NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
23851 |
2jyo   |
15596 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! derived from the 2D file(s):
! /home/scratch/dichan/NMR/mip-3a/Aria/h2o_may24_2007.xpk
ASSI ( resid 65 and name HA )
( resid 64 and name HA )
6.0 0.1 0.1 peak 0 weight 1.1 volume 25.02520 ppm1 10.08100 ppm2 9.90100
OR ( resid 63 and name HA )
( resid 64 and name HA )
ASSI ( resid 7 and name HN )
( resid 8 and name HN )
6.0 0.1 0.1 peak 1 weight 1.1 volume 61.37650 ppm1 10.17000 ppm2 9.15800
ASSI ( resid 49 and name HN )
( resid 39 and name HN )
6.0 0.1 0.1 peak 2 weight 1.1 volume 52.76450 ppm1 9.93100 ppm2 9.16900
ASSI ( resid 49 and name HN )
( resid 48 and name HN )
6.0 0.1 0.1 peak 3 weight 1.1 volume 62.44260 ppm1 9.92900 ppm2 9.08000
ASSI ( resid 49 and name HN )
( resid 50 and name HN )
6.0 0.1 0.1 peak 4 weight 1.1 volume 176.03040 ppm1 9.93000 ppm2 8.46800
OR ( resid 49 and name HN )
( resid 37 and name HN )
ASSI ( resid 55 and name HE1 )
( resid 55 and name HN )
6.0 0.1 0.1 peak 5 weight 1.1 volume 103.83000 ppm1 9.89800 ppm2 8.44100
ASSI ( resid 7 and name HN )
( resid 6 and name HN )
6.0 0.1 0.1 peak 6 weight 1.1 volume 230.82950 ppm1 10.17000 ppm2 8.02300
ASSI ( resid 55 and name HE1 )
( resid 55 and name HD1 )
6.0 0.1 0.1 peak 7 weight 1.1 volume 860.92877 ppm1 9.89800 ppm2 7.57500
ASSI ( resid 49 and name HN )
( resid 50 and name HD21 )
6.0 0.1 0.1 peak 8 weight 1.1 volume 102.14110 ppm1 9.92800 ppm2 6.86900
ASSI ( resid 55 and name HE1 )
( resid 55 and name HH2 )
6.0 0.1 0.1 peak 9 weight 1.1 volume 64.74810 ppm1 9.89900 ppm2 6.87600
ASSI ( resid 55 and name HE1 )
( resid 56 and name HN )
6.0 0.1 0.1 peak 10 weight 1.1 volume 24.38280 ppm1 9.89900 ppm2 5.78400
ASSI ( resid 49 and name HN )
( resid 49 and name HA )
6.0 0.1 0.1 peak 11 weight 1.1 volume 154.90440 ppm1 9.93100 ppm2 5.05400
ASSI ( resid 49 and name HN )
( resid 48 and name HA )
6.0 0.1 0.1 peak 12 weight 1.1 volume 648.34058 ppm1 9.93000 ppm2 4.82600
ASSI ( resid 49 and name HN )
( resid 38 and name HA )
6.0 0.1 0.1 peak 13 weight 1.1 volume 189.56950 ppm1 9.93200 ppm2 4.68400
ASSI ( resid 7 and name HN )
( resid 7 and name HA )
6.0 0.1 0.1 peak 14 weight 1.1 volume 239.48930 ppm1 10.17000 ppm2 4.57000
ASSI ( resid 7 and name HN )
( resid 6 and name HA )
6.0 0.1 0.1 peak 15 weight 1.1 volume 867.17670 ppm1 10.17000 ppm2 4.41200
ASSI ( attr store1 < 9.954 and attr store1 > 9.914 )
( attr store1 < 4.402 and attr store1 > 4.322 )
6.0 0.1 0.1 peak 16 volume 27.67960 ppm1 9.93400 ppm2 4.36200
ASSI ( attr store1 < 9.917 and attr store1 > 9.877 )
( attr store1 < 4.503 and attr store1 > 4.423 )
6.0 0.1 0.1 peak 17 volume 15.07190 ppm1 9.89700 ppm2 4.46300
ASSI ( resid 55 and name HE1 )
( resid 53 and name HA )
6.0 0.1 0.1 peak 18 weight 1.1 volume 20.60230 ppm1 9.89800 ppm2 4.24500
ASSI ( resid 49 and name HN )
( resid 48 and name HB1 )
6.0 0.1 0.1 peak 19 weight 1.1 volume 107.83500 ppm1 9.93000 ppm2 3.50800
ASSI ( resid 55 and name HE1 )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 20 weight 1.1 volume 19.29070 ppm1 9.89700 ppm2 3.55900
