.1 peak 130 volume 188.33749 ppm1 7.1102028 ppm2 2.8606791
OR ( resid 24 and name HD1 )
( resid 24 and name HB2 )
ASSI ( resid 9 and name HD2 )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 131 volume 72.02640 ppm1 6.9171472 ppm2 2.8948326
ASSI ( resid 9 and name HD2 )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 132 volume 173.52299 ppm1 6.9167981 ppm2 2.7102048
ASSI ( resid 24 and name HD1 )
( resid 25 and name HA1 )
6.0 0.1 0.1 peak 133 volume 29.69590 ppm1 7.1100616 ppm2 3.7039752
OR ( resid 24 and name HD2 )
( resid 25 and name HA1 )
ASSI ( resid 16 and name HD2 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 134 volume 38.22760 ppm1 7.1079612 ppm2 3.5585215
ASSI ( resid 32 and name HZ3 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 135 volume 30.60320 ppm1 7.1472445 ppm2 3.5559428
OR ( resid 34 and name HH2 )
( resid 16 and name HB1 )
ASSI ( resid 34 and name HH2 )
( resid 33 and name HD2 )
6.0 0.1 0.1 peak 136 volume 23.55770 ppm1 7.1599207 ppm2 3.4569600
ASSI ( resid 34 and name HN )
( resid 33 and name HD2 )
6.0 0.1 0.1 peak 137 volume 28.67100 ppm1 6.9975405 ppm2 3.4526842
OR ( resid 34 and name HZ3 )
( resid 33 and name HD2 )
ASSI ( resid 9 and name HD2 )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 138 volume 25.97420 ppm1 6.9178739 ppm2 3.6687012
OR ( resid 9 and name HD2 )
( resid 28 and name HB2 )
OR ( resid 9 and name HD2 )
( resid 28 and name HB1 )
ASSI ( resid 34 and name HN )
( resid 34 and name HB1 )
6.0 0.1 0.1 peak 139 volume 161.28020 ppm1 6.9960032 ppm2 3.3547583
OR ( resid 34 and name HN )
( resid 34 and name HB2 )
ASSI ( resid 9 and name HD2 )
( resid 9 and name HB1 )
6.0 0.1 0.1 peak 140 volume 32.02480 ppm1 6.9171472 ppm2 3.2768712
ASSI ( resid 27 and name HE )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 141 volume 26.42360 ppm1 6.8331218 ppm2 3.1160233
OR ( resid 27 and name HE )
( resid 23 and name HB1 )
ASSI ( resid 27 and name HE )
( resid 27 and name HD1 )
6.0 0.1 0.1 peak 142 volume 91.37620 ppm1 6.8306785 ppm2 2.7627532
ASSI ( resid 35 and name HD22 )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 143 volume 18.87890 ppm1 6.9699507 ppm2 2.7987773
ASSI ( resid 27 and name HE )
( resid 27 and name HD2 )
6.0 0.1 0.1 peak 144 volume 69.29780 ppm1 6.8310275 ppm2 2.6873603
ASSI ( resid 9 and name HD2 )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 145 volume 48.30440 ppm1 6.9161344 ppm2 2.5300746
ASSI ( resid 32 and name HD1 )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 146 volume 110.81040 ppm1 7.2508707 ppm2 2.3997333
ASSI ( resid 32 and name HE3 )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 147 volume 57.46630 ppm1 7.5324888 ppm2 2.4001300
ASSI ( resid 35 and name HD21 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 148 volume 71.02610 ppm1 7.5794253 ppm2 2.5596457
OR ( resid 36 and name HN )
( resid 35 and name HB2 )
ASSI ( resid 17 and name HN )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 149 volume 32.20760 ppm1 7.6068745 ppm2 2.4714699
OR ( resid 17 and name HN )
( resid 13 and name HB1 )
ASSI ( resid 35 and name HN )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 150 volume 119.90290 ppm1 7.9159412 ppm2 2.5587103
ASSI ( resid 21 and name HN )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 151 volume 35.06070 ppm1 7.8064208 ppm2 2.4486253
ASSI ( resid 32 and name HD1 )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 152 volume 69.87270 ppm1 7.2498236 ppm2 2.1716835
ASSI ( resid 32 and name HE3 )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 153 volume 108.01730 ppm1 7.5342340 ppm2 2.1713717
ASSI ( resid 34 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 154 volume 74.62000 ppm1 6.9963522 ppm2 2.1907868
OR ( resid 34 and name HZ3 )
( resid 32 and name HB2 )
ASSI ( resid 34 and name HN )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 155 volume 77.23030 ppm1 6.9959288 ppm2 1.9487242
OR ( resid 34 and name HZ3 )
( resid 33 and name HB2 )
ASSI ( resid 34 and name HE3 )
( resid 33 and name HG2 )
6.0 0.1 0.1 peak 156 volume 19.18580 ppm1 7.6786084 ppm2 2.0542643
OR ( resid 34 and name HE3 )
( resid 33 and name HG1 )
ASSI ( resid 34 and name HE3 )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 157 volume 38.84860 ppm1 7.6726003 ppm2 1.9494727
ASSI ( resid 25 and name HN )
( resid 24 and name HB1 )
6.0 0.1 0.1 peak 158 volume 59.48580 ppm1 8.2534380 ppm2 2.9514341
ASSI ( resid 25 and name HN )
( resid 24 and name HB2 )
6.0 0.1 0.1 peak 159 volume 52.46280 ppm1 8.2555323 ppm2 2.8606791
ASSI ( resid 15 and name HN )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 160 volume 83.04760 ppm1 8.2941580 ppm2 2.2489471
ASSI ( resid 32 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 161 volume 83.93150 ppm1 8.3880310 ppm2 2.1707482
ASSI ( resid 32 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 162 volume 191.54860 ppm1 8.3876820 ppm2 2.3984861
ASSI ( resid 13 and name HN )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 163 volume 344.42001 ppm1 8.4878378 ppm2 2.4695992
OR ( resid 13 and name HN )
( resid 13 and name HB2 )
ASSI ( resid 29 and name HN )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 164 volume 199.43150 ppm1 8.5926409 ppm2 2.4458563
ASSI ( resid 29 and name HN )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 165 volume 117.77860 ppm1 8.5921898 ppm2 2.5981643
ASSI ( resid 7 and name HN )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 166 volume 39.57810 ppm1 8.7456837 ppm2 2.7078884
ASSI ( resid 8 and name HN )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 167 volume 123.95050 ppm1 8.7999792 ppm2 2.4245334
ASSI ( resid 3 and name HN )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 168 volume 71.84310 ppm1 8.8847027 ppm2 2.5916169
OR ( resid 3 and name HN )
( resid 29 and name HB1 )
ASSI ( resid 30 and name HN )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 169 volume 63.29440 ppm1 8.9906139 ppm2 2.5358551
ASSI ( resid 30 and name HN )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 170 volume 186.11670 ppm1 8.9921961 ppm2 2.7108283
ASSI ( resid 31 and name HN )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 171 volume 57.59870 ppm1 9.3162746 ppm2 2.5321741
ASSI ( resid 9 and name HN )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 172 volume 51.62300 ppm1 9.4271965 ppm2 2.4225779
ASSI ( resid 13 and name HN )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 173 volume 11.81490 ppm1 8.4878378 ppm2 2.2480118
OR ( resid 16 and name HE1 )
( resid 14 and name HB1 )
ASSI ( resid 20 and name HN )
( resid 20 and name HB )
6.0 0.1 0.1 peak 174 volume 71.12840 ppm1 8.8039818 ppm2 2.1614029
ASSI ( resid 31 and name HN )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 175 volume 60.31150 ppm1 9.3151083 ppm2 1.8877015
ASSI ( resid 31 and name HN )
( resid 18 and name HB )
6.0 0.1 0.1 peak 176 volume 17.65040 ppm1 9.3127747 ppm2 1.6461596
ASSI ( resid 31 and name HN )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 177 volume 135.60741 ppm1 9.3162746 ppm2 1.4529983
ASSI ( resid 9 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 178 volume 85.15180 ppm1 9.4283152 ppm2 1.3963135
ASSI ( resid 28 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 179 volume 166.12480 ppm1 9.1374760 ppm2 1.3916212
ASSI ( resid 31 and name HN )
( resid 31 and name HG1 )
6.0 0.1 0.1 peak 180 volume 69.74880 ppm1 9.3129616 ppm2 1.2738582
OR ( resid 31 and name HN )
( resid 17 and name HB1 )
ASSI ( resid 31 and name HN )
( resid 31 and name HG2 )
6.0 0.1 0.1 peak 181 volume 26.49280 ppm1 9.3133411 ppm2 1.1829334
ASSI ( resid 31 and name HN )
( resid 17 and name HG )
6.0 0.1 0.1 peak 182 volume 53.88780 ppm1 9.3145075 ppm2 0.9998816
ASSI ( resid 5 and name HN )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 183 volume 21.44060 ppm1 9.0322180 ppm2 1.7423120
ASSI ( resid 5 and name HN )
( resid 4 and name HD2 )
6.0 0.1 0.1 peak 184 volume 33.84950 ppm1 9.0337553 ppm2 1.6729279
OR ( resid 5 and name HN )
( resid 4 and name HB2 )
OR ( resid 5 and name HN )
( resid 4 and name HD1 )
ASSI ( resid 18 and name HN )
( resid 18 and name HB )
6.0 0.1 0.1 peak 185 volume 73.09280 ppm1 8.9472866 ppm2 1.6516420
ASSI ( resid 5 and name HN )
( resid 4 and name HG1 )
6.0 0.1 0.1 peak 186 volume 19.04190 ppm1 9.0330572 ppm2 1.4222603
ASSI ( resid 5 and name HN )
( resid 4 and name HG2 )
6.0 0.1 0.1 peak 187 volume 21.23410 ppm1 9.0343122 ppm2 1.3339994
ASSI ( resid 18 and name HN )
( resid 18 and name HG11 )
6.0 0.1 0.1 peak 188 volume 49.41760 ppm1 8.9477024 ppm2 1.3417938
ASSI ( resid 18 and name HN )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 189 volume 44.03840 ppm1 8.9472122 ppm2 1.2667127
OR ( resid 18 and name HN )
( resid 31 and name HG1 )
ASSI ( resid 20 and name HN )
( resid 19 and name HG2 )
6.0 0.1 0.1 peak 190 volume 65.53650 ppm1 8.8056383 ppm2 1.3518556
OR ( resid 20 and name HN )
( resid 19 and name HG1 )
OR ( resid 20 and name HN )
( resid 18 and name HG11 )
ASSI ( resid 20 and name HN )
( resid 19 and name HD1 )
6.0 0.1 0.1 peak 191 volume 45.96410 ppm1 8.8031950 ppm2 1.4667023
OR ( resid 20 and name HN )
( resid 19 and name HD2 )
OR ( resid 20 and name HN )
( resid 31 and name HB2 )
OR ( resid 20 and name HN )
( resid 27 and name HB1 )
OR ( resid 8 and name HN )
( resid 19 and name HD1 )
OR ( resid 8 and name HN )
( resid 19 and name HD2 )
OR ( resid 8 and name HN )
( resid 31 and name HB2 )
OR ( resid 8 and name HN )
( resid 27 and name HB1 )
ASSI ( resid 20 and name HN )
( resid 18 and name HB )
6.0 0.1 0.1 peak 192 volume 33.27590 ppm1 8.8034029 ppm2 1.6409566
