NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	538115	2lg6	17798	cing	1-original	1	XPLOR/CNS	distance	NOE	ambi

! derived from the 2D file(s):
! /home/meudal/GALLINACINES/Gall2/AvBD2-K31A-SS/Aria/avbd2-k31a-h2o-noes-020810.xpk
ASSI ( resid 9 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 0 weight 0.11000E+01 volume 1041.74573 ppm1 9.6574030 ppm2 5.5104899
  OR ( resid 9 and name HN )
     ( resid 30 and name HA )
  OR ( resid 31 and name HN )
     ( resid 8 and name HA )
  OR ( resid 31 and name HN )
     ( resid 30 and name HA )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 1 weight 0.11000E+01 volume 256.15790 ppm1 9.6579914 ppm2 4.8059058
  OR ( resid 9 and name HN )
     ( resid 31 and name HA )
  OR ( resid 9 and name HN )
     ( resid 19 and name HA )
  OR ( resid 9 and name HN )
     ( resid 29 and name HA )
  OR ( resid 31 and name HN )
     ( resid 9 and name HA )
  OR ( resid 31 and name HN )
     ( resid 31 and name HA )
  OR ( resid 31 and name HN )
     ( resid 19 and name HA )
  OR ( resid 31 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 9 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 2 weight 0.11000E+01 volume 26.34660 ppm1 9.6506739 ppm2 4.7166324
ASSI ( resid 9 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 3 weight 0.11000E+01 volume 29.16770 ppm1 9.6622448 ppm2 4.5356679
  OR ( resid 9 and name HN )
     ( resid 17 and name HA )
  OR ( resid 31 and name HN )
     ( resid 10 and name HA )
  OR ( resid 31 and name HN )
     ( resid 17 and name HA )
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 4 weight 0.11000E+01 volume 4.51850 ppm1 10.1517286 ppm2 4.7276120
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 5 weight 0.11000E+01 volume 4.46110 ppm1 10.1503963 ppm2 4.6757312
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HA )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 6 weight 0.11000E+01 volume 562.50018 ppm1 9.2007341 ppm2 4.7906413
ASSI ( resid 10 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 7 weight 0.11000E+01 volume 130.28439 ppm1 9.2007828 ppm2 4.5338793
ASSI ( resid 28 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 8 weight 0.11000E+01 volume 8.77250 ppm1 9.0738840 ppm2 5.0592837
ASSI ( resid 22 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 9 weight 0.11000E+01 volume 123.84200 ppm1 8.9351063 ppm2 5.0580449
ASSI ( resid 30 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 10 weight 0.11000E+01 volume 9.93650 ppm1 9.0157576 ppm2 4.9577122
ASSI ( resid 28 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 11 weight 0.11000E+01 volume 37.38450 ppm1 9.0752058 ppm2 4.8316650
ASSI ( resid 28 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 12 weight 0.11000E+01 volume 621.75519 ppm1 9.0738840 ppm2 4.7300935
ASSI ( resid 28 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 13 weight 0.11000E+01 volume 53.52490 ppm1 9.0748777 ppm2 4.5340905
ASSI ( resid 18 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 14 weight 0.11000E+01 volume 335.88599 ppm1 8.9391356 ppm2 4.5367403
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 15 weight 0.11000E+01 volume 640.44318 ppm1 8.9364939 ppm2 4.3531771
ASSI ( resid 30 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 16 weight 0.11000E+01 volume 9.37110 ppm1 9.0118380 ppm2 4.2160993
ASSI ( resid 18 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 17 weight 0.11000E+01 volume 27.60740 ppm1 8.9371538 ppm2 4.6909332
ASSI ( resid 30 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 18 weight 0.11000E+01 volume 606.28088 ppm1 9.0157576 ppm2 4.8255463
  OR ( resid 30 and name HN )
     ( resid 31 and name HA )
  OR ( resid 30 and name HN )
     ( resid 13 and name HA )
ASSI ( resid 18 and name HN )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 19 weight 0.11000E+01 volume 58.36680 ppm1 8.9399900 ppm2 4.8312387
ASSI ( resid 2 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 20 weight 0.11000E+01 volume 425.39401 ppm1 8.8885975 ppm2 4.8437452
ASSI ( resid 2 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 21 weight 0.11000E+01 volume 3.36610 ppm1 8.8892241 ppm2 4.9600668
ASSI ( resid 5 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 22 weight 0.11000E+01 volume 11.40100 ppm1 8.7769032 ppm2 4.2121735
ASSI ( resid 13 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 23 weight 0.11000E+01 volume 13.84750 ppm1 8.5874310 ppm2 4.3999987
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 24 weight 0.11000E+01 volume 372.25549 ppm1 8.9362555 ppm2 4.0518279
ASSI ( resid 2 and name HN )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 25 weight 0.11000E+01 volume 394.71750 ppm1 8.8882904 ppm2 3.9494915
ASSI ( resid 22 and name HN )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 26 weight 0.11000E+01 volume 164.38721 ppm1 8.9353790 ppm2 3.9069731
ASSI ( resid 30 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 27 weight 0.11000E+01 volume 10.36830 ppm1 9.0127506 ppm2 3.9038496
  OR ( resid 30 and name HN )
     ( resid 22 and name HB1 )
  OR ( resid 30 and name HN )
     ( resid 7 and name HB1 )
  OR ( resid 30 and name HN )
     ( resid 5 and name HA2 )
  OR ( resid 30 and name HN )
     ( resid 1 and name HA )
ASSI ( resid 28 and name HN )
     ( resid 12 and name HA2 )
     6.0 0.1 0.1 peak 28 weight 0.11000E+01 volume 6.06950 ppm1 9.0748081 ppm2 3.9612272
ASSI ( resid 30 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 29 weight 0.11000E+01 volume 40.68430 ppm1 9.0154867 ppm2 3.8060443
  OR ( resid 30 and name HN )
     ( resid 6 and name HA2 )
ASSI ( resid 22 and name HN )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 30 weight 0.11000E+01 volume 184.07091 ppm1 8.9356194 ppm2 3.7849729
ASSI ( resid 28 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 31 weight 0.11000E+01 volume 331.24411 ppm1 9.0750265 ppm2 3.6588585
  OR ( resid 28 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 30 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 32 weight 0.11000E+01 volume 19.42960 ppm1 9.0164070 ppm2 3.6668971
  OR ( resid 30 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 5 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 33 weight 0.11000E+01 volume 798.98138 ppm1 8.7736959 ppm2 4.0780578
  OR ( resid 5 and name HN )
     ( resid 21 and name HA2 )
  OR ( resid 20 and name HN )
     ( resid 4 and name HA )
  OR ( resid 20 and name HN )
     ( resid 21 and name HA2 )
ASSI ( resid 5 and name HN )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 34 weight 0.11000E+01 volume 293.34009 ppm1 8.7736807 ppm2 4.0128856
ASSI ( resid 9 and name HE1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 35 weight 0.11000E+01 volume 9.66770 ppm1 8.6485939 ppm2 3.9054284
ASSI ( resid 28 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 36 weight 0.11000E+01 volume 33.76620 ppm1 9.0749273 ppm2 5.5067286
ASSI ( resid 30 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 37 weight 0.11000E+01 volume 210.21300 ppm1 9.0124235 ppm2 5.5109053
  OR ( resid 30 and name HN )
     ( resid 8 and name HA )
ASSI ( resid 18 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 38 weight 0.11000E+01 volume 27.41430 ppm1 8.9360914 ppm2 5.5192580
ASSI ( resid 10 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 39 weight 0.11000E+01 volume 3.08950 ppm1 9.1993809 ppm2 5.5056849
ASSI ( resid 20 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 40 weight 0.11000E+01 volume 117.14000 ppm1 8.7534103 ppm2 5.5205750
ASSI ( resid 29 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 41 weight 0.11000E+01 volume 29.63420 ppm1 8.6691017 ppm2 5.5105686
  OR ( resid 29 and name HN )
     ( resid 8 and name HA )
ASSI ( resid 7 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 42 weight 0.11000E+01 volume 26.60280 ppm1 8.5591364 ppm2 5.5105686
  OR ( resid 7 and name HN )
     ( resid 30 and name HA )
ASSI ( resid 8 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 43 weight 0.11000E+01 volume 133.38840 ppm1 8.7041769 ppm2 5.5050111
ASSI ( resid 29 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 44 weight 0.11000E+01 volume 226.75980 ppm1 8.6694832 ppm2 5.0576739
ASSI ( resid 8 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 45 weight 0.11000E+01 volume 593.12079 ppm1 8.7026443 ppm2 4.9604068
ASSI ( resid 7 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 46 weight 0.11000E+01 volume 132.72231 ppm1 8.5595369 ppm2 4.9611497
ASSI ( resid 20 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 47 weight 0.11000E+01 volume 517.79932 ppm1 8.7590904 ppm2 4.8042822
  OR ( resid 20 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 29 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 167.61720 ppm1 8.6740103 ppm2 4.8123546
  OR ( resid 29 and name HN )
     ( resid 19 and name HA )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 49 weight 0.11000E+01 volume 383.26831 ppm1 8.7284861 ppm2 4.8020592
ASSI ( resid 11 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 50 weight 0.11000E+01 volume 128.32870 ppm1 8.5895758 ppm2 4.7291436
ASSI ( resid 20 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 51 weight 0.11000E+01 volume 132.18800 ppm1 8.7518244 ppm2 4.5803914
ASSI ( resid 19 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 52 weight 0.11000E+01 volume 798.74768 ppm1 8.7268724 ppm2 4.3831844
ASSI ( resid 11 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 53 weight 0.11000E+01 volume 626.82349 ppm1 8.5896502 ppm2 4.5338221
ASSI ( resid 4 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 54 weight 0.11000E+01 volume 392.61249 ppm1 8.5279179 ppm2 4.6075869
ASSI ( resid 13 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 55 weight 0.11000E+01 volume 181.42661 ppm1 8.5533428 ppm2 4.8330460
  OR ( resid 13 and name HN )
     ( resid 2 and name HA )
  OR ( resid 13 and name HN )
     ( resid 31 and name HA )
  OR ( resid 13 and name HN )
     ( resid 29 and name HA )
  OR ( resid 7 and name HN )
     ( resid 13 and name HA )
  OR ( resid 7 and name HN )
     ( resid 2 and name HA )
  OR ( resid 7 and name HN )
     ( resid 31 and name HA )
  OR ( resid 7 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 29 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 56 weight 0.11000E+01 volume 611.93372 ppm1 8.6706924 ppm2 4.7159367
ASSI ( resid 3 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 57 weight 0.11000E+01 volume 67.85480 ppm1 8.4279118 ppm2 4.9626408
ASSI ( resid 3 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 58 weight 0.11000E+01 volume 764.50128 ppm1 8.4363699 ppm2 4.8319569
  OR ( resid 3 and name HN )
     ( resid 31 and name HA )
  OR ( resid 32 and name HN )
     ( resid 2 and name HA )
  OR ( resid 32 and name HN )
     ( resid 31 and name HA )
ASSI ( resid 32 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 59 weight 0.11000E+01 volume 147.11771 ppm1 8.4444160 ppm2 4.6758342
ASSI ( resid 3 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 60 weight 0.11000E+01 volume 322.43320 ppm1 8.4278307 ppm2 4.6071005
ASSI ( resid 15 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 61 weight 0.11000E+01 volume 97.26680 ppm1 8.3470650 ppm2 4.8494711
ASSI ( resid 26 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 62 weight 0.11000E+01 volume 21.10890 ppm1 8.3157644 ppm2 4.7302208
  OR ( resid 25 and name HN )
     ( resid 27 and name HA )
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 63 weight 0.11000E+01 volume 7.71960 ppm1 8.5015526 ppm2 4.4460802
ASSI ( resid 13 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 64 weight 0.11000E+01 volume 6.16030 ppm1 8.5485144 ppm2 4.4344387
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 65 weight 0.11000E+01 volume 12.80930 ppm1 8.4952440 ppm2 4.3007793
ASSI ( resid 3 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 66 weight 0.11000E+01 volume 35.98630 ppm1 8.4409447 ppm2 4.2196217
  OR ( resid 32 and name HN )
     ( resid 6 and name HA1 )
ASSI ( resid 15 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 67 weight 0.11000E+01 volume 920.52911 ppm1 8.3448582 ppm2 4.4325547
  OR ( resid 16 and name HN )
     ( resid 14 and name HA )
ASSI ( resid 26 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 68 weight 0.11000E+01 volume 532.99048 ppm1 8.3173685 ppm2 4.4623199
  OR ( resid 25 and name HN )
     ( resid 26 and name HA )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 69 weight 0.11000E+01 volume 549.28650 ppm1 8.3449125 ppm2 4.3055272
  OR ( resid 15 and name HN )
     ( resid 16 and name HA )
ASSI ( resid 25 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 70 weight 0.11000E+01 volume 693.67133 ppm1 8.3073912 ppm2 4.2715025
  OR ( resid 26 and name HN )
     ( resid 24 and name HA )
ASSI ( resid 24 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 71 weight 0.11000E+01 volume 293.94699 ppm1 8.2367153 ppm2 4.2721815
ASSI ( resid 7 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 289.29568 ppm1 8.5604048 ppm2 4.2129002
ASSI ( resid 4 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 73 weight 0.11000E+01 volume 217.29390 ppm1 8.5280991 ppm2 4.0787058
ASSI ( resid 29 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 19.09920 ppm1 8.6721630 ppm2 4.0502920
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 157.73061 ppm1 8.7025280 ppm2 3.9045014
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 175.84650 ppm1 8.7026711 ppm2 3.7823570
ASSI ( resid 29 and name HN )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 24.52180 ppm1 8.6710405 ppm2 3.9103124
ASSI ( resid 9 and name HE1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 78 weight 0.11000E+01 volume 16.73760 ppm1 8.6465530 ppm2 3.7882175
ASSI ( resid 7 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 554.89148 ppm1 8.5597916 ppm2 3.8021727
  OR ( resid 7 and name HN )
     ( resid 7 and name HB2 )
ASSI ( resid 11 and name HN )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 306.24100 ppm1 8.5897465 ppm2 3.9900546
ASSI ( resid 13 and name HN )
     ( resid 12 and name HA1 )
     6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 876.22412 ppm1 8.5486012 ppm2 3.9454756
  OR ( resid 13 and name HN )
     ( resid 12 and name HA2 )
ASSI ( resid 32 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 48.40070 ppm1 8.4356556 ppm2 3.8878927
  OR ( resid 32 and name HN )
     ( resid 5 and name HA2 )
  OR ( resid 3 and name HN )
     ( resid 33 and name HD1 )
  OR ( resid 3 and name HN )
     ( resid 5 and name HA2 )
ASSI ( resid 3 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 46.27040 ppm1 8.4359541 ppm2 3.7992980
  OR ( resid 32 and name HN )
     ( resid 6 and name HA2 )
ASSI ( resid 5 and name HN )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 398.71729 ppm1 8.7729940 ppm2 3.8797522
ASSI ( resid 15 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 821.35468 ppm1 8.3452110 ppm2 3.9672000
  OR ( resid 15 and name HN )
     ( resid 12 and name HA1 )
  OR ( resid 16 and name HN )
     ( resid 15 and name HA )
  OR ( resid 16 and name HN )
     ( resid 12 and name HA1 )
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 642.19812 ppm1 8.3113089 ppm2 3.7571294
  OR ( resid 26 and name HN )
     ( resid 25 and name HA1 )
ASSI ( resid 15 and name HN )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 620.60461 ppm1 8.3449030 ppm2 3.6874127
  OR ( resid 15 and name HN )
     ( resid 15 and name HB1 )
  OR ( resid 16 and name HN )
     ( resid 15 and name HB2 )
  OR ( resid 16 and name HN )
     ( resid 15 and name HB1 )
ASSI ( resid 24 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 284.16080 ppm1 8.2373724 ppm2 4.8617091
ASSI ( resid 23 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 540.78070 ppm1 8.0150957 ppm2 5.0566678
ASSI ( resid 23 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 95.42330 ppm1 8.0140791 ppm2 4.8676391
ASSI ( resid 35 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 240.49899 ppm1 8.0479879 ppm2 4.7894063
ASSI ( resid 35 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 305.96960 ppm1 8.0493298 ppm2 4.7287235
ASSI ( resid 23 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 143.90230 ppm1 8.0144243 ppm2 4.7196860
  OR ( resid 23 and name HN )
     ( resid 28 and name HA )
ASSI ( resid 12 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 21.15290 ppm1 7.9987659 ppm2 4.5339131
ASSI ( resid 23 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 12.48410 ppm1 8.0157661 ppm2 4.4601712
ASSI ( resid 35 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 96 weight 0.11000E+01 volume 40.32910 ppm1 8.0505180 ppm2 4.2559223
ASSI ( resid 35 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 10.56320 ppm1 8.0506725 ppm2 4.1000614
ASSI ( resid 12 and name HN )
     ( resid 12 and name HA2 )
     6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 1054.48242 ppm1 7.9989848 ppm2 3.9580386
  OR ( resid 12 and name HN )
     ( resid 12 and name HA1 )
ASSI ( resid 23 and name HN )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 161.66949 ppm1 8.0136290 ppm2 3.7868187
ASSI ( resid 12 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 37.25310 ppm1 8.0004930 ppm2 3.6597481
  OR ( resid 12 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 21 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 19.65540 ppm1 7.5430188 ppm2 5.5175409
ASSI ( resid 21 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 9.84700 ppm1 7.5416765 ppm2 5.0591936
ASSI ( resid 6 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 5.08230 ppm1 7.6262565 ppm2 4.9623599
ASSI ( resid 36 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 219.96980 ppm1 7.6390109 ppm2 4.7906976
  OR ( resid 34 and name HE3 )
     ( resid 35 and name HA )
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 109.99640 ppm1 7.6289415 ppm2 4.7313061
  OR ( resid 36 and name HN )
     ( resid 34 and name HA )
ASSI ( resid 6 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 11.74320 ppm1 7.6225381 ppm2 4.6054664
ASSI ( resid 17 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 172.97890 ppm1 7.7121792 ppm2 4.5350561
ASSI ( resid 17 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 9.15180 ppm1 7.7135930 ppm2 4.4261684
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 51.49550 ppm1 7.5447264 ppm2 4.5381212
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 222.44170 ppm1 7.5459833 ppm2 4.6798744
ASSI ( resid 21 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 133.63960 ppm1 7.5441279 ppm2 4.5771923
ASSI ( resid 17 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 112 weight 0.11000E+01 volume 113.49690 ppm1 7.7131138 ppm2 4.3047767
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 113 weight 0.11000E+01 volume 171.42661 ppm1 7.5422134 ppm2 4.3444200
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 114 weight 0.11000E+01 volume 235.42900 ppm1 7.6245222 ppm2 4.2170820
ASSI ( resid 36 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 115 weight 0.11000E+01 volume 169.67619 ppm1 7.6393437 ppm2 4.0952787
ASSI ( resid 6 and name HN )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 116 weight 0.11000E+01 volume 125.02220 ppm1 7.6224012 ppm2 4.0145121
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 117 weight 0.11000E+01 volume 204.36951 ppm1 7.5442710 ppm2 4.0524859
ASSI ( resid 17 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 118 weight 0.11000E+01 volume 63.00380 ppm1 7.7108312 ppm2 3.9657605
ASSI ( resid 17 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 119 weight 0.11000E+01 volume 5.06470 ppm1 7.7114706 ppm2 3.8796508
ASSI ( resid 17 and name HN )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 120 weight 0.11000E+01 volume 22.22430 ppm1 7.7132587 ppm2 3.6862526
  OR ( resid 17 and name HN )
     ( resid 15 and name HB1 )
ASSI ( resid 6 and name HN )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 121 weight 0.11000E+01 volume 165.80750 ppm1 7.6226826 ppm2 3.8870366
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 122 weight 0.11000E+01 volume 246.91251 ppm1 7.6232324 ppm2 3.8069570
ASSI ( resid 32 and name HE3 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 123 weight 0.11000E+01 volume 122.50030 ppm1 7.5458875 ppm2 3.8810043
ASSI ( resid 21 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 124 weight 0.11000E+01 volume 14.82380 ppm1 7.5444598 ppm2 3.6624036
  OR ( resid 21 and name HN )
     ( resid 28 and name HB2 )
ASSI ( resid 17 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 125 weight 0.11000E+01 volume 43.40680 ppm1 7.7120986 ppm2 3.4841423
ASSI ( resid 17 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 126 weight 0.11000E+01 volume 32.62450 ppm1 7.7120504 ppm2 3.2695587
ASSI ( resid 17 and name HN )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 127 weight 0.11000E+01 volume 3.92060 ppm1 7.7097883 ppm2 3.1187472
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 128 weight 0.11000E+01 volume 440.74100 ppm1 7.6270432 ppm2 3.3201625
  OR ( resid 34 and name HE3 )
     ( resid 34 and name HB1 )
  OR ( resid 36 and name HN )
     ( resid 34 and name HB2 )
  OR ( resid 36 and name HN )
     ( resid 34 and name HB1 )
  OR ( resid 35 and name HD21 )
     ( resid 34 and name HB2 )
  OR ( resid 35 and name HD21 )
     ( resid 34 and name HB1 )
ASSI ( resid 32 and name HE3 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 129 weight 0.11000E+01 volume 10.33970 ppm1 7.5468850 ppm2 3.4830983
ASSI ( resid 32 and name HE3 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 130 weight 0.11000E+01 volume 182.07990 ppm1 7.5460267 ppm2 3.3802164
  OR ( resid 32 and name HE3 )
     ( resid 3 and name HB1 )
  OR ( resid 21 and name HN )
     ( resid 33 and name HD2 )
  OR ( resid 21 and name HN )
     ( resid 3 and name HB1 )
ASSI ( resid 32 and name HE3 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 131 weight 0.11000E+01 volume 29.40930 ppm1 7.5489321 ppm2 3.2710228
ASSI ( resid 32 and name HZ2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 132 weight 0.11000E+01 volume 4.64850 ppm1 7.4968677 ppm2 3.4887455
ASSI ( resid 32 and name HZ2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 133 weight 0.11000E+01 volume 23.25790 ppm1 7.4998832 ppm2 3.2898886
ASSI ( resid 17 and name HN )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 134 weight 0.11000E+01 volume 13.71970 ppm1 7.7116680 ppm2 2.8723083
ASSI ( resid 6 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 135 weight 0.11000E+01 volume 5.91550 ppm1 7.6222596 ppm2 2.8455577
ASSI ( resid 21 and name HN )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 136 weight 0.11000E+01 volume 51.20870 ppm1 7.5439539 ppm2 2.9162998
  OR ( resid 21 and name HN )
     ( resid 19 and name HE1 )
ASSI ( resid 2 and name HE1 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 137 weight 0.11000E+01 volume 13.70410 ppm1 7.3979220 ppm2 4.9596767
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 138 weight 0.11000E+01 volume 51.48910 ppm1 7.3559217 ppm2 4.9635839
ASSI ( resid 2 and name HD1 )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 139 weight 0.11000E+01 volume 144.35899 ppm1 7.3564534 ppm2 4.8268375
  OR ( resid 2 and name HD2 )
     ( resid 2 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 140 weight 0.11000E+01 volume 14.48360 ppm1 7.2995672 ppm2 4.7936277
  OR ( resid 34 and name HN )
     ( resid 9 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 35 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 9 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 141 weight 0.11000E+01 volume 232.60741 ppm1 7.3013744 ppm2 4.7318382
  OR ( resid 34 and name HN )
     ( resid 27 and name HA )
  OR ( resid 26 and name HE2 )
     ( resid 34 and name HA )
  OR ( resid 26 and name HE2 )
     ( resid 27 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 34 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 27 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 142 weight 0.11000E+01 volume 5.02360 ppm1 7.2997766 ppm2 4.6678615
ASSI ( resid 2 and name HD1 )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 143 weight 0.11000E+01 volume 28.27140 ppm1 7.3547134 ppm2 4.6060224
  OR ( resid 2 and name HD2 )
     ( resid 3 and name HA )
ASSI ( resid 2 and name HE1 )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 144 weight 0.11000E+01 volume 7.06100 ppm1 7.3996620 ppm2 4.6023850
  OR ( resid 2 and name HZ )
     ( resid 3 and name HA )
  OR ( resid 2 and name HE2 )
     ( resid 3 and name HA )
ASSI ( resid 10 and name HE1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 145 weight 0.11000E+01 volume 29.43790 ppm1 7.4478097 ppm2 4.5338297
ASSI ( resid 10 and name HZ )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 146 weight 0.11000E+01 volume 21.96760 ppm1 7.3686976 ppm2 4.4632473
ASSI ( resid 10 and name HD1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 147 weight 0.11000E+01 volume 237.47490 ppm1 7.2992773 ppm2 4.5341802
  OR ( resid 10 and name HD1 )
     ( resid 17 and name HA )
  OR ( resid 10 and name HD2 )
     ( resid 10 and name HA )
  OR ( resid 10 and name HD2 )
     ( resid 17 and name HA )
  OR ( resid 34 and name HN )
     ( resid 10 and name HA )
  OR ( resid 34 and name HN )
     ( resid 17 and name HA )
ASSI ( resid 26 and name HE1 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 148 weight 0.11000E+01 volume 29.13930 ppm1 7.3534493 ppm2 4.2694497