ASSI ( resid 55 and name HE1 )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 21 weight 1.1 volume 44.08690 ppm1 9.89800 ppm2 3.15700
ASSI ( resid 49 and name HN )
( resid 48 and name HB2 )
6.0 0.1 0.1 peak 22 weight 1.1 volume 127.43210 ppm1 9.93000 ppm2 3.11100
ASSI ( resid 7 and name HN )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 23 weight 1.1 volume 490.24280 ppm1 10.17000 ppm2 2.85600
ASSI ( resid 7 and name HN )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 24 weight 1.1 volume 535.26672 ppm1 10.17000 ppm2 2.70900
ASSI ( resid 55 and name HE1 )
( resid 14 and name HA )
6.0 0.1 0.1 peak 25 weight 1.1 volume 30.54930 ppm1 9.89800 ppm2 2.39300
ASSI ( resid 55 and name HE1 )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 26 weight 1.1 volume 25.54140 ppm1 9.89800 ppm2 2.44600
ASSI ( resid 55 and name HE1 )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 27 weight 1.1 volume 25.69100 ppm1 9.89700 ppm2 2.19800
ASSI ( resid 55 and name HE1 )
( resid 53 and name HB2 )
6.0 0.1 0.1 peak 28 weight 1.1 volume 166.73331 ppm1 9.89800 ppm2 1.86200
OR ( resid 55 and name HE1 )
( resid 53 and name HB1 )
ASSI ( attr store1 < 9.918 and attr store1 > 9.878 )
( attr store1 < 1.564 and attr store1 > 1.484 )
6.0 0.1 0.1 peak 29 volume 46.83360 ppm1 9.89800 ppm2 1.52400
ASSI ( resid 49 and name HN )
( resid 11 and name HG21 )
6.0 0.1 0.1 peak 30 weight 1.1 volume 20.43130 ppm1 9.92700 ppm2 1.52600
ASSI ( resid 7 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 31 weight 1.1 volume 87.62960 ppm1 10.16900 ppm2 1.35500
ASSI ( resid 49 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 32 weight 1.1 volume 183.69881 ppm1 9.92900 ppm2 1.35500
ASSI ( resid 49 and name HN )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 33 weight 1.1 volume 427.79779 ppm1 9.93000 ppm2 1.23900
ASSI ( resid 49 and name HN )
( resid 37 and name HB )
6.0 0.1 0.1 peak 34 weight 1.1 volume 117.08270 ppm1 9.93100 ppm2 1.15600
ASSI ( attr store1 < 10.189 and attr store1 > 10.149 )
( attr store1 < 0.901 and attr store1 > 0.821 )
6.0 0.1 0.1 peak 35 volume 113.55500 ppm1 10.16900 ppm2 0.86100
ASSI ( resid 7 and name HN )
( resid 34 and name HG12 )
6.0 0.1 0.1 peak 36 weight 1.1 volume 23.15660 ppm1 10.16700 ppm2 0.74200
OR ( resid 7 and name HN )
( resid 34 and name HG11 )
ASSI ( attr store1 < 9.951 and attr store1 > 9.911 )
( attr store1 < 0.901 and attr store1 > 0.821 )
6.0 0.1 0.1 peak 37 volume 30.45650 ppm1 9.93100 ppm2 0.86100
ASSI ( resid 55 and name HE1 )
( resid 14 and name HG11 )
6.0 0.1 0.1 peak 38 weight 1.1 volume 30.71280 ppm1 9.89700 ppm2 0.96200
ASSI ( resid 55 and name HE1 )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 39 weight 1.1 volume 49.59140 ppm1 9.89800 ppm2 0.50900
ASSI ( resid 49 and name HN )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 40 weight 1.1 volume 54.89570 ppm1 9.92700 ppm2 0.52300
ASSI ( resid 55 and name HE1 )
( resid 14 and name HG12 )
6.0 0.1 0.1 peak 41 weight 1.1 volume 106.72770 ppm1 9.89500 ppm2 0.08500
OR ( resid 55 and name HE1 )