OR ( resid 20 and name HN )
( resid 19 and name HB2 )
ASSI ( resid 3 and name HN )
( resid 1 and name HB2 )
6.0 0.1 0.1 peak 193 volume 16.96690 ppm1 8.8840046 ppm2 1.5899671
OR ( resid 3 and name HN )
( resid 1 and name HB1 )
OR ( resid 3 and name HN )
( resid 1 and name HG )
ASSI ( resid 19 and name HN )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 194 volume 303.62830 ppm1 8.5674496 ppm2 1.8537629
ASSI ( resid 19 and name HN )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 195 volume 363.25519 ppm1 8.5680895 ppm2 1.6440744
OR ( resid 19 and name HN )
( resid 18 and name HB )
ASSI ( resid 29 and name HN )
( resid 19 and name HD2 )
6.0 0.1 0.1 peak 196 volume 30.45600 ppm1 8.5910988 ppm2 1.4688157
OR ( resid 29 and name HN )
( resid 19 and name HD1 )
ASSI ( resid 19 and name HN )
( resid 19 and name HG1 )
6.0 0.1 0.1 peak 197 volume 35.80230 ppm1 8.5671167 ppm2 1.3355583
OR ( resid 19 and name HN )
( resid 19 and name HG2 )
OR ( resid 19 and name HN )
( resid 18 and name HG11 )
ASSI ( resid 32 and name HN )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 198 volume 133.31709 ppm1 8.3855877 ppm2 1.8847651
ASSI ( resid 32 and name HN )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 199 volume 40.39980 ppm1 8.3892860 ppm2 1.4575759
ASSI ( resid 4 and name HN )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 200 volume 187.54449 ppm1 8.2789078 ppm2 1.7430040
ASSI ( resid 4 and name HN )
( resid 4 and name HB2 )
6.0 0.1 0.1 peak 201 volume 344.05310 ppm1 8.2810202 ppm2 1.6715163
OR ( resid 4 and name HN )
( resid 14 and name HB2 )
OR ( resid 4 and name HN )
( resid 4 and name HD2 )
OR ( resid 4 and name HN )
( resid 4 and name HD1 )
OR ( resid 15 and name HN )
( resid 4 and name HB2 )
OR ( resid 15 and name HN )
( resid 14 and name HB2 )
OR ( resid 15 and name HN )
( resid 4 and name HD2 )
OR ( resid 15 and name HN )
( resid 4 and name HD1 )
ASSI ( resid 4 and name HN )
( resid 4 and name HG1 )
6.0 0.1 0.1 peak 202 volume 29.89860 ppm1 8.2774305 ppm2 1.4135864
OR ( resid 4 and name HN )
( resid 27 and name HB2 )
OR ( resid 26 and name HN )
( resid 4 and name HG1 )
OR ( resid 26 and name HN )
( resid 27 and name HB2 )
ASSI ( resid 23 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 203 volume 16.37240 ppm1 8.0954237 ppm2 1.4196333
ASSI ( resid 4 and name HN )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 204 volume 26.17150 ppm1 8.2779531 ppm2 2.5881875
OR ( resid 4 and name HN )
( resid 29 and name HB1 )
ASSI ( resid 21 and name HN )
( resid 19 and name HD2 )
6.0 0.1 0.1 peak 205 volume 65.83010 ppm1 7.8063540 ppm2 1.4788617
OR ( resid 21 and name HN )
( resid 19 and name HD1 )
ASSI ( resid 21 and name HN )
( resid 19 and name HG2 )
6.0 0.1 0.1 peak 206 volume 112.68320 ppm1 7.8046088 ppm2 1.3502969
OR ( resid 21 and name HN )
( resid 19 and name HG1 )
ASSI ( resid 17 and name HN )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 207 volume 231.65910 ppm1 7.6086197 ppm2 1.2570475
ASSI ( resid 36 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 208 volume 185.60060 ppm1 7.5689464 ppm2 1.2761509
OR ( resid 36 and name HN )
( resid 31 and name HG1 )
OR ( resid 35 and name HD21 )
( resid 36 and name HB1 )
OR ( resid 35 and name HD21 )
( resid 31 and name HG1 )
ASSI ( resid 17 and name HN )
( resid 17 and name HG )
6.0 0.1 0.1 peak 209 volume 54.71760 ppm1 7.6079216 ppm2 0.9992092
ASSI ( resid 10 and name HD2 )
( resid 27 and name HB1 )
6.0 0.1 0.1 peak 210 volume 50.95960 ppm1 7.2971311 ppm2 1.4564866
OR ( resid 10 and name HD1 )
( resid 27 and name HB1 )
ASSI ( resid 34 and name HN )
( resid 33 and name HG1 )
6.0 0.1 0.1 peak 211 volume 17.29040 ppm1 6.9962111 ppm2 2.0521603
OR ( resid 34 and name HN )
( resid 33 and name HG2 )
OR ( resid 34 and name HZ3 )
( resid 33 and name HG1 )
OR ( resid 34 and name HZ3 )
( resid 33 and name HG2 )
ASSI ( resid 27 and name HN )
( resid 27 and name HB1 )
6.0 0.1 0.1 peak 212 volume 256.51431 ppm1 7.0644965 ppm2 1.4400157
ASSI ( resid 27 and name HE )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 213 volume 63.88540 ppm1 6.8303294 ppm2 1.4053394
ASSI ( resid 27 and name HE )
( resid 27 and name HB1 )
6.0 0.1 0.1 peak 214 volume 124.03700 ppm1 6.8317256 ppm2 1.4645200
ASSI ( resid 27 and name HE )
( resid 27 and name HG1 )
6.0 0.1 0.1 peak 215 volume 37.72770 ppm1 6.8292842 ppm2 0.9202647
OR ( resid 27 and name HE )
( resid 27 and name HG2 )
ASSI ( resid 34 and name HN )
( resid 18 and name HG21 )
6.0 0.1 0.1 peak 216 volume 26.99910 ppm1 6.9858203 ppm2 0.7774111
ASSI ( resid 35 and name HD22 )
( resid 20 and name HG22 )
6.0 0.1 0.1 peak 217 volume 28.44650 ppm1 6.9854589 ppm2 0.7144584
OR ( resid 35 and name HD22 )
( resid 20 and name HG21 )
OR ( resid 35 and name HD22 )
( resid 20 and name HG23 )
ASSI ( resid 27 and name HN )
( resid 27 and name HG1 )
6.0 0.1 0.1 peak 218 volume 30.81320 ppm1 7.0612388 ppm2 0.9210103
OR ( resid 27 and name HN )
( resid 27 and name HG2 )
ASSI ( resid 10 and name HD2 )
( resid 27 and name HG2 )
6.0 0.1 0.1 peak 219 volume 62.87070 ppm1 7.2949400 ppm2 0.9206985
OR ( resid 10 and name HD2 )
( resid 27 and name HG1 )
OR ( resid 10 and name HD1 )
( resid 27 and name HG2 )
OR ( resid 10 and name HD1 )
( resid 27 and name HG1 )
ASSI ( resid 17 and name HN )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 220 volume 112.44310 ppm1 7.6061764 ppm2 0.7917368
ASSI ( resid 32 and name HE3 )
( resid 17 and name HD11 )
6.0 0.1 0.1 peak 221 volume 16.09380 ppm1 7.5314417 ppm2 0.2529037
OR ( resid 32 and name HE3 )
( resid 17 and name HD13 )
OR ( resid 32 and name HE3 )
( resid 17 and name HD12 )
ASSI ( resid 17 and name HN )
( resid 17 and name HD11 )
6.0 0.1 0.1 peak 222 volume 42.43170 ppm1 7.6058273 ppm2 0.2535272
OR ( resid 17 and name HN )
( resid 17 and name HD12 )
OR ( resid 17 and name HN )
( resid 17 and name HD13 )
ASSI ( resid 21 and name HN )
( resid 20 and name HG11 )
6.0 0.1 0.1 peak 223 volume 24.54300 ppm1 7.8048167 ppm2 0.8593354
OR ( resid 21 and name HN )
( resid 20 and name HG12 )
OR ( resid 21 and name HN )
( resid 20 and name HG13 )
ASSI ( resid 21 and name HN )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 224 volume 50.07250 ppm1 7.8042598 ppm2 0.6928756
OR ( resid 21 and name HN )
( resid 20 and name HG23 )
OR ( resid 21 and name HN )
( resid 20 and name HG22 )
ASSI ( resid 19 and name HN )
( resid 18 and name HG21 )
6.0 0.1 0.1 peak 225 volume 118.89900 ppm1 8.5668344 ppm2 0.7695157
ASSI ( resid 20 and name HN )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 226 volume 145.24969 ppm1 8.8056383 ppm2 0.6885108
OR ( resid 20 and name HN )
( resid 20 and name HG23 )
OR ( resid 20 and name HN )
( resid 20 and name HG22 )
ASSI ( resid 32 and name HN )
( resid 17 and name HD21 )
6.0 0.1 0.1 peak 227 volume 27.53600 ppm1 8.3842583 ppm2 -0.1516676
OR ( resid 32 and name HN )
( resid 17 and name HD22 )
OR ( resid 32 and name HN )
( resid 17 and name HD23 )
ASSI ( resid 18 and name HN )
( resid 17 and name HG )
6.0 0.1 0.1 peak 228 volume 182.13319 ppm1 8.9458160 ppm2 0.9939091
ASSI ( resid 18 and name HN )
( resid 18 and name HG21 )
6.0 0.1 0.1 peak 229 volume 64.30680 ppm1 8.9474955 ppm2 0.7827464
ASSI ( resid 31 and name HN )
( resid 20 and name HG22 )
6.0 0.1 0.1 peak 230 volume 41.77510 ppm1 9.3121738 ppm2 0.6998498
OR ( resid 31 and name HN )
( resid 20 and name HG21 )
OR ( resid 31 and name HN )
( resid 20 and name HG23 )
ASSI ( resid 18 and name HN )
( resid 17 and name HD22 )
6.0 0.1 0.1 peak 231 volume 16.19710 ppm1 8.9497299 ppm2 -0.1476145
OR ( resid 18 and name HN )
( resid 17 and name HD21 )
OR ( resid 18 and name HN )
( resid 17 and name HD23 )
ASSI ( resid 17 and name HN )
( resid 17 and name HD22 )
6.0 0.1 0.1 peak 232 volume 27.44940 ppm1 7.6066666 ppm2 -0.1563442
OR ( resid 17 and name HN )
( resid 17 and name HD21 )
OR ( resid 17 and name HN )
( resid 17 and name HD23 )
ASSI ( resid 32 and name HE3 )
( resid 17 and name HD21 )
6.0 0.1 0.1 peak 233 volume 71.82480 ppm1 7.5324888 ppm2 -0.1586117
OR ( resid 32 and name HE3 )
( resid 17 and name HD22 )
OR ( resid 32 and name HE3 )
( resid 17 and name HD23 )
ASSI ( resid 32 and name HZ2 )
( resid 17 and name HD21 )
6.0 0.1 0.1 peak 234 volume 21.24270 ppm1 7.4986830 ppm2 -0.1488616
OR ( resid 32 and name HZ2 )
( resid 17 and name HD22 )
OR ( resid 32 and name HZ2 )
( resid 17 and name HD23 )
ASSI ( resid 32 and name HD1 )
( resid 17 and name HD21 )
6.0 0.1 0.1 peak 235 volume 27.49650 ppm1 7.2510643 ppm2 -0.1554219
OR ( resid 32 and name HD1 )
( resid 17 and name HD22 )
OR ( resid 32 and name HD1 )
( resid 17 and name HD23 )
ASSI ( resid 32 and name HZ3 )
( resid 17 and name HD21 )
6.0 0.1 0.1 peak 236 volume 24.85380 ppm1 7.1423302 ppm2 -0.1558057
OR ( resid 32 and name HZ3 )
( resid 17 and name HD22 )
OR ( resid 32 and name HZ3 )
( resid 17 and name HD23 )
ASSI ( resid 16 and name HD2 )
( resid 17 and name HD22 )
6.0 0.1 0.1 peak 237 volume 26.60610 ppm1 7.1071281 ppm2 -0.1566560
OR ( resid 16 and name HD2 )
( resid 17 and name HD21 )
OR ( resid 16 and name HD2 )
( resid 17 and name HD23 )
ASSI ( resid 9 and name HD2 )
( resid 17 and name HD12 )
6.0 0.1 0.1 peak 238 volume 27.64730 ppm1 6.9161000 ppm2 0.2529037
OR ( resid 9 and name HD2 )
( resid 17 and name HD13 )
OR ( resid 9 and name HD2 )
( resid 17 and name HD11 )
ASSI ( resid 35 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 239 volume 17.18720 ppm1 7.9142628 ppm2 2.3982594
ASSI ( resid 21 and name HN )
( resid 20 and name HB )
6.0 0.1 0.1 peak 240 volume 19.94080 ppm1 7.8030715 ppm2 2.1628690
ASSI ( resid 31 and name HN )
( resid 18 and name HG21 )