ASSI ( resid 21 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 149 weight 0.11000E+01 volume 404.59250 ppm1 7.5439925 ppm2 4.8053699
  OR ( resid 21 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 150 weight 0.11000E+01 volume 360.27731 ppm1 7.3006043 ppm2 4.2548337
ASSI ( resid 2 and name HE1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 151 weight 0.11000E+01 volume 20.76760 ppm1 7.4015751 ppm2 4.0773215
  OR ( resid 2 and name HE2 )
     ( resid 4 and name HA )
  OR ( resid 2 and name HZ )
     ( resid 4 and name HA )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 152 weight 0.11000E+01 volume 33.16340 ppm1 7.3603659 ppm2 4.0786176
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HA )
ASSI ( resid 2 and name HD1 )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 153 weight 0.11000E+01 volume 28.00770 ppm1 7.3589993 ppm2 3.9562426
ASSI ( resid 10 and name HE1 )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 154 weight 0.11000E+01 volume 13.09250 ppm1 7.4505711 ppm2 3.9806614
ASSI ( resid 10 and name HD1 )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 155 weight 0.11000E+01 volume 31.89690 ppm1 7.3010654 ppm2 3.9873977
ASSI ( resid 2 and name HD1 )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 156 weight 0.11000E+01 volume 13.47420 ppm1 7.3589993 ppm2 4.0092907
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 157 weight 0.11000E+01 volume 18.28990 ppm1 7.4006219 ppm2 3.9090571
  OR ( resid 2 and name HE1 )
     ( resid 7 and name HB1 )
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 158 weight 0.11000E+01 volume 58.75010 ppm1 7.3605132 ppm2 3.8980072
ASSI ( resid 34 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 159 weight 0.11000E+01 volume 20.84250 ppm1 7.3004856 ppm2 3.8832884
ASSI ( resid 2 and name HZ )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 160 weight 0.11000E+01 volume 6.78190 ppm1 7.4007535 ppm2 3.7919040
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 161 weight 0.11000E+01 volume 40.75900 ppm1 7.3596435 ppm2 3.7778211
ASSI ( resid 10 and name HE1 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 162 weight 0.11000E+01 volume 10.47590 ppm1 7.4430227 ppm2 3.6590908
  OR ( resid 10 and name HE1 )
     ( resid 28 and name HB2 )
ASSI ( resid 10 and name HE1 )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 163 weight 0.11000E+01 volume 8.52310 ppm1 7.4492450 ppm2 3.4363484
ASSI ( resid 10 and name HE1 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 164 weight 0.11000E+01 volume 39.11200 ppm1 7.4484878 ppm2 3.3405588
ASSI ( resid 10 and name HE1 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 165 weight 0.11000E+01 volume 40.90170 ppm1 7.4493423 ppm2 3.2133238
ASSI ( resid 10 and name HE2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 166 weight 0.11000E+01 volume 26.76980 ppm1 7.4495158 ppm2 3.1277657
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HB1 )
ASSI ( resid 10 and name HE2 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 167 weight 0.11000E+01 volume 24.80140 ppm1 7.4498463 ppm2 3.0268846
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HB2 )
ASSI ( resid 2 and name HE1 )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 168 weight 0.11000E+01 volume 44.46520 ppm1 7.4016757 ppm2 3.0911372
  OR ( resid 2 and name HE2 )
     ( resid 2 and name HB2 )
ASSI ( resid 2 and name HE2 )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 169 weight 0.11000E+01 volume 44.44490 ppm1 7.3990817 ppm2 3.2408733
ASSI ( resid 26 and name HE1 )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 170 weight 0.11000E+01 volume 31.56050 ppm1 7.3642511 ppm2 3.4011738
ASSI ( resid 26 and name HE1 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 171 weight 0.11000E+01 volume 56.66830 ppm1 7.3679328 ppm2 3.3424795
  OR ( resid 10 and name HZ )
     ( resid 26 and name HB1 )
ASSI ( resid 10 and name HD1 )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 172 weight 0.11000E+01 volume 33.55440 ppm1 7.3036432 ppm2 3.4333956
ASSI ( resid 34 and name HN )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 173 weight 0.11000E+01 volume 359.75211 ppm1 7.3007183 ppm2 3.3206208
  OR ( resid 34 and name HN )
     ( resid 34 and name HB2 )
  OR ( resid 34 and name HN )
     ( resid 9 and name HB1 )
  OR ( resid 10 and name HD1 )
     ( resid 34 and name HB1 )
  OR ( resid 10 and name HD1 )
     ( resid 34 and name HB2 )
  OR ( resid 10 and name HD1 )
     ( resid 9 and name HB1 )
ASSI ( resid 2 and name HD2 )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 174 weight 0.11000E+01 volume 293.48819 ppm1 7.3586926 ppm2 3.2382236
  OR ( resid 2 and name HD1 )
     ( resid 2 and name HB1 )
ASSI ( resid 10 and name HD1 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 175 weight 0.11000E+01 volume 17.20020 ppm1 7.3038902 ppm2 3.2155111
ASSI ( resid 10 and name HD2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 176 weight 0.11000E+01 volume 289.12289 ppm1 7.2996855 ppm2 3.1315100
  OR ( resid 10 and name HD1 )
     ( resid 10 and name HB1 )
ASSI ( resid 2 and name HD1 )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 177 weight 0.11000E+01 volume 325.70432 ppm1 7.3568401 ppm2 3.0917997
  OR ( resid 2 and name HD1 )
     ( resid 24 and name HB1 )
  OR ( resid 2 and name HD2 )
     ( resid 2 and name HB2 )
  OR ( resid 2 and name HD2 )
     ( resid 24 and name HB1 )
  OR ( resid 26 and name HE1 )
     ( resid 2 and name HB2 )
  OR ( resid 26 and name HE1 )
     ( resid 24 and name HB1 )
ASSI ( resid 2 and name HD2 )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 178 weight 0.11000E+01 volume 41.74670 ppm1 7.3551264 ppm2 2.9944770
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HE2 )
  OR ( resid 2 and name HD2 )
     ( resid 24 and name HB2 )
  OR ( resid 26 and name HE1 )
     ( resid 4 and name HE1 )
  OR ( resid 26 and name HE1 )
     ( resid 4 and name HE2 )
  OR ( resid 26 and name HE1 )
     ( resid 24 and name HB2 )
ASSI ( resid 10 and name HD2 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 179 weight 0.11000E+01 volume 286.23431 ppm1 7.2996206 ppm2 3.0196879
  OR ( resid 10 and name HD1 )
     ( resid 10 and name HB2 )
ASSI ( resid 2 and name HE2 )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 180 weight 0.11000E+01 volume 2.99660 ppm1 7.4013052 ppm2 2.9970765
  OR ( resid 2 and name HE2 )
     ( resid 4 and name HE2 )
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 181 weight 0.11000E+01 volume 27.08020 ppm1 7.4486356 ppm2 2.7787154
  OR ( resid 10 and name HE2 )
     ( resid 27 and name HD2 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HD1 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HD2 )
ASSI ( resid 2 and name HD1 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 182 weight 0.11000E+01 volume 27.05570 ppm1 7.3548584 ppm2 2.8295343
  OR ( resid 2 and name HD2 )
     ( resid 3 and name HB2 )
ASSI ( resid 26 and name HE1 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 183 weight 0.11000E+01 volume 20.16370 ppm1 7.3594446 ppm2 2.7722762
  OR ( resid 26 and name HE1 )
     ( resid 27 and name HD2 )
ASSI ( resid 9 and name HD2 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 184 weight 0.11000E+01 volume 82.96420 ppm1 7.1062164 ppm2 5.5065985
  OR ( resid 9 and name HD2 )
     ( resid 30 and name HA )
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 185 weight 0.11000E+01 volume 11.15310 ppm1 7.1072340 ppm2 4.9595308
ASSI ( resid 32 and name HD1 )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 186 weight 0.11000E+01 volume 32.58830 ppm1 7.2060456 ppm2 4.8295994
ASSI ( resid 9 and name HD2 )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 187 weight 0.11000E+01 volume 144.57550 ppm1 7.1063533 ppm2 4.8026543
  OR ( resid 9 and name HD2 )
     ( resid 29 and name HA )
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 188 weight 0.11000E+01 volume 70.41900 ppm1 7.2039471 ppm2 4.6746254
ASSI ( resid 27 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 189 weight 0.11000E+01 volume 196.70360 ppm1 7.1689053 ppm2 4.7319236
  OR ( resid 27 and name HN )
     ( resid 34 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 27 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 34 and name HA )
ASSI ( resid 32 and name HZ3 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 190 weight 0.11000E+01 volume 26.87750 ppm1 7.1213694 ppm2 4.6758423
ASSI ( resid 27 and name HE )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 191 weight 0.11000E+01 volume 7.44980 ppm1 6.9871140 ppm2 4.7293978
ASSI ( resid 26 and name HD1 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 192 weight 0.11000E+01 volume 211.69220 ppm1 7.2295022 ppm2 4.4622483
ASSI ( resid 27 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 193 weight 0.11000E+01 volume 200.94730 ppm1 7.1718807 ppm2 4.4625130
ASSI ( resid 9 and name HD2 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 194 weight 0.11000E+01 volume 10.25680 ppm1 7.0975571 ppm2 4.5355053
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HA )
  OR ( resid 16 and name HD2 )
     ( resid 10 and name HA )
  OR ( resid 16 and name HD2 )
     ( resid 17 and name HA )
ASSI ( resid 27 and name HE )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 195 weight 0.11000E+01 volume 6.50040 ppm1 6.9885802 ppm2 4.5371895
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 196 weight 0.11000E+01 volume 34.31720 ppm1 7.0970235 ppm2 4.3055258
ASSI ( resid 27 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 197 weight 0.11000E+01 volume 18.39700 ppm1 7.1664734 ppm2 4.2600765
  OR ( resid 27 and name HN )
     ( resid 33 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 24 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 33 and name HA )
  OR ( resid 34 and name HH2 )
     ( resid 24 and name HA )
  OR ( resid 34 and name HH2 )
     ( resid 33 and name HA )
ASSI ( resid 24 and name HD1 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 198 weight 0.11000E+01 volume 174.64400 ppm1 7.2120786 ppm2 4.2709599
  OR ( resid 24 and name HD2 )
     ( resid 24 and name HA )
ASSI ( resid 34 and name HH2 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 199 weight 0.11000E+01 volume 6.84630 ppm1 7.1673818 ppm2 4.0962296
ASSI ( resid 32 and name HD1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 200 weight 0.11000E+01 volume 34.18040 ppm1 7.2045217 ppm2 3.8879340
  OR ( resid 32 and name HD1 )
     ( resid 5 and name HA2 )
ASSI ( resid 34 and name HD1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 201 weight 0.11000E+01 volume 18.27310 ppm1 7.1660624 ppm2 3.8903220
  OR ( resid 34 and name HD1 )
     ( resid 5 and name HA2 )
  OR ( resid 34 and name HH2 )
     ( resid 33 and name HD1 )
  OR ( resid 34 and name HH2 )
     ( resid 5 and name HA2 )
ASSI ( resid 32 and name HZ3 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 202 weight 0.11000E+01 volume 18.98390 ppm1 7.1213846 ppm2 3.8825924
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 203 weight 0.11000E+01 volume 14.99370 ppm1 7.0978284 ppm2 3.9664443
ASSI ( resid 34 and name HZ2 )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 204 weight 0.11000E+01 volume 4.83370 ppm1 7.0552673 ppm2 3.8841643
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 205 weight 0.11000E+01 volume 30.82350 ppm1 7.1074653 ppm2 3.7892952
ASSI ( resid 27 and name HN )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 206 weight 0.11000E+01 volume 29.21460 ppm1 7.1681314 ppm2 3.7704351
  OR ( resid 27 and name HN )
     ( resid 22 and name HB2 )
ASSI ( resid 26 and name HD1 )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 207 weight 0.11000E+01 volume 79.67070 ppm1 7.2162113 ppm2 3.7586451
  OR ( resid 24 and name HD2 )
     ( resid 25 and name HA1 )
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 208 weight 0.11000E+01 volume 32.94410 ppm1 7.1071987 ppm2 3.9005980
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 209 weight 0.11000E+01 volume 60.89920 ppm1 7.0978956 ppm2 3.6827500
  OR ( resid 16 and name HD2 )
     ( resid 15 and name HB1 )
ASSI ( resid 32 and name HH2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 210 weight 0.11000E+01 volume 14.57740 ppm1 7.2158246 ppm2 3.4829297
ASSI ( resid 26 and name HD1 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 211 weight 0.11000E+01 volume 244.91740 ppm1 7.2283106 ppm2 3.3432195
ASSI ( resid 26 and name HD1 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 212 weight 0.11000E+01 volume 316.50839 ppm1 7.2295885 ppm2 3.2115705
ASSI ( resid 27 and name HN )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 213 weight 0.11000E+01 volume 23.53840 ppm1 7.1727290 ppm2 3.3993776
ASSI ( resid 34 and name HD1 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 214 weight 0.11000E+01 volume 320.73920 ppm1 7.1652374 ppm2 3.3159266
  OR ( resid 34 and name HD1 )
     ( resid 34 and name HB2 )
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 215 weight 0.11000E+01 volume 74.46030 ppm1 7.0982180 ppm2 3.2750149
ASSI ( resid 9 and name HD2 )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 84.19380 ppm1 7.1060996 ppm2 3.3122962
  OR ( resid 9 and name HD2 )
     ( resid 34 and name HB2 )
  OR ( resid 34 and name HZ3 )
     ( resid 9 and name HB1 )
  OR ( resid 34 and name HZ3 )
     ( resid 34 and name HB2 )
ASSI ( resid 32 and name HZ3 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 217 weight 0.11000E+01 volume 82.58110 ppm1 7.1187587 ppm2 3.3777430
  OR ( resid 32 and name HZ3 )
     ( resid 3 and name HB1 )
  OR ( resid 9 and name HD2 )
     ( resid 33 and name HD2 )
  OR ( resid 9 and name HD2 )
     ( resid 3 and name HB1 )
ASSI ( resid 32 and name HZ3 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 50.03610 ppm1 7.1283407 ppm2 3.4813766
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 116.14580 ppm1 7.0969839 ppm2 3.4812548
ASSI ( resid 34 and name HZ2 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 220 weight 0.11000E+01 volume 13.40330 ppm1 7.0592628 ppm2 3.3801851
ASSI ( resid 34 and name HZ2 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 15.43640 ppm1 7.0586071 ppm2 3.3125339
  OR ( resid 34 and name HZ2 )
     ( resid 34 and name HB1 )
ASSI ( resid 32 and name HZ3 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 65.78350 ppm1 7.1281166 ppm2 3.2700934
ASSI ( resid 9 and name HD2 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 223 weight 0.11000E+01 volume 50.18780 ppm1 7.1065364 ppm2 3.1225181
ASSI ( resid 24 and name HD2 )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 295.55731 ppm1 7.2108145 ppm2 3.0847154
  OR ( resid 24 and name HD1 )
     ( resid 24 and name HB1 )
  OR ( resid 26 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 225 weight 0.11000E+01 volume 305.53909 ppm1 7.2093320 ppm2 2.9868038
  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 226 weight 0.11000E+01 volume 148.48950 ppm1 7.1073737 ppm2 2.9952016
ASSI ( resid 9 and name HD2 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 41.50180 ppm1 7.1060419 ppm2 2.8720291
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 55.97950 ppm1 7.3005981 ppm2 2.7777774
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 229 weight 0.11000E+01 volume 33.56760 ppm1 7.2999043 ppm2 2.6406484
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 47.67530 ppm1 7.3004107 ppm2 2.5815711
ASSI ( resid 24 and name HD2 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 16.31880 ppm1 7.2109914 ppm2 2.7913172
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 190.73030 ppm1 7.2040267 ppm2 2.6468358
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 128.20480 ppm1 7.2044902 ppm2 2.5857477
ASSI ( resid 27 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 28.18320 ppm1 7.1757579 ppm2 2.7875562
  OR ( resid 27 and name HN )
     ( resid 27 and name HD1 )
ASSI ( resid 34 and name HD1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 49.46720 ppm1 7.1651425 ppm2 2.6449502
ASSI ( resid 34 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 53.71660 ppm1 7.1656528 ppm2 2.5859201
  OR ( resid 34 and name HH2 )
     ( resid 32 and name HB2 )
ASSI ( resid 9 and name HD2 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 55.01890 ppm1 7.1086898 ppm2 2.5399535
ASSI ( resid 34 and name HZ2 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 13.97980 ppm1 7.0537009 ppm2 2.6398582
ASSI ( resid 34 and name HZ2 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 21.36710 ppm1 7.0532374 ppm2 2.5865204
ASSI ( resid 27 and name HE )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 354.43759 ppm1 6.9873934 ppm2 2.7850301
  OR ( resid 27 and name HE )
     ( resid 27 and name HD1 )
ASSI ( resid 9 and name HD2 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 382.21109 ppm1 7.1063781 ppm2 2.6376145
  OR ( resid 9 and name HD2 )
     ( resid 30 and name HB1 )
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 12.00730 ppm1 6.9256120 ppm2 4.7891374
ASSI ( resid 27 and name HE )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 19.32240 ppm1 6.9882097 ppm2 3.7528296
ASSI ( resid 27 and name HE )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 7.60340 ppm1 6.9856100 ppm2 3.3929563
ASSI ( resid 27 and name HE )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 40.71360 ppm1 6.9868617 ppm2 3.1812358
  OR ( resid 27 and name HE )
     ( resid 23 and name HB1 )
ASSI ( resid 27 and name HE )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 23.28520 ppm1 6.9869418 ppm2 3.0129068
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 34.93360 ppm1 6.9259706 ppm2 2.7268221
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 57.57420 ppm1 6.9260712 ppm2 2.5843453
ASSI ( resid 27 and name HE )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 21.26610 ppm1 6.9855299 ppm2 2.5204439
ASSI ( resid 34 and name HE1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 6.97850 ppm1 10.1540318 ppm2 3.8847034
  OR ( resid 34 and name HE1 )
     ( resid 5 and name HA2 )
  OR ( resid 32 and name HE1 )
     ( resid 33 and name HD1 )
  OR ( resid 32 and name HE1 )
     ( resid 5 and name HA2 )
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 28.04840 ppm1 10.1498480 ppm2 3.3177440
ASSI ( resid 9 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 40.87060 ppm1 9.6465998 ppm2 3.6584091
  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 253 weight 0.11000E+01 volume 103.02300 ppm1 9.6490679 ppm2 3.3157918
ASSI ( resid 9 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 5.51100 ppm1 9.6533537 ppm2 3.7921245
ASSI ( resid 9 and name HN )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 16.64310 ppm1 9.6484232 ppm2 3.1716356
  OR ( resid 9 and name HN )
     ( resid 23 and name HB2 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 161.64580 ppm1 9.6463747 ppm2 2.9982336
ASSI ( resid 9 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 51.19630 ppm1 9.6472330 ppm2 2.8723695
ASSI ( resid 9 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 17.87200 ppm1 9.6490946 ppm2 2.7828970
ASSI ( resid 31 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 111.75510 ppm1 9.6678448 ppm2 2.6281776
  OR ( resid 31 and name HN )
     ( resid 30 and name HB1 )
ASSI ( resid 9 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 107.31550 ppm1 9.6531534 ppm2 2.5133266
  OR ( resid 9 and name HN )
     ( resid 13 and name HB1 )
  OR ( resid 31 and name HN )
     ( resid 8 and name HB2 )
  OR ( resid 31 and name HN )
     ( resid 13 and name HB1 )
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 15.79720 ppm1 10.1501932 ppm2 2.6456673
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 262 weight 0.11000E+01 volume 14.77110 ppm1 10.1509018 ppm2 2.5845499
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HB2 )
ASSI ( resid 34 and name HE1 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 263 weight 0.11000E+01 volume 3.79910 ppm1 10.1486139 ppm2 1.8914292
ASSI ( resid 34 and name HE1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 264 weight 0.11000E+01 volume 3.99190 ppm1 10.1492481 ppm2 1.3939228
ASSI ( resid 34 and name HE1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 265 weight 0.11000E+01 volume 3.73540 ppm1 10.1514435 ppm2 1.3004377
ASSI ( resid 31 and name HN )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 266 weight 0.11000E+01 volume 30.57950 ppm1 9.6693211 ppm2 1.6904002
ASSI ( resid 9 and name HN )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 267 weight 0.11000E+01 volume 14.25840 ppm1 9.6470785 ppm2 1.6185718
  OR ( resid 9 and name HN )
     ( resid 27 and name HG1 )
ASSI ( resid 9 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 268 weight 0.11000E+01 volume 101.02120 ppm1 9.6496382 ppm2 1.5201387
  OR ( resid 9 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 31 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 269 weight 0.11000E+01 volume 280.87970 ppm1 9.6705389 ppm2 1.3890511
ASSI ( resid 31 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 270 weight 0.11000E+01 volume 21.29450 ppm1 9.6735249 ppm2 1.3219466
ASSI ( resid 31 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 271 weight 0.11000E+01 volume 61.11200 ppm1 9.6661253 ppm2 1.1401381
ASSI ( resid 31 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 272 weight 0.11000E+01 volume 15.83370 ppm1 9.6737461 ppm2 0.9928609
ASSI ( resid 31 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 273 weight 0.11000E+01 volume 54.77520 ppm1 9.6677179 ppm2 0.8683915
  OR ( resid 31 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 31 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 31 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 274 weight 0.11000E+01 volume 16.07770 ppm1 9.6736050 ppm2 0.8064888
ASSI ( resid 31 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 275 weight 0.11000E+01 volume 55.61630 ppm1 9.6697292 ppm2 0.5723097
  OR ( resid 31 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 31 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 31 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 276 weight 0.11000E+01 volume 11.74930 ppm1 9.6669321 ppm2 0.3521259
  OR ( resid 31 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 31 and name HN )
     ( resid 17 and name HD12 )
ASSI ( resid 31 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 277 weight 0.11000E+01 volume 14.92340 ppm1 9.6684046 ppm2 0.0959674
  OR ( resid 31 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 31 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 32 and name HE1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 278 weight 0.11000E+01 volume 5.71280 ppm1 10.1507845 ppm2 0.3518873
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD13 )
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD12 )
ASSI ( resid 32 and name HE1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 279 weight 0.11000E+01 volume 13.85840 ppm1 10.1508598 ppm2 0.0997219
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD23 )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 280 weight 0.11000E+01 volume 107.83390 ppm1 9.1987286 ppm2 3.3133903
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 281 weight 0.11000E+01 volume 235.92200 ppm1 9.2027769 ppm2 3.1285009
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 282 weight 0.11000E+01 volume 373.45639 ppm1 9.2027769 ppm2 3.0201821
ASSI ( resid 28 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 283 weight 0.11000E+01 volume 16.08200 ppm1 9.0725212 ppm2 3.3201437
ASSI ( resid 28 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 284 weight 0.11000E+01 volume 20.41090 ppm1 9.0736856 ppm2 3.1882238
  OR ( resid 28 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 28 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 285 weight 0.11000E+01 volume 24.57360 ppm1 9.0746365 ppm2 3.0014327
ASSI ( resid 18 and name HN )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 286 weight 0.11000E+01 volume 8.53320 ppm1 8.9355326 ppm2 3.3829074
ASSI ( resid 2 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 287 weight 0.11000E+01 volume 102.03130 ppm1 8.8879461 ppm2 3.2408459
ASSI ( resid 2 and name HN )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 288 weight 0.11000E+01 volume 176.31990 ppm1 8.8878269 ppm2 3.0923460
ASSI ( resid 30 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 289 weight 0.11000E+01 volume 10.42080 ppm1 9.0136900 ppm2 2.8621941
  OR ( resid 30 and name HN )
     ( resid 3 and name HB2 )
ASSI ( resid 28 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 290 weight 0.11000E+01 volume 24.83460 ppm1 9.0733795 ppm2 2.7833796
  OR ( resid 28 and name HN )
     ( resid 27 and name HD1 )
ASSI ( resid 10 and name HN )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 291 weight 0.11000E+01 volume 21.26460 ppm1 9.2002993 ppm2 2.7833796
  OR ( resid 10 and name HN )
     ( resid 27 and name HD2 )
ASSI ( resid 30 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 292 weight 0.11000E+01 volume 332.50061 ppm1 9.0155754 ppm2 2.6360464
  OR ( resid 30 and name HN )
     ( resid 30 and name HB1 )
ASSI ( resid 28 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 293 weight 0.11000E+01 volume 16.38150 ppm1 9.0744438 ppm2 2.5146251
ASSI ( resid 30 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 294 weight 0.11000E+01 volume 11.29920 ppm1 9.0130463 ppm2 2.5345645