( resid 14 and name HG21 )
ASSI ( resid 49 and name HN )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 42 weight 1.1 volume 34.17360 ppm1 9.93100 ppm2 -0.38200
ASSI ( resid 55 and name HE1 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 43 weight 1.1 volume 117.92310 ppm1 9.89800 ppm2 -0.56000
ASSI ( resid 39 and name HN )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 44 weight 1.1 volume 43.47050 ppm1 9.16800 ppm2 -0.38100
ASSI ( attr store1 < 9.515 and attr store1 > 9.475 )
( attr store1 < 0.853 and attr store1 > 0.773 )
6.0 0.1 0.1 peak 45 volume 40.44950 ppm1 9.49500 ppm2 0.81300
ASSI ( attr store1 < 9.515 and attr store1 > 9.475 )
( attr store1 < 0.898 and attr store1 > 0.818 )
6.0 0.1 0.1 peak 46 volume 34.24670 ppm1 9.49500 ppm2 0.85800
ASSI ( resid 36 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 47 weight 1.1 volume 25.17990 ppm1 9.49600 ppm2 1.08800
ASSI ( resid 36 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 48 weight 1.1 volume 248.79820 ppm1 9.49400 ppm2 1.35500
ASSI ( attr store1 < 9.514 and attr store1 > 9.474 )
( attr store1 < 1.744 and attr store1 > 1.664 )
6.0 0.1 0.1 peak 49 volume 42.62230 ppm1 9.49400 ppm2 1.70400
ASSI ( resid 36 and name HN )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 50 weight 1.1 volume 236.37950 ppm1 9.49400 ppm2 1.88400
ASSI ( resid 36 and name HN )
( resid 26 and name HB1 )
6.0 0.1 0.1 peak 51 weight 1.1 volume 157.46831 ppm1 9.49400 ppm2 2.04600
ASSI ( resid 36 and name HN )
( resid 26 and name HG2 )
6.0 0.1 0.1 peak 52 weight 1.1 volume 182.48849 ppm1 9.49500 ppm2 2.22800
OR ( resid 36 and name HN )
( resid 26 and name HG1 )
ASSI ( resid 36 and name HN )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 53 weight 1.1 volume 313.05511 ppm1 9.49400 ppm2 2.73300
OR ( resid 36 and name HN )
( resid 35 and name HB1 )
ASSI ( resid 36 and name HN )
( resid 36 and name HA )
6.0 0.1 0.1 peak 54 weight 1.1 volume 133.38161 ppm1 9.49400 ppm2 4.64800
ASSI ( resid 36 and name HN )
( resid 27 and name HA )
6.0 0.1 0.1 peak 55 weight 1.1 volume 79.18230 ppm1 9.49400 ppm2 4.94200
ASSI ( resid 36 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 56 weight 1.1 volume 770.94702 ppm1 9.49400 ppm2 5.19800
ASSI ( attr store1 < 9.514 and attr store1 > 9.474 )
( attr store1 < 6.909 and attr store1 > 6.829 )
6.0 0.1 0.1 peak 57 volume 36.80620 ppm1 9.49400 ppm2 6.86900
ASSI ( resid 36 and name HN )
( resid 28 and name HN )
6.0 0.1 0.1 peak 58 weight 1.1 volume 40.45260 ppm1 9.49300 ppm2 8.23300
ASSI ( resid 36 and name HN )
( resid 37 and name HN )
6.0 0.1 0.1 peak 59 weight 1.1 volume 21.81670 ppm1 9.49300 ppm2 8.47400
ASSI ( resid 36 and name HN )
( resid 26 and name HN )
6.0 0.1 0.1 peak 60 weight 1.1 volume 182.57910 ppm1 9.49400 ppm2 8.79400
ASSI ( resid 36 and name HN )
( resid 35 and name HN )
6.0 0.1 0.1 peak 61 weight 1.1 volume 73.11100 ppm1 9.49300 ppm2 8.86400
ASSI ( resid 39 and name HN )
( resid 47 and name HN )
6.0 0.1 0.1 peak 62 weight 1.1 volume 181.50951 ppm1 9.16700 ppm2 9.00900
ASSI ( resid 39 and name HN )
( resid 38 and name HN )