6.0 0.1 0.1 peak 241 volume 13.38640 ppm1 9.3145075 ppm2 0.7800027
OR ( resid 31 and name HN )
( resid 17 and name HB2 )
ASSI ( resid 31 and name HN )
( resid 20 and name HG11 )
6.0 0.1 0.1 peak 242 volume 19.12780 ppm1 9.3145075 ppm2 0.8554620
OR ( resid 31 and name HN )
( resid 20 and name HG12 )
OR ( resid 31 and name HN )
( resid 20 and name HG13 )
ASSI ( resid 32 and name HE1 )
( resid 32 and name HD1 )
6.0 0.1 0.1 peak 243 volume 65.61550 ppm1 10.1540794 ppm2 7.2479844
ASSI ( resid 32 and name HE1 )
( resid 32 and name HZ2 )
6.0 0.1 0.1 peak 244 volume 20.24720 ppm1 10.1524754 ppm2 7.4955339
ASSI ( resid 34 and name HE1 )
( resid 34 and name HD1 )
6.0 0.1 0.1 peak 245 volume 63.57040 ppm1 10.0886354 ppm2 7.1441345
ASSI ( resid 34 and name HE1 )
( resid 34 and name HZ2 )
6.0 0.1 0.1 peak 246 volume 35.26380 ppm1 10.0875883 ppm2 6.9776750
ASSI ( resid 9 and name HN )
( resid 9 and name HD2 )
6.0 0.1 0.1 peak 247 volume 44.20470 ppm1 9.4271965 ppm2 6.9150648
ASSI ( resid 10 and name HN )
( resid 10 and name HD1 )
6.0 0.1 0.1 peak 248 volume 24.62680 ppm1 9.2530718 ppm2 7.2889967
OR ( resid 10 and name HN )
( resid 10 and name HD2 )
ASSI ( resid 30 and name HN )
( resid 9 and name HD2 )
6.0 0.1 0.1 peak 249 volume 26.65530 ppm1 8.9922047 ppm2 6.9167624
ASSI ( resid 5 and name HN )
( resid 6 and name HN )
6.0 0.1 0.1 peak 250 volume 131.40469 ppm1 9.0330572 ppm2 7.7426872
ASSI ( resid 20 and name HN )
( resid 21 and name HN )
6.0 0.1 0.1 peak 251 volume 171.34351 ppm1 8.8035440 ppm2 7.7999969
ASSI ( resid 11 and name HN )
( resid 12 and name HN )
6.0 0.1 0.1 peak 252 volume 51.85900 ppm1 8.6464128 ppm2 7.9731236
ASSI ( resid 11 and name HN )
( resid 10 and name HD1 )
6.0 0.1 0.1 peak 253 volume 17.19700 ppm1 8.6410122 ppm2 7.2977266
OR ( resid 11 and name HN )
( resid 10 and name HD2 )
ASSI ( resid 3 and name HN )
( resid 4 and name HN )
6.0 0.1 0.1 peak 254 volume 58.13230 ppm1 8.8865480 ppm2 8.2772779
ASSI ( resid 9 and name HN )
( resid 28 and name HN )
6.0 0.1 0.1 peak 255 volume 70.05030 ppm1 9.4273653 ppm2 9.1316967
ASSI ( resid 31 and name HN )
( resid 18 and name HN )
6.0 0.1 0.1 peak 256 volume 111.71060 ppm1 9.3135672 ppm2 8.9483452
ASSI ( resid 30 and name HN )
( resid 7 and name HN )
6.0 0.1 0.1 peak 257 volume 115.51400 ppm1 8.9921961 ppm2 8.7480783
ASSI ( resid 16 and name HN )
( resid 17 and name HN )
6.0 0.1 0.1 peak 258 volume 124.90440 ppm1 8.3321524 ppm2 7.6049953
ASSI ( resid 32 and name HN )
( resid 32 and name HD1 )
6.0 0.1 0.1 peak 259 volume 41.75600 ppm1 8.3882866 ppm2 7.2455568
ASSI ( resid 26 and name HN )
( resid 27 and name HN )
6.0 0.1 0.1 peak 260 volume 96.33360 ppm1 8.2743883 ppm2 7.0649152
ASSI ( resid 15 and name HN )
( resid 17 and name HN )
6.0 0.1 0.1 peak 261 volume 20.59750 ppm1 8.2962523 ppm2 7.6025009
ASSI ( resid 35 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 262 volume 161.25890 ppm1 7.9139738 ppm2 7.5681443
ASSI ( resid 35 and name HN )
( resid 34 and name HN )
6.0 0.1 0.1 peak 263 volume 117.85120 ppm1 7.9148941 ppm2 6.9920168
ASSI ( resid 34 and name HE3 )
( resid 34 and name HH2 )
6.0 0.1 0.1 peak 264 volume 191.41460 ppm1 7.6731052 ppm2 7.1601014
ASSI ( resid 34 and name HE3 )
( resid 34 and name HZ3 )
6.0 0.1 0.1 peak 265 volume 137.45520 ppm1 7.6731572 ppm2 6.9882755
OR ( resid 34 and name HE3 )
( resid 34 and name HN )
ASSI ( resid 35 and name HD21 )
( resid 35 and name HD22 )
6.0 0.1 0.1 peak 266 volume 1746.81250 ppm1 7.5817990 ppm2 6.9712639
OR ( resid 36 and name HN )
( resid 35 and name HD22 )
ASSI ( resid 32 and name HE3 )
( resid 32 and name HZ3 )
6.0 0.1 0.1 peak 267 volume 261.28900 ppm1 7.5329790 ppm2 7.1413283
OR ( resid 32 and name HE3 )
( resid 34 and name HD1 )
ASSI ( resid 9 and name HN )
( resid 27 and name HG1 )
6.0 0.1 0.1 peak 268 volume 7.92560 ppm1 9.4271488 ppm2 0.9215339
OR ( resid 9 and name HN )
( resid 27 and name HG2 )
ASSI ( resid 31 and name HN )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 269 volume 31.67240 ppm1 9.3133411 ppm2 2.7061996
ASSI ( resid 9 and name HD2 )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 270 volume 9.67570 ppm1 6.9178739 ppm2 3.8419216
ASSI ( resid 16 and name HD2 )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 271 volume 23.98330 ppm1 7.1105289 ppm2 3.3377190
OR ( resid 16 and name HD2 )
( resid 25 and name HA2 )
OR ( resid 24 and name HD1 )
( resid 16 and name HB2 )
OR ( resid 24 and name HD1 )
( resid 25 and name HA2 )
OR ( resid 24 and name HD2 )
( resid 16 and name HB2 )
OR ( resid 24 and name HD2 )
( resid 25 and name HA2 )
ASSI ( resid 10 and name HE1 )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 272 volume 53.88640 ppm1 7.4193258 ppm2 2.8816588
OR ( resid 10 and name HE2 )
( resid 8 and name HB1 )
ASSI ( resid 19 and name HN )
( resid 19 and name HD1 )
6.0 0.1 0.1 peak 273 volume 21.03510 ppm1 8.5695047 ppm2 1.4672607
OR ( resid 19 and name HN )
( resid 19 and name HD2 )
ASSI ( resid 2 and name HE2 )
( resid 2 and name HD2 )
6.0 0.1 0.1 peak 274 volume 1176.66882 ppm1 7.4141273 ppm2 7.3017364
OR ( resid 2 and name HE2 )
( resid 2 and name HD1 )
OR ( resid 2 and name HE2 )
( resid 10 and name HD2 )
OR ( resid 2 and name HE2 )
( resid 10 and name HD1 )
OR ( resid 2 and name HE1 )
( resid 2 and name HD2 )
OR ( resid 2 and name HE1 )
( resid 2 and name HD1 )
OR ( resid 2 and name HE1 )
( resid 10 and name HD2 )
OR ( resid 2 and name HE1 )
( resid 10 and name HD1 )
OR ( resid 10 and name HE2 )
( resid 2 and name HD2 )
OR ( resid 10 and name HE2 )
( resid 2 and name HD1 )
OR ( resid 10 and name HE2 )
( resid 10 and name HD2 )
OR ( resid 10 and name HE2 )
( resid 10 and name HD1 )
OR ( resid 10 and name HE1 )
( resid 2 and name HD2 )
OR ( resid 10 and name HE1 )
( resid 2 and name HD1 )
OR ( resid 10 and name HE1 )
( resid 10 and name HD2 )
OR ( resid 10 and name HE1 )
( resid 10 and name HD1 )
ASSI ( resid 2 and name HZ )
( resid 2 and name HD2 )
6.0 0.1 0.1 peak 275 volume 1560.28235 ppm1 7.3716016 ppm2 7.3022885
OR ( resid 2 and name HZ )
( resid 2 and name HD1 )
OR ( resid 2 and name HZ )
( resid 10 and name HD2 )
OR ( resid 2 and name HZ )
( resid 10 and name HD1 )
OR ( resid 10 and name HZ )
( resid 2 and name HD2 )
OR ( resid 10 and name HZ )
( resid 2 and name HD1 )
OR ( resid 10 and name HZ )
( resid 10 and name HD2 )
OR ( resid 10 and name HZ )
( resid 10 and name HD1 )
ASSI ( resid 26 and name HE1 )
( resid 26 and name HD1 )
6.0 0.1 0.1 peak 276 volume 361.84161 ppm1 7.3388424 ppm2 7.1981936
OR ( resid 26 and name HE1 )
( resid 26 and name HD2 )
OR ( resid 26 and name HE2 )
( resid 26 and name HD1 )
OR ( resid 26 and name HE2 )
( resid 26 and name HD2 )
ASSI ( resid 24 and name HE2 )
( resid 24 and name HD2 )
6.0 0.1 0.1 peak 277 volume 569.36713 ppm1 7.2930636 ppm2 7.1105118
OR ( resid 24 and name HE2 )
( resid 24 and name HD1 )
OR ( resid 24 and name HE1 )
( resid 24 and name HD2 )
OR ( resid 24 and name HE1 )
( resid 24 and name HD1 )
OR ( resid 24 and name HZ )
( resid 24 and name HD2 )
OR ( resid 24 and name HZ )
( resid 24 and name HD1 )
ASSI ( resid 34 and name HH2 )
( resid 34 and name HZ3 )
6.0 0.1 0.1 peak 278 volume 227.49789 ppm1 7.1618853 ppm2 6.9926729
ASSI ( resid 31 and name HN )
( resid 20 and name HN )
6.0 0.1 0.1 peak 279 volume 16.45610 ppm1 9.3093519 ppm2 8.8112926
ASSI ( resid 9 and name HN )
( resid 8 and name HN )
6.0 0.1 0.1 peak 280 volume 12.81690 ppm1 9.4297104 ppm2 8.8081760
ASSI ( resid 10 and name HN )
( resid 11 and name HN )
6.0 0.1 0.1 peak 281 volume 13.65910 ppm1 9.2587252 ppm2 8.6422472
ASSI ( resid 28 and name HN )
( resid 11 and name HN )
6.0 0.1 0.1 peak 282 volume 9.77390 ppm1 9.1421213 ppm2 8.6402760
ASSI ( resid 5 and name HN )
( resid 4 and name HN )
6.0 0.1 0.1 peak 283 volume 13.73310 ppm1 9.0388994 ppm2 8.2812204
ASSI ( resid 29 and name HN )
( resid 23 and name HN )
6.0 0.1 0.1 peak 284 volume 16.32120 ppm1 8.5937605 ppm2 8.0926752
ASSI ( resid 13 and name HN )
( resid 12 and name HN )
6.0 0.1 0.1 peak 285 volume 31.76580 ppm1 8.4872522 ppm2 7.9711523
ASSI ( resid 29 and name HN )
( resid 21 and name HN )
6.0 0.1 0.1 peak 286 volume 22.00050 ppm1 8.5910902 ppm2 7.8055696
ASSI ( resid 25 and name HN )
( resid 24 and name HN )
6.0 0.1 0.1 peak 287 volume 14.02060 ppm1 8.2555103 ppm2 7.7500830
ASSI ( resid 24 and name HN )
( resid 24 and name HD2 )
6.0 0.1 0.1 peak 288 volume 36.68910 ppm1 7.7590690 ppm2 7.1216626
OR ( resid 24 and name HN )
( resid 24 and name HD1 )
ASSI ( resid 16 and name HN )
( resid 16 and name HD2 )
6.0 0.1 0.1 peak 289 volume 19.62010 ppm1 8.3314962 ppm2 7.1119132
ASSI ( resid 26 and name HN )
( resid 26 and name HD1 )
6.0 0.1 0.1 peak 290 volume 16.72640 ppm1 8.2742357 ppm2 7.2071180
OR ( resid 26 and name HN )
( resid 26 and name HD2 )
ASSI ( resid 32 and name HZ2 )
( resid 32 and name HH2 )
6.0 0.1 0.1 peak 291 volume 237.80099 ppm1 7.4992399 ppm2 7.2140174
ASSI ( resid 32 and name HE3 )
( resid 34 and name HN )
6.0 0.1 0.1 peak 292 volume 22.86320 ppm1 7.5332851 ppm2 6.9929471
OR ( resid 32 and name HE3 )
( resid 34 and name HZ3 )
ASSI ( resid 20 and name HN )
( resid 21 and name HA1 )
6.0 0.1 0.1 peak 293 volume 15.42830 ppm1 8.7999954 ppm2 4.2376857
OR ( resid 8 and name HN )
( resid 21 and name HA1 )
ASSI ( resid 35 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 294 volume 17.22600 ppm1 7.9147220 ppm2 4.1629648
ASSI ( resid 6 and name HN )
( resid 31 and name HE2 )
6.0 0.1 0.1 peak 295 volume 16.61440 ppm1 7.7495685 ppm2 2.7172341
OR ( resid 6 and name HN )
( resid 31 and name HE1 )
ASSI ( resid 30 and name HN )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 296 volume 31.45480 ppm1 8.9938030 ppm2 2.5862012