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 295 weight 0.11000E+01 volume 44.09420 ppm1 9.0134964 ppm2 2.4713447
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 296 weight 0.11000E+01 volume 39.78440 ppm1 9.0129328 ppm2 2.4171176
ASSI ( resid 18 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 297 weight 0.11000E+01 volume 35.57120 ppm1 8.9408293 ppm2 2.6257656
  OR ( resid 18 and name HN )
     ( resid 30 and name HB2 )
ASSI ( resid 18 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 298 weight 0.11000E+01 volume 19.37470 ppm1 8.9384680 ppm2 2.5406823
ASSI ( resid 22 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 299 weight 0.11000E+01 volume 28.27570 ppm1 8.9372826 ppm2 2.4697526
ASSI ( resid 22 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 300 weight 0.11000E+01 volume 23.35840 ppm1 8.9373531 ppm2 2.4033184
ASSI ( resid 10 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 301 weight 0.11000E+01 volume 13.76070 ppm1 9.2002239 ppm2 1.6205878
ASSI ( resid 10 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 302 weight 0.11000E+01 volume 13.85090 ppm1 9.1996498 ppm2 1.5076655
ASSI ( resid 28 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 303 weight 0.11000E+01 volume 43.42860 ppm1 9.0749550 ppm2 1.6182971
ASSI ( resid 28 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 304 weight 0.11000E+01 volume 288.04941 ppm1 9.0761080 ppm2 1.5052629
  OR ( resid 28 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 18 and name HN )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 305 weight 0.11000E+01 volume 11.52750 ppm1 8.9338207 ppm2 1.9015805
ASSI ( resid 18 and name HN )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 306 weight 0.11000E+01 volume 135.45340 ppm1 8.9385262 ppm2 1.6888409
  OR ( resid 18 and name HN )
     ( resid 19 and name HB2 )
  OR ( resid 22 and name HN )
     ( resid 18 and name HB )
  OR ( resid 22 and name HN )
     ( resid 19 and name HB2 )
ASSI ( resid 2 and name HN )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 307 weight 0.11000E+01 volume 113.43940 ppm1 8.8876057 ppm2 1.6229529
  OR ( resid 2 and name HN )
     ( resid 1 and name HB1 )
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 308 weight 0.11000E+01 volume 72.37880 ppm1 8.7744961 ppm2 1.8240229
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 309 weight 0.11000E+01 volume 102.16700 ppm1 8.7735481 ppm2 1.7514745
  OR ( resid 5 and name HN )
     ( resid 4 and name HD1 )
  OR ( resid 5 and name HN )
     ( resid 4 and name HD2 )
ASSI ( resid 5 and name HN )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 310 weight 0.11000E+01 volume 35.64210 ppm1 8.7732229 ppm2 1.4505275
ASSI ( resid 20 and name HN )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 311 weight 0.11000E+01 volume 126.92920 ppm1 8.7688856 ppm2 1.3676072
  OR ( resid 20 and name HN )
     ( resid 19 and name HG2 )
  OR ( resid 20 and name HN )
     ( resid 4 and name HG2 )
  OR ( resid 5 and name HN )
     ( resid 19 and name HG1 )
  OR ( resid 5 and name HN )
     ( resid 19 and name HG2 )
  OR ( resid 5 and name HN )
     ( resid 4 and name HG2 )
ASSI ( resid 30 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 312 weight 0.11000E+01 volume 9.80810 ppm1 9.0049801 ppm2 1.3334545
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 313 weight 0.11000E+01 volume 188.65460 ppm1 8.9375238 ppm2 1.3647566
ASSI ( resid 30 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 314 weight 0.11000E+01 volume 23.51600 ppm1 9.0113602 ppm2 1.3812482
ASSI ( resid 10 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 315 weight 0.11000E+01 volume 27.42450 ppm1 9.2005682 ppm2 1.1297914
ASSI ( resid 28 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 316 weight 0.11000E+01 volume 49.73070 ppm1 9.0739231 ppm2 1.1332225
ASSI ( resid 30 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 317 weight 0.11000E+01 volume 27.46550 ppm1 9.0064535 ppm2 1.1416203
ASSI ( resid 18 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 318 weight 0.11000E+01 volume 152.63840 ppm1 8.9388933 ppm2 1.1407279
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 319 weight 0.11000E+01 volume 141.95461 ppm1 8.9389572 ppm2 0.9931078
  OR ( resid 18 and name HN )
     ( resid 17 and name HG )
ASSI ( resid 2 and name HN )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 320 weight 0.11000E+01 volume 16.26690 ppm1 8.8869219 ppm2 0.8996164
  OR ( resid 2 and name HN )
     ( resid 1 and name HD21 )
  OR ( resid 2 and name HN )
     ( resid 1 and name HD22 )
ASSI ( resid 18 and name HN )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 321 weight 0.11000E+01 volume 7.70660 ppm1 8.9350443 ppm2 0.8761742
  OR ( resid 18 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 18 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 22 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 22 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 22 and name HN )
     ( resid 20 and name HG12 )
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 322 weight 0.11000E+01 volume 75.36270 ppm1 8.9399643 ppm2 0.8069367
ASSI ( resid 18 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 323 weight 0.11000E+01 volume 25.99880 ppm1 8.9340401 ppm2 0.7521702
ASSI ( resid 22 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 324 weight 0.11000E+01 volume 15.87290 ppm1 8.9342461 ppm2 0.5727673
  OR ( resid 22 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 30 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 325 weight 0.11000E+01 volume 21.44470 ppm1 9.0147429 ppm2 0.5691463
  OR ( resid 30 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 30 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 2 and name HN )
     ( resid 1 and name HD12 )
     6.0 0.1 0.1 peak 326 weight 0.11000E+01 volume 82.17750 ppm1 8.8877277 ppm2 0.9417180
  OR ( resid 2 and name HN )
     ( resid 1 and name HD11 )
  OR ( resid 2 and name HN )
     ( resid 1 and name HD13 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 327 weight 0.11000E+01 volume 17.32370 ppm1 8.9407682 ppm2 0.3543196
  OR ( resid 18 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 18 and name HN )
     ( resid 17 and name HD11 )
ASSI ( resid 30 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 328 weight 0.11000E+01 volume 15.90000 ppm1 9.0099583 ppm2 0.3521487
  OR ( resid 30 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 30 and name HN )
     ( resid 17 and name HD12 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 329 weight 0.11000E+01 volume 41.49880 ppm1 8.9395075 ppm2 0.1013438
  OR ( resid 18 and name HN )
     ( resid 17 and name HD21 )
  OR ( resid 18 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 30 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 330 weight 0.11000E+01 volume 4.88420 ppm1 9.0134382 ppm2 0.1011554
  OR ( resid 30 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 5 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 331 weight 0.11000E+01 volume 10.83290 ppm1 8.7734823 ppm2 3.7977042
ASSI ( resid 20 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 332 weight 0.11000E+01 volume 17.52500 ppm1 8.7478504 ppm2 3.6581287
ASSI ( resid 29 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 333 weight 0.11000E+01 volume 202.30240 ppm1 8.6707525 ppm2 3.6623619
  OR ( resid 29 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 13 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 334 weight 0.11000E+01 volume 32.65200 ppm1 8.5487700 ppm2 3.6596465
  OR ( resid 13 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 16 and name HE1 )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 335 weight 0.11000E+01 volume 10.50330 ppm1 8.4952593 ppm2 3.6856084
  OR ( resid 16 and name HE1 )
     ( resid 15 and name HB2 )
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 336 weight 0.11000E+01 volume 7.56110 ppm1 8.4962044 ppm2 3.4846251
ASSI ( resid 9 and name HE1 )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 337 weight 0.11000E+01 volume 5.43750 ppm1 8.6448069 ppm2 3.3201141
ASSI ( resid 29 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 338 weight 0.11000E+01 volume 8.12730 ppm1 8.6737585 ppm2 3.1761041
  OR ( resid 29 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 5 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 339 weight 0.11000E+01 volume 12.23530 ppm1 8.7742233 ppm2 3.2468348
ASSI ( resid 8 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 340 weight 0.11000E+01 volume 3.04370 ppm1 8.6995020 ppm2 3.3743410
ASSI ( resid 11 and name HN )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 341 weight 0.11000E+01 volume 457.98010 ppm1 8.5897837 ppm2 3.4403162
ASSI ( resid 11 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 342 weight 0.11000E+01 volume 11.89260 ppm1 8.5898552 ppm2 3.3087299
ASSI ( resid 4 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 343 weight 0.11000E+01 volume 93.68200 ppm1 8.5284252 ppm2 3.3765979
  OR ( resid 7 and name HN )
     ( resid 3 and name HB1 )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 344 weight 0.11000E+01 volume 74.77240 ppm1 8.5894823 ppm2 3.1288126
ASSI ( resid 13 and name HN )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 345 weight 0.11000E+01 volume 28.72370 ppm1 8.5484695 ppm2 3.1200190
ASSI ( resid 4 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 346 weight 0.11000E+01 volume 10.11510 ppm1 8.5282249 ppm2 3.2370775
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 347 weight 0.11000E+01 volume 19.56340 ppm1 8.6455374 ppm2 3.1241164
ASSI ( resid 9 and name HE1 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 348 weight 0.11000E+01 volume 5.24880 ppm1 8.6449509 ppm2 3.0013280
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 349 weight 0.11000E+01 volume 51.47130 ppm1 8.5900049 ppm2 3.0258515
ASSI ( resid 4 and name HN )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 350 weight 0.11000E+01 volume 12.35500 ppm1 8.5333023 ppm2 2.9988415
  OR ( resid 4 and name HN )
     ( resid 4 and name HE2 )
ASSI ( resid 5 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 351 weight 0.11000E+01 volume 10.74040 ppm1 8.7729187 ppm2 2.8455780
ASSI ( resid 29 and name HN )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 352 weight 0.11000E+01 volume 69.44450 ppm1 8.6733074 ppm2 2.9256048
  OR ( resid 29 and name HN )
     ( resid 19 and name HE1 )
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 353 weight 0.11000E+01 volume 18.80080 ppm1 8.6459036 ppm2 2.8728597
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 354 weight 0.11000E+01 volume 411.31390 ppm1 8.7027922 ppm2 2.8724475
ASSI ( resid 13 and name HN )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 355 weight 0.11000E+01 volume 74.03510 ppm1 8.5553617 ppm2 2.8652365
  OR ( resid 7 and name HN )
     ( resid 14 and name HD2 )
ASSI ( resid 7 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 356 weight 0.11000E+01 volume 45.80390 ppm1 8.5543089 ppm2 2.6398423
  OR ( resid 7 and name HN )
     ( resid 30 and name HB2 )
ASSI ( resid 13 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 357 weight 0.11000E+01 volume 526.13531 ppm1 8.5471773 ppm2 2.5422437
  OR ( resid 13 and name HN )
     ( resid 13 and name HB1 )
ASSI ( resid 9 and name HE1 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 358 weight 0.11000E+01 volume 7.42610 ppm1 8.6453390 ppm2 2.6306236
ASSI ( resid 20 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 359 weight 0.11000E+01 volume 24.59790 ppm1 8.7563467 ppm2 2.4707832
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 360 weight 0.11000E+01 volume 188.11459 ppm1 8.6716108 ppm2 2.4703965
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 361 weight 0.11000E+01 volume 216.69901 ppm1 8.6715908 ppm2 2.4048083
ASSI ( resid 20 and name HN )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 362 weight 0.11000E+01 volume 67.36310 ppm1 8.7557697 ppm2 2.3619771
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 363 weight 0.11000E+01 volume 8.70100 ppm1 8.6442585 ppm2 2.2994840
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 364 weight 0.11000E+01 volume 234.77370 ppm1 8.7048197 ppm2 2.5251787
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 365 weight 0.11000E+01 volume 383.50800 ppm1 8.7252636 ppm2 1.9199586
ASSI ( resid 8 and name HN )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 366 weight 0.11000E+01 volume 61.41850 ppm1 8.7013340 ppm2 1.6254940
  OR ( resid 8 and name HN )
     ( resid 1 and name HB1 )
  OR ( resid 8 and name HN )
     ( resid 1 and name HG )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 367 weight 0.11000E+01 volume 42.42200 ppm1 8.7273474 ppm2 1.5465674
ASSI ( resid 29 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 368 weight 0.11000E+01 volume 50.74230 ppm1 8.6729259 ppm2 1.5465001
  OR ( resid 29 and name HN )
     ( resid 19 and name HD1 )
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 369 weight 0.11000E+01 volume 50.96670 ppm1 8.6456404 ppm2 1.5609953
  OR ( resid 9 and name HE1 )
     ( resid 14 and name HG2 )
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 370 weight 0.11000E+01 volume 74.14880 ppm1 8.6444530 ppm2 1.7340938
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 371 weight 0.11000E+01 volume 563.58801 ppm1 8.7254505 ppm2 1.6858015
  OR ( resid 19 and name HN )
     ( resid 18 and name HB )
ASSI ( resid 20 and name HN )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 372 weight 0.11000E+01 volume 59.04360 ppm1 8.7519960 ppm2 1.5465674
  OR ( resid 20 and name HN )
     ( resid 19 and name HD2 )
ASSI ( resid 11 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 373 weight 0.11000E+01 volume 20.21970 ppm1 8.5897655 ppm2 1.6252997
ASSI ( resid 11 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 374 weight 0.11000E+01 volume 16.73440 ppm1 8.5897903 ppm2 1.5069919
ASSI ( resid 29 and name HN )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 375 weight 0.11000E+01 volume 43.08120 ppm1 8.6737423 ppm2 1.3714918
  OR ( resid 29 and name HN )
     ( resid 19 and name HG1 )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 376 weight 0.11000E+01 volume 154.03920 ppm1 8.7284594 ppm2 1.3761076
  OR ( resid 19 and name HN )
     ( resid 19 and name HG2 )
  OR ( resid 19 and name HN )
     ( resid 18 and name HG11 )
ASSI ( resid 11 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 377 weight 0.11000E+01 volume 41.24780 ppm1 8.5896816 ppm2 1.1303381
ASSI ( resid 19 and name HN )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 378 weight 0.11000E+01 volume 30.34550 ppm1 8.7252750 ppm2 0.9941386
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 379 weight 0.11000E+01 volume 145.34160 ppm1 8.7570972 ppm2 0.8728285
  OR ( resid 20 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 20 and name HN )
     ( resid 20 and name HG12 )
ASSI ( resid 19 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 380 weight 0.11000E+01 volume 177.67250 ppm1 8.7252254 ppm2 0.8074834
ASSI ( resid 19 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 381 weight 0.11000E+01 volume 33.11200 ppm1 8.7247791 ppm2 0.7495530
ASSI ( resid 8 and name HN )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 382 weight 0.11000E+01 volume 4.96050 ppm1 8.6721144 ppm2 0.8703024
  OR ( resid 8 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 8 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 8 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 29 and name HN )
     ( resid 1 and name HD21 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 383 weight 0.11000E+01 volume 392.47479 ppm1 8.7555628 ppm2 0.5727924
  OR ( resid 20 and name HN )
     ( resid 20 and name HG23 )
  OR ( resid 20 and name HN )
     ( resid 20 and name HG21 )
ASSI ( resid 29 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 384 weight 0.11000E+01 volume 37.43020 ppm1 8.6737585 ppm2 0.5734126
  OR ( resid 29 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 9 and name HE1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 385 weight 0.11000E+01 volume 37.10870 ppm1 8.6452866 ppm2 0.3525669
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD13 )
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD11 )
ASSI ( resid 9 and name HE1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 386 weight 0.11000E+01 volume 4.16280 ppm1 8.6448345 ppm2 0.0981646
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD23 )
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD21 )
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 387 weight 0.11000E+01 volume 110.25780 ppm1 8.4329863 ppm2 3.3781583
  OR ( resid 3 and name HN )
     ( resid 33 and name HD2 )
  OR ( resid 32 and name HN )
     ( resid 3 and name HB1 )
  OR ( resid 32 and name HN )
     ( resid 33 and name HD2 )
ASSI ( resid 3 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 388 weight 0.11000E+01 volume 206.61121 ppm1 8.4277792 ppm2 3.2420597
ASSI ( resid 3 and name HN )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 389 weight 0.11000E+01 volume 87.74100 ppm1 8.4275751 ppm2 3.0972433
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 390 weight 0.11000E+01 volume 120.48540 ppm1 8.3463545 ppm2 3.4797301
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 391 weight 0.11000E+01 volume 133.20360 ppm1 8.3191166 ppm2 3.3395596
  OR ( resid 25 and name HN )
     ( resid 26 and name HB1 )
ASSI ( resid 24 and name HN )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 392 weight 0.11000E+01 volume 11.35290 ppm1 8.2349987 ppm2 3.3910923
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 393 weight 0.11000E+01 volume 167.78931 ppm1 8.3165283 ppm2 3.2135777
  OR ( resid 25 and name HN )
     ( resid 26 and name HB2 )
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 394 weight 0.11000E+01 volume 140.45261 ppm1 8.3075304 ppm2 3.0841146
  OR ( resid 26 and name HN )
     ( resid 24 and name HB1 )
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 395 weight 0.11000E+01 volume 131.03030 ppm1 8.3074169 ppm2 2.9887507
  OR ( resid 26 and name HN )
     ( resid 24 and name HB2 )
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 396 weight 0.11000E+01 volume 246.33490 ppm1 8.2367334 ppm2 2.9888146
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 397 weight 0.11000E+01 volume 310.74759 ppm1 8.2368813 ppm2 3.0842619
ASSI ( resid 24 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 398 weight 0.11000E+01 volume 408.60400 ppm1 8.2367306 ppm2 3.1935821
  OR ( resid 24 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 399 weight 0.11000E+01 volume 129.34911 ppm1 8.3457794 ppm2 3.2693946
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 400 weight 0.11000E+01 volume 113.60800 ppm1 8.4276905 ppm2 2.8413122
ASSI ( resid 15 and name HN )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 401 weight 0.11000E+01 volume 15.29620 ppm1 8.3458080 ppm2 2.8735068
  OR ( resid 16 and name HN )
     ( resid 14 and name HD2 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 402 weight 0.11000E+01 volume 12.88890 ppm1 8.3132639 ppm2 2.7811768
  OR ( resid 26 and name HN )
     ( resid 27 and name HD1 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HD2 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HD1 )
ASSI ( resid 24 and name HN )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 403 weight 0.11000E+01 volume 17.84400 ppm1 8.2355518 ppm2 2.7834921
  OR ( resid 24 and name HN )
     ( resid 27 and name HD2 )
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 404 weight 0.11000E+01 volume 320.61761 ppm1 8.4441833 ppm2 2.6501586
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 405 weight 0.11000E+01 volume 187.86459 ppm1 8.4437323 ppm2 2.5864210
ASSI ( resid 15 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 406 weight 0.11000E+01 volume 13.09660 ppm1 8.3456850 ppm2 2.5412583
ASSI ( resid 24 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 407 weight 0.11000E+01 volume 8.15500 ppm1 8.2366314 ppm2 2.5153887
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 408 weight 0.11000E+01 volume 23.15410 ppm1 8.4964428 ppm2 2.2975295
ASSI ( resid 16 and name HN )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 409 weight 0.11000E+01 volume 144.13969 ppm1 8.3449297 ppm2 2.2986457
  OR ( resid 15 and name HN )
     ( resid 14 and name HB1 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 410 weight 0.11000E+01 volume 272.70929 ppm1 8.5280218 ppm2 1.8236891
ASSI ( resid 13 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 411 weight 0.11000E+01 volume 37.03220 ppm1 8.5479345 ppm2 1.6865696
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 412 weight 0.11000E+01 volume 103.60140 ppm1 8.4970207 ppm2 1.7479913
ASSI ( resid 3 and name HN )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 413 weight 0.11000E+01 volume 23.48270 ppm1 8.4273958 ppm2 1.6242142
  OR ( resid 3 and name HN )
     ( resid 1 and name HB2 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 414 weight 0.11000E+01 volume 359.16190 ppm1 8.5287628 ppm2 1.7524165
  OR ( resid 4 and name HN )
     ( resid 4 and name HD1 )
  OR ( resid 4 and name HN )
     ( resid 4 and name HD2 )
ASSI ( resid 13 and name HN )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 415 weight 0.11000E+01 volume 5.08990 ppm1 8.5495510 ppm2 1.5574577
  OR ( resid 13 and name HN )
     ( resid 14 and name HG2 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 416 weight 0.11000E+01 volume 54.05260 ppm1 8.5280085 ppm2 1.4516627
ASSI ( resid 7 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 417 weight 0.11000E+01 volume 52.37750 ppm1 8.5543146 ppm2 1.3889164
ASSI ( resid 4 and name HN )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 418 weight 0.11000E+01 volume 44.05820 ppm1 8.5291281 ppm2 1.3565055
ASSI ( resid 32 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 419 weight 0.11000E+01 volume 267.28210 ppm1 8.4460526 ppm2 1.3920994
ASSI ( resid 13 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 420 weight 0.11000E+01 volume 7.44060 ppm1 8.5473137 ppm2 1.1442169
  OR ( resid 13 and name HN )
     ( resid 27 and name HG2 )
  OR ( resid 11 and name HN )
     ( resid 17 and name HB2 )
  OR ( resid 11 and name HN )
     ( resid 27 and name HG2 )
ASSI ( resid 16 and name HN )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 421 weight 0.11000E+01 volume 196.63361 ppm1 8.3449640 ppm2 1.7505091
  OR ( resid 15 and name HN )
     ( resid 14 and name HB2 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 422 weight 0.11000E+01 volume 32.54040 ppm1 8.3146839 ppm2 1.6234802
ASSI ( resid 15 and name HN )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 423 weight 0.11000E+01 volume 22.71670 ppm1 8.3438082 ppm2 1.5628781
  OR ( resid 15 and name HN )
     ( resid 14 and name HG2 )
  OR ( resid 16 and name HN )
     ( resid 14 and name HG1 )
  OR ( resid 16 and name HN )
     ( resid 14 and name HG2 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 424 weight 0.11000E+01 volume 27.99410 ppm1 8.3116875 ppm2 1.5104480
  OR ( resid 26 and name HN )
     ( resid 27 and name HB2 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HB1 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 24 and name HN )
     ( resid 1 and name HG )
     6.0 0.1 0.1 peak 425 weight 0.11000E+01 volume 12.76980 ppm1 8.2355490 ppm2 1.6208198
  OR ( resid 24 and name HN )
     ( resid 1 and name HB2 )
  OR ( resid 24 and name HN )
     ( resid 1 and name HB1 )
ASSI ( resid 24 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 426 weight 0.11000E+01 volume 34.99740 ppm1 8.2350998 ppm2 1.5165348
  OR ( resid 24 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 427 weight 0.11000E+01 volume 12.93930 ppm1 8.3464403 ppm2 1.3315908
ASSI ( resid 26 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 428 weight 0.11000E+01 volume 9.20600 ppm1 8.3179083 ppm2 1.1339374
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 429 weight 0.11000E+01 volume 10.54980 ppm1 8.4958706 ppm2 1.5618947
  OR ( resid 16 and name HE1 )
     ( resid 14 and name HG2 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 430 weight 0.11000E+01 volume 21.03140 ppm1 8.3460560 ppm2 0.9866818
ASSI ( resid 16 and name HE1 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 431 weight 0.11000E+01 volume 4.65200 ppm1 8.4954157 ppm2 0.9858945
ASSI ( resid 32 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 432 weight 0.11000E+01 volume 8.89060 ppm1 8.4391890 ppm2 0.5717510
  OR ( resid 32 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 32 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 7 and name HN )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 433 weight 0.11000E+01 volume 9.65270 ppm1 8.5578594 ppm2 0.5746813
  OR ( resid 7 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 7 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 7 and name HN )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 434 weight 0.11000E+01 volume 16.55840 ppm1 8.5531435 ppm2 0.3537847
  OR ( resid 7 and name HN )
     ( resid 17 and name HD11 )
  OR ( resid 7 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 4 and name HN )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 435 weight 0.11000E+01 volume 5.96610 ppm1 8.5274906 ppm2 0.5717510