6.0 0.1 0.1 peak 63 weight 1.1 volume 78.27240 ppm1 9.16700 ppm2 8.87500
ASSI ( resid 24 and name HN )
( resid 38 and name HN )
6.0 0.1 0.1 peak 64 weight 1.1 volume 198.17529 ppm1 9.13500 ppm2 8.87400
OR ( resid 24 and name HN )
( resid 23 and name HN )
ASSI ( resid 39 and name HN )
( resid 40 and name HN )
6.0 0.1 0.1 peak 65 weight 1.1 volume 48.31310 ppm1 9.16500 ppm2 8.72100
ASSI ( resid 54 and name HN )
( resid 55 and name HN )
6.0 0.1 0.1 peak 66 weight 1.1 volume 185.85519 ppm1 8.93000 ppm2 8.44100
OR ( resid 54 and name HN )
( resid 50 and name HN )
OR ( resid 11 and name HN )
( resid 55 and name HN )
OR ( resid 11 and name HN )
( resid 50 and name HN )
ASSI ( resid 39 and name HN )
( resid 49 and name HN )
6.0 0.1 0.1 peak 67 weight 1.1 volume 63.11250 ppm1 9.16800 ppm2 9.93500
ASSI ( resid 48 and name HN )
( resid 49 and name HN )
6.0 0.1 0.1 peak 68 weight 1.1 volume 74.96420 ppm1 9.08300 ppm2 9.93300
ASSI ( resid 8 and name HN )
( resid 7 and name HN )
6.0 0.1 0.1 peak 69 weight 1.1 volume 58.21300 ppm1 9.15900 ppm2 10.16900
ASSI ( resid 48 and name HN )
( resid 11 and name HN )
6.0 0.1 0.1 peak 70 weight 1.1 volume 49.11230 ppm1 9.08100 ppm2 8.92300
ASSI ( resid 25 and name HN )
( resid 26 and name HN )
6.0 0.1 0.1 peak 71 weight 1.1 volume 82.05410 ppm1 9.00000 ppm2 8.79100
ASSI ( resid 41 and name HN )
( resid 40 and name HN )
6.0 0.1 0.1 peak 72 weight 1.1 volume 97.11960 ppm1 8.95800 ppm2 8.72400
OR ( resid 41 and name HN )
( resid 42 and name HN )
ASSI ( resid 47 and name HN )
( resid 46 and name HN )
6.0 0.1 0.1 peak 73 weight 1.1 volume 49.63850 ppm1 9.00400 ppm2 8.60400
ASSI ( resid 11 and name HN )
( resid 12 and name HN )
6.0 0.1 0.1 peak 74 weight 1.1 volume 41.78210 ppm1 8.91800 ppm2 8.63500
ASSI ( resid 23 and name HN )
( resid 40 and name HN )
6.0 0.1 0.1 peak 75 weight 1.1 volume 47.05110 ppm1 8.87100 ppm2 8.72300
OR ( resid 38 and name HN )
( resid 40 and name HN )
ASSI ( attr store1 < 8.9 and attr store1 > 8.86 )
( attr store1 < 8.506 and attr store1 > 8.426 )
6.0 0.1 0.1 peak 76 volume 27.72330 ppm1 8.88000 ppm2 8.46600
ASSI ( resid 11 and name HN )
( resid 10 and name HN )
6.0 0.1 0.1 peak 77 weight 1.1 volume 39.20300 ppm1 8.91600 ppm2 8.28900
ASSI ( resid 27 and name HN )
( resid 28 and name HN )
6.0 0.1 0.1 peak 78 weight 1.1 volume 54.25350 ppm1 8.78900 ppm2 8.22900
ASSI ( resid 11 and name HN )
( resid 13 and name HN )
6.0 0.1 0.1 peak 79 weight 1.1 volume 18.31620 ppm1 8.92000 ppm2 8.08700
ASSI ( resid 41 and name HN )
( resid 44 and name HN )
6.0 0.1 0.1 peak 80 weight 1.1 volume 32.85060 ppm1 8.95900 ppm2 7.97500
ASSI ( resid 23 and name HN )
( resid 22 and name HN )
6.0 0.1 0.1 peak 81 weight 1.1 volume 79.48710 ppm1 8.87100 ppm2 7.76400
ASSI ( resid 35 and name HN )
( resid 35 and name HD21 )
6.0 0.1 0.1 peak 82 weight 1.1 volume 92.97350 ppm1 8.86300 ppm2 7.60700
ASSI ( resid 54 and name HN )
( resid 55 and name HD1 )
6.0 0.1 0.1 peak 83 weight 1.1 volume 50.99270 ppm1 8.92900 ppm2 7.57100
ASSI ( resid 54 and name HN )
( resid 57 and name HN )
6.0 0.1 0.1 peak 84 weight 1.1 volume 57.92530 ppm1 8.92800 ppm2 7.51700