ASSI ( resid 30 and name HN )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 297 volume 17.20690 ppm1 8.9930058 ppm2 2.4407570
ASSI ( resid 20 and name HN )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 298 volume 20.26970 ppm1 8.8048801 ppm2 1.8597494
ASSI ( resid 32 and name HH2 )
( resid 17 and name HD21 )
6.0 0.1 0.1 peak 299 volume 21.85320 ppm1 7.2127938 ppm2 -0.1600836
OR ( resid 32 and name HH2 )
( resid 17 and name HD22 )
OR ( resid 32 and name HH2 )
( resid 17 and name HD23 )
ASSI ( resid 34 and name HD1 )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 300 volume 12.15650 ppm1 7.1482129 ppm2 2.1668904
ASSI ( resid 32 and name HZ3 )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 301 volume 10.73220 ppm1 7.1473002 ppm2 2.3957801
OR ( resid 34 and name HD1 )
( resid 32 and name HB1 )
ASSI ( resid 34 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 302 volume 26.07200 ppm1 6.9951305 ppm2 2.3934989
OR ( resid 34 and name HZ3 )
( resid 32 and name HB1 )
ASSI ( resid 35 and name HD22 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 303 volume 13.68160 ppm1 6.9709716 ppm2 2.5586178
ASSI ( resid 27 and name HN )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 304 volume 27.70070 ppm1 7.0668240 ppm2 3.1133697
OR ( resid 27 and name HN )
( resid 23 and name HB1 )
ASSI ( resid 27 and name HN )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 305 volume 11.95340 ppm1 7.0612431 ppm2 3.1879566
! derived from the 2D file(s):
! ! Chicken AvBD2 D20
ASSI ( resid 8 and name HA )
( resid 29 and name HA )
6.0 0.1 0.1 peak 0 volume 367.29410 ppm1 5.7014256 ppm2 4.8865962
ASSI ( resid 30 and name HA )
( resid 19 and name HA )
6.0 0.1 0.1 peak 1 volume 492.27930 ppm1 5.5359335 ppm2 4.8398581
ASSI ( resid 8 and name HB1 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 2 volume 369.18469 ppm1 2.9030254 ppm2 5.7012267
ASSI ( resid 30 and name HB1 )
( resid 30 and name HA )
6.0 0.1 0.1 peak 3 volume 418.92459 ppm1 2.7394238 ppm2 5.5383773
ASSI ( resid 30 and name HB2 )
( resid 30 and name HA )
6.0 0.1 0.1 peak 4 volume 606.80377 ppm1 2.5484204 ppm2 5.5360246
ASSI ( resid 8 and name HB2 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 5 volume 587.22168 ppm1 2.4471886 ppm2 5.7006989
ASSI ( resid 22 and name HB1 )
( resid 22 and name HA )
6.0 0.1 0.1 peak 6 volume 596.74017 ppm1 3.8872137 ppm2 5.0698633
ASSI ( resid 22 and name HB2 )
( resid 22 and name HA )
6.0 0.1 0.1 peak 7 volume 535.77142 ppm1 3.7104347 ppm2 5.0644073
ASSI ( resid 7 and name HB1 )
( resid 7 and name HA )
6.0 0.1 0.1 peak 8 volume 849.33600 ppm1 3.8425558 ppm2 4.8207760
ASSI ( resid 7 and name HB2 )
( resid 7 and name HA )
6.0 0.1 0.1 peak 9 volume 920.40320 ppm1 3.6984203 ppm2 4.8255196
ASSI ( resid 6 and name HA2 )
( resid 31 and name HA )
6.0 0.1 0.1 peak 10 volume 266.58640 ppm1 3.6726930 ppm2 4.7749214
ASSI ( resid 6 and name HA2 )
( resid 6 and name HA1 )
6.0 0.1 0.1 peak 11 volume 5531.96924 ppm1 3.6726930 ppm2 4.6180220
ASSI ( resid 33 and name HD1 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 12 volume 981.95471 ppm1 3.9804325 ppm2 4.5575547
ASSI ( resid 34 and name HB1 )
( resid 34 and name HA )
6.0 0.1 0.1 peak 13 volume 606.80029 ppm1 3.4262793 ppm2 4.7855387
ASSI ( resid 34 and name HB2 )
( resid 34 and name HA )
6.0 0.1 0.1 peak 14 volume 689.17358 ppm1 3.3737137 ppm2 4.7863464
ASSI ( resid 9 and name HB1 )
( resid 9 and name HA )
6.0 0.1 0.1 peak 15 volume 1071.27124 ppm1 3.2867782 ppm2 4.7564588
ASSI ( resid 33 and name HD2 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 16 volume 843.77887 ppm1 3.5056930 ppm2 4.5572410
ASSI ( resid 2 and name HB1 )
( resid 2 and name HA )
6.0 0.1 0.1 peak 17 volume 723.89050 ppm1 3.2037675 ppm2 4.6942592
ASSI ( resid 10 and name HB1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 18 volume 654.78223 ppm1 3.1693978 ppm2 4.5827856
ASSI ( resid 23 and name HB1 )
( resid 23 and name HA )
6.0 0.1 0.1 peak 19 volume 1081.97180 ppm1 3.1418328 ppm2 4.7676649
OR ( resid 23 and name HB2 )
( resid 23 and name HA )
ASSI ( resid 2 and name HB2 )
( resid 2 and name HA )
6.0 0.1 0.1 peak 20 volume 550.70367 ppm1 3.0756667 ppm2 4.6936069
ASSI ( resid 10 and name HB2 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 21 volume 629.56012 ppm1 3.0157447 ppm2 4.5787468
ASSI ( resid 14 and name HD1 )
( resid 13 and name HA )
6.0 0.1 0.1 peak 22 volume 1732.22986 ppm1 2.9862514 ppm2 4.7715077
ASSI ( resid 8 and name HB1 )
( resid 28 and name HA )
6.0 0.1 0.1 peak 23 volume 214.99361 ppm1 2.9115796 ppm2 4.6257420
ASSI ( resid 9 and name HB2 )
( resid 9 and name HA )
6.0 0.1 0.1 peak 24 volume 1029.09753 ppm1 2.8945601 ppm2 4.7573133
OR ( resid 9 and name HB2 )
( resid 23 and name HA )
OR ( resid 8 and name HB1 )
( resid 9 and name HA )
OR ( resid 8 and name HB1 )
( resid 23 and name HA )
ASSI ( resid 35 and name HB1 )
( resid 35 and name HA )
6.0 0.1 0.1 peak 25 volume 476.54529 ppm1 2.8393366 ppm2 4.9050903
ASSI ( resid 14 and name HD2 )
( resid 13 and name HA )
6.0 0.1 0.1 peak 26 volume 1371.29211 ppm1 2.7756779 ppm2 4.7710981
ASSI ( resid 29 and name HB1 )
( resid 29 and name HA )
6.0 0.1 0.1 peak 27 volume 704.18811 ppm1 2.6339898 ppm2 4.8910537
OR ( resid 3 and name HB2 )
( resid 29 and name HA )
ASSI ( resid 35 and name HB2 )
( resid 35 and name HA )
6.0 0.1 0.1 peak 28 volume 359.95239 ppm1 2.5795796 ppm2 4.9078250
ASSI ( resid 13 and name HB1 )
( resid 13 and name HA )
6.0 0.1 0.1 peak 29 volume 1443.71643 ppm1 2.4858849 ppm2 4.7719426
OR ( resid 13 and name HB1 )
( resid 9 and name HA )
OR ( resid 13 and name HB1 )
( resid 23 and name HA )
OR ( resid 13 and name HB2 )
( resid 13 and name HA )
OR ( resid 13 and name HB2 )
( resid 9 and name HA )
OR ( resid 13 and name HB2 )
( resid 23 and name HA )
OR ( resid 29 and name HB2 )
( resid 13 and name HA )
OR ( resid 29 and name HB2 )
( resid 9 and name HA )
OR ( resid 29 and name HB2 )
( resid 23 and name HA )
ASSI ( resid 29 and name HB2 )
( resid 29 and name HA )
6.0 0.1 0.1 peak 30 volume 223.80440 ppm1 2.4793456 ppm2 4.8897424
ASSI ( resid 32 and name HB1 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 31 volume 399.21509 ppm1 2.3870196 ppm2 4.5560966
ASSI ( resid 32 and name HB2 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 32 volume 730.46021 ppm1 2.1439395 ppm2 4.5590305
ASSI ( resid 19 and name HB1 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 33 volume 338.06851 ppm1 1.8836609 ppm2 4.8397460
ASSI ( resid 31 and name HB1 )
( resid 31 and name HA )
6.0 0.1 0.1 peak 34 volume 657.97272 ppm1 1.9145217 ppm2 4.7703886
ASSI ( resid 19 and name HB2 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 35 volume 972.99469 ppm1 1.6662707 ppm2 4.8384619
OR ( resid 18 and name HB )
( resid 19 and name HA )
ASSI ( resid 19 and name HD1 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 36 volume 627.26910 ppm1 1.5146105 ppm2 4.8399692
OR ( resid 19 and name HD2 )
( resid 19 and name HA )
ASSI ( resid 31 and name HB2 )
( resid 31 and name HA )
6.0 0.1 0.1 peak 37 volume 611.96191 ppm1 1.4706891 ppm2 4.7718062
OR ( resid 31 and name HB2 )
( resid 13 and name HA )
OR ( resid 31 and name HB2 )
( resid 9 and name HA )
OR ( resid 14 and name HG2 )
( resid 31 and name HA )
OR ( resid 14 and name HG2 )
( resid 13 and name HA )
OR ( resid 14 and name HG2 )
( resid 9 and name HA )
OR ( resid 14 and name HG1 )
( resid 31 and name HA )
OR ( resid 14 and name HG1 )
( resid 13 and name HA )
OR ( resid 14 and name HG1 )
( resid 9 and name HA )
ASSI ( resid 27 and name HB1 )
( resid 27 and name HA )
6.0 0.1 0.1 peak 38 volume 961.05878 ppm1 1.4956241 ppm2 4.5981336
OR ( resid 27 and name HB1 )
( resid 10 and name HA )
ASSI ( resid 27 and name HB2 )
( resid 27 and name HA )
6.0 0.1 0.1 peak 39 volume 771.19922 ppm1 1.4275583 ppm2 4.5989413
OR ( resid 27 and name HB2 )
( resid 10 and name HA )
ASSI ( resid 31 and name HG1 )
( resid 31 and name HA )
6.0 0.1 0.1 peak 40 volume 200.00191 ppm1 1.3102677 ppm2 4.7688465
OR ( resid 31 and name HG1 )
( resid 34 and name HA )
OR ( resid 36 and name HB1 )
( resid 31 and name HA )
OR ( resid 36 and name HB1 )
( resid 34 and name HA )
ASSI ( resid 31 and name HG2 )
( resid 31 and name HA )
6.0 0.1 0.1 peak 41 volume 665.10773 ppm1 1.2029860 ppm2 4.7723541
ASSI ( resid 31 and name HG2 )
( resid 6 and name HA1 )
6.0 0.1 0.1 peak 42 volume 194.47330 ppm1 1.1992804 ppm2 4.6204534
ASSI ( resid 27 and name HG1 )
( resid 27 and name HA )
6.0 0.1 0.1 peak 43 volume 841.25159 ppm1 0.9352883 ppm2 4.5912724
OR ( resid 27 and name HG1 )
( resid 10 and name HA )
OR ( resid 27 and name HG2 )
( resid 27 and name HA )
OR ( resid 27 and name HG2 )
( resid 10 and name HA )
ASSI ( resid 17 and name HD22 )
( resid 13 and name HA )
6.0 0.1 0.1 peak 44 volume 58.63010 ppm1 -0.1865142 ppm2 4.7774611
OR ( resid 17 and name HD22 )
( resid 31 and name HA )
OR ( resid 17 and name HD23 )
( resid 13 and name HA )
OR ( resid 17 and name HD23 )
( resid 31 and name HA )
OR ( resid 17 and name HD21 )
( resid 13 and name HA )
OR ( resid 17 and name HD21 )
( resid 31 and name HA )
ASSI ( resid 33 and name HA )
( resid 18 and name HA )
6.0 0.1 0.1 peak 45 volume 176.97160 ppm1 4.1673818 ppm2 4.3777432
ASSI ( resid 33 and name HD1 )
( resid 17 and name HA )
6.0 0.1 0.1 peak 46 volume 283.23401 ppm1 3.9788268 ppm2 4.4519029
ASSI ( resid 21 and name HA2 )
( resid 21 and name HA1 )
6.0 0.1 0.1 peak 47 volume 3561.33472 ppm1 3.9284329 ppm2 4.2651124
ASSI ( resid 16 and name HB1 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 48 volume 422.65302 ppm1 3.5735257 ppm2 4.3736730