  OR ( resid 4 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 4 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 32 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 436 weight 0.11000E+01 volume 5.77140 ppm1 8.4471397 ppm2 0.3551153
  OR ( resid 32 and name HN )
     ( resid 17 and name HD12 )
  OR ( resid 32 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 437 weight 0.11000E+01 volume 21.18170 ppm1 8.3440981 ppm2 0.3524466
  OR ( resid 16 and name HN )
     ( resid 17 and name HD12 )
  OR ( resid 16 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 16 and name HE1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 438 weight 0.11000E+01 volume 9.24190 ppm1 8.4958735 ppm2 0.3525342
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD11 )
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD13 )
ASSI ( resid 7 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 439 weight 0.11000E+01 volume 6.71570 ppm1 8.5540991 ppm2 0.1032058
  OR ( resid 7 and name HN )
     ( resid 17 and name HD23 )
  OR ( resid 7 and name HN )
     ( resid 17 and name HD21 )
ASSI ( resid 16 and name HE1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 440 weight 0.11000E+01 volume 5.67070 ppm1 8.4982452 ppm2 0.1068364
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD23 )
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD21 )
ASSI ( resid 32 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 441 weight 0.11000E+01 volume 39.89710 ppm1 8.4434900 ppm2 0.1010207
  OR ( resid 32 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 442 weight 0.11000E+01 volume 10.58450 ppm1 8.3473587 ppm2 0.0992019
  OR ( resid 16 and name HN )
     ( resid 17 and name HD23 )
  OR ( resid 16 and name HN )
     ( resid 17 and name HD21 )
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 443 weight 0.11000E+01 volume 724.96191 ppm1 8.3085527 ppm2 3.3966649
  OR ( resid 26 and name HN )
     ( resid 25 and name HA2 )
ASSI ( resid 12 and name HN )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 444 weight 0.11000E+01 volume 154.24049 ppm1 7.9984436 ppm2 3.4408190
ASSI ( resid 35 and name HN )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 445 weight 0.11000E+01 volume 144.03000 ppm1 8.0474234 ppm2 3.3177004
  OR ( resid 35 and name HN )
     ( resid 34 and name HB1 )
ASSI ( resid 12 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 446 weight 0.11000E+01 volume 11.31440 ppm1 8.0004482 ppm2 3.3147638
ASSI ( resid 23 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 447 weight 0.11000E+01 volume 227.01010 ppm1 8.0126648 ppm2 3.1814103
  OR ( resid 23 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 12 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 448 weight 0.11000E+01 volume 13.53040 ppm1 7.9998922 ppm2 3.0076637
ASSI ( resid 35 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 449 weight 0.11000E+01 volume 112.19120 ppm1 8.0472956 ppm2 2.7252343
ASSI ( resid 35 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 450 weight 0.11000E+01 volume 246.63310 ppm1 8.0514622 ppm2 2.5849741
  OR ( resid 35 and name HN )
     ( resid 32 and name HB2 )
ASSI ( resid 12 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 451 weight 0.11000E+01 volume 8.72610 ppm1 8.0006609 ppm2 2.5393538
ASSI ( resid 23 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 452 weight 0.11000E+01 volume 21.88180 ppm1 8.0118732 ppm2 2.4673588
ASSI ( resid 35 and name HN )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 453 weight 0.11000E+01 volume 11.76320 ppm1 8.0493784 ppm2 2.1577826
  OR ( resid 35 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 35 and name HN )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 454 weight 0.11000E+01 volume 33.38600 ppm1 8.0493784 ppm2 1.8887922
ASSI ( resid 23 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 455 weight 0.11000E+01 volume 7.24300 ppm1 8.0144777 ppm2 1.6226311
ASSI ( resid 23 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 456 weight 0.11000E+01 volume 80.20240 ppm1 8.0144777 ppm2 1.5180842
  OR ( resid 23 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 35 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 457 weight 0.11000E+01 volume 16.01090 ppm1 8.0488577 ppm2 1.3917568
ASSI ( resid 35 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 458 weight 0.11000E+01 volume 23.89610 ppm1 8.0483265 ppm2 1.3008828
ASSI ( resid 24 and name HN )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 459 weight 0.11000E+01 volume 17.07000 ppm1 8.2359819 ppm2 0.9045002
  OR ( resid 24 and name HN )
     ( resid 1 and name HD21 )
  OR ( resid 24 and name HN )
     ( resid 1 and name HD22 )
ASSI ( resid 35 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 460 weight 0.11000E+01 volume 5.64600 ppm1 8.0497923 ppm2 0.7502284
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 461 weight 0.11000E+01 volume 76.09720 ppm1 7.6130409 ppm2 2.7246282
ASSI ( resid 36 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 462 weight 0.11000E+01 volume 102.46640 ppm1 7.6344562 ppm2 2.7251480
  OR ( resid 34 and name HE3 )
     ( resid 35 and name HB1 )
ASSI ( resid 34 and name HE3 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 463 weight 0.11000E+01 volume 13.74770 ppm1 7.6162357 ppm2 2.6540098
  OR ( resid 35 and name HD21 )
     ( resid 32 and name HB1 )
ASSI ( resid 17 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 464 weight 0.11000E+01 volume 67.50250 ppm1 7.7108221 ppm2 2.5411568
  OR ( resid 17 and name HN )
     ( resid 13 and name HB1 )
ASSI ( resid 17 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 465 weight 0.11000E+01 volume 32.47110 ppm1 7.7111807 ppm2 2.6272893
ASSI ( resid 36 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 466 weight 0.11000E+01 volume 58.13140 ppm1 7.6381464 ppm2 2.5881627
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 467 weight 0.11000E+01 volume 177.79170 ppm1 7.6141930 ppm2 2.5848317
  OR ( resid 34 and name HE3 )
     ( resid 35 and name HB2 )
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 468 weight 0.11000E+01 volume 148.04311 ppm1 7.5463967 ppm2 2.6463752
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 469 weight 0.11000E+01 volume 163.42830 ppm1 7.5459695 ppm2 2.5837235
ASSI ( resid 21 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 470 weight 0.11000E+01 volume 69.33320 ppm1 7.5442104 ppm2 2.4693038
ASSI ( resid 21 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 471 weight 0.11000E+01 volume 129.23830 ppm1 7.5437346 ppm2 2.3970816
ASSI ( resid 17 and name HN )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 472 weight 0.11000E+01 volume 7.09590 ppm1 7.7111807 ppm2 2.2961457
ASSI ( resid 34 and name HE3 )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 473 weight 0.11000E+01 volume 21.43530 ppm1 7.6272659 ppm2 2.1498675
ASSI ( resid 17 and name HN )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 474 weight 0.11000E+01 volume 2.61650 ppm1 7.7152891 ppm2 1.8988743
ASSI ( resid 21 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 475 weight 0.11000E+01 volume 58.20950 ppm1 7.5436578 ppm2 1.9046001
  OR ( resid 21 and name HN )
     ( resid 33 and name HG1 )
  OR ( resid 21 and name HN )
     ( resid 33 and name HG2 )
  OR ( resid 32 and name HE3 )
     ( resid 19 and name HB1 )
  OR ( resid 32 and name HE3 )
     ( resid 33 and name HG1 )
  OR ( resid 32 and name HE3 )
     ( resid 33 and name HG2 )
ASSI ( resid 17 and name HN )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 476 weight 0.11000E+01 volume 34.25640 ppm1 7.7101278 ppm2 1.7494116
ASSI ( resid 6 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 477 weight 0.11000E+01 volume 19.73940 ppm1 7.6234827 ppm2 1.7419201
ASSI ( resid 21 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 478 weight 0.11000E+01 volume 72.13670 ppm1 7.5433626 ppm2 1.6935191
ASSI ( resid 36 and name HN )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 479 weight 0.11000E+01 volume 114.23150 ppm1 7.6285605 ppm2 1.8893312
ASSI ( resid 17 and name HN )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 480 weight 0.11000E+01 volume 13.52480 ppm1 7.7103963 ppm2 1.5616567
ASSI ( resid 21 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 481 weight 0.11000E+01 volume 151.84660 ppm1 7.5439053 ppm2 1.5467600
  OR ( resid 21 and name HN )
     ( resid 19 and name HD1 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 482 weight 0.11000E+01 volume 318.64740 ppm1 7.7134414 ppm2 1.3268192
ASSI ( resid 36 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 483 weight 0.11000E+01 volume 293.02899 ppm1 7.6385145 ppm2 1.3012069
ASSI ( resid 6 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 484 weight 0.11000E+01 volume 62.01510 ppm1 7.6250429 ppm2 1.3883213
ASSI ( resid 21 and name HN )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 485 weight 0.11000E+01 volume 259.66541 ppm1 7.5440874 ppm2 1.3748487
  OR ( resid 21 and name HN )
     ( resid 19 and name HG1 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 486 weight 0.11000E+01 volume 124.64980 ppm1 7.7124424 ppm2 1.1389672
ASSI ( resid 17 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 487 weight 0.11000E+01 volume 203.48820 ppm1 7.7124424 ppm2 0.9890852
ASSI ( resid 32 and name HE3 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 488 weight 0.11000E+01 volume 20.49950 ppm1 7.5455723 ppm2 0.9888157
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 489 weight 0.11000E+01 volume 47.53450 ppm1 7.5441155 ppm2 0.8684179
  OR ( resid 21 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 21 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 32 and name HE3 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 490 weight 0.11000E+01 volume 4.77880 ppm1 7.5451012 ppm2 0.8084982
ASSI ( resid 32 and name HE3 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 491 weight 0.11000E+01 volume 3.97730 ppm1 7.5432820 ppm2 0.7499477
ASSI ( resid 6 and name HN )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 492 weight 0.11000E+01 volume 16.21260 ppm1 7.6306009 ppm2 0.8709423
  OR ( resid 6 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 6 and name HN )
     ( resid 20 and name HG11 )
ASSI ( resid 34 and name HE3 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 493 weight 0.11000E+01 volume 4.69110 ppm1 7.6272659 ppm2 0.8089687
ASSI ( resid 6 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 494 weight 0.11000E+01 volume 14.58110 ppm1 7.6272659 ppm2 0.7485443
  OR ( resid 34 and name HE3 )
     ( resid 18 and name HD11 )
ASSI ( resid 17 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 495 weight 0.11000E+01 volume 4.25530 ppm1 7.7126174 ppm2 0.8071447
ASSI ( resid 6 and name HN )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 496 weight 0.11000E+01 volume 24.76730 ppm1 7.6257839 ppm2 0.5725818
  OR ( resid 6 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 6 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 497 weight 0.11000E+01 volume 131.04230 ppm1 7.5436502 ppm2 0.5724279
  OR ( resid 21 and name HN )
     ( resid 20 and name HG23 )
  OR ( resid 21 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 498 weight 0.11000E+01 volume 79.64650 ppm1 7.7104993 ppm2 0.3529904
  OR ( resid 17 and name HN )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 6 and name HN )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 499 weight 0.11000E+01 volume 7.78280 ppm1 7.6224489 ppm2 0.3548994
  OR ( resid 6 and name HN )
     ( resid 17 and name HD11 )
  OR ( resid 6 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 500 weight 0.11000E+01 volume 26.61520 ppm1 7.5456419 ppm2 0.3520800
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD12 )
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 501 weight 0.11000E+01 volume 61.76430 ppm1 7.7132320 ppm2 0.0999204
  OR ( resid 17 and name HN )
     ( resid 17 and name HD21 )
  OR ( resid 17 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 6 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 502 weight 0.11000E+01 volume 5.23230 ppm1 7.6246724 ppm2 0.1006951
  OR ( resid 6 and name HN )
     ( resid 17 and name HD23 )
  OR ( resid 6 and name HN )
     ( resid 17 and name HD21 )
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 503 weight 0.11000E+01 volume 133.80040 ppm1 7.5456152 ppm2 0.0994263
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD23 )
ASSI ( resid 2 and name HE2 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 504 weight 0.11000E+01 volume 20.63040 ppm1 7.3610682 ppm2 2.3578880
ASSI ( resid 34 and name HN )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 505 weight 0.11000E+01 volume 41.90700 ppm1 7.2991858 ppm2 2.1516974
  OR ( resid 34 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 21 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 506 weight 0.11000E+01 volume 6.91130 ppm1 7.4985733 ppm2 1.8973842
  OR ( resid 21 and name HN )
     ( resid 33 and name HG1 )
  OR ( resid 21 and name HN )
     ( resid 33 and name HG2 )
  OR ( resid 32 and name HZ2 )
     ( resid 19 and name HB1 )
  OR ( resid 32 and name HZ2 )
     ( resid 33 and name HG1 )
  OR ( resid 32 and name HZ2 )
     ( resid 33 and name HG2 )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 507 weight 0.11000E+01 volume 7.65190 ppm1 7.3635635 ppm2 1.8368331
ASSI ( resid 34 and name HN )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 508 weight 0.11000E+01 volume 131.84950 ppm1 7.3004885 ppm2 1.8913506
  OR ( resid 34 and name HN )
     ( resid 33 and name HG1 )
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 509 weight 0.11000E+01 volume 26.40130 ppm1 7.4489245 ppm2 1.6206181
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 510 weight 0.11000E+01 volume 16.03930 ppm1 7.4466572 ppm2 1.5402679
  OR ( resid 10 and name HE2 )
     ( resid 27 and name HB2 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HB1 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HB2 )
ASSI ( resid 10 and name HZ )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 511 weight 0.11000E+01 volume 5.50770 ppm1 7.4026995 ppm2 1.6245608
ASSI ( resid 2 and name HD1 )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 512 weight 0.11000E+01 volume 48.35400 ppm1 7.3578281 ppm2 1.6257186
  OR ( resid 2 and name HD1 )
     ( resid 1 and name HB2 )
  OR ( resid 2 and name HD1 )
     ( resid 1 and name HG )
ASSI ( resid 10 and name HD1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 513 weight 0.11000E+01 volume 75.05640 ppm1 7.3006034 ppm2 1.6201274
  OR ( resid 10 and name HD2 )
     ( resid 27 and name HG1 )
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 514 weight 0.11000E+01 volume 23.86300 ppm1 7.3009739 ppm2 1.5085750
  OR ( resid 10 and name HD2 )
     ( resid 27 and name HB2 )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 515 weight 0.11000E+01 volume 32.51370 ppm1 7.3574257 ppm2 1.3616008
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HG2 )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 516 weight 0.11000E+01 volume 11.67540 ppm1 7.3602180 ppm2 1.4593889
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HG1 )
ASSI ( resid 34 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 517 weight 0.11000E+01 volume 10.43150 ppm1 7.2998304 ppm2 1.3900615
ASSI ( resid 34 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 518 weight 0.11000E+01 volume 6.56760 ppm1 7.2987833 ppm2 1.3010305
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 519 weight 0.11000E+01 volume 94.10340 ppm1 7.2998304 ppm2 1.1303784
ASSI ( resid 10 and name HZ )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 520 weight 0.11000E+01 volume 5.69120 ppm1 7.3597450 ppm2 1.1292942
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 521 weight 0.11000E+01 volume 21.09310 ppm1 7.4490862 ppm2 1.1301837
ASSI ( resid 2 and name HE1 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 522 weight 0.11000E+01 volume 20.68120 ppm1 7.4041142 ppm2 0.8723782
  OR ( resid 2 and name HE1 )
     ( resid 20 and name HG12 )
  OR ( resid 2 and name HE1 )
     ( resid 20 and name HG13 )
ASSI ( resid 2 and name HD1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 523 weight 0.11000E+01 volume 69.24560 ppm1 7.3546333 ppm2 0.9021874
ASSI ( resid 26 and name HE2 )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 524 weight 0.11000E+01 volume 21.61650 ppm1 7.3185215 ppm2 0.9023558
ASSI ( resid 34 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 525 weight 0.11000E+01 volume 22.06010 ppm1 7.2991323 ppm2 0.7518563
ASSI ( resid 2 and name HE1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 526 weight 0.11000E+01 volume 14.22900 ppm1 7.4021053 ppm2 0.5696403
ASSI ( resid 2 and name HD1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 527 weight 0.11000E+01 volume 16.88760 ppm1 7.3535857 ppm2 0.5732892
  OR ( resid 2 and name HD1 )
     ( resid 20 and name HG23 )
ASSI ( resid 32 and name HZ2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 528 weight 0.11000E+01 volume 16.25360 ppm1 7.4984465 ppm2 0.3536307
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD12 )
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD13 )
ASSI ( resid 32 and name HZ2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 529 weight 0.11000E+01 volume 25.37250 ppm1 7.4967012 ppm2 0.0991682
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD23 )
ASSI ( resid 34 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 530 weight 0.11000E+01 volume 5.03360 ppm1 7.2956419 ppm2 0.0918706
  OR ( resid 34 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 34 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HD2 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 531 weight 0.11000E+01 volume 4.15950 ppm1 7.0997696 ppm2 2.2939789
ASSI ( resid 34 and name HD1 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 532 weight 0.11000E+01 volume 14.63420 ppm1 7.2077694 ppm2 1.8933055
  OR ( resid 34 and name HD1 )
     ( resid 33 and name HG1 )
  OR ( resid 32 and name HD1 )
     ( resid 33 and name HG2 )
  OR ( resid 32 and name HD1 )
     ( resid 33 and name HG1 )
ASSI ( resid 34 and name HD1 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 533 weight 0.11000E+01 volume 33.66830 ppm1 7.1647058 ppm2 1.8923962
  OR ( resid 34 and name HD1 )
     ( resid 33 and name HG1 )
ASSI ( resid 32 and name HZ3 )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 534 weight 0.11000E+01 volume 60.28510 ppm1 7.1149244 ppm2 1.8923315
  OR ( resid 32 and name HZ3 )
     ( resid 33 and name HG2 )
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 535 weight 0.11000E+01 volume 18.91420 ppm1 7.1184216 ppm2 1.6925535
ASSI ( resid 24 and name HD1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 536 weight 0.11000E+01 volume 25.04860 ppm1 7.2129893 ppm2 1.6250337
ASSI ( resid 27 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 537 weight 0.11000E+01 volume 125.38560 ppm1 7.1717505 ppm2 1.6233112
ASSI ( resid 27 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 538 weight 0.11000E+01 volume 271.22980 ppm1 7.1721005 ppm2 1.5131780
  OR ( resid 27 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 9 and name HD2 )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 539 weight 0.11000E+01 volume 24.93990 ppm1 7.1055479 ppm2 1.5631949
ASSI ( resid 32 and name HD1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 540 weight 0.11000E+01 volume 19.31280 ppm1 7.2046623 ppm2 1.3898275
ASSI ( resid 34 and name HH2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 541 weight 0.11000E+01 volume 14.55140 ppm1 7.1650281 ppm2 1.3027146
ASSI ( resid 34 and name HH2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 542 weight 0.11000E+01 volume 11.97190 ppm1 7.1661725 ppm2 1.3895959
ASSI ( resid 34 and name HZ3 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 543 weight 0.11000E+01 volume 49.58230 ppm1 7.1156955 ppm2 1.3894449
ASSI ( resid 34 and name HZ3 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 544 weight 0.11000E+01 volume 5.70320 ppm1 7.1223350 ppm2 1.3052408
ASSI ( resid 34 and name HZ2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 545 weight 0.11000E+01 volume 7.45740 ppm1 7.0545135 ppm2 1.3020858
ASSI ( resid 34 and name HZ2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 546 weight 0.11000E+01 volume 10.42350 ppm1 7.0541177 ppm2 1.3893991
ASSI ( resid 34 and name HZ3 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 547 weight 0.11000E+01 volume 15.48220 ppm1 7.1055503 ppm2 1.3150250
ASSI ( resid 27 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 548 weight 0.11000E+01 volume 52.40490 ppm1 7.1716332 ppm2 1.1308612
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 549 weight 0.11000E+01 volume 14.74960 ppm1 7.1061792 ppm2 1.1399746
  OR ( resid 9 and name HD2 )
     ( resid 27 and name HG2 )
ASSI ( resid 24 and name HD1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 550 weight 0.11000E+01 volume 60.46290 ppm1 7.2112813 ppm2 0.9239680
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD11 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD22 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD13 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD23 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD12 )
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 551 weight 0.11000E+01 volume 6.95410 ppm1 7.1216807 ppm2 0.9926460
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 552 weight 0.11000E+01 volume 33.12490 ppm1 7.0978141 ppm2 0.9881348
ASSI ( resid 34 and name HH2 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 553 weight 0.11000E+01 volume 10.69680 ppm1 7.1612239 ppm2 0.8671144
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG12 )
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG13 )
ASSI ( resid 34 and name HH2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 554 weight 0.11000E+01 volume 8.52890 ppm1 7.1621819 ppm2 0.7524177
ASSI ( resid 34 and name HZ3 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 555 weight 0.11000E+01 volume 29.79820 ppm1 7.1153522 ppm2 0.8679999
  OR ( resid 34 and name HZ3 )
     ( resid 20 and name HG12 )
  OR ( resid 34 and name HZ3 )
     ( resid 20 and name HG13 )
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 556 weight 0.11000E+01 volume 21.47130 ppm1 7.1171527 ppm2 0.8042308
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 557 weight 0.11000E+01 volume 16.71590 ppm1 7.1133132 ppm2 0.7480391
ASSI ( resid 32 and name HD1 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 558 weight 0.11000E+01 volume 4.51220 ppm1 7.2072053 ppm2 0.7512164
ASSI ( resid 34 and name HH2 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 559 weight 0.11000E+01 volume 6.43430 ppm1 7.1632290 ppm2 0.8093392
ASSI ( resid 34 and name HH2 )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 560 weight 0.11000E+01 volume 3.09800 ppm1 7.1680126 ppm2 0.5752038
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG21 )
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG23 )
ASSI ( resid 9 and name HD2 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 561 weight 0.11000E+01 volume 4.68330 ppm1 7.1091242 ppm2 0.5700894
  OR ( resid 9 and name HD2 )
     ( resid 20 and name HG21 )
  OR ( resid 9 and name HD2 )
     ( resid 20 and name HG22 )
ASSI ( resid 32 and name HD1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 562 weight 0.11000E+01 volume 31.01610 ppm1 7.2058144 ppm2 0.3506555
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD13 )
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD12 )
ASSI ( resid 34 and name HH2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 563 weight 0.11000E+01 volume 6.86440 ppm1 7.1588507 ppm2 0.3551913
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 564 weight 0.11000E+01 volume 26.59420 ppm1 7.1278238 ppm2 0.3524519
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD13 )
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD12 )
  OR ( resid 27 and name HN )
     ( resid 17 and name HD11 )
  OR ( resid 27 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 27 and name HN )
     ( resid 17 and name HD12 )
ASSI ( resid 32 and name HD1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 565 weight 0.11000E+01 volume 73.72010 ppm1 7.2054653 ppm2 0.0997857
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD23 )
ASSI ( resid 34 and name HD1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 566 weight 0.11000E+01 volume 10.91980 ppm1 7.1607313 ppm2 0.0963165
  OR ( resid 34 and name HD1 )
     ( resid 17 and name HD22 )
  OR ( resid 34 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 567 weight 0.11000E+01 volume 38.80310 ppm1 7.1268840 ppm2 0.0983711
  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 568 weight 0.11000E+01 volume 82.08840 ppm1 7.0978589 ppm2 0.1004703
  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 569 weight 0.11000E+01 volume 61.52610 ppm1 7.1055312 ppm2 0.3525349
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD13 )
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD11 )
ASSI ( resid 34 and name HZ2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 570 weight 0.11000E+01 volume 4.21090 ppm1 7.0517168 ppm2 0.3494948
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD13 )
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD12 )
ASSI ( resid 34 and name HZ2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 571 weight 0.11000E+01 volume 5.03700 ppm1 7.0539684 ppm2 0.1015921
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD22 )
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD23 )
ASSI ( resid 27 and name HE )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 572 weight 0.11000E+01 volume 140.44220 ppm1 6.9863129 ppm2 1.6220502
ASSI ( resid 27 and name HE )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 573 weight 0.11000E+01 volume 144.64690 ppm1 6.9861984 ppm2 1.5115746
  OR ( resid 27 and name HE )
     ( resid 27 and name HB1 )
ASSI ( resid 35 and name HD22 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 574 weight 0.11000E+01 volume 6.76780 ppm1 6.9270220 ppm2 1.3889463
ASSI ( resid 27 and name HE )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 575 weight 0.11000E+01 volume 93.58720 ppm1 6.9860768 ppm2 1.1311831
ASSI ( resid 27 and name HE )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 576 weight 0.11000E+01 volume 22.45690 ppm1 6.9888430 ppm2 0.9222614
  OR ( resid 27 and name HE )
     ( resid 1 and name HD11 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD22 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD13 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD23 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD12 )
ASSI ( resid 34 and name HZ2 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 577 weight 0.11000E+01 volume 26.67000 ppm1 7.0537820 ppm2 0.8700176
  OR ( resid 34 and name HZ2 )
     ( resid 20 and name HG12 )
  OR ( resid 34 and name HZ2 )
     ( resid 20 and name HG13 )
ASSI ( resid 34 and name HZ2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 578 weight 0.11000E+01 volume 7.53020 ppm1 7.0540829 ppm2 0.7505031
ASSI ( resid 31 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 579 weight 0.11000E+01 volume 4.39830 ppm1 9.6698303 ppm2 0.7570545
ASSI ( resid 3 and name HN )
     ( resid 1 and name HD11 )
     6.0 0.1 0.1 peak 580 weight 0.11000E+01 volume 6.43710 ppm1 8.4297953 ppm2 0.9310187
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 581 weight 0.11000E+01 volume 9.01770 ppm1 8.4981222 ppm2 3.2637765
ASSI ( resid 16 and name HD2 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 582 weight 0.11000E+01 volume 39.18650 ppm1 7.1053658 ppm2 1.7372754
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 583 weight 0.11000E+01 volume 5.61710 ppm1 10.1523981 ppm2 8.4445162
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HN )
ASSI ( resid 9 and name HN )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 584 weight 0.11000E+01 volume 15.35000 ppm1 9.6484318 ppm2 9.1987314
ASSI ( resid 9 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 585 weight 0.11000E+01 volume 101.94350 ppm1 9.6493206 ppm2 9.0761538
ASSI ( resid 31 and name HN )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 586 weight 0.11000E+01 volume 39.67630 ppm1 9.6590166 ppm2 9.0137386
  OR ( resid 9 and name HN )
     ( resid 30 and name HN )
ASSI ( resid 31 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 587 weight 0.11000E+01 volume 96.57750 ppm1 9.6713943 ppm2 8.9384556
ASSI ( resid 31 and name HN )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 588 weight 0.11000E+01 volume 25.38020 ppm1 9.6706524 ppm2 8.7521162
ASSI ( resid 9 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 589 weight 0.11000E+01 volume 36.77190 ppm1 9.6510983 ppm2 8.6966095
ASSI ( resid 9 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 590 weight 0.11000E+01 volume 15.92270 ppm1 9.6582088 ppm2 8.5636244
  OR ( resid 31 and name HN )
     ( resid 7 and name HN )
ASSI ( resid 31 and name HN )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 591 weight 0.11000E+01 volume 17.23460 ppm1 9.6679859 ppm2 8.4479847
ASSI ( resid 34 and name HE1 )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 592 weight 0.11000E+01 volume 2.54870 ppm1 10.1531591 ppm2 8.0497665
ASSI ( resid 9 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 593 weight 0.11000E+01 volume 3.07500 ppm1 9.6510983 ppm2 8.0092182
ASSI ( resid 34 and name HE1 )
     ( resid 35 and name HD21 )
     6.0 0.1 0.1 peak 594 weight 0.11000E+01 volume 11.87360 ppm1 10.1502533 ppm2 7.6252213
ASSI ( resid 32 and name HE1 )
     ( resid 32 and name HZ2 )
     6.0 0.1 0.1 peak 595 weight 0.11000E+01 volume 79.95840 ppm1 10.1523113 ppm2 7.4990921
ASSI ( resid 32 and name HE1 )
     ( resid 32 and name HD1 )
     6.0 0.1 0.1 peak 596 weight 0.11000E+01 volume 257.14621 ppm1 10.1519108 ppm2 7.2066145
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HH2 )
  OR ( resid 34 and name HE1 )
     ( resid 32 and name HD1 )
  OR ( resid 34 and name HE1 )
     ( resid 32 and name HH2 )
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HD1 )
     6.0 0.1 0.1 peak 597 weight 0.11000E+01 volume 231.26939 ppm1 10.1519108 ppm2 7.1585965
  OR ( resid 34 and name HE1 )
     ( resid 34 and name HH2 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 598 weight 0.11000E+01 volume 62.09310 ppm1 9.6511803 ppm2 7.1079845
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HZ2 )
     6.0 0.1 0.1 peak 599 weight 0.11000E+01 volume 2.19110 ppm1 10.1526270 ppm2 7.0531116
ASSI ( resid 34 and name HE1 )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 600 weight 0.11000E+01 volume 11.78770 ppm1 10.1503382 ppm2 6.9261279
ASSI ( resid 18 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 601 weight 0.11000E+01 volume 35.39110 ppm1 8.9367361 ppm2 8.7362080
ASSI ( resid 30 and name HN )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 602 weight 0.11000E+01 volume 14.08390 ppm1 9.0114136 ppm2 8.7566414
ASSI ( resid 28 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 603 weight 0.11000E+01 volume 25.67400 ppm1 9.0755787 ppm2 8.5875387
ASSI ( resid 30 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 604 weight 0.11000E+01 volume 158.51880 ppm1 9.0138645 ppm2 8.5570002
  OR ( resid 30 and name HN )
     ( resid 4 and name HN )
ASSI ( resid 22 and name HN )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 605 weight 0.11000E+01 volume 21.00370 ppm1 8.9367361 ppm2 8.6769514
ASSI ( resid 28 and name HN )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 606 weight 0.11000E+01 volume 16.57240 ppm1 9.0742998 ppm2 8.6721458
ASSI ( resid 30 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 607 weight 0.11000E+01 volume 34.23060 ppm1 9.0152416 ppm2 8.6899633
ASSI ( resid 10 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 608 weight 0.11000E+01 volume 21.43760 ppm1 9.2004776 ppm2 8.5913553
ASSI ( resid 10 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 609 weight 0.11000E+01 volume 2.34790 ppm1 9.2019472 ppm2 7.9982271
ASSI ( resid 28 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 610 weight 0.11000E+01 volume 17.96590 ppm1 9.0754232 ppm2 8.0081024
  OR ( resid 28 and name HN )
     ( resid 12 and name HN )
ASSI ( resid 28 and name HN )
     ( resid 10 and name HD2 )
     6.0 0.1 0.1 peak 611 weight 0.11000E+01 volume 7.07480 ppm1 9.0778446 ppm2 7.2961392
ASSI ( resid 10 and name HN )
     ( resid 10 and name HD2 )
     6.0 0.1 0.1 peak 612 weight 0.11000E+01 volume 51.43140 ppm1 9.2008400 ppm2 7.2999811
  OR ( resid 10 and name HN )
     ( resid 10 and name HD1 )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 613 weight 0.11000E+01 volume 9.03360 ppm1 9.1988230 ppm2 7.1079059
ASSI ( resid 10 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 614 weight 0.11000E+01 volume 5.73290 ppm1 9.1995468 ppm2 6.9858332
ASSI ( resid 28 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 615 weight 0.11000E+01 volume 4.47690 ppm1 9.0802546 ppm2 7.1070523
ASSI ( resid 28 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 616 weight 0.11000E+01 volume 4.91220 ppm1 9.0785179 ppm2 6.9857211
ASSI ( resid 10 and name HN )
     ( resid 10 and name HE1 )
     6.0 0.1 0.1 peak 617 weight 0.11000E+01 volume 5.84870 ppm1 9.2029943 ppm2 7.4451685
ASSI ( resid 28 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 618 weight 0.11000E+01 volume 26.22110 ppm1 9.0749464 ppm2 7.1712713
ASSI ( resid 30 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 619 weight 0.11000E+01 volume 53.45510 ppm1 9.0148201 ppm2 7.1069736
ASSI ( resid 8 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 620 weight 0.11000E+01 volume 37.60030 ppm1 8.7048397 ppm2 8.5542612
ASSI ( resid 5 and name HN )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 621 weight 0.11000E+01 volume 54.87250 ppm1 8.7728548 ppm2 8.5281277
ASSI ( resid 5 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 622 weight 0.11000E+01 volume 12.95860 ppm1 8.7732420 ppm2 8.4275780
ASSI ( resid 2 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 623 weight 0.11000E+01 volume 21.85040 ppm1 8.8873062 ppm2 8.4280891
ASSI ( resid 8 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 624 weight 0.11000E+01 volume 10.36140 ppm1 8.7047091 ppm2 8.4286346
ASSI ( resid 22 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 625 weight 0.11000E+01 volume 22.56560 ppm1 8.9358377 ppm2 8.0150671
ASSI ( resid 29 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 626 weight 0.11000E+01 volume 48.99010 ppm1 8.6704521 ppm2 8.0150986
ASSI ( resid 18 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 627 weight 0.11000E+01 volume 17.83090 ppm1 8.9399376 ppm2 7.7095890
ASSI ( resid 22 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 628 weight 0.11000E+01 volume 44.05760 ppm1 8.9368696 ppm2 7.5438995
ASSI ( resid 2 and name HN )
     ( resid 2 and name HD2 )
     6.0 0.1 0.1 peak 629 weight 0.11000E+01 volume 46.41010 ppm1 8.8879242 ppm2 7.3591647
  OR ( resid 2 and name HN )
     ( resid 2 and name HD1 )
ASSI ( resid 5 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 630 weight 0.11000E+01 volume 213.99600 ppm1 8.7735996 ppm2 7.6234083
ASSI ( resid 20 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 631 weight 0.11000E+01 volume 388.75079 ppm1 8.7545280 ppm2 7.5441179
ASSI ( resid 29 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 632 weight 0.11000E+01 volume 87.31740 ppm1 8.6715984 ppm2 7.5435667
ASSI ( resid 5 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 633 weight 0.11000E+01 volume 12.69180 ppm1 8.7720118 ppm2 7.3582101
  OR ( resid 5 and name HN )
     ( resid 2 and name HD2 )
ASSI ( resid 8 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 634 weight 0.11000E+01 volume 11.59520 ppm1 8.7056694 ppm2 7.3583426
ASSI ( resid 8 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 635 weight 0.11000E+01 volume 12.27950 ppm1 8.7033854 ppm2 7.1056156
ASSI ( resid 4 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 636 weight 0.11000E+01 volume 164.45630 ppm1 8.5207901 ppm2 8.4321880
ASSI ( resid 11 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 637 weight 0.11000E+01 volume 73.40120 ppm1 8.5897570 ppm2 7.9982958
ASSI ( resid 32 and name HN )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 638 weight 0.11000E+01 volume 8.83990 ppm1 8.4408407 ppm2 8.0509939
ASSI ( resid 13 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 639 weight 0.11000E+01 volume 50.57480 ppm1 8.5469198 ppm2 7.9983234
ASSI ( resid 4 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 640 weight 0.11000E+01 volume 12.33250 ppm1 8.5310087 ppm2 7.6224332
ASSI ( resid 32 and name HN )
     ( resid 34 and name HE3 )
     6.0 0.1 0.1 peak 641 weight 0.11000E+01 volume 20.59180 ppm1 8.4498281 ppm2 7.6146855
  OR ( resid 32 and name HN )
     ( resid 35 and name HD21 )
  OR ( resid 32 and name HN )
     ( resid 6 and name HN )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 642 weight 0.11000E+01 volume 225.20731 ppm1 8.3465538 ppm2 7.7117562
  OR ( resid 15 and name HN )
     ( resid 17 and name HN )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HE1 )
     6.0 0.1 0.1 peak 643 weight 0.11000E+01 volume 10.07050 ppm1 8.5944653 ppm2 7.4496140
  OR ( resid 11 and name HN )
     ( resid 10 and name HE2 )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 644 weight 0.11000E+01 volume 53.89400 ppm1 8.5902052 ppm2 7.3001313
  OR ( resid 11 and name HN )
     ( resid 10 and name HD2 )
ASSI ( resid 4 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 645 weight 0.11000E+01 volume 10.77080 ppm1 8.5288820 ppm2 7.3613129
ASSI ( resid 32 and name HN )
     ( resid 32 and name HD1 )
     6.0 0.1 0.1 peak 646 weight 0.11000E+01 volume 92.24110 ppm1 8.4433393 ppm2 7.2038960
ASSI ( resid 7 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 647 weight 0.11000E+01 volume 45.22790 ppm1 8.5610647 ppm2 7.6224332
ASSI ( resid 32 and name HN )
     ( resid 32 and name HE3 )
     6.0 0.1 0.1 peak 648 weight 0.11000E+01 volume 24.89980 ppm1 8.4424248 ppm2 7.5453959
ASSI ( resid 3 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 649 weight 0.11000E+01 volume 57.52480 ppm1 8.4276714 ppm2 7.3584538
  OR ( resid 3 and name HN )
     ( resid 2 and name HD2 )
ASSI ( resid 9 and name HE1 )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 650 weight 0.11000E+01 volume 20.40020 ppm1 8.6452503 ppm2 7.1056080
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 651 weight 0.11000E+01 volume 15.44610 ppm1 8.4954510 ppm2 7.0967126
ASSI ( resid 16 and name HN )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 652 weight 0.11000E+01 volume 30.71260 ppm1 8.3445339 ppm2 7.0974813
  OR ( resid 15 and name HN )
     ( resid 16 and name HD2 )
ASSI ( resid 7 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 653 weight 0.11000E+01 volume 21.96610 ppm1 8.5562582 ppm2 7.1064868
ASSI ( resid 3 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 654 weight 0.11000E+01 volume 48.62430 ppm1 8.4298811 ppm2 7.6212430
ASSI ( resid 25 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 655 weight 0.11000E+01 volume 17.05020 ppm1 8.3145609 ppm2 8.0142870
  OR ( resid 26 and name HN )
     ( resid 23 and name HN )
ASSI ( resid 24 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 656 weight 0.11000E+01 volume 52.29990 ppm1 8.2372141 ppm2 8.0090590
ASSI ( resid 26 and name HN )
     ( resid 26 and name HE2 )
     6.0 0.1 0.1 peak 657 weight 0.11000E+01 volume 4.14220 ppm1 8.3210297 ppm2 7.3124752
ASSI ( resid 24 and name HN )
     ( resid 26 and name HE1 )
     6.0 0.1 0.1 peak 658 weight 0.11000E+01 volume 3.35160 ppm1 8.2379780 ppm2 7.3561797
  OR ( resid 24 and name HN )
     ( resid 26 and name HZ )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 659 weight 0.11000E+01 volume 173.14211 ppm1 8.3167591 ppm2 7.1709352
  OR ( resid 25 and name HN )
     ( resid 27 and name HN )
ASSI ( resid 26 and name HN )
     ( resid 26 and name HD1 )
     6.0 0.1 0.1 peak 660 weight 0.11000E+01 volume 157.05510 ppm1 8.3111286 ppm2 7.2150240
  OR ( resid 26 and name HN )
     ( resid 24 and name HD2 )
  OR ( resid 26 and name HN )
     ( resid 24 and name HD1 )
  OR ( resid 25 and name HN )
     ( resid 26 and name HD1 )
  OR ( resid 25 and name HN )
     ( resid 24 and name HD2 )
  OR ( resid 25 and name HN )
     ( resid 24 and name HD1 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 661 weight 0.11000E+01 volume 6.53850 ppm1 8.3105345 ppm2 6.9875340
  OR ( resid 25 and name HN )
     ( resid 27 and name HE )
ASSI ( resid 26 and name HN )
     ( resid 26 and name HE1 )
     6.0 0.1 0.1 peak 662 weight 0.11000E+01 volume 18.12780 ppm1 8.3114109 ppm2 7.3605380
  OR ( resid 25 and name HN )
     ( resid 26 and name HE1 )
ASSI ( resid 24 and name HN )
     ( resid 24 and name HD2 )
     6.0 0.1 0.1 peak 663 weight 0.11000E+01 volume 66.39660 ppm1 8.2367020 ppm2 7.2099218
  OR ( resid 24 and name HN )
     ( resid 24 and name HD1 )
ASSI ( resid 24 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 664 weight 0.11000E+01 volume 2.19540 ppm1 8.2409878 ppm2 6.9828854
ASSI ( resid 35 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 665 weight 0.11000E+01 volume 230.55321 ppm1 8.0470009 ppm2 7.6365938
ASSI ( resid 35 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 666 weight 0.11000E+01 volume 159.21140 ppm1 8.0492887 ppm2 7.2983627
ASSI ( resid 35 and name HN )
     ( resid 34 and name HD1 )
     6.0 0.1 0.1 peak 667 weight 0.11000E+01 volume 30.64550 ppm1 8.0508404 ppm2 7.1707330
  OR ( resid 35 and name HN )
     ( resid 27 and name HN )
  OR ( resid 23 and name HN )
     ( resid 34 and name HD1 )
  OR ( resid 23 and name HN )
     ( resid 27 and name HN )
ASSI ( resid 23 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 668 weight 0.11000E+01 volume 44.58680 ppm1 8.0126076 ppm2 7.1734562
ASSI ( resid 35 and name HN )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 669 weight 0.11000E+01 volume 6.77210 ppm1 8.0486155 ppm2 6.9291701
ASSI ( resid 36 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 670 weight 0.11000E+01 volume 97.62630 ppm1 7.6273150 ppm2 7.3020225
  OR ( resid 34 and name HE3 )
     ( resid 34 and name HN )
  OR ( resid 35 and name HD21 )
     ( resid 34 and name HN )
ASSI ( resid 35 and name HD21 )
     ( resid 34 and name HH2 )
     6.0 0.1 0.1 peak 671 weight 0.11000E+01 volume 11.35120 ppm1 7.6263080 ppm2 7.1948147
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HH2 )
     6.0 0.1 0.1 peak 672 weight 0.11000E+01 volume 26.85750 ppm1 7.5511432 ppm2 7.2133393
  OR ( resid 32 and name HE3 )
     ( resid 32 and name HD1 )
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 673 weight 0.11000E+01 volume 2068.06934 ppm1 7.6134558 ppm2 6.9253898
ASSI ( resid 32 and name HZ2 )
     ( resid 32 and name HH2 )
     6.0 0.1 0.1 peak 674 weight 0.11000E+01 volume 481.38889 ppm1 7.4969192 ppm2 7.2129021
ASSI ( resid 10 and name HE1 )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 675 weight 0.11000E+01 volume 899.94342 ppm1 7.4493575 ppm2 7.3009024
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HD2 )
  OR ( resid 10 and name HE2 )
     ( resid 10 and name HD1 )
  OR ( resid 10 and name HE2 )
     ( resid 10 and name HD2 )
ASSI ( resid 10 and name HE2 )
     ( resid 10 and name HZ )
     6.0 0.1 0.1 peak 676 weight 0.11000E+01 volume 716.86407 ppm1 7.4512806 ppm2 7.3647709
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HZ )
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HZ3 )
     6.0 0.1 0.1 peak 677 weight 0.11000E+01 volume 365.19049 ppm1 7.6337042 ppm2 7.1172876
  OR ( resid 36 and name HN )
     ( resid 34 and name HZ3 )
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HZ3 )
     6.0 0.1 0.1 peak 678 weight 0.11000E+01 volume 439.11292 ppm1 7.5524626 ppm2 7.1285253
ASSI ( resid 32 and name HE3 )
     ( resid 34 and name HZ2 )
     6.0 0.1 0.1 peak 679 weight 0.11000E+01 volume 12.71950 ppm1 7.5477262 ppm2 7.0541949
ASSI ( resid 32 and name HZ2 )
     ( resid 32 and name HZ3 )
     6.0 0.1 0.1 peak 680 weight 0.11000E+01 volume 56.95560 ppm1 7.5025554 ppm2 7.1308122
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 681 weight 0.11000E+01 volume 4.13140 ppm1 7.4534793 ppm2 6.9832187
ASSI ( resid 26 and name HE1 )
     ( resid 26 and name HD1 )
     6.0 0.1 0.1 peak 682 weight 0.11000E+01 volume 1402.90601 ppm1 7.3665748 ppm2 7.2239380
  OR ( resid 10 and name HZ )
     ( resid 26 and name HD1 )
ASSI ( resid 31 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 683 weight 0.11000E+01 volume 7.43000 ppm1 9.6697483 ppm2 4.3858457
ASSI ( resid 17 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 684 weight 0.11000E+01 volume 7.52120 ppm1 7.7135930 ppm2 4.6712580
ASSI ( resid 2 and name HE2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 685 weight 0.11000E+01 volume 16.17500 ppm1 7.3992419 ppm2 1.3857311
ASSI ( resid 2 and name HE2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 686 weight 0.11000E+01 volume 15.52790 ppm1 7.4427633 ppm2 1.3783833
ASSI ( resid 2 and name HE2 )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 687 weight 0.11000E+01 volume 177.17480 ppm1 7.4412742 ppm2 1.7120944
ASSI ( resid 2 and name HD2 )
     ( resid 4 and name HD1 )
     6.0 0.1 0.1 peak 688 weight 0.11000E+01 volume 23.95730 ppm1 7.3612256 ppm2 1.7365186

! derived from the 2D file(s):
! /home/meudal/GALLINACINES/Gall2/AvBD2-K31A-SS/Aria/avbd2-k31a-d2o-noes-020810.xpk
ASSI ( resid 7 and name HA )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 0 weight 0.11000E+01 volume 7.01260 ppm1 4.9601622 ppm2 5.5048399
ASSI ( resid 28 and name HA )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 1 weight 0.11000E+01 volume 3.23840 ppm1 4.7068186 ppm2 5.5087838
  OR ( resid 28 and name HA )
     ( resid 8 and name HA )
ASSI ( resid 30 and name HA )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 2 weight 0.11000E+01 volume 4.58970 ppm1 5.5060654 ppm2 4.7891555
ASSI ( resid 8 and name HA )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 3 weight 0.11000E+01 volume 7.21660 ppm1 5.5112271 ppm2 4.5240569
  OR ( resid 8 and name HA )
     ( resid 17 and name HA )
  OR ( resid 30 and name HA )
     ( resid 10 and name HA )
  OR ( resid 30 and name HA )
     ( resid 17 and name HA )
ASSI ( resid 30 and name HA )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 4 weight 0.11000E+01 volume 12.50950 ppm1 5.5082774 ppm2 4.3769150
ASSI ( resid 22 and name HA )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 5 weight 0.11000E+01 volume 72.93210 ppm1 5.0503078 ppm2 4.7039824
ASSI ( resid 22 and name HA )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 6 weight 0.11000E+01 volume 6.21460 ppm1 5.0518727 ppm2 4.3257275
ASSI ( resid 8 and name HA )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 7 weight 0.11000E+01 volume 4.42850 ppm1 5.5085440 ppm2 3.8849952
ASSI ( resid 8 and name HA )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 8 weight 0.11000E+01 volume 9.04880 ppm1 5.5073357 ppm2 3.7772214
ASSI ( resid 30 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 9 weight 0.11000E+01 volume 20.62710 ppm1 5.5073357 ppm2 3.6486840
  OR ( resid 30 and name HA )
     ( resid 28 and name HB1 )
  OR ( resid 8 and name HA )
     ( resid 28 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 28 and name HB1 )
ASSI ( resid 22 and name HA )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 10 weight 0.11000E+01 volume 7.73810 ppm1 5.0482769 ppm2 4.0280066
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 11 weight 0.11000E+01 volume 272.17340 ppm1 5.0514541 ppm2 3.8916097
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 12 weight 0.11000E+01 volume 226.67680 ppm1 5.0510354 ppm2 3.7678921
ASSI ( resid 22 and name HA )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 13 weight 0.11000E+01 volume 32.78690 ppm1 5.0512533 ppm2 3.6461902
ASSI ( resid 7 and name HA )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 14 weight 0.11000E+01 volume 4.38350 ppm1 4.9572978 ppm2 4.2153854
ASSI ( resid 7 and name HA )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 15 weight 0.11000E+01 volume 254.63010 ppm1 4.9583254 ppm2 3.8852680
  OR ( resid 7 and name HA )
     ( resid 5 and name HA2 )
ASSI ( resid 7 and name HA )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 16 weight 0.11000E+01 volume 232.76289 ppm1 4.9590659 ppm2 3.7692308
ASSI ( resid 8 and name HA )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 17 weight 0.11000E+01 volume 6.27110 ppm1 5.5078826 ppm2 3.3023829
ASSI ( resid 8 and name HA )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 18 weight 0.11000E+01 volume 31.88670 ppm1 5.5076513 ppm2 3.1696420
  OR ( resid 8 and name HA )
     ( resid 23 and name HB2 )
ASSI ( resid 8 and name HA )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 19 weight 0.11000E+01 volume 12.22710 ppm1 5.5016837 ppm2 2.9813235
ASSI ( resid 8 and name HA )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 20 weight 0.11000E+01 volume 220.75790 ppm1 5.5043669 ppm2 2.8593209
ASSI ( resid 22 and name HA )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 21 weight 0.11000E+01 volume 6.43570 ppm1 5.0535808 ppm2 3.1821420
  OR ( resid 22 and name HA )
     ( resid 23 and name HB1 )
ASSI ( resid 22 and name HA )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 22 weight 0.11000E+01 volume 59.92010 ppm1 5.0507150 ppm2 2.9053588
  OR ( resid 22 and name HA )
     ( resid 19 and name HE1 )
ASSI ( resid 7 and name HA )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 23 weight 0.11000E+01 volume 21.43370 ppm1 4.9596672 ppm2 3.2318068
ASSI ( resid 7 and name HA )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 24 weight 0.11000E+01 volume 13.64270 ppm1 4.9580956 ppm2 3.0818574
ASSI ( resid 7 and name HA )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 25 weight 0.11000E+01 volume 14.11520 ppm1 4.9593987 ppm2 2.8512447
ASSI ( resid 8 and name HA )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 26 weight 0.11000E+01 volume 24.26390 ppm1 5.5041289 ppm2 2.7664466
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 27 weight 0.11000E+01 volume 430.62109 ppm1 5.5056229 ppm2 2.6283171
  OR ( resid 30 and name HA )
     ( resid 30 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 30 and name HB1 )
  OR ( resid 8 and name HA )
     ( resid 30 and name HB2 )
ASSI ( resid 8 and name HA )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 28 weight 0.11000E+01 volume 346.77069 ppm1 5.5026350 ppm2 2.5100877
ASSI ( resid 30 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 29 weight 0.11000E+01 volume 15.84250 ppm1 5.5033822 ppm2 2.3848345
  OR ( resid 8 and name HA )
     ( resid 29 and name HB2 )