ASSI ( resid 33 and name HD2 )
( resid 17 and name HA )
6.0 0.1 0.1 peak 49 volume 117.25310 ppm1 3.5081160 ppm2 4.4518332
ASSI ( resid 26 and name HB1 )
( resid 26 and name HA )
6.0 0.1 0.1 peak 50 volume 822.09668 ppm1 3.3754652 ppm2 4.3985543
ASSI ( resid 16 and name HB2 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 51 volume 539.03522 ppm1 3.3008332 ppm2 4.3707638
ASSI ( resid 26 and name HB2 )
( resid 26 and name HA )
6.0 0.1 0.1 peak 52 volume 757.98389 ppm1 3.2096164 ppm2 4.3947988
OR ( resid 26 and name HB2 )
( resid 3 and name HA )
OR ( resid 3 and name HB1 )
( resid 26 and name HA )
OR ( resid 3 and name HB1 )
( resid 3 and name HA )
OR ( resid 2 and name HB1 )
( resid 26 and name HA )
OR ( resid 2 and name HB1 )
( resid 3 and name HA )
ASSI ( resid 3 and name HB2 )
( resid 3 and name HA )
6.0 0.1 0.1 peak 53 volume 625.85052 ppm1 2.6250541 ppm2 4.3913579
OR ( resid 29 and name HB1 )
( resid 3 and name HA )
ASSI ( resid 14 and name HB1 )
( resid 14 and name HA )
6.0 0.1 0.1 peak 54 volume 1194.00513 ppm1 2.2868421 ppm2 4.4112883
ASSI ( resid 20 and name HB )
( resid 20 and name HA )
6.0 0.1 0.1 peak 55 volume 735.96362 ppm1 2.1883607 ppm2 4.4479833
ASSI ( resid 18 and name HB )
( resid 18 and name HA )
6.0 0.1 0.1 peak 56 volume 733.63757 ppm1 1.6707850 ppm2 4.3742151
OR ( resid 19 and name HB2 )
( resid 18 and name HA )
ASSI ( resid 14 and name HB2 )
( resid 14 and name HA )
6.0 0.1 0.1 peak 57 volume 696.32953 ppm1 1.6961288 ppm2 4.4084806
OR ( resid 14 and name HB2 )
( resid 3 and name HA )
OR ( resid 4 and name HB2 )
( resid 14 and name HA )
OR ( resid 4 and name HB2 )
( resid 3 and name HA )
OR ( resid 4 and name HD2 )
( resid 14 and name HA )
OR ( resid 4 and name HD2 )
( resid 3 and name HA )
OR ( resid 4 and name HD1 )
( resid 14 and name HA )
OR ( resid 4 and name HD1 )
( resid 3 and name HA )
ASSI ( resid 17 and name HB1 )
( resid 17 and name HA )
6.0 0.1 0.1 peak 58 volume 401.87921 ppm1 1.2283922 ppm2 4.4496288
ASSI ( resid 17 and name HG )
( resid 17 and name HA )
6.0 0.1 0.1 peak 59 volume 966.02441 ppm1 1.0069175 ppm2 4.4490929
ASSI ( resid 20 and name HG11 )
( resid 20 and name HA )
6.0 0.1 0.1 peak 60 volume 690.88641 ppm1 0.8972117 ppm2 4.4471326
OR ( resid 20 and name HG13 )
( resid 20 and name HA )
OR ( resid 20 and name HG12 )
( resid 20 and name HA )
ASSI ( resid 18 and name HG21 )
( resid 18 and name HA )
6.0 0.1 0.1 peak 61 volume 745.64062 ppm1 0.8042200 ppm2 4.3718367
ASSI ( resid 18 and name HD11 )
( resid 18 and name HA )
6.0 0.1 0.1 peak 62 volume 228.35789 ppm1 0.7546874 ppm2 4.3725915
ASSI ( resid 20 and name HG21 )
( resid 20 and name HA )
6.0 0.1 0.1 peak 63 volume 331.46811 ppm1 0.7309994 ppm2 4.4451160
OR ( resid 20 and name HG22 )
( resid 20 and name HA )
OR ( resid 20 and name HG23 )
( resid 20 and name HA )
ASSI ( resid 17 and name HD21 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 64 volume 123.88670 ppm1 -0.1829176 ppm2 4.5563555
OR ( resid 17 and name HD22 )
( resid 32 and name HA )
OR ( resid 17 and name HD23 )
( resid 32 and name HA )
ASSI ( resid 17 and name HD21 )
( resid 17 and name HA )
6.0 0.1 0.1 peak 65 volume 312.92679 ppm1 -0.1827798 ppm2 4.4468269
OR ( resid 17 and name HD22 )
( resid 17 and name HA )
OR ( resid 17 and name HD23 )
( resid 17 and name HA )
ASSI ( resid 5 and name HA2 )
( resid 5 and name HA1 )
6.0 0.1 0.1 peak 66 volume 3554.27393 ppm1 3.8600976 ppm2 4.1903973
ASSI ( resid 11 and name HA2 )
( resid 11 and name HA1 )
6.0 0.1 0.1 peak 67 volume 5087.68213 ppm1 3.5407295 ppm2 4.0405169
ASSI ( resid 33 and name HD2 )
( resid 33 and name HD1 )
6.0 0.1 0.1 peak 68 volume 3370.55493 ppm1 3.5029037 ppm2 3.9813874
ASSI ( resid 15 and name HB2 )
( resid 15 and name HA )
6.0 0.1 0.1 peak 69 volume 267.13870 ppm1 3.6822052 ppm2 3.9708946
ASSI ( resid 15 and name HB1 )
( resid 15 and name HA )
6.0 0.1 0.1 peak 70 volume 203.57210 ppm1 3.7336605 ppm2 3.9711852
ASSI ( resid 24 and name HB1 )
( resid 24 and name HA )
6.0 0.1 0.1 peak 71 volume 651.97888 ppm1 2.9761202 ppm2 4.1805949
ASSI ( resid 24 and name HB2 )
( resid 24 and name HA )
6.0 0.1 0.1 peak 72 volume 532.61267 ppm1 2.8823521 ppm2 4.1790929
ASSI ( resid 33 and name HB1 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 73 volume 1014.91559 ppm1 2.2605679 ppm2 4.1704078
ASSI ( resid 33 and name HG1 )
( resid 33 and name HD1 )
6.0 0.1 0.1 peak 74 volume 474.13080 ppm1 2.1162221 ppm2 3.9803078
OR ( resid 33 and name HG2 )
( resid 33 and name HD1 )
ASSI ( resid 33 and name HG1 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 75 volume 136.42999 ppm1 2.1250234 ppm2 4.1642146
OR ( resid 33 and name HG2 )
( resid 33 and name HA )
ASSI ( resid 33 and name HB2 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 76 volume 662.11279 ppm1 1.9847243 ppm2 4.1668673
ASSI ( resid 33 and name HB2 )
( resid 33 and name HD1 )
6.0 0.1 0.1 peak 77 volume 686.77399 ppm1 1.9756372 ppm2 3.9793015
ASSI ( resid 4 and name HB1 )
( resid 4 and name HA )
6.0 0.1 0.1 peak 78 volume 581.42450 ppm1 1.7742684 ppm2 4.0674748
ASSI ( resid 4 and name HB2 )
( resid 4 and name HA )
6.0 0.1 0.1 peak 79 volume 853.49579 ppm1 1.7045391 ppm2 4.0664444
OR ( resid 4 and name HD1 )
( resid 4 and name HA )
OR ( resid 4 and name HD2 )
( resid 4 and name HA )
ASSI ( resid 1 and name HB1 )
( resid 1 and name HA )
6.0 0.1 0.1 peak 80 volume 960.43408 ppm1 1.6216577 ppm2 3.9366994
OR ( resid 1 and name HB2 )
( resid 1 and name HA )
ASSI ( resid 4 and name HG1 )
( resid 4 and name HA )
6.0 0.1 0.1 peak 81 volume 400.27151 ppm1 1.4503130 ppm2 4.0667582
ASSI ( resid 36 and name HB1 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 82 volume 155.29320 ppm1 1.3030330 ppm2 4.1639614
OR ( resid 36 and name HB1 )
( resid 5 and name HA1 )
OR ( resid 31 and name HG1 )
( resid 33 and name HA )
OR ( resid 31 and name HG1 )
( resid 5 and name HA1 )
ASSI ( resid 36 and name HB1 )
( resid 36 and name HA )
6.0 0.1 0.1 peak 83 volume 759.17578 ppm1 1.3034413 ppm2 4.0331650
OR ( resid 31 and name HG1 )
( resid 36 and name HA )
ASSI ( resid 18 and name HG12 )
( resid 18 and name HA )
6.0 0.1 0.1 peak 84 volume 158.84140 ppm1 0.9819474 ppm2 4.3698711
ASSI ( resid 18 and name HG12 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 85 volume 197.29539 ppm1 0.9784091 ppm2 4.1686835
ASSI ( resid 1 and name HD12 )
( resid 1 and name HA )
6.0 0.1 0.1 peak 86 volume 706.61700 ppm1 0.8802496 ppm2 3.9334111
OR ( resid 1 and name HD22 )
( resid 1 and name HA )
OR ( resid 1 and name HD13 )
( resid 1 and name HA )
OR ( resid 1 and name HD11 )
( resid 1 and name HA )
OR ( resid 1 and name HD21 )
( resid 1 and name HA )
OR ( resid 1 and name HD23 )
( resid 1 and name HA )
OR ( resid 20 and name HG11 )
( resid 1 and name HA )
OR ( resid 20 and name HG12 )
( resid 1 and name HA )
OR ( resid 20 and name HG13 )
( resid 1 and name HA )
ASSI ( resid 18 and name HD11 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 87 volume 412.16940 ppm1 0.7588241 ppm2 4.1706228
ASSI ( resid 22 and name HB2 )
( resid 22 and name HB1 )
6.0 0.1 0.1 peak 88 volume 3792.14990 ppm1 3.7101393 ppm2 3.8927836
ASSI ( resid 7 and name HB2 )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 89 volume 4578.92432 ppm1 3.6929164 ppm2 3.8402069
ASSI ( resid 22 and name HB2 )
( resid 22 and name HB1 )
6.0 0.1 0.1 peak 90 volume 316.10931 ppm1 3.7381055 ppm2 3.8966069
ASSI ( resid 25 and name HA2 )
( resid 25 and name HA1 )
6.0 0.1 0.1 peak 91 volume 5331.25830 ppm1 3.3535323 ppm2 3.7358046
ASSI ( resid 8 and name HB1 )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 92 volume 431.07599 ppm1 2.9047091 ppm2 3.6780751
OR ( resid 9 and name HB2 )
( resid 28 and name HB1 )
ASSI ( resid 31 and name HE2 )
( resid 6 and name HA2 )
6.0 0.1 0.1 peak 93 volume 94.42810 ppm1 2.7496850 ppm2 3.6765041
OR ( resid 31 and name HE1 )
( resid 6 and name HA2 )
ASSI ( resid 19 and name HD2 )
( resid 28 and name HB2 )
6.0 0.1 0.1 peak 94 volume 515.65552 ppm1 1.5089835 ppm2 3.6595218
OR ( resid 19 and name HD1 )
( resid 28 and name HB2 )
ASSI ( resid 14 and name HB2 )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 95 volume 322.99231 ppm1 1.6977432 ppm2 3.6595218
ASSI ( resid 31 and name HG2 )
( resid 6 and name HA2 )
6.0 0.1 0.1 peak 96 volume 574.02051 ppm1 1.1934788 ppm2 3.6648481
ASSI ( resid 16 and name HB2 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 97 volume 4055.36426 ppm1 3.2964787 ppm2 3.5699375
ASSI ( resid 26 and name HB2 )
( resid 26 and name HB1 )
6.0 0.1 0.1 peak 98 volume 4930.20947 ppm1 3.2191405 ppm2 3.3772826
ASSI ( resid 2 and name HB2 )
( resid 2 and name HB1 )
6.0 0.1 0.1 peak 99 volume 5268.85596 ppm1 3.0762229 ppm2 3.2059648
ASSI ( resid 10 and name HB2 )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 100 volume 5582.53467 ppm1 3.0147278 ppm2 3.1709480
ASSI ( resid 9 and name HB2 )
( resid 9 and name HB1 )
6.0 0.1 0.1 peak 101 volume 6446.61865 ppm1 2.8914671 ppm2 3.2849412
ASSI ( resid 3 and name HB2 )
( resid 3 and name HB1 )
6.0 0.1 0.1 peak 102 volume 4277.02051 ppm1 2.6356206 ppm2 3.1877551
OR ( resid 3 and name HB2 )
( resid 2 and name HB1 )
OR ( resid 29 and name HB1 )
( resid 3 and name HB1 )
OR ( resid 29 and name HB1 )
( resid 2 and name HB1 )
ASSI ( resid 8 and name HB2 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 103 volume 338.42661 ppm1 2.4479003 ppm2 3.1405938
OR ( resid 8 and name HB2 )
( resid 23 and name HB1 )
ASSI ( resid 32 and name HB1 )
( resid 33 and name HD2 )
6.0 0.1 0.1 peak 104 volume 112.77880 ppm1 2.3852022 ppm2 3.5040555
ASSI ( resid 33 and name HG2 )