ASSI ( resid 7 and name HA )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 30 weight 0.11000E+01 volume 5.92320 ppm1 4.9542818 ppm2 2.5162041
ASSI ( resid 22 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 31 weight 0.11000E+01 volume 22.91890 ppm1 5.0496545 ppm2 2.4634295
ASSI ( resid 22 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 32 weight 0.11000E+01 volume 15.21020 ppm1 5.0510163 ppm2 2.3941514
ASSI ( resid 30 and name HA )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 33 weight 0.11000E+01 volume 8.48860 ppm1 5.5067935 ppm2 1.9049158
ASSI ( resid 30 and name HA )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 34 weight 0.11000E+01 volume 39.50090 ppm1 5.5043383 ppm2 1.6740371
ASSI ( resid 8 and name HA )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 35 weight 0.11000E+01 volume 19.12320 ppm1 5.5034442 ppm2 1.6128938
  OR ( resid 8 and name HA )
     ( resid 1 and name HG )
ASSI ( resid 30 and name HA )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 36 weight 0.11000E+01 volume 45.61230 ppm1 5.5040197 ppm2 1.5272818
  OR ( resid 30 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 30 and name HA )
     ( resid 27 and name HB2 )
  OR ( resid 30 and name HA )
     ( resid 27 and name HB1 )
  OR ( resid 8 and name HA )
     ( resid 19 and name HD2 )
  OR ( resid 8 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 8 and name HA )
     ( resid 27 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 27 and name HB1 )
ASSI ( resid 30 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 37 weight 0.11000E+01 volume 64.19880 ppm1 5.5068979 ppm2 1.3717071
ASSI ( resid 30 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 38 weight 0.11000E+01 volume 24.92040 ppm1 5.5030675 ppm2 1.2949640
ASSI ( resid 22 and name HA )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 39 weight 0.11000E+01 volume 8.61320 ppm1 5.0513954 ppm2 1.5393754
ASSI ( resid 22 and name HA )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 40 weight 0.11000E+01 volume 3.01840 ppm1 5.0521250 ppm2 1.3744688
ASSI ( resid 7 and name HA )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 41 weight 0.11000E+01 volume 4.90680 ppm1 4.9593964 ppm2 1.6156964
ASSI ( resid 7 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 42 weight 0.11000E+01 volume 4.30650 ppm1 4.9560304 ppm2 1.3751153
ASSI ( resid 30 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 43 weight 0.11000E+01 volume 45.22160 ppm1 5.5058656 ppm2 1.1197463
  OR ( resid 30 and name HA )
     ( resid 27 and name HG2 )
  OR ( resid 8 and name HA )
     ( resid 17 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 27 and name HG2 )
ASSI ( resid 30 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 44 weight 0.11000E+01 volume 41.11820 ppm1 5.5058656 ppm2 0.8557388
  OR ( resid 30 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 30 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 30 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 45 weight 0.11000E+01 volume 7.78920 ppm1 5.5036960 ppm2 0.7915496
ASSI ( resid 30 and name HA )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 46 weight 0.11000E+01 volume 92.55320 ppm1 5.5057087 ppm2 0.5537382
  OR ( resid 30 and name HA )
     ( resid 20 and name HG21 )
  OR ( resid 30 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 22 and name HA )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 47 weight 0.11000E+01 volume 2.40350 ppm1 5.0470357 ppm2 0.5519221
  OR ( resid 22 and name HA )
     ( resid 20 and name HG23 )
  OR ( resid 22 and name HA )
     ( resid 20 and name HG21 )
ASSI ( resid 30 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 29.44600 ppm1 5.5077209 ppm2 0.3288830
  OR ( resid 30 and name HA )
     ( resid 17 and name HD13 )
  OR ( resid 30 and name HA )
     ( resid 17 and name HD12 )
ASSI ( resid 30 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 49 weight 0.11000E+01 volume 11.15300 ppm1 5.5077209 ppm2 0.0699328
  OR ( resid 30 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 9 and name HA )
     ( resid 10 and name HA )
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ASSI ( resid 27 and name HA )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 51 weight 0.11000E+01 volume 140.36771 ppm1 4.7180796 ppm2 4.5224319
ASSI ( resid 32 and name HA )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 52 weight 0.11000E+01 volume 80.74980 ppm1 4.6599617 ppm2 4.5252500
ASSI ( resid 13 and name HA )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 53 weight 0.11000E+01 volume 11.50720 ppm1 4.8282738 ppm2 4.4248981
ASSI ( resid 23 and name HA )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 54 weight 0.11000E+01 volume 55.61750 ppm1 4.8270750 ppm2 4.2092028
  OR ( resid 23 and name HA )
     ( resid 6 and name HA1 )
  OR ( resid 31 and name HA )
     ( resid 24 and name HA )
  OR ( resid 31 and name HA )
     ( resid 6 and name HA1 )
ASSI ( resid 23 and name HA )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 55 weight 0.11000E+01 volume 20.75400 ppm1 4.8548861 ppm2 4.2546043
ASSI ( resid 34 and name HA )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 56 weight 0.11000E+01 volume 14.45660 ppm1 4.7132053 ppm2 4.2331395
ASSI ( resid 32 and name HA )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 57 weight 0.11000E+01 volume 20.66180 ppm1 4.6588974 ppm2 4.2343302
ASSI ( resid 3 and name HA )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 58 weight 0.11000E+01 volume 26.16500 ppm1 4.5988755 ppm2 4.0600152
ASSI ( resid 35 and name HA )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 59 weight 0.11000E+01 volume 9.79600 ppm1 4.7832718 ppm2 4.0688696
ASSI ( resid 19 and name HA )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 60 weight 0.11000E+01 volume 21.71330 ppm1 4.7938290 ppm2 4.3753581
ASSI ( resid 20 and name HA )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 61 weight 0.11000E+01 volume 16.36260 ppm1 4.5731316 ppm2 4.3062367
ASSI ( resid 2 and name HA )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 62 weight 0.11000E+01 volume 50.16180 ppm1 4.8282466 ppm2 3.9387419
ASSI ( resid 2 and name HA )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 63 weight 0.11000E+01 volume 50.24960 ppm1 4.8257570 ppm2 3.8815649
  OR ( resid 2 and name HA )
     ( resid 5 and name HA2 )
  OR ( resid 31 and name HA )
     ( resid 7 and name HB1 )
  OR ( resid 31 and name HA )
     ( resid 5 and name HA2 )
ASSI ( resid 23 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 64 weight 0.11000E+01 volume 29.94490 ppm1 4.8488355 ppm2 3.7694819
ASSI ( resid 28 and name HA )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 65 weight 0.11000E+01 volume 48.87530 ppm1 4.7048287 ppm2 3.8900275
ASSI ( resid 2 and name HA )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 66 weight 0.11000E+01 volume 90.72320 ppm1 4.8247194 ppm2 3.7922347
  OR ( resid 2 and name HA )
     ( resid 6 and name HA2 )
  OR ( resid 31 and name HA )
     ( resid 7 and name HB2 )
  OR ( resid 31 and name HA )
     ( resid 6 and name HA2 )
ASSI ( resid 32 and name HA )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 67 weight 0.11000E+01 volume 374.76559 ppm1 4.6593218 ppm2 3.8689983
ASSI ( resid 17 and name HA )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 68 weight 0.11000E+01 volume 138.28641 ppm1 4.5248995 ppm2 3.8666975
ASSI ( resid 10 and name HA )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 69 weight 0.11000E+01 volume 12.06760 ppm1 4.5177302 ppm2 3.9783924
ASSI ( resid 28 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 70 weight 0.11000E+01 volume 29.56270 ppm1 4.7047467 ppm2 3.7695713
ASSI ( resid 29 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 71 weight 0.11000E+01 volume 37.05740 ppm1 4.8247194 ppm2 3.6460929
  OR ( resid 29 and name HA )
     ( resid 28 and name HB1 )
  OR ( resid 13 and name HA )
     ( resid 28 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 28 and name HB1 )
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 424.51221 ppm1 4.7034879 ppm2 3.6491954
  OR ( resid 28 and name HA )
     ( resid 28 and name HB2 )
ASSI ( resid 19 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 73 weight 0.11000E+01 volume 34.39550 ppm1 4.7985005 ppm2 3.6466725
  OR ( resid 19 and name HA )
     ( resid 28 and name HB1 )
ASSI ( resid 23 and name HA )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 15.28800 ppm1 4.8550553 ppm2 3.3703697
  OR ( resid 23 and name HA )
     ( resid 3 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 25 and name HA2 )
  OR ( resid 29 and name HA )
     ( resid 3 and name HB1 )
ASSI ( resid 29 and name HA )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 12.55180 ppm1 4.8126688 ppm2 3.3701975
ASSI ( resid 9 and name HA )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 253.14000 ppm1 4.7720838 ppm2 3.2993042
ASSI ( resid 2 and name HA )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 543.44562 ppm1 4.8253331 ppm2 3.1023145
  OR ( resid 2 and name HA )
     ( resid 14 and name HD1 )
  OR ( resid 13 and name HA )
     ( resid 2 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 14 and name HD1 )
ASSI ( resid 23 and name HA )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 78 weight 0.11000E+01 volume 398.83939 ppm1 4.8558435 ppm2 3.1860855
  OR ( resid 23 and name HA )
     ( resid 23 and name HB1 )
ASSI ( resid 2 and name HA )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 209.39101 ppm1 4.8276358 ppm2 3.2293518
ASSI ( resid 13 and name HA )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 30.90810 ppm1 4.8249512 ppm2 3.3044066
ASSI ( resid 34 and name HA )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 608.01868 ppm1 4.7145929 ppm2 3.3025596
  OR ( resid 34 and name HA )
     ( resid 34 and name HB2 )
ASSI ( resid 32 and name HA )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 259.12909 ppm1 4.6589665 ppm2 3.3499541
ASSI ( resid 9 and name HA )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 32.71170 ppm1 4.7706265 ppm2 3.1095881
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 231.10480 ppm1 4.5983281 ppm2 3.3737428
ASSI ( resid 3 and name HA )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 22.15840 ppm1 4.5980387 ppm2 3.2255268
ASSI ( resid 10 and name HA )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 14.52220 ppm1 4.5202308 ppm2 3.4411829
ASSI ( resid 17 and name HA )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 61.35540 ppm1 4.5263505 ppm2 3.3427286
ASSI ( resid 17 and name HA )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 20.01440 ppm1 4.5214124 ppm2 3.2217259
ASSI ( resid 3 and name HA )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 21.64020 ppm1 4.6021810 ppm2 3.0924726
ASSI ( resid 9 and name HA )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 223.27400 ppm1 4.7726865 ppm2 2.9808462
ASSI ( resid 23 and name HA )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 16.45480 ppm1 4.8562193 ppm2 2.9767206
ASSI ( resid 13 and name HA )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 369.51569 ppm1 4.8257518 ppm2 2.8537066
  OR ( resid 13 and name HA )
     ( resid 8 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 14 and name HD2 )
  OR ( resid 29 and name HA )
     ( resid 8 and name HB1 )
ASSI ( resid 27 and name HA )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 28.23980 ppm1 4.7175798 ppm2 3.0213509
ASSI ( resid 27 and name HA )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 73.13890 ppm1 4.7181749 ppm2 2.7624803
  OR ( resid 27 and name HA )
     ( resid 27 and name HD1 )
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 255.53610 ppm1 4.5985475 ppm2 2.8324630
ASSI ( resid 10 and name HA )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 96 weight 0.11000E+01 volume 46.78330 ppm1 4.5212436 ppm2 2.7633574
  OR ( resid 10 and name HA )
     ( resid 27 and name HD2 )
ASSI ( resid 14 and name HA )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 21.99840 ppm1 4.4260478 ppm2 2.8550582
ASSI ( resid 26 and name HA )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 373.51160 ppm1 4.4465146 ppm2 3.3320909
ASSI ( resid 26 and name HA )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 224.32471 ppm1 4.4483538 ppm2 3.2035930
ASSI ( resid 14 and name HA )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 28.14090 ppm1 4.4251299 ppm2 3.1125057
ASSI ( resid 10 and name HA )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 236.67390 ppm1 4.5219502 ppm2 3.1225443
ASSI ( resid 10 and name HA )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 255.83411 ppm1 4.5218635 ppm2 3.0147660
ASSI ( resid 13 and name HA )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 58.15220 ppm1 4.8226576 ppm2 2.9794383
  OR ( resid 13 and name HA )
     ( resid 4 and name HE2 )
  OR ( resid 13 and name HA )
     ( resid 4 and name HE1 )
  OR ( resid 2 and name HA )
     ( resid 9 and name HB2 )
  OR ( resid 2 and name HA )
     ( resid 4 and name HE2 )
  OR ( resid 2 and name HA )
     ( resid 4 and name HE1 )
ASSI ( resid 27 and name HA )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 28.69450 ppm1 4.7162189 ppm2 3.1226125
ASSI ( resid 28 and name HA )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 184.49921 ppm1 4.7042756 ppm2 2.9108353
  OR ( resid 28 and name HA )
     ( resid 19 and name HE1 )
ASSI ( resid 35 and name HA )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 321.14081 ppm1 4.7830439 ppm2 2.7328858
ASSI ( resid 35 and name HA )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 299.68201 ppm1 4.7843285 ppm2 2.5722311
ASSI ( resid 31 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 70.35670 ppm1 4.8228645 ppm2 2.6282489
  OR ( resid 31 and name HA )
     ( resid 30 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 30 and name HB2 )
  OR ( resid 29 and name HA )
     ( resid 30 and name HB1 )
  OR ( resid 13 and name HA )
     ( resid 30 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 30 and name HB1 )
ASSI ( resid 29 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 161.33800 ppm1 4.8145146 ppm2 2.4686511
ASSI ( resid 23 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 14.08850 ppm1 4.8556199 ppm2 2.4697080
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 164.62820 ppm1 4.6581283 ppm2 2.5545516
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 112 weight 0.11000E+01 volume 214.52090 ppm1 4.6582518 ppm2 2.6203241
ASSI ( resid 29 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 113 weight 0.11000E+01 volume 141.76151 ppm1 4.8106613 ppm2 2.3904374
ASSI ( resid 13 and name HA )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 114 weight 0.11000E+01 volume 445.26089 ppm1 4.8235068 ppm2 2.5267828
  OR ( resid 13 and name HA )
     ( resid 13 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 8 and name HB2 )
  OR ( resid 29 and name HA )
     ( resid 13 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 13 and name HB2 )
  OR ( resid 29 and name HA )
     ( resid 8 and name HB2 )
ASSI ( resid 17 and name HA )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 115 weight 0.11000E+01 volume 42.61620 ppm1 4.5245953 ppm2 2.6136222
  OR ( resid 17 and name HA )
     ( resid 32 and name HB1 )
ASSI ( resid 20 and name HA )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 116 weight 0.11000E+01 volume 530.52917 ppm1 4.5652218 ppm2 2.3414826
ASSI ( resid 27 and name HA )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 117 weight 0.11000E+01 volume 13.10040 ppm1 4.7156057 ppm2 2.5151563
ASSI ( resid 17 and name HA )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 118 weight 0.11000E+01 volume 30.99940 ppm1 4.5245953 ppm2 2.5276010
ASSI ( resid 3 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 119 weight 0.11000E+01 volume 14.35550 ppm1 4.5993176 ppm2 2.4616897
ASSI ( resid 13 and name HA )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 120 weight 0.11000E+01 volume 9.08150 ppm1 4.8236780 ppm2 2.2944038
ASSI ( resid 19 and name HA )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 121 weight 0.11000E+01 volume 199.65930 ppm1 4.7907319 ppm2 1.9052905
ASSI ( resid 34 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 122 weight 0.11000E+01 volume 21.59430 ppm1 4.7141037 ppm2 1.8611276
ASSI ( resid 32 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 123 weight 0.11000E+01 volume 80.19170 ppm1 4.6588278 ppm2 1.8682785
  OR ( resid 32 and name HA )
     ( resid 33 and name HG1 )
ASSI ( resid 17 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 124 weight 0.11000E+01 volume 41.03210 ppm1 4.5246191 ppm2 1.8644568
  OR ( resid 17 and name HA )
     ( resid 33 and name HG1 )
ASSI ( resid 32 and name HA )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 125 weight 0.11000E+01 volume 5.34010 ppm1 4.6605420 ppm2 2.1292825
ASSI ( resid 3 and name HA )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 126 weight 0.11000E+01 volume 7.09270 ppm1 4.6005230 ppm2 1.8085421
ASSI ( resid 3 and name HA )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 127 weight 0.11000E+01 volume 12.71450 ppm1 4.5982823 ppm2 1.7359699
ASSI ( resid 20 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 128 weight 0.11000E+01 volume 10.31570 ppm1 4.5659013 ppm2 1.6814103
ASSI ( resid 32 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 129 weight 0.11000E+01 volume 43.60630 ppm1 4.7053437 ppm2 1.7133259
ASSI ( resid 13 and name HA )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 130 weight 0.11000E+01 volume 120.83260 ppm1 4.8256688 ppm2 1.7258296
ASSI ( resid 19 and name HA )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 131 weight 0.11000E+01 volume 370.91409 ppm1 4.7919497 ppm2 1.6724120
  OR ( resid 19 and name HA )
     ( resid 18 and name HB )
ASSI ( resid 2 and name HA )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 132 weight 0.11000E+01 volume 40.21400 ppm1 4.8405337 ppm2 1.6144508
  OR ( resid 2 and name HA )
     ( resid 1 and name HB1 )
  OR ( resid 2 and name HA )
     ( resid 1 and name HG )
ASSI ( resid 19 and name HA )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 133 weight 0.11000E+01 volume 300.16440 ppm1 4.7914219 ppm2 1.5394422
  OR ( resid 19 and name HA )
     ( resid 19 and name HD2 )
ASSI ( resid 13 and name HA )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 134 weight 0.11000E+01 volume 57.66670 ppm1 4.8252192 ppm2 1.5334756
  OR ( resid 13 and name HA )
     ( resid 14 and name HG1 )
  OR ( resid 13 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 13 and name HA )
     ( resid 19 and name HD2 )
  OR ( resid 29 and name HA )
     ( resid 14 and name HG2 )
  OR ( resid 29 and name HA )
     ( resid 14 and name HG1 )
  OR ( resid 29 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 29 and name HA )
     ( resid 19 and name HD2 )
ASSI ( resid 23 and name HA )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 135 weight 0.11000E+01 volume 41.36460 ppm1 4.8495111 ppm2 1.5061997
  OR ( resid 23 and name HA )
     ( resid 27 and name HB2 )
ASSI ( resid 27 and name HA )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 136 weight 0.11000E+01 volume 186.14630 ppm1 4.7180176 ppm2 1.6067795
ASSI ( resid 10 and name HA )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 137 weight 0.11000E+01 volume 113.74250 ppm1 4.5218062 ppm2 1.6054580
ASSI ( resid 10 and name HA )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 138 weight 0.11000E+01 volume 68.72540 ppm1 4.5213675 ppm2 1.4907416
  OR ( resid 10 and name HA )
     ( resid 27 and name HB1 )
ASSI ( resid 27 and name HA )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 139 weight 0.11000E+01 volume 296.68661 ppm1 4.7100039 ppm2 1.4901326
  OR ( resid 27 and name HA )
     ( resid 27 and name HB1 )
  OR ( resid 28 and name HA )
     ( resid 27 and name HB2 )
  OR ( resid 28 and name HA )
     ( resid 27 and name HB1 )
ASSI ( resid 28 and name HA )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 140 weight 0.11000E+01 volume 30.16770 ppm1 4.7088242 ppm2 1.3717268
  OR ( resid 28 and name HA )
     ( resid 19 and name HG1 )
ASSI ( resid 31 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 141 weight 0.11000E+01 volume 952.66937 ppm1 4.8241057 ppm2 1.3730594
  OR ( resid 31 and name HA )
     ( resid 18 and name HG11 )
ASSI ( resid 13 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 142 weight 0.11000E+01 volume 29.84010 ppm1 4.8272028 ppm2 1.2905613
  OR ( resid 31 and name HA )
     ( resid 17 and name HB1 )
ASSI ( resid 19 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 143 weight 0.11000E+01 volume 25.24030 ppm1 4.7830515 ppm2 1.2823445
  OR ( resid 19 and name HA )
     ( resid 36 and name HB1 )
  OR ( resid 35 and name HA )
     ( resid 17 and name HB1 )
  OR ( resid 35 and name HA )
     ( resid 36 and name HB1 )
ASSI ( resid 34 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 144 weight 0.11000E+01 volume 5.80240 ppm1 4.7142096 ppm2 1.2832156
ASSI ( resid 32 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 145 weight 0.11000E+01 volume 10.67370 ppm1 4.6562333 ppm2 1.2870458
  OR ( resid 32 and name HA )
     ( resid 17 and name HB1 )
ASSI ( resid 32 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 146 weight 0.11000E+01 volume 32.07260 ppm1 4.6581597 ppm2 1.3713155
  OR ( resid 32 and name HA )
     ( resid 18 and name HG11 )
ASSI ( resid 3 and name HA )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 147 weight 0.11000E+01 volume 10.74050 ppm1 4.5987220 ppm2 1.3558414
ASSI ( resid 3 and name HA )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 148 weight 0.11000E+01 volume 14.79820 ppm1 4.6005287 ppm2 1.4381814
ASSI ( resid 32 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 149 weight 0.11000E+01 volume 7.23870 ppm1 4.6559429 ppm2 1.1177518
ASSI ( resid 27 and name HA )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 150 weight 0.11000E+01 volume 224.36230 ppm1 4.7179894 ppm2 1.1131887
ASSI ( resid 9 and name HA )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 151 weight 0.11000E+01 volume 13.48310 ppm1 4.7736259 ppm2 1.1158143
ASSI ( resid 13 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 152 weight 0.11000E+01 volume 21.52240 ppm1 4.8248386 ppm2 1.1215079
ASSI ( resid 19 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 153 weight 0.11000E+01 volume 39.41330 ppm1 4.7939196 ppm2 0.8526930
  OR ( resid 19 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 19 and name HA )
     ( resid 20 and name HG13 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG11 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 19 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 154 weight 0.11000E+01 volume 15.27130 ppm1 4.7953038 ppm2 0.7939817
ASSI ( resid 32 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 155 weight 0.11000E+01 volume 7.44290 ppm1 4.6563983 ppm2 0.9686835
ASSI ( resid 32 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 156 weight 0.11000E+01 volume 10.21270 ppm1 4.6545520 ppm2 0.8433851
  OR ( resid 32 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 32 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 32 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 157 weight 0.11000E+01 volume 14.10200 ppm1 4.6563983 ppm2 0.7982777
ASSI ( resid 19 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 158 weight 0.11000E+01 volume 7.95190 ppm1 4.7962270 ppm2 0.7352704
ASSI ( resid 32 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 159 weight 0.11000E+01 volume 8.16690 ppm1 4.6577826 ppm2 0.7352704
ASSI ( resid 32 and name HA )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 160 weight 0.11000E+01 volume 24.14400 ppm1 4.6601110 ppm2 0.9075515
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 161 weight 0.11000E+01 volume 553.13910 ppm1 4.5651565 ppm2 0.8525496
  OR ( resid 20 and name HA )
     ( resid 20 and name HG13 )
  OR ( resid 20 and name HA )
     ( resid 20 and name HG12 )
ASSI ( resid 3 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 162 weight 0.11000E+01 volume 25.38850 ppm1 4.5953016 ppm2 0.5531359
  OR ( resid 3 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 3 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 31 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 163 weight 0.11000E+01 volume 47.60520 ppm1 4.8307710 ppm2 0.5539656
  OR ( resid 31 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 19 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 164 weight 0.11000E+01 volume 89.29780 ppm1 4.8001280 ppm2 0.5523063
  OR ( resid 19 and name HA )
     ( resid 20 and name HG23 )
  OR ( resid 19 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 29 and name HA )
     ( resid 20 and name HG21 )
  OR ( resid 29 and name HA )
     ( resid 20 and name HG23 )
  OR ( resid 29 and name HA )
     ( resid 20 and name HG22 )
ASSI ( resid 19 and name HA )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 165 weight 0.11000E+01 volume 5.52680 ppm1 4.7841144 ppm2 0.3307354
ASSI ( resid 32 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 166 weight 0.11000E+01 volume 20.57760 ppm1 4.6575017 ppm2 0.3294626
  OR ( resid 32 and name HA )
     ( resid 17 and name HD13 )
  OR ( resid 32 and name HA )
     ( resid 17 and name HD12 )
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 167 weight 0.11000E+01 volume 120.17800 ppm1 4.5662713 ppm2 0.5547952