( resid 33 and name HD2 )
6.0 0.1 0.1 peak 105 volume 937.64722 ppm1 2.1233118 ppm2 3.5029366
OR ( resid 33 and name HG1 )
( resid 33 and name HD2 )
OR ( resid 32 and name HB2 )
( resid 33 and name HD2 )
ASSI ( resid 33 and name HB2 )
( resid 33 and name HD2 )
6.0 0.1 0.1 peak 106 volume 507.19330 ppm1 1.9774139 ppm2 3.5051899
ASSI ( resid 24 and name HB2 )
( resid 24 and name HB1 )
6.0 0.1 0.1 peak 107 volume 3124.11084 ppm1 2.8785989 ppm2 2.9806306
ASSI ( resid 14 and name HD2 )
( resid 14 and name HD1 )
6.0 0.1 0.1 peak 108 volume 3595.58301 ppm1 2.7765145 ppm2 2.9874725
OR ( resid 14 and name HD2 )
( resid 24 and name HB1 )
OR ( resid 27 and name HD1 )
( resid 14 and name HD1 )
OR ( resid 27 and name HD1 )
( resid 24 and name HB1 )
ASSI ( resid 13 and name HB2 )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 109 volume 301.48859 ppm1 2.4892588 ppm2 2.9073172
OR ( resid 13 and name HB1 )
( resid 9 and name HB2 )
ASSI ( resid 8 and name HB2 )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 110 volume 4054.06152 ppm1 2.4447775 ppm2 2.9023705
OR ( resid 8 and name HB2 )
( resid 9 and name HB2 )
OR ( resid 8 and name HB2 )
( resid 24 and name HB2 )
ASSI ( resid 35 and name HB2 )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 111 volume 5056.12354 ppm1 2.5800600 ppm2 2.8388519
ASSI ( resid 13 and name HB2 )
( resid 14 and name HD1 )
6.0 0.1 0.1 peak 112 volume 270.77802 ppm1 2.4892251 ppm2 2.9922662
OR ( resid 13 and name HB1 )
( resid 14 and name HD1 )
ASSI ( resid 30 and name HB2 )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 113 volume 4305.26221 ppm1 2.5457969 ppm2 2.7411132
OR ( resid 30 and name HB2 )
( resid 31 and name HE2 )
OR ( resid 30 and name HB2 )
( resid 31 and name HE1 )
ASSI ( resid 13 and name HB2 )
( resid 14 and name HD2 )
6.0 0.1 0.1 peak 114 volume 895.21619 ppm1 2.4865167 ppm2 2.7739046
OR ( resid 13 and name HB1 )
( resid 14 and name HD2 )
ASSI ( resid 8 and name HB2 )
( resid 27 and name HD2 )
6.0 0.1 0.1 peak 115 volume 141.73630 ppm1 2.4455526 ppm2 2.7110693
ASSI ( resid 14 and name HB1 )
( resid 14 and name HD1 )
6.0 0.1 0.1 peak 116 volume 131.28960 ppm1 2.2923779 ppm2 2.9881101
ASSI ( resid 4 and name HD2 )
( resid 4 and name HE1 )
6.0 0.1 0.1 peak 117 volume 1290.21106 ppm1 1.6881658 ppm2 2.9849730
OR ( resid 4 and name HD2 )
( resid 4 and name HE2 )
OR ( resid 4 and name HD2 )
( resid 14 and name HD1 )
OR ( resid 4 and name HD1 )
( resid 4 and name HE1 )
OR ( resid 4 and name HD1 )
( resid 4 and name HE2 )
OR ( resid 4 and name HD1 )
( resid 14 and name HD1 )
OR ( resid 14 and name HB2 )
( resid 4 and name HE1 )
OR ( resid 14 and name HB2 )
( resid 4 and name HE2 )
OR ( resid 14 and name HB2 )
( resid 14 and name HD1 )
OR ( resid 4 and name HB2 )
( resid 4 and name HE1 )
OR ( resid 4 and name HB2 )
( resid 4 and name HE2 )
OR ( resid 4 and name HB2 )
( resid 14 and name HD1 )
ASSI ( resid 19 and name HB2 )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 118 volume 789.61981 ppm1 1.6696706 ppm2 2.9044356
ASSI ( resid 14 and name HB2 )
( resid 14 and name HD2 )
6.0 0.1 0.1 peak 119 volume 443.82071 ppm1 1.6889361 ppm2 2.7770114
ASSI ( resid 1 and name HG )
( resid 31 and name HE1 )
6.0 0.1 0.1 peak 120 volume 1427.37390 ppm1 1.5775942 ppm2 2.7461736
OR ( resid 1 and name HG )
( resid 31 and name HE2 )
ASSI ( resid 19 and name HD2 )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 121 volume 696.25311 ppm1 1.5061879 ppm2 2.9102261
OR ( resid 19 and name HD2 )
( resid 8 and name HB1 )
OR ( resid 27 and name HB1 )
( resid 9 and name HB2 )
OR ( resid 27 and name HB1 )
( resid 8 and name HB1 )
ASSI ( resid 27 and name HB1 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 122 volume 908.20898 ppm1 1.4862605 ppm2 3.1417181
OR ( resid 27 and name HB1 )
( resid 23 and name HB1 )
ASSI ( resid 14 and name HG1 )
( resid 14 and name HD1 )
6.0 0.1 0.1 peak 123 volume 545.86572 ppm1 1.4599128 ppm2 2.9835770
OR ( resid 14 and name HG1 )
( resid 4 and name HE1 )
OR ( resid 14 and name HG1 )
( resid 4 and name HE2 )
OR ( resid 14 and name HG2 )
( resid 14 and name HD1 )
OR ( resid 14 and name HG2 )
( resid 4 and name HE1 )
OR ( resid 14 and name HG2 )
( resid 4 and name HE2 )
OR ( resid 4 and name HG1 )
( resid 14 and name HD1 )
OR ( resid 4 and name HG1 )
( resid 4 and name HE1 )
OR ( resid 4 and name HG1 )
( resid 4 and name HE2 )
ASSI ( resid 19 and name HG1 )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 124 volume 603.86371 ppm1 1.3833940 ppm2 2.9054761
OR ( resid 19 and name HG2 )
( resid 9 and name HB2 )
ASSI ( resid 27 and name HB2 )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 125 volume 182.14391 ppm1 1.4273230 ppm2 2.9004312
OR ( resid 27 and name HB2 )
( resid 9 and name HB2 )
ASSI ( resid 4 and name HG2 )
( resid 4 and name HE2 )
6.0 0.1 0.1 peak 126 volume 113.00530 ppm1 1.3539077 ppm2 2.9657187
OR ( resid 4 and name HG2 )
( resid 4 and name HE1 )
ASSI ( resid 27 and name HB1 )
( resid 27 and name HD1 )
6.0 0.1 0.1 peak 127 volume 324.93750 ppm1 1.5068933 ppm2 2.7839258
ASSI ( resid 27 and name HB1 )
( resid 27 and name HD2 )
6.0 0.1 0.1 peak 128 volume 491.84299 ppm1 1.4920992 ppm2 2.7057409
ASSI ( resid 27 and name HB2 )
( resid 27 and name HD2 )
6.0 0.1 0.1 peak 129 volume 334.50851 ppm1 1.4285343 ppm2 2.7029414
ASSI ( resid 14 and name HG2 )
( resid 14 and name HD2 )
6.0 0.1 0.1 peak 130 volume 776.64868 ppm1 1.4660041 ppm2 2.7794192
OR ( resid 14 and name HG1 )
( resid 14 and name HD2 )
ASSI ( resid 27 and name HB2 )
( resid 27 and name HD1 )
6.0 0.1 0.1 peak 131 volume 313.31769 ppm1 1.4383883 ppm2 2.7822018
ASSI ( resid 31 and name HG1 )
( resid 31 and name HE1 )
6.0 0.1 0.1 peak 132 volume 237.72600 ppm1 1.3178940 ppm2 2.7514153
OR ( resid 31 and name HG1 )
( resid 31 and name HE2 )
ASSI ( resid 31 and name HG1 )
( resid 31 and name HE1 )
6.0 0.1 0.1 peak 133 volume 346.17499 ppm1 1.2989808 ppm2 2.7447119
OR ( resid 31 and name HG1 )
( resid 31 and name HE2 )
ASSI ( resid 17 and name HB1 )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 134 volume 273.93909 ppm1 1.2336665 ppm2 2.7603669
ASSI ( resid 31 and name HG2 )
( resid 31 and name HE2 )
6.0 0.1 0.1 peak 135 volume 727.40228 ppm1 1.2046993 ppm2 2.7475929
OR ( resid 31 and name HG2 )
( resid 31 and name HE1 )
ASSI ( resid 17 and name HG )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 136 volume 344.21460 ppm1 1.0074990 ppm2 2.7504315
ASSI ( resid 27 and name HG2 )
( resid 27 and name HD2 )
6.0 0.1 0.1 peak 137 volume 301.48740 ppm1 0.9298617 ppm2 2.7022309
OR ( resid 27 and name HG1 )
( resid 27 and name HD2 )
ASSI ( resid 27 and name HG1 )
( resid 27 and name HD1 )
6.0 0.1 0.1 peak 138 volume 502.28070 ppm1 0.9335178 ppm2 2.7871091
OR ( resid 27 and name HG2 )
( resid 27 and name HD1 )
ASSI ( resid 20 and name HG11 )
( resid 31 and name HE2 )
6.0 0.1 0.1 peak 139 volume 190.84920 ppm1 0.8938276 ppm2 2.7532704
OR ( resid 20 and name HG11 )
( resid 31 and name HE1 )
OR ( resid 20 and name HG12 )
( resid 31 and name HE2 )
OR ( resid 20 and name HG12 )
( resid 31 and name HE1 )
OR ( resid 20 and name HG13 )
( resid 31 and name HE2 )
OR ( resid 20 and name HG13 )
( resid 31 and name HE1 )
ASSI ( resid 20 and name HG22 )
( resid 31 and name HE1 )
6.0 0.1 0.1 peak 140 volume 194.55360 ppm1 0.7297632 ppm2 2.7434916
OR ( resid 20 and name HG22 )
( resid 31 and name HE2 )
OR ( resid 20 and name HG21 )
( resid 31 and name HE1 )
OR ( resid 20 and name HG21 )
( resid 31 and name HE2 )
OR ( resid 20 and name HG23 )
( resid 31 and name HE1 )
OR ( resid 20 and name HG23 )
( resid 31 and name HE2 )
ASSI ( resid 17 and name HD12 )
( resid 14 and name HD1 )
6.0 0.1 0.1 peak 141 volume 202.41510 ppm1 0.2499502 ppm2 2.9912281
OR ( resid 17 and name HD13 )
( resid 14 and name HD1 )
OR ( resid 17 and name HD11 )
( resid 14 and name HD1 )
ASSI ( resid 17 and name HD11 )
( resid 31 and name HE2 )
6.0 0.1 0.1 peak 142 volume 696.58508 ppm1 0.2490859 ppm2 2.7646251
OR ( resid 17 and name HD11 )
( resid 31 and name HE1 )
OR ( resid 17 and name HD13 )
( resid 31 and name HE2 )
OR ( resid 17 and name HD13 )
( resid 31 and name HE1 )
OR ( resid 17 and name HD12 )
( resid 31 and name HE2 )
OR ( resid 17 and name HD12 )
( resid 31 and name HE1 )
ASSI ( resid 29 and name HB2 )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 143 volume 3001.28735 ppm1 2.4799800 ppm2 2.6353953
OR ( resid 29 and name HB2 )
( resid 3 and name HB2 )
ASSI ( resid 20 and name HB )
( resid 31 and name HE2 )
6.0 0.1 0.1 peak 144 volume 127.66670 ppm1 2.1853309 ppm2 2.7430398
OR ( resid 20 and name HB )
( resid 31 and name HE1 )
ASSI ( resid 31 and name HB1 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 145 volume 110.00810 ppm1 1.9099824 ppm2 2.5862458
ASSI ( resid 32 and name HB2 )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 146 volume 3926.11230 ppm1 2.1399634 ppm2 2.3862257
ASSI ( resid 27 and name HB1 )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 147 volume 263.81799 ppm1 1.4758962 ppm2 2.4506571
ASSI ( resid 27 and name HB2 )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 148 volume 478.20160 ppm1 1.4259617 ppm2 2.4425051
ASSI ( resid 17 and name HB1 )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 149 volume 428.80569 ppm1 1.2258263 ppm2 2.5514686
ASSI ( resid 17 and name HB1 )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 150 volume 842.88379 ppm1 1.2253677 ppm2 2.4887919
OR ( resid 17 and name HB1 )
( resid 13 and name HB1 )
ASSI ( resid 17 and name HG )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 151 volume 913.86292 ppm1 1.0088326 ppm2 2.5484393
ASSI ( resid 17 and name HG )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 152 volume 443.16711 ppm1 1.0060145 ppm2 2.4861779
OR ( resid 17 and name HG )
( resid 13 and name HB1 )
ASSI ( resid 17 and name HD11 )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 153 volume 365.49271 ppm1 0.2488647 ppm2 2.5425906
OR ( resid 17 and name HD13 )
( resid 30 and name HB2 )
OR ( resid 17 and name HD12 )
( resid 30 and name HB2 )
ASSI ( resid 33 and name HG1 )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 154 volume 423.90741 ppm1 2.1100321 ppm2 2.2629685
OR ( resid 33 and name HG2 )
( resid 33 and name HB1 )
ASSI ( resid 33 and name HB2 )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 155 volume 4190.28369 ppm1 1.9879663 ppm2 2.2638812
ASSI ( resid 33 and name HB2 )
( resid 33 and name HG2 )
6.0 0.1 0.1 peak 156 volume 3193.93530 ppm1 1.9765922 ppm2 2.1150963
OR ( resid 33 and name HB2 )
( resid 33 and name HG1 )
ASSI ( resid 14 and name HB2 )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 157 volume 4336.07275 ppm1 1.6933054 ppm2 2.2878091
ASSI ( resid 14 and name HG1 )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 158 volume 324.23801 ppm1 1.4621609 ppm2 2.2878091
OR ( resid 14 and name HG2 )
( resid 14 and name HB1 )
ASSI ( resid 20 and name HG12 )
( resid 20 and name HB )
6.0 0.1 0.1 peak 159 volume 1024.94421 ppm1 0.8944982 ppm2 2.1862445
OR ( resid 20 and name HG11 )
( resid 20 and name HB )
OR ( resid 20 and name HG13 )
( resid 20 and name HB )
ASSI ( resid 18 and name HG21 )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 160 volume 136.57750 ppm1 0.8052791 ppm2 2.2620442
ASSI ( resid 18 and name HD11 )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 161 volume 128.51790 ppm1 0.7596371 ppm2 2.2631233
ASSI ( resid 20 and name HG23 )
( resid 20 and name HB )
6.0 0.1 0.1 peak 162 volume 1043.60254 ppm1 0.7295591 ppm2 2.1849875
OR ( resid 20 and name HG21 )
( resid 20 and name HB )
OR ( resid 20 and name HG22 )
( resid 20 and name HB )
ASSI ( resid 19 and name HB2 )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 163 volume 4255.91113 ppm1 1.6657516 ppm2 1.8798923
ASSI ( resid 1 and name HG )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 164 volume 928.72650 ppm1 1.5827357 ppm2 1.9137975
ASSI ( resid 31 and name HB2 )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 165 volume 4074.73071 ppm1 1.4717040 ppm2 1.9152640
ASSI ( resid 19 and name HD1 )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 166 volume 731.38892 ppm1 1.5141369 ppm2 1.8903204
OR ( resid 19 and name HD2 )
( resid 19 and name HB1 )
ASSI ( resid 19 and name HG1 )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 167 volume 451.42340 ppm1 1.3885589 ppm2 1.8821089
OR ( resid 19 and name HG2 )
( resid 19 and name HB1 )
ASSI ( resid 4 and name HG1 )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 168 volume 534.13251 ppm1 1.4383669 ppm2 1.7724427
ASSI ( resid 14 and name HG2 )
( resid 14 and name HB2 )
6.0 0.1 0.1 peak 169 volume 4372.57520 ppm1 1.4603082 ppm2 1.6888953
OR ( resid 14 and name HG2 )
( resid 4 and name HD2 )
OR ( resid 14 and name HG2 )
( resid 4 and name HD1 )
OR ( resid 14 and name HG2 )
( resid 4 and name HB2 )
OR ( resid 14 and name HG2 )
( resid 18 and name HB )
OR ( resid 14 and name HG1 )
( resid 14 and name HB2 )
OR ( resid 14 and name HG1 )
( resid 4 and name HD2 )
OR ( resid 14 and name HG1 )
( resid 4 and name HD1 )
OR ( resid 14 and name HG1 )
( resid 4 and name HB2 )
OR ( resid 14 and name HG1 )
( resid 18 and name HB )
OR ( resid 4 and name HG1 )
( resid 14 and name HB2 )
OR ( resid 4 and name HG1 )
( resid 4 and name HD2 )
OR ( resid 4 and name HG1 )
( resid 4 and name HD1 )
OR ( resid 4 and name HG1 )
( resid 4 and name HB2 )
OR ( resid 4 and name HG1 )
( resid 18 and name HB )
OR ( resid 31 and name HB2 )
( resid 14 and name HB2 )
OR ( resid 31 and name HB2 )
( resid 4 and name HD2 )
OR ( resid 31 and name HB2 )
( resid 4 and name HD1 )
OR ( resid 31 and name HB2 )
( resid 4 and name HB2 )
OR ( resid 31 and name HB2 )
( resid 18 and name HB )
ASSI ( resid 19 and name HD2 )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 170 volume 1934.17529 ppm1 1.5092793 ppm2 1.6727372
OR ( resid 19 and name HD1 )
( resid 19 and name HB2 )
ASSI ( resid 19 and name HG2 )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 171 volume 636.35461 ppm1 1.3916955 ppm2 1.6691964
OR ( resid 19 and name HG1 )
( resid 19 and name HB2 )
ASSI ( resid 4 and name HG2 )
( resid 4 and name HD2 )
6.0 0.1 0.1 peak 172 volume 2136.46606 ppm1 1.3556218 ppm2 1.6898800
OR ( resid 4 and name HG2 )
( resid 4 and name HB2 )
OR ( resid 4 and name HG2 )
( resid 4 and name HD1 )
ASSI ( resid 31 and name HG1 )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 173 volume 294.06781 ppm1 1.3084984 ppm2 1.9098347
OR ( resid 36 and name HB1 )
( resid 31 and name HB1 )
ASSI ( resid 31 and name HG2 )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 174 volume 599.22028 ppm1 1.2000372 ppm2 1.9141712
ASSI ( resid 18 and name HG21 )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 175 volume 111.17570 ppm1 0.8042981 ppm2 1.9830047
ASSI ( resid 18 and name HD11 )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 176 volume 136.92740 ppm1 0.7603139 ppm2 1.9758012
ASSI ( resid 4 and name HG2 )
( resid 4 and name HG1 )
6.0 0.1 0.1 peak 177 volume 511.95969 ppm1 1.3495915 ppm2 1.4582335
OR ( resid 4 and name HG2 )
( resid 31 and name HB2 )
OR ( resid 18 and name HG11 )
( resid 4 and name HG1 )
OR ( resid 18 and name HG11 )
( resid 31 and name HB2 )
ASSI ( resid 31 and name HG1 )
( resid 1 and name HG )
6.0 0.1 0.1 peak 178 volume 967.97882 ppm1 1.3047495 ppm2 1.5784171
OR ( resid 36 and name HB1 )
( resid 1 and name HG )
ASSI ( resid 31 and name HG1 )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 179 volume 113.19790 ppm1 1.3086121 ppm2 1.4847404
ASSI ( resid 31 and name HG2 )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 180 volume 540.51678 ppm1 1.1949230 ppm2 1.4768314
ASSI ( resid 31 and name HG2 )
( resid 1 and name HG )
6.0 0.1 0.1 peak 181 volume 1010.28339 ppm1 1.1967021 ppm2 1.5814857
ASSI ( resid 18 and name HG12 )
( resid 18 and name HB )
6.0 0.1 0.1 peak 182 volume 182.94189 ppm1 0.9850359 ppm2 1.6670465
ASSI ( resid 1 and name HD13 )
( resid 1 and name HB2 )
6.0 0.1 0.1 peak 183 volume 1985.79602 ppm1 0.8858119 ppm2 1.6136193
OR ( resid 1 and name HD13 )
( resid 1 and name HB1 )
OR ( resid 1 and name HD12 )
( resid 1 and name HB2 )
OR ( resid 1 and name HD12 )
( resid 1 and name HB1 )
OR ( resid 1 and name HD21 )
( resid 1 and name HB2 )
OR ( resid 1 and name HD21 )
( resid 1 and name HB1 )
OR ( resid 1 and name HD22 )
( resid 1 and name HB2 )
OR ( resid 1 and name HD22 )
( resid 1 and name HB1 )
OR ( resid 1 and name HD23 )
( resid 1 and name HB2 )
OR ( resid 1 and name HD23 )
( resid 1 and name HB1 )
OR ( resid 1 and name HD11 )
( resid 1 and name HB2 )
OR ( resid 1 and name HD11 )
( resid 1 and name HB1 )
OR ( resid 20 and name HG11 )
( resid 1 and name HB2 )
OR ( resid 20 and name HG11 )
( resid 1 and name HB1 )
OR ( resid 20 and name HG12 )
( resid 1 and name HB2 )
OR ( resid 20 and name HG12 )
( resid 1 and name HB1 )
OR ( resid 20 and name HG13 )
( resid 1 and name HB2 )
OR ( resid 20 and name HG13 )
( resid 1 and name HB1 )
ASSI ( resid 27 and name HG1 )
( resid 27 and name HB1 )
6.0 0.1 0.1 peak 184 volume 3164.51758 ppm1 0.9311729 ppm2 1.4985319
OR ( resid 27 and name HG2 )
( resid 27 and name HB1 )
ASSI ( resid 27 and name HG2 )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 185 volume 561.34583 ppm1 0.9294539 ppm2 1.4332575
OR ( resid 27 and name HG1 )
( resid 27 and name HB2 )
ASSI ( resid 18 and name HG12 )
( resid 18 and name HG11 )
6.0 0.1 0.1 peak 186 volume 3103.95972 ppm1 0.9804518 ppm2 1.3593241
ASSI ( resid 18 and name HG21 )
( resid 18 and name HB )
6.0 0.1 0.1 peak 187 volume 1122.21118 ppm1 0.8051339 ppm2 1.6694349
OR ( resid 18 and name HG21 )
( resid 19 and name HB2 )
ASSI ( resid 18 and name HD11 )
( resid 18 and name HB )
6.0 0.1 0.1 peak 188 volume 384.72559 ppm1 0.7557660 ppm2 1.6698546
ASSI ( resid 20 and name HG23 )
( resid 1 and name HG )
6.0 0.1 0.1 peak 189 volume 358.64600 ppm1 0.7280881 ppm2 1.5764431
OR ( resid 20 and name HG21 )
( resid 1 and name HG )
OR ( resid 20 and name HG22 )
( resid 1 and name HG )
ASSI ( resid 20 and name HG21 )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 190 volume 90.56170 ppm1 0.7301292 ppm2 1.4765528
OR ( resid 20 and name HG22 )
( resid 31 and name HB2 )
OR ( resid 20 and name HG23 )
( resid 31 and name HB2 )
ASSI ( resid 20 and name HG11 )
( resid 31 and name HG1 )
6.0 0.1 0.1 peak 191 volume 72.38480 ppm1 0.9032068 ppm2 1.3091021
OR ( resid 20 and name HG11 )
( resid 36 and name HB1 )
OR ( resid 20 and name HG12 )
( resid 31 and name HG1 )
OR ( resid 20 and name HG12 )
( resid 36 and name HB1 )
OR ( resid 20 and name HG13 )
( resid 31 and name HG1 )
OR ( resid 20 and name HG13 )
( resid 36 and name HB1 )
ASSI ( resid 18 and name HG21 )
( resid 18 and name HG11 )
6.0 0.1 0.1 peak 192 volume 347.89890 ppm1 0.8039564 ppm2 1.3632219
ASSI ( resid 18 and name HD11 )
( resid 18 and name HG11 )
6.0 0.1 0.1 peak 193 volume 836.03699 ppm1 0.7521342 ppm2 1.3531922
ASSI ( resid 17 and name HD11 )
( resid 14 and name HB2 )
6.0 0.1 0.1 peak 194 volume 371.12610 ppm1 0.2511971 ppm2 1.6923996
OR ( resid 17 and name HD11 )
( resid 4 and name HD2 )
OR ( resid 17 and name HD11 )
( resid 4 and name HD1 )
OR ( resid 17 and name HD12 )
( resid 14 and name HB2 )
OR ( resid 17 and name HD12 )