  OR ( resid 20 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 13 and name HA )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 168 weight 0.11000E+01 volume 72.36680 ppm1 4.8257098 ppm2 0.3287271
  OR ( resid 13 and name HA )
     ( resid 17 and name HD13 )
  OR ( resid 13 and name HA )
     ( resid 17 and name HD11 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD12 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD13 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD11 )
ASSI ( resid 32 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 169 weight 0.11000E+01 volume 252.85091 ppm1 4.6593251 ppm2 0.0722451
  OR ( resid 32 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 31 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 170 weight 0.11000E+01 volume 55.86600 ppm1 4.8285966 ppm2 0.0706590
  OR ( resid 31 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 14 and name HA )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 171 weight 0.11000E+01 volume 25.30830 ppm1 4.4226103 ppm2 3.9538949
ASSI ( resid 26 and name HA )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 172 weight 0.11000E+01 volume 17.18200 ppm1 4.4519000 ppm2 3.8938599
ASSI ( resid 21 and name HA1 )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 173 weight 0.11000E+01 volume 1033.76770 ppm1 4.3335228 ppm2 4.0342169
ASSI ( resid 26 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 174 weight 0.11000E+01 volume 19.08720 ppm1 4.4477005 ppm2 3.7631404
ASSI ( resid 14 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 175 weight 0.11000E+01 volume 19.45520 ppm1 4.4250479 ppm2 3.6955285
  OR ( resid 14 and name HA )
     ( resid 15 and name HB1 )
ASSI ( resid 16 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 176 weight 0.11000E+01 volume 11.31740 ppm1 4.2974658 ppm2 3.6822448
  OR ( resid 16 and name HA )
     ( resid 15 and name HB1 )
ASSI ( resid 6 and name HA1 )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 177 weight 0.11000E+01 volume 928.77972 ppm1 4.2042608 ppm2 3.8064067
ASSI ( resid 5 and name HA1 )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 178 weight 0.11000E+01 volume 1626.20056 ppm1 3.9954004 ppm2 3.8787446
ASSI ( resid 16 and name HA )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 179 weight 0.11000E+01 volume 236.42239 ppm1 4.3002157 ppm2 3.4636743
ASSI ( resid 33 and name HA )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 180 weight 0.11000E+01 volume 26.38030 ppm1 4.2396712 ppm2 3.3535933
ASSI ( resid 16 and name HA )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 181 weight 0.11000E+01 volume 344.10840 ppm1 4.3019047 ppm2 3.2149298
ASSI ( resid 11 and name HA1 )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 182 weight 0.11000E+01 volume 1378.20374 ppm1 3.9803665 ppm2 3.4252379
ASSI ( resid 24 and name HA )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 183 weight 0.11000E+01 volume 307.10641 ppm1 4.2549944 ppm2 3.0747375
ASSI ( resid 24 and name HA )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 184 weight 0.11000E+01 volume 255.21651 ppm1 4.2545562 ppm2 2.9758103
ASSI ( resid 21 and name HA1 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 185 weight 0.11000E+01 volume 9.33280 ppm1 4.3327193 ppm2 2.9020758
ASSI ( resid 4 and name HA )
     ( resid 4 and name HE2 )
     6.0 0.1 0.1 peak 186 weight 0.11000E+01 volume 11.31810 ppm1 4.0596175 ppm2 2.9831986
  OR ( resid 4 and name HA )
     ( resid 4 and name HE1 )
ASSI ( resid 36 and name HA )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 187 weight 0.11000E+01 volume 6.40010 ppm1 4.0721045 ppm2 2.7259037
ASSI ( resid 21 and name HA2 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 188 weight 0.11000E+01 volume 24.33270 ppm1 4.0312200 ppm2 2.8992460
ASSI ( resid 14 and name HA )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 189 weight 0.11000E+01 volume 7.60510 ppm1 4.4233212 ppm2 2.5264387
ASSI ( resid 18 and name HA )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 190 weight 0.11000E+01 volume 32.62790 ppm1 4.3737183 ppm2 2.5250812
ASSI ( resid 21 and name HA1 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 191 weight 0.11000E+01 volume 26.54050 ppm1 4.3300171 ppm2 2.4605820
ASSI ( resid 21 and name HA1 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 192 weight 0.11000E+01 volume 40.36060 ppm1 4.3310733 ppm2 2.3908923
ASSI ( resid 14 and name HA )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 193 weight 0.11000E+01 volume 472.62689 ppm1 4.4245443 ppm2 2.2938242
ASSI ( resid 33 and name HA )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 194 weight 0.11000E+01 volume 413.25171 ppm1 4.2301197 ppm2 2.1300781
  OR ( resid 33 and name HA )
     ( resid 33 and name HB2 )
ASSI ( resid 18 and name HA )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 195 weight 0.11000E+01 volume 18.12700 ppm1 4.3749042 ppm2 1.8933692
ASSI ( resid 36 and name HA )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 196 weight 0.11000E+01 volume 5.90370 ppm1 4.0710931 ppm2 2.5760837
ASSI ( resid 21 and name HA2 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 197 weight 0.11000E+01 volume 6.98080 ppm1 4.0308967 ppm2 2.4614456
ASSI ( resid 21 and name HA2 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 198 weight 0.11000E+01 volume 10.66600 ppm1 4.0297642 ppm2 2.3923128
ASSI ( resid 21 and name HA2 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 199 weight 0.11000E+01 volume 11.70820 ppm1 4.0320287 ppm2 2.3459325
ASSI ( resid 33 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 200 weight 0.11000E+01 volume 344.01120 ppm1 4.2307911 ppm2 1.8586936
  OR ( resid 33 and name HA )
     ( resid 33 and name HG1 )
ASSI ( resid 4 and name HA )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 201 weight 0.11000E+01 volume 182.63850 ppm1 4.0599365 ppm2 1.4382488
ASSI ( resid 14 and name HA )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 202 weight 0.11000E+01 volume 329.39090 ppm1 4.4246759 ppm2 1.7285426
ASSI ( resid 18 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 203 weight 0.11000E+01 volume 366.60040 ppm1 4.3746476 ppm2 1.6740941
  OR ( resid 18 and name HA )
     ( resid 19 and name HB2 )
ASSI ( resid 14 and name HA )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 204 weight 0.11000E+01 volume 51.71840 ppm1 4.4247775 ppm2 1.5299979
  OR ( resid 14 and name HA )
     ( resid 14 and name HG2 )
ASSI ( resid 33 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 205 weight 0.11000E+01 volume 30.95740 ppm1 4.2307367 ppm2 1.6743441
ASSI ( resid 4 and name HA )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 206 weight 0.11000E+01 volume 300.60660 ppm1 4.0606165 ppm2 1.8145506
ASSI ( resid 4 and name HA )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 207 weight 0.11000E+01 volume 486.41229 ppm1 4.0586271 ppm2 1.7427895
ASSI ( resid 4 and name HA )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 208 weight 0.11000E+01 volume 111.57410 ppm1 4.0616441 ppm2 1.3449427
ASSI ( resid 36 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 209 weight 0.11000E+01 volume 418.13760 ppm1 4.0681539 ppm2 1.2852641
ASSI ( resid 33 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 210 weight 0.11000E+01 volume 71.92720 ppm1 4.2307873 ppm2 1.2818879
ASSI ( resid 21 and name HA1 )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 211 weight 0.11000E+01 volume 23.81760 ppm1 4.3352165 ppm2 1.3728094
ASSI ( resid 6 and name HA1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 212 weight 0.11000E+01 volume 45.11040 ppm1 4.1935177 ppm2 1.3724624
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 213 weight 0.11000E+01 volume 125.02500 ppm1 4.3733673 ppm2 1.3617287
ASSI ( resid 18 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 214 weight 0.11000E+01 volume 17.61870 ppm1 4.3705416 ppm2 1.2893339
ASSI ( resid 20 and name HA )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 215 weight 0.11000E+01 volume 40.65730 ppm1 4.5648470 ppm2 1.3691882
  OR ( resid 20 and name HA )
     ( resid 18 and name HG11 )
  OR ( resid 20 and name HA )
     ( resid 31 and name HB1 )
ASSI ( resid 17 and name HA )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 55.69010 ppm1 4.5241861 ppm2 1.3668883
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 217 weight 0.11000E+01 volume 168.33310 ppm1 4.5259700 ppm2 1.2945050
ASSI ( resid 33 and name HA )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 161.48759 ppm1 4.2274094 ppm2 1.3674458
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 572.54938 ppm1 4.5241289 ppm2 1.1163596
  OR ( resid 17 and name HA )
     ( resid 27 and name HG2 )
  OR ( resid 10 and name HA )
     ( resid 17 and name HB2 )
  OR ( resid 10 and name HA )
     ( resid 27 and name HG2 )
ASSI ( resid 18 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 220 weight 0.11000E+01 volume 8.54510 ppm1 4.3719964 ppm2 1.1250571
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 120.98720 ppm1 4.3728437 ppm2 0.9777853
ASSI ( resid 17 and name HA )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 129.72560 ppm1 4.5250139 ppm2 0.9076880
ASSI ( resid 17 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 223 weight 0.11000E+01 volume 26.90660 ppm1 4.5233059 ppm2 0.7916746
ASSI ( resid 17 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 14.43940 ppm1 4.5255661 ppm2 0.7379753
ASSI ( resid 17 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 225 weight 0.11000E+01 volume 31.56720 ppm1 4.5246620 ppm2 0.9713884
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 226 weight 0.11000E+01 volume 457.43451 ppm1 4.3746095 ppm2 0.7916746
ASSI ( resid 18 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 130.13200 ppm1 4.3725777 ppm2 0.7349594
ASSI ( resid 33 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 104.06990 ppm1 4.2307000 ppm2 0.9776956
ASSI ( resid 33 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 229 weight 0.11000E+01 volume 6.71950 ppm1 4.2267203 ppm2 0.8518954
  OR ( resid 33 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 33 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 33 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 71.61850 ppm1 4.2291794 ppm2 0.7933176
ASSI ( resid 33 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 202.33971 ppm1 4.2307029 ppm2 0.7373656
ASSI ( resid 20 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 6.40730 ppm1 4.5645790 ppm2 0.7357582
ASSI ( resid 20 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 14.86430 ppm1 4.5621753 ppm2 0.7866627
ASSI ( resid 21 and name HA1 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 45.94710 ppm1 4.3318725 ppm2 0.5515108
  OR ( resid 21 and name HA1 )
     ( resid 20 and name HG22 )
ASSI ( resid 17 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 387.90079 ppm1 4.5267124 ppm2 0.0718535
  OR ( resid 17 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 6 and name HA1 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 16.38030 ppm1 4.2073870 ppm2 0.5555339
  OR ( resid 6 and name HA1 )
     ( resid 20 and name HG21 )
  OR ( resid 6 and name HA1 )
     ( resid 20 and name HG22 )
ASSI ( resid 14 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 12.08930 ppm1 4.4235501 ppm2 0.3320722
  OR ( resid 14 and name HA )
     ( resid 17 and name HD12 )
  OR ( resid 14 and name HA )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 73.52370 ppm1 4.5241055 ppm2 0.3275533
  OR ( resid 17 and name HA )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HA )
     ( resid 17 and name HD13 )
ASSI ( resid 7 and name HB1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 2600.15967 ppm1 3.8880277 ppm2 3.7723346
  OR ( resid 7 and name HB1 )
     ( resid 22 and name HB2 )
  OR ( resid 22 and name HB1 )
     ( resid 7 and name HB2 )
  OR ( resid 22 and name HB1 )
     ( resid 22 and name HB2 )
ASSI ( resid 15 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 596.79742 ppm1 3.9549234 ppm2 3.6902230
  OR ( resid 15 and name HA )
     ( resid 15 and name HB1 )
ASSI ( resid 33 and name HD1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 36.53300 ppm1 3.8696160 ppm2 3.2284653
ASSI ( resid 33 and name HD1 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 701.85809 ppm1 3.8677747 ppm2 3.3521159
ASSI ( resid 25 and name HA1 )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 1613.82092 ppm1 3.7407343 ppm2 3.3743343
ASSI ( resid 28 and name HB2 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 47.85100 ppm1 3.6443799 ppm2 2.9772661
  OR ( resid 28 and name HB1 )
     ( resid 9 and name HB2 )
ASSI ( resid 22 and name HB1 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 9.29540 ppm1 3.8941648 ppm2 2.9048147
  OR ( resid 22 and name HB1 )
     ( resid 19 and name HE1 )
ASSI ( resid 33 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 43.37110 ppm1 3.8650486 ppm2 2.5567241
ASSI ( resid 28 and name HB2 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 8.86050 ppm1 3.6449625 ppm2 2.5214021
  OR ( resid 28 and name HB2 )
     ( resid 13 and name HB2 )
  OR ( resid 28 and name HB1 )
     ( resid 13 and name HB1 )
  OR ( resid 28 and name HB1 )
     ( resid 13 and name HB2 )
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 144.38800 ppm1 3.6462657 ppm2 2.9113770
  OR ( resid 28 and name HB1 )
     ( resid 19 and name HE1 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HE2 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HE1 )
ASSI ( resid 33 and name HD1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 38.93340 ppm1 3.8732710 ppm2 2.6208370
  OR ( resid 33 and name HD1 )
     ( resid 30 and name HB2 )
  OR ( resid 7 and name HB1 )
     ( resid 32 and name HB1 )
  OR ( resid 7 and name HB1 )
     ( resid 30 and name HB2 )
ASSI ( resid 33 and name HD1 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 58.80980 ppm1 3.8664913 ppm2 2.1300831
  OR ( resid 33 and name HD1 )
     ( resid 33 and name HB2 )
ASSI ( resid 33 and name HD1 )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 388.46729 ppm1 3.8682680 ppm2 1.8671800
  OR ( resid 33 and name HD1 )
     ( resid 33 and name HG2 )
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 15.49750 ppm1 3.6484103 ppm2 1.9064703
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 253 weight 0.11000E+01 volume 234.15379 ppm1 3.6464353 ppm2 1.7081889
ASSI ( resid 15 and name HA )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 20.97040 ppm1 3.9525285 ppm2 1.7293944
ASSI ( resid 1 and name HA )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 613.33398 ppm1 3.9362688 ppm2 1.6157577
  OR ( resid 1 and name HA )
     ( resid 1 and name HB1 )
  OR ( resid 1 and name HA )
     ( resid 1 and name HG )
ASSI ( resid 25 and name HA1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 19.72740 ppm1 3.7450874 ppm2 1.6060407
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 68.96620 ppm1 3.6473293 ppm2 1.3662143
  OR ( resid 28 and name HB1 )
     ( resid 19 and name HG1 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HG2 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HG1 )
ASSI ( resid 6 and name HA2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 96.86230 ppm1 3.8072779 ppm2 1.3722526
ASSI ( resid 33 and name HD1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 74.01180 ppm1 3.8724513 ppm2 1.3671952
  OR ( resid 33 and name HD1 )
     ( resid 18 and name HG11 )
  OR ( resid 5 and name HA2 )
     ( resid 31 and name HB1 )
  OR ( resid 5 and name HA2 )
     ( resid 18 and name HG11 )
ASSI ( resid 5 and name HA1 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 40.97070 ppm1 3.9920416 ppm2 1.3712412
  OR ( resid 5 and name HA1 )
     ( resid 31 and name HB1 )
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 195.75101 ppm1 3.6471589 ppm2 1.5394787
  OR ( resid 28 and name HB1 )
     ( resid 19 and name HD1 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HD2 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HD1 )
ASSI ( resid 33 and name HD1 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 262 weight 0.11000E+01 volume 30.37550 ppm1 3.8680220 ppm2 0.9734569
ASSI ( resid 33 and name HD1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 263 weight 0.11000E+01 volume 21.61230 ppm1 3.8770695 ppm2 1.2847410
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HB1 )
ASSI ( resid 4 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 264 weight 0.11000E+01 volume 74.09640 ppm1 4.0685329 ppm2 0.8525339
  OR ( resid 4 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 4 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 33 and name HD1 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 265 weight 0.11000E+01 volume 33.85720 ppm1 3.8686264 ppm2 0.7924212
ASSI ( resid 33 and name HD1 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 266 weight 0.11000E+01 volume 16.16610 ppm1 3.8705530 ppm2 0.7337362
ASSI ( resid 4 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 267 weight 0.11000E+01 volume 21.38050 ppm1 4.0584235 ppm2 0.5506811
  OR ( resid 4 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 4 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 5 and name HA1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 268 weight 0.11000E+01 volume 62.88430 ppm1 3.9900339 ppm2 0.5525677
  OR ( resid 5 and name HA1 )
     ( resid 20 and name HG23 )
  OR ( resid 5 and name HA1 )
     ( resid 20 and name HG22 )
ASSI ( resid 33 and name HD1 )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 269 weight 0.11000E+01 volume 32.41860 ppm1 3.8716900 ppm2 0.5535110
  OR ( resid 33 and name HD1 )
     ( resid 20 and name HG23 )
  OR ( resid 33 and name HD1 )
     ( resid 20 and name HG21 )
  OR ( resid 5 and name HA2 )
     ( resid 20 and name HG22 )
  OR ( resid 5 and name HA2 )
     ( resid 20 and name HG23 )
  OR ( resid 5 and name HA2 )
     ( resid 20 and name HG21 )
ASSI ( resid 6 and name HA2 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 270 weight 0.11000E+01 volume 28.51950 ppm1 3.8080580 ppm2 0.5506811
  OR ( resid 6 and name HA2 )
     ( resid 20 and name HG21 )
  OR ( resid 6 and name HA2 )
     ( resid 20 and name HG22 )
ASSI ( resid 33 and name HD1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 271 weight 0.11000E+01 volume 13.58180 ppm1 3.8749034 ppm2 0.3290029
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD12 )
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD13 )
ASSI ( resid 33 and name HD1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 272 weight 0.11000E+01 volume 86.03730 ppm1 3.8700154 ppm2 0.0720862
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD22 )
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HB1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 273 weight 0.11000E+01 volume 1488.64978 ppm1 3.4612412 ppm2 3.2196610
ASSI ( resid 9 and name HB1 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 274 weight 0.11000E+01 volume 666.15948 ppm1 3.2900827 ppm2 2.9788113
ASSI ( resid 3 and name HB1 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 275 weight 0.11000E+01 volume 888.77002 ppm1 3.3740048 ppm2 2.8327279
ASSI ( resid 33 and name HD2 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 276 weight 0.11000E+01 volume 38.20060 ppm1 3.3500454 ppm2 2.6161225
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 277 weight 0.11000E+01 volume 783.15472 ppm1 3.1115563 ppm2 2.8558545
ASSI ( resid 33 and name HD2 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 278 weight 0.11000E+01 volume 51.80090 ppm1 3.3485515 ppm2 2.5540812
ASSI ( resid 23 and name HB1 )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 279 weight 0.11000E+01 volume 115.46470 ppm1 3.1864445 ppm2 2.5120025
  OR ( resid 23 and name HB2 )
     ( resid 8 and name HB2 )
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 280 weight 0.11000E+01 volume 48.64260 ppm1 3.1102800 ppm2 2.2906988
ASSI ( resid 14 and name HD1 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 281 weight 0.11000E+01 volume 114.96200 ppm1 3.1123068 ppm2 2.5241590
  OR ( resid 14 and name HD1 )
     ( resid 13 and name HB2 )
ASSI ( resid 3 and name HB1 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 282 weight 0.11000E+01 volume 31.21180 ppm1 3.3774965 ppm2 2.4653211
ASSI ( resid 33 and name HD2 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 283 weight 0.11000E+01 volume 30.73370 ppm1 3.3472242 ppm2 2.1306005
  OR ( resid 33 and name HD2 )
     ( resid 33 and name HB2 )
ASSI ( resid 33 and name HD2 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 284 weight 0.11000E+01 volume 357.08249 ppm1 3.3483474 ppm2 1.8667480
  OR ( resid 33 and name HD2 )
     ( resid 33 and name HG1 )
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 285 weight 0.11000E+01 volume 330.44360 ppm1 3.1103725 ppm2 1.7302114
ASSI ( resid 23 and name HB2 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 286 weight 0.11000E+01 volume 545.95099 ppm1 3.1843739 ppm2 1.5057224
  OR ( resid 23 and name HB2 )
     ( resid 27 and name HB2 )
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HB1 )
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HB2 )
ASSI ( resid 23 and name HB2 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 287 weight 0.11000E+01 volume 72.68680 ppm1 3.1844342 ppm2 1.6106405
  OR ( resid 26 and name HB2 )
     ( resid 27 and name HG1 )
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HG1 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 288 weight 0.11000E+01 volume 21.16420 ppm1 3.1090143 ppm2 1.2959712
ASSI ( resid 16 and name HB2 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 289 weight 0.11000E+01 volume 19.85270 ppm1 3.2262418 ppm2 1.3398826
  OR ( resid 16 and name HB2 )
     ( resid 4 and name HG2 )
  OR ( resid 2 and name HB1 )
     ( resid 18 and name HG11 )
  OR ( resid 2 and name HB1 )
     ( resid 4 and name HG2 )
ASSI ( resid 23 and name HB2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 290 weight 0.11000E+01 volume 27.59890 ppm1 3.1869285 ppm2 1.1199168
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HG2 )
ASSI ( resid 25 and name HA2 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 291 weight 0.11000E+01 volume 10.01980 ppm1 3.3755553 ppm2 1.6084614
  OR ( resid 25 and name HA2 )
     ( resid 1 and name HB1 )
  OR ( resid 25 and name HA2 )
     ( resid 1 and name HB2 )
  OR ( resid 3 and name HB1 )
     ( resid 27 and name HG1 )
  OR ( resid 3 and name HB1 )
     ( resid 1 and name HB1 )
  OR ( resid 3 and name HB1 )
     ( resid 1 and name HB2 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 292 weight 0.11000E+01 volume 49.72700 ppm1 3.1177683 ppm2 1.1156943
  OR ( resid 14 and name HD1 )
     ( resid 27 and name HG2 )
  OR ( resid 10 and name HB1 )
     ( resid 17 and name HB2 )
  OR ( resid 10 and name HB1 )
     ( resid 27 and name HG2 )
ASSI ( resid 16 and name HB2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 293 weight 0.11000E+01 volume 29.35000 ppm1 3.2149172 ppm2 0.9092563
ASSI ( resid 24 and name HB1 )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 294 weight 0.11000E+01 volume 47.67100 ppm1 3.0840516 ppm2 0.9056764
  OR ( resid 24 and name HB1 )
     ( resid 1 and name HD21 )
  OR ( resid 24 and name HB1 )
     ( resid 1 and name HD22 )
ASSI ( resid 16 and name HB1 )
     ( resid 17 and name HD13 )
     6.0 0.1 0.1 peak 295 weight 0.11000E+01 volume 13.14120 ppm1 3.4630320 ppm2 0.3268373
  OR ( resid 16 and name HB1 )
     ( resid 17 and name HD11 )
ASSI ( resid 16 and name HB1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 296 weight 0.11000E+01 volume 22.75470 ppm1 3.4569805 ppm2 0.0690804
  OR ( resid 16 and name HB1 )
     ( resid 17 and name HD21 )
  OR ( resid 16 and name HB1 )
     ( resid 17 and name HD23 )
ASSI ( resid 33 and name HD2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 297 weight 0.11000E+01 volume 40.07930 ppm1 3.3488083 ppm2 0.0738537
  OR ( resid 33 and name HD2 )
     ( resid 17 and name HD22 )
  OR ( resid 33 and name HD2 )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HB2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 298 weight 0.11000E+01 volume 13.38580 ppm1 3.2171865 ppm2 0.3292239
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD13 )
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD11 )
ASSI ( resid 16 and name HB2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 299 weight 0.11000E+01 volume 13.63270 ppm1 3.2171865 ppm2 0.0738537
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD21 )
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD23 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 300 weight 0.11000E+01 volume 5.47070 ppm1 3.1106026 ppm2 0.0719002
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 301 weight 0.11000E+01 volume 103.12240 ppm1 3.1113317 ppm2 0.3292954
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD13 )
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD11 )
ASSI ( resid 8 and name HB1 )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 302 weight 0.11000E+01 volume 1583.10754 ppm1 2.8578513 ppm2 2.5149033
  OR ( resid 8 and name HB1 )
     ( resid 13 and name HB2 )
  OR ( resid 8 and name HB1 )
     ( resid 13 and name HB1 )
  OR ( resid 14 and name HD2 )
     ( resid 8 and name HB2 )
  OR ( resid 14 and name HD2 )