( resid 4 and name HD2 )
OR ( resid 17 and name HD12 )
( resid 4 and name HD1 )
OR ( resid 17 and name HD13 )
( resid 14 and name HB2 )
OR ( resid 17 and name HD13 )
( resid 4 and name HD2 )
OR ( resid 17 and name HD13 )
( resid 4 and name HD1 )
ASSI ( resid 17 and name HD11 )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 195 volume 201.50420 ppm1 0.2468725 ppm2 1.4622242
OR ( resid 17 and name HD13 )
( resid 31 and name HB2 )
OR ( resid 17 and name HD12 )
( resid 31 and name HB2 )
ASSI ( resid 31 and name HG2 )
( resid 31 and name HG1 )
6.0 0.1 0.1 peak 196 volume 1891.35291 ppm1 1.2035625 ppm2 1.3149347
OR ( resid 31 and name HG2 )
( resid 36 and name HB1 )
ASSI ( resid 17 and name HG )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 197 volume 3091.64648 ppm1 1.0062923 ppm2 1.2249652
ASSI ( resid 20 and name HG22 )
( resid 31 and name HG1 )
6.0 0.1 0.1 peak 198 volume 380.44180 ppm1 0.7285736 ppm2 1.3100073
OR ( resid 20 and name HG22 )
( resid 36 and name HB1 )
OR ( resid 20 and name HG21 )
( resid 31 and name HG1 )
OR ( resid 20 and name HG21 )
( resid 36 and name HB1 )
OR ( resid 20 and name HG23 )
( resid 31 and name HG1 )
OR ( resid 20 and name HG23 )
( resid 36 and name HB1 )
ASSI ( resid 18 and name HG21 )
( resid 18 and name HG12 )
6.0 0.1 0.1 peak 199 volume 321.54559 ppm1 0.8086748 ppm2 0.9835212
ASSI ( resid 18 and name HD11 )
( resid 18 and name HG12 )
6.0 0.1 0.1 peak 200 volume 1393.02429 ppm1 0.7550083 ppm2 0.9815235
ASSI ( resid 17 and name HD11 )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 201 volume 395.05069 ppm1 0.2461770 ppm2 1.2280099
OR ( resid 17 and name HD12 )
( resid 17 and name HB1 )
OR ( resid 17 and name HD13 )
( resid 17 and name HB1 )
ASSI ( resid 17 and name HD12 )
( resid 17 and name HG )
6.0 0.1 0.1 peak 202 volume 312.23431 ppm1 0.2499437 ppm2 1.0055997
OR ( resid 17 and name HD11 )
( resid 17 and name HG )
OR ( resid 17 and name HD13 )
( resid 17 and name HG )
ASSI ( resid 20 and name HG22 )
( resid 20 and name HG13 )
6.0 0.1 0.1 peak 203 volume 907.37347 ppm1 0.7291810 ppm2 0.9002908
OR ( resid 20 and name HG22 )
( resid 20 and name HG11 )
OR ( resid 20 and name HG22 )
( resid 20 and name HG12 )
OR ( resid 20 and name HG21 )
( resid 20 and name HG13 )
OR ( resid 20 and name HG21 )
( resid 20 and name HG11 )
OR ( resid 20 and name HG21 )
( resid 20 and name HG12 )
OR ( resid 20 and name HG23 )
( resid 20 and name HG13 )
OR ( resid 20 and name HG23 )
( resid 20 and name HG11 )
OR ( resid 20 and name HG23 )
( resid 20 and name HG12 )
ASSI ( resid 17 and name HD11 )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 204 volume 424.31400 ppm1 0.2426292 ppm2 0.6693660
OR ( resid 17 and name HD13 )
( resid 17 and name HB2 )
OR ( resid 17 and name HD12 )
( resid 17 and name HB2 )
ASSI ( resid 17 and name HD22 )
( resid 17 and name HD13 )
6.0 0.1 0.1 peak 205 volume 351.68869 ppm1 -0.1850619 ppm2 0.2465690
OR ( resid 17 and name HD22 )
( resid 17 and name HD11 )
OR ( resid 17 and name HD22 )
( resid 17 and name HD12 )
OR ( resid 17 and name HD21 )
( resid 17 and name HD13 )
OR ( resid 17 and name HD21 )
( resid 17 and name HD11 )
OR ( resid 17 and name HD21 )
( resid 17 and name HD12 )
OR ( resid 17 and name HD23 )
( resid 17 and name HD13 )
OR ( resid 17 and name HD23 )
( resid 17 and name HD11 )
OR ( resid 17 and name HD23 )
( resid 17 and name HD12 )
ASSI ( resid 17 and name HD23 )
( resid 17 and name HG )
6.0 0.1 0.1 peak 206 volume 74.37150 ppm1 -0.1802946 ppm2 1.0047685
OR ( resid 17 and name HD21 )
( resid 17 and name HG )
OR ( resid 17 and name HD22 )
( resid 17 and name HG )
ASSI ( resid 17 and name HD21 )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 207 volume 101.99100 ppm1 -0.1842172 ppm2 0.6575059
OR ( resid 17 and name HD22 )
( resid 17 and name HB2 )
OR ( resid 17 and name HD23 )
( resid 17 and name HB2 )
ASSI ( resid 17 and name HD11 )
( resid 17 and name HA )
6.0 0.1 0.1 peak 208 volume 69.03550 ppm1 0.2423399 ppm2 4.4466696
OR ( resid 17 and name HD12 )
( resid 17 and name HA )
OR ( resid 17 and name HD13 )
( resid 17 and name HA )
ASSI ( resid 17 and name HD13 )
( resid 13 and name HA )
6.0 0.1 0.1 peak 209 volume 30.41120 ppm1 0.2509814 ppm2 4.7706404
OR ( resid 17 and name HD13 )
( resid 31 and name HA )
OR ( resid 17 and name HD12 )
( resid 13 and name HA )
OR ( resid 17 and name HD12 )
( resid 31 and name HA )
OR ( resid 17 and name HD11 )
( resid 13 and name HA )
OR ( resid 17 and name HD11 )
( resid 31 and name HA )
ASSI ( resid 27 and name HB2 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 210 volume 1085.58240 ppm1 1.4370127 ppm2 3.1449642
OR ( resid 27 and name HB2 )
( resid 23 and name HB1 )
ASSI ( resid 17 and name HD12 )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 211 volume 113.93190 ppm1 0.2513200 ppm2 2.4931386
OR ( resid 17 and name HD12 )
( resid 13 and name HB2 )
OR ( resid 17 and name HD13 )
( resid 13 and name HB1 )
OR ( resid 17 and name HD13 )
( resid 13 and name HB2 )
OR ( resid 17 and name HD11 )
( resid 13 and name HB1 )
OR ( resid 17 and name HD11 )
( resid 13 and name HB2 )
ASSI ( resid 31 and name HG1 )
( resid 1 and name HB2 )
6.0 0.1 0.1 peak 212 volume 174.04820 ppm1 1.2930660 ppm2 1.6271163
OR ( resid 31 and name HG1 )
( resid 1 and name HB1 )
OR ( resid 36 and name HB1 )
( resid 1 and name HB2 )
OR ( resid 36 and name HB1 )
( resid 1 and name HB1 )
ASSI ( resid 28 and name HB2 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 213 volume 82.16770 ppm1 3.6540215 ppm2 4.8425965
ASSI ( resid 2 and name HB1 )
( resid 23 and name HA )
6.0 0.1 0.1 peak 214 volume 119.13300 ppm1 3.2020378 ppm2 4.7715926
ASSI ( resid 29 and name HB1 )
( resid 22 and name HA )
6.0 0.1 0.1 peak 215 volume 56.75420 ppm1 2.6347113 ppm2 5.0682039
ASSI ( resid 8 and name HB1 )
( resid 22 and name HA )
6.0 0.1 0.1 peak 216 volume 60.04800 ppm1 2.9103189 ppm2 5.0669923
ASSI ( attr store1 < 2.5679147 and attr store1 > 2.5279147 )
( attr store1 < 4.7980342 and attr store1 > 4.7580342 )
6.0 0.1 0.1 peak 217 volume 121.78380 ppm1 2.5479147 ppm2 4.7780342
ASSI ( resid 27 and name HD1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 218 volume 64.81030 ppm1 2.7920570 ppm2 4.5862441
ASSI ( resid 13 and name HB1 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 219 volume 80.37560 ppm1 2.4870079 ppm2 4.3749447
OR ( resid 13 and name HB1 )
( resid 18 and name HA )
OR ( resid 13 and name HB2 )
( resid 16 and name HA )
OR ( resid 13 and name HB2 )
( resid 18 and name HA )
ASSI ( resid 29 and name HB1 )
( resid 21 and name HA1 )
6.0 0.1 0.1 peak 220 volume 53.42970 ppm1 2.6336277 ppm2 4.2673011
ASSI ( resid 32 and name HB1 )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 221 volume 86.64150 ppm1 2.3843560 ppm2 2.8444066
ASSI ( resid 33 and name HB1 )
( resid 33 and name HD1 )
6.0 0.1 0.1 peak 222 volume 102.11370 ppm1 2.2661345 ppm2 3.9855082
ASSI ( resid 19 and name HG1 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 223 volume 356.70319 ppm1 1.3874072 ppm2 4.8446441
OR ( resid 19 and name HG2 )
( resid 19 and name HA )
ASSI ( resid 27 and name HD1 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 224 volume 0.78240 ppm1 2.7837670 ppm2 5.7012405
ASSI ( resid 27 and name HD2 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 225 volume 3.50200 ppm1 2.6845291 ppm2 5.7013812
ASSI ( resid 27 and name HB2 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 226 volume 17.24820 ppm1 1.4228534 ppm2 5.7009172
ASSI ( resid 27 and name HB1 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 227 volume 0.71200 ppm1 1.4884545 ppm2 5.7013812
ASSI ( resid 13 and name HB1 )
( resid 30 and name HA )
6.0 0.1 0.1 peak 228 volume 14.51020 ppm1 2.4887671 ppm2 5.5362606
OR ( resid 13 and name HB2 )
( resid 30 and name HA )
ASSI ( resid 17 and name HB1 )
( resid 30 and name HA )
6.0 0.1 0.1 peak 229 volume 3.95230 ppm1 1.2275071 ppm2 5.5357971
ASSI ( resid 17 and name HG )
( resid 30 and name HA )
6.0 0.1 0.1 peak 230 volume 30.34030 ppm1 1.0054640 ppm2 5.5357971
ASSI ( resid 17 and name HD11 )
( resid 30 and name HA )
6.0 0.1 0.1 peak 231 volume -3.06050 ppm1 0.2580852 ppm2 5.5357971
OR ( resid 17 and name HD13 )
( resid 30 and name HA )
OR ( resid 17 and name HD12 )
( resid 30 and name HA )
ASSI ( resid 20 and name HG22 )
( resid 30 and name HA )
6.0 0.1 0.1 peak 232 volume 34.82620 ppm1 0.7306341 ppm2 5.5399127
OR ( resid 20 and name HG21 )
( resid 30 and name HA )
OR ( resid 20 and name HG23 )
( resid 30 and name HA )
ASSI ( resid 17 and name HD21 )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 233 volume 17.06910 ppm1 -0.1842978 ppm2 2.7438269
OR ( resid 17 and name HD22 )
( resid 30 and name HB1 )
OR ( resid 17 and name HD23 )
( resid 30 and name HB1 )
ASSI ( resid 17 and name HD21 )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 234 volume 9.49010 ppm1 -0.1843924 ppm2 2.5492656
OR ( resid 17 and name HD22 )
( resid 30 and name HB2 )
OR ( resid 17 and name HD23 )
( resid 30 and name HB2 )
ASSI ( resid 22 and name HA )
( resid 28 and name HA )
6.0 0.1 0.1 peak 235 volume 60.18380 ppm1 5.0728426 ppm2 4.6184154
ASSI ( resid 22 and name HA )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 236 volume 4.49560 ppm1 5.0706964 ppm2 2.6424780
ASSI ( resid 22 and name HA )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 237 volume 5.22740 ppm1 5.0706964 ppm2 2.4709775
ASSI ( resid 32 and name HA )
( resid 17 and name HA )
6.0 0.1 0.1 peak 238 volume 26.75070 ppm1 4.5596199 ppm2 4.4549007
Contact the webmaster for help, if required. Wednesday, June 5, 2024 12:22:55 PM GMT (wattos1)