     ( resid 13 and name HB2 )
  OR ( resid 14 and name HD2 )
     ( resid 13 and name HB1 )
ASSI ( resid 35 and name HB1 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 303 weight 0.11000E+01 volume 1679.32764 ppm1 2.7313612 ppm2 2.5771182
ASSI ( resid 3 and name HB2 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 304 weight 0.11000E+01 volume 24.57910 ppm1 2.8335674 ppm2 2.3950062
ASSI ( resid 14 and name HD2 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 305 weight 0.11000E+01 volume 37.15250 ppm1 2.8527069 ppm2 2.2858686
ASSI ( resid 19 and name HE2 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 306 weight 0.11000E+01 volume 34.43750 ppm1 2.9001777 ppm2 1.9094961
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HB1 )
ASSI ( resid 14 and name HD2 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 307 weight 0.11000E+01 volume 188.20599 ppm1 2.8525500 ppm2 1.7277025
ASSI ( resid 8 and name HB1 )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 308 weight 0.11000E+01 volume 204.86850 ppm1 2.8581438 ppm2 1.6136816
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HB1 )
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HG )
  OR ( resid 8 and name HB1 )
     ( resid 27 and name HG1 )
ASSI ( resid 14 and name HD2 )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 309 weight 0.11000E+01 volume 194.65401 ppm1 2.8569283 ppm2 1.5302335
  OR ( resid 14 and name HD2 )
     ( resid 14 and name HG1 )
ASSI ( resid 19 and name HE2 )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 310 weight 0.11000E+01 volume 195.20930 ppm1 2.8994718 ppm2 1.5392721
  OR ( resid 19 and name HE2 )
     ( resid 19 and name HD1 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HD2 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HD1 )
ASSI ( resid 27 and name HD1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 311 weight 0.11000E+01 volume 329.43991 ppm1 2.7616811 ppm2 1.6087456
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HG )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HB2 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HB1 )
  OR ( resid 27 and name HD2 )
     ( resid 27 and name HG1 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HG )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HB2 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HB1 )
ASSI ( resid 4 and name HE2 )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 312 weight 0.11000E+01 volume 88.78710 ppm1 2.9849854 ppm2 1.3388170
  OR ( resid 4 and name HE1 )
     ( resid 4 and name HG2 )
ASSI ( resid 19 and name HE2 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 313 weight 0.11000E+01 volume 297.40811 ppm1 2.8976655 ppm2 1.3655132
  OR ( resid 19 and name HE2 )
     ( resid 19 and name HG1 )
  OR ( resid 19 and name HE2 )
     ( resid 18 and name HG11 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HG2 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HG1 )
  OR ( resid 19 and name HE1 )
     ( resid 18 and name HG11 )
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 314 weight 0.11000E+01 volume 221.98199 ppm1 3.1064739 ppm2 1.5286570
  OR ( resid 14 and name HD1 )
     ( resid 14 and name HG2 )
ASSI ( resid 4 and name HE1 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 315 weight 0.11000E+01 volume 94.19440 ppm1 2.9862509 ppm2 1.4347256
  OR ( resid 4 and name HE2 )
     ( resid 4 and name HG1 )
ASSI ( resid 35 and name HB1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 316 weight 0.11000E+01 volume 11.24930 ppm1 2.7369466 ppm2 1.2824582
ASSI ( resid 32 and name HB1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 317 weight 0.11000E+01 volume 260.54520 ppm1 2.6251636 ppm2 1.2947437
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HB1 )
  OR ( resid 30 and name HB1 )
     ( resid 36 and name HB1 )
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HB1 )
  OR ( resid 30 and name HB2 )
     ( resid 36 and name HB1 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HB1 )
ASSI ( resid 32 and name HB2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 318 weight 0.11000E+01 volume 95.50760 ppm1 2.5558131 ppm2 1.3692635
ASSI ( resid 30 and name HB1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 319 weight 0.11000E+01 volume 23.96250 ppm1 2.6288459 ppm2 1.3711501
  OR ( resid 30 and name HB2 )
     ( resid 31 and name HB1 )
ASSI ( resid 8 and name HB2 )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 320 weight 0.11000E+01 volume 128.31171 ppm1 2.5116251 ppm2 1.6165079
  OR ( resid 8 and name HB2 )
     ( resid 1 and name HB1 )
  OR ( resid 8 and name HB2 )
     ( resid 1 and name HG )
ASSI ( resid 13 and name HB1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 321 weight 0.11000E+01 volume 28.04680 ppm1 2.5238996 ppm2 1.7344191
ASSI ( resid 13 and name HB2 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 322 weight 0.11000E+01 volume 41.94880 ppm1 2.5251269 ppm2 1.6749918
  OR ( resid 13 and name HB1 )
     ( resid 19 and name HB2 )
ASSI ( resid 27 and name HD2 )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 323 weight 0.11000E+01 volume 423.93341 ppm1 2.7692740 ppm2 1.4950395
  OR ( resid 27 and name HD2 )
     ( resid 27 and name HB1 )
  OR ( resid 27 and name HD1 )
     ( resid 27 and name HB2 )
  OR ( resid 27 and name HD1 )
     ( resid 27 and name HB1 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 324 weight 0.11000E+01 volume 112.81670 ppm1 2.8557260 ppm2 1.2981420
ASSI ( resid 10 and name HB2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 325 weight 0.11000E+01 volume 58.32050 ppm1 3.0115609 ppm2 1.1131092
ASSI ( resid 8 and name HB1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 326 weight 0.11000E+01 volume 74.49560 ppm1 2.8571694 ppm2 0.8926180
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HD22 )
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HD23 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 327 weight 0.11000E+01 volume 55.55160 ppm1 2.8566074 ppm2 1.1215684
  OR ( resid 14 and name HD2 )
     ( resid 27 and name HG2 )
  OR ( resid 8 and name HB1 )
     ( resid 17 and name HB2 )
  OR ( resid 8 and name HB1 )
     ( resid 27 and name HG2 )
ASSI ( resid 27 and name HD2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 328 weight 0.11000E+01 volume 318.33170 ppm1 2.7570190 ppm2 1.1143678
  OR ( resid 27 and name HD1 )
     ( resid 27 and name HG2 )
ASSI ( resid 27 and name HD1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 329 weight 0.11000E+01 volume 58.11260 ppm1 2.7716053 ppm2 0.9103814
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD11 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD22 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD13 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD23 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD12 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD21 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD11 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD22 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD13 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD23 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD12 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 330 weight 0.11000E+01 volume 237.23700 ppm1 2.8556414 ppm2 0.3295208
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD13 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 331 weight 0.11000E+01 volume 17.68200 ppm1 2.8550060 ppm2 0.0710478
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HB1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 332 weight 0.11000E+01 volume 1395.13867 ppm1 2.2907610 ppm2 1.7425336
ASSI ( resid 14 and name HB1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 333 weight 0.11000E+01 volume 136.89951 ppm1 2.2871904 ppm2 1.5335187
  OR ( resid 14 and name HB1 )
     ( resid 14 and name HG2 )
ASSI ( resid 20 and name HB )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 334 weight 0.11000E+01 volume 38.99560 ppm1 2.3407910 ppm2 1.3711488
ASSI ( resid 13 and name HB2 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 335 weight 0.11000E+01 volume 206.80009 ppm1 2.5249538 ppm2 1.1209775
  OR ( resid 13 and name HB2 )
     ( resid 27 and name HG2 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HB2 )
  OR ( resid 13 and name HB1 )
     ( resid 27 and name HG2 )
  OR ( resid 8 and name HB2 )
     ( resid 17 and name HB2 )
  OR ( resid 8 and name HB2 )
     ( resid 27 and name HG2 )
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 336 weight 0.11000E+01 volume 430.51801 ppm1 2.6196401 ppm2 1.1230649
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HB2 )
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 337 weight 0.11000E+01 volume 12.64780 ppm1 2.6274900 ppm2 0.9086199
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HG )
ASSI ( resid 8 and name HB2 )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 338 weight 0.11000E+01 volume 218.83839 ppm1 2.5097837 ppm2 1.4995400
  OR ( resid 8 and name HB2 )
     ( resid 27 and name HB1 )
ASSI ( resid 13 and name HB2 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 339 weight 0.11000E+01 volume 370.72589 ppm1 2.5252278 ppm2 1.2961730
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HB1 )
ASSI ( resid 8 and name HB2 )
     ( resid 1 and name HD22 )
     6.0 0.1 0.1 peak 340 weight 0.11000E+01 volume 57.61810 ppm1 2.5126145 ppm2 0.8904814
  OR ( resid 8 and name HB2 )
     ( resid 1 and name HD23 )
ASSI ( resid 13 and name HB2 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 341 weight 0.11000E+01 volume 6.29070 ppm1 2.5283360 ppm2 0.7944245
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 342 weight 0.11000E+01 volume 353.35031 ppm1 2.6314244 ppm2 0.3307354
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD13 )
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD12 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD11 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD13 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD12 )
ASSI ( resid 13 and name HB2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 343 weight 0.11000E+01 volume 96.86450 ppm1 2.5259659 ppm2 0.3289654
  OR ( resid 13 and name HB2 )
     ( resid 17 and name HD13 )
  OR ( resid 13 and name HB2 )
     ( resid 17 and name HD11 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD12 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD13 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD11 )
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 344 weight 0.11000E+01 volume 174.39259 ppm1 2.6227515 ppm2 0.0736378
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD23 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD21 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD23 )
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HD21 )
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HD23 )
ASSI ( resid 13 and name HB1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 345 weight 0.11000E+01 volume 52.44670 ppm1 2.5298891 ppm2 0.0714630
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD23 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD21 )
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 346 weight 0.11000E+01 volume 1476.62720 ppm1 2.1294961 ppm2 1.8598341
  OR ( resid 33 and name HB2 )
     ( resid 33 and name HG1 )
  OR ( resid 33 and name HB1 )
     ( resid 33 and name HG2 )
  OR ( resid 33 and name HB1 )
     ( resid 33 and name HG1 )
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 347 weight 0.11000E+01 volume 1844.49451 ppm1 1.8999387 ppm2 1.6736763
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 348 weight 0.11000E+01 volume 233.68520 ppm1 1.8995590 ppm2 1.5416434
  OR ( resid 19 and name HB1 )
     ( resid 19 and name HD2 )
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 349 weight 0.11000E+01 volume 353.66971 ppm1 1.8986272 ppm2 1.3656156
  OR ( resid 19 and name HB1 )
     ( resid 19 and name HG2 )
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 350 weight 0.11000E+01 volume 26.58430 ppm1 2.1282647 ppm2 1.3580520
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 351 weight 0.11000E+01 volume 50.81000 ppm1 2.1283789 ppm2 0.9778028
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 352 weight 0.11000E+01 volume 52.39610 ppm1 2.1308076 ppm2 0.7936818
  OR ( resid 33 and name HB2 )
     ( resid 18 and name HG21 )
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 353 weight 0.11000E+01 volume 95.39160 ppm1 2.1309924 ppm2 0.7370628
ASSI ( resid 33 and name HG2 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 354 weight 0.11000E+01 volume 122.25730 ppm1 1.8658229 ppm2 0.7947432
  OR ( resid 33 and name HG1 )
     ( resid 18 and name HG21 )
ASSI ( resid 33 and name HG2 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 355 weight 0.11000E+01 volume 56.92580 ppm1 1.8616436 ppm2 0.9759977
  OR ( resid 33 and name HG1 )
     ( resid 18 and name HG12 )
ASSI ( resid 20 and name HB )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 356 weight 0.11000E+01 volume 746.52600 ppm1 2.3408742 ppm2 0.8527129
  OR ( resid 20 and name HB )
     ( resid 20 and name HG12 )
  OR ( resid 20 and name HB )
     ( resid 20 and name HG13 )
ASSI ( resid 29 and name HB1 )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 357 weight 0.11000E+01 volume 136.94620 ppm1 2.4558089 ppm2 0.5534972
  OR ( resid 29 and name HB1 )
     ( resid 20 and name HG21 )
  OR ( resid 29 and name HB1 )
     ( resid 20 and name HG23 )
ASSI ( resid 20 and name HB )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 358 weight 0.11000E+01 volume 757.90002 ppm1 2.3414154 ppm2 0.5534991
  OR ( resid 20 and name HB )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HB )
     ( resid 20 and name HG23 )
ASSI ( resid 33 and name HG2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 359 weight 0.11000E+01 volume 102.20230 ppm1 1.8634621 ppm2 0.7366811
  OR ( resid 33 and name HG1 )
     ( resid 18 and name HD11 )
ASSI ( resid 14 and name HB1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 360 weight 0.11000E+01 volume 26.84110 ppm1 2.2907708 ppm2 0.3276669
  OR ( resid 14 and name HB1 )
     ( resid 17 and name HD13 )
  OR ( resid 14 and name HB1 )
     ( resid 17 and name HD11 )
ASSI ( resid 33 and name HG1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 361 weight 0.11000E+01 volume 8.71330 ppm1 1.8649713 ppm2 0.0732627
  OR ( resid 33 and name HG1 )
     ( resid 17 and name HD22 )
ASSI ( resid 14 and name HB2 )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 362 weight 0.11000E+01 volume 1495.22009 ppm1 1.7203232 ppm2 1.5292479
  OR ( resid 14 and name HB2 )
     ( resid 14 and name HG1 )
ASSI ( resid 4 and name HB1 )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 363 weight 0.11000E+01 volume 271.64120 ppm1 1.8038464 ppm2 1.3404422
ASSI ( resid 4 and name HB1 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 364 weight 0.11000E+01 volume 171.71660 ppm1 1.8019910 ppm2 1.4386921
ASSI ( resid 27 and name HB1 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 365 weight 0.11000E+01 volume 411.52841 ppm1 1.4941071 ppm2 1.1219511
  OR ( resid 27 and name HB2 )
     ( resid 27 and name HG2 )
ASSI ( resid 33 and name HG2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 366 weight 0.11000E+01 volume 25.22200 ppm1 1.8622928 ppm2 1.2845153
ASSI ( resid 27 and name HG1 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 367 weight 0.11000E+01 volume 910.29712 ppm1 1.6045409 ppm2 1.1148605
ASSI ( resid 4 and name HB2 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 368 weight 0.11000E+01 volume 271.12390 ppm1 1.7379783 ppm2 1.4371805
ASSI ( resid 19 and name HB2 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 369 weight 0.11000E+01 volume 1268.86011 ppm1 1.6823152 ppm2 1.3540460
  OR ( resid 19 and name HB2 )
     ( resid 18 and name HG11 )
  OR ( resid 19 and name HB2 )
     ( resid 19 and name HG1 )
  OR ( resid 18 and name HB )
     ( resid 19 and name HG2 )
  OR ( resid 18 and name HB )
     ( resid 18 and name HG11 )
  OR ( resid 18 and name HB )
     ( resid 19 and name HG1 )
ASSI ( resid 19 and name HD1 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 370 weight 0.11000E+01 volume 1366.08179 ppm1 1.5381696 ppm2 1.3657925
  OR ( resid 19 and name HD1 )
     ( resid 19 and name HG1 )
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HG2 )
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HG1 )
ASSI ( resid 18 and name HB )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 371 weight 0.11000E+01 volume 173.34520 ppm1 1.6767489 ppm2 0.9837194
ASSI ( resid 18 and name HG11 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 372 weight 0.11000E+01 volume 1179.11963 ppm1 1.3556010 ppm2 0.9757866
ASSI ( resid 14 and name HB2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 373 weight 0.11000E+01 volume 55.59200 ppm1 1.7366306 ppm2 0.9052997
ASSI ( resid 4 and name HB1 )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 374 weight 0.11000E+01 volume 18.99540 ppm1 1.8122245 ppm2 0.8510110
  OR ( resid 4 and name HB1 )
     ( resid 20 and name HG12 )
  OR ( resid 4 and name HB1 )
     ( resid 20 and name HG11 )
ASSI ( resid 18 and name HB )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 375 weight 0.11000E+01 volume 52.93930 ppm1 1.6740412 ppm2 0.8543546
  OR ( resid 18 and name HB )
     ( resid 20 and name HG12 )
  OR ( resid 18 and name HB )
     ( resid 20 and name HG11 )
ASSI ( resid 18 and name HB )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 376 weight 0.11000E+01 volume 630.17023 ppm1 1.6724528 ppm2 0.7950500
ASSI ( resid 18 and name HB )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 377 weight 0.11000E+01 volume 257.17349 ppm1 1.6724944 ppm2 0.7363052
ASSI ( resid 1 and name HG )
     ( resid 1 and name HD11 )
     6.0 0.1 0.1 peak 378 weight 0.11000E+01 volume 743.32440 ppm1 1.6173320 ppm2 0.9291108
  OR ( resid 1 and name HG )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD13 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD11 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD13 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD11 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD13 )
ASSI ( resid 14 and name HG2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 379 weight 0.11000E+01 volume 72.54890 ppm1 1.5303404 ppm2 0.9000962
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HG )
ASSI ( resid 18 and name HG11 )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 380 weight 0.11000E+01 volume 540.53851 ppm1 1.3722428 ppm2 0.8521588
  OR ( resid 18 and name HG11 )
     ( resid 20 and name HG12 )
  OR ( resid 18 and name HG11 )
     ( resid 20 and name HG11 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG13 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG12 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG11 )
ASSI ( resid 1 and name HG )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 381 weight 0.11000E+01 volume 714.58228 ppm1 1.6165756 ppm2 0.8887426
  OR ( resid 1 and name HG )
     ( resid 1 and name HD21 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD22 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD23 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD21 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD22 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD23 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD21 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD22 )
ASSI ( resid 18 and name HG11 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 382 weight 0.11000E+01 volume 386.87830 ppm1 1.3586267 ppm2 0.7386231
ASSI ( resid 31 and name HB1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 383 weight 0.11000E+01 volume 350.49011 ppm1 1.3725767 ppm2 0.5534029
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG22 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG23 )
ASSI ( resid 18 and name HB )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 384 weight 0.11000E+01 volume 8.27600 ppm1 1.6695269 ppm2 0.5531814
  OR ( resid 18 and name HB )
     ( resid 20 and name HG22 )
  OR ( resid 18 and name HB )
     ( resid 20 and name HG23 )
ASSI ( resid 14 and name HB2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 385 weight 0.11000E+01 volume 194.17349 ppm1 1.7344433 ppm2 0.3295092
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD13 )
ASSI ( resid 14 and name HB2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 386 weight 0.11000E+01 volume 14.76030 ppm1 1.7335017 ppm2 0.0723452
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HG2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 387 weight 0.11000E+01 volume 7.94030 ppm1 1.5295841 ppm2 0.0731263
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD21 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD22 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HG2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 388 weight 0.11000E+01 volume 139.89630 ppm1 1.5320107 ppm2 0.3295931
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD13 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD12 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD13 )
  OR ( resid 19 and name HD2 )
     ( resid 17 and name HD12 )
  OR ( resid 19 and name HD2 )
     ( resid 17 and name HD11 )
  OR ( resid 19 and name HD2 )
     ( resid 17 and name HD13 )
  OR ( resid 19 and name HD1 )
     ( resid 17 and name HD12 )
  OR ( resid 19 and name HD1 )
     ( resid 17 and name HD11 )
  OR ( resid 19 and name HD1 )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HB1 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 389 weight 0.11000E+01 volume 618.89807 ppm1 1.2858365 ppm2 1.1197578
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 390 weight 0.11000E+01 volume 172.32750 ppm1 1.1201251 ppm2 0.9077789
ASSI ( resid 17 and name HB1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 391 weight 0.11000E+01 volume 236.61909 ppm1 1.2977648 ppm2 0.3280400
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 392 weight 0.11000E+01 volume 232.80710 ppm1 1.1210899 ppm2 0.3296028
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD13 )
ASSI ( resid 18 and name HG12 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 393 weight 0.11000E+01 volume 254.08350 ppm1 0.9755393 ppm2 0.7924581
ASSI ( resid 18 and name HG12 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 394 weight 0.11000E+01 volume 292.88541 ppm1 0.9727681 ppm2 0.7402536
ASSI ( resid 18 and name HG11 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 395 weight 0.11000E+01 volume 9.77070 ppm1 1.3677222 ppm2 0.0749917
  OR ( resid 18 and name HG11 )
     ( resid 17 and name HD21 )
  OR ( resid 18 and name HG11 )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HB1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 396 weight 0.11000E+01 volume 80.26610 ppm1 1.2961651 ppm2 0.0732286
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 397 weight 0.11000E+01 volume 166.00571 ppm1 1.1206702 ppm2 0.0722270
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HG )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 398 weight 0.11000E+01 volume 193.52260 ppm1 0.9043148 ppm2 0.0725008
  OR ( resid 17 and name HG )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HG )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HG )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 399 weight 0.11000E+01 volume 242.09070 ppm1 0.8993771 ppm2 0.3289398
  OR ( resid 17 and name HG )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HG )
     ( resid 17 and name HD13 )
ASSI ( resid 20 and name HG11 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 400 weight 0.11000E+01 volume 640.03571 ppm1 0.8512890 ppm2 0.5529509
  OR ( resid 20 and name HG11 )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HG11 )
     ( resid 20 and name HG23 )
  OR ( resid 20 and name HG12 )
     ( resid 20 and name HG21 )
  OR ( resid 20 and name HG12 )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HG12 )
     ( resid 20 and name HG23 )
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HG21 )
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HG23 )
ASSI ( resid 17 and name HD11 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 401 weight 0.11000E+01 volume 347.23331 ppm1 0.3276660 ppm2 0.0724337
  OR ( resid 17 and name HD11 )
     ( resid 17 and name HD23 )
  OR ( resid 17 and name HD11 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HD21 )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HD23 )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HD21 )
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HD23 )
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HD22 )
ASSI ( resid 33 and name HB2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 402 weight 0.11000E+01 volume 5.52330 ppm1 2.1267166 ppm2 1.2804011
  OR ( resid 33 and name HB1 )
     ( resid 36 and name HB1 )
ASSI ( resid 33 and name HD2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 403 weight 0.11000E+01 volume 14.44990 ppm1 3.3477759 ppm2 1.2773895
ASSI ( resid 33 and name HD2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 404 weight 0.11000E+01 volume 4.29760 ppm1 3.3515940 ppm2 0.7399163

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