ASSI ( resid 8 and name HN )
( resid 9 and name HN )
6.0 0.1 0.1 peak 85 weight 1.1 volume 521.85742 ppm1 9.15500 ppm2 7.26400
ASSI ( resid 39 and name HN )
( resid 39 and name HD1 )
6.0 0.1 0.1 peak 86 weight 1.1 volume 295.91061 ppm1 9.16258 ppm2 7.13918
OR ( resid 39 and name HN )
( resid 39 and name HD2 )
ASSI ( resid 35 and name HN )
( resid 34 and name HN )
6.0 0.1 0.1 peak 87 weight 1.1 volume 66.75230 ppm1 8.86500 ppm2 7.25700
ASSI ( resid 35 and name HN )
( resid 35 and name HD22 )
6.0 0.1 0.1 peak 88 weight 1.1 volume 191.87520 ppm1 8.86700 ppm2 7.14200
ASSI ( resid 23 and name HN )
( resid 23 and name HE1 )
6.0 0.1 0.1 peak 89 weight 1.1 volume 100.97520 ppm1 8.86800 ppm2 7.10200
OR ( resid 23 and name HN )
( resid 23 and name HE2 )
ASSI ( resid 41 and name HN )
( resid 45 and name HN )
6.0 0.1 0.1 peak 90 weight 1.1 volume 106.45000 ppm1 8.95700 ppm2 7.15900
ASSI ( resid 25 and name HN )
( resid 23 and name HE1 )
6.0 0.1 0.1 peak 91 weight 1.1 volume 50.55490 ppm1 9.00000 ppm2 7.10700
OR ( resid 25 and name HN )
( resid 23 and name HE2 )
ASSI ( resid 54 and name HN )
( resid 53 and name HN )
6.0 0.1 0.1 peak 92 weight 1.1 volume 100.98940 ppm1 8.93200 ppm2 7.15700
ASSI ( attr store1 < 9.023 and attr store1 > 8.983 )
( attr store1 < 7.185 and attr store1 > 7.105 )
6.0 0.1 0.1 peak 93 volume 49.91130 ppm1 9.00300 ppm2 7.14500
ASSI ( resid 24 and name HN )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 94 weight 1.1 volume 114.27100 ppm1 9.13300 ppm2 6.90300
ASSI ( resid 24 and name HN )
( resid 23 and name HD1 )
6.0 0.1 0.1 peak 95 weight 1.1 volume 209.83940 ppm1 9.13700 ppm2 6.84700
OR ( resid 24 and name HN )
( resid 23 and name HD2 )
ASSI ( attr store1 < 9.104 and attr store1 > 9.064 )
( attr store1 < 6.904 and attr store1 > 6.824 )
6.0 0.1 0.1 peak 96 volume 39.17640 ppm1 9.08400 ppm2 6.86400
ASSI ( resid 39 and name HN )
( resid 39 and name HE1 )
6.0 0.1 0.1 peak 97 weight 1.1 volume 42.84140 ppm1 9.16100 ppm2 6.74700
OR ( resid 39 and name HN )
( resid 39 and name HE2 )
ASSI ( resid 25 and name HN )
( resid 23 and name HD1 )
6.0 0.1 0.1 peak 98 weight 1.1 volume 82.02880 ppm1 9.00200 ppm2 6.84700
OR ( resid 25 and name HN )
( resid 23 and name HD2 )
ASSI ( resid 11 and name HN )
( resid 10 and name HD1 )
6.0 0.1 0.1 peak 99 weight 1.1 volume 258.26791 ppm1 8.91700 ppm2 6.86700
OR ( resid 11 and name HN )
( resid 10 and name HD2 )
ASSI ( resid 23 and name HN )
( resid 23 and name HD1 )
6.0 0.1 0.1 peak 100 weight 1.1 volume 418.67371 ppm1 8.87000 ppm2 6.84800
OR ( resid 23 and name HN )
( resid 23 and name HD2 )
ASSI ( resid 23 and name HN )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 101 weight 1.1 volume 131.58910 ppm1 8.86900 ppm2 6.90100
ASSI ( resid 24 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 102 weight 1.1 volume 629.98969 ppm1 9.12900 ppm2 5.91200
ASSI ( resid 23 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 103 weight 1.1 volume 251.59810 ppm1 8.86900 ppm2 5.91200
ASSI ( resid 54 and name HN )
( resid 56 and name HN )
6.0 0.1 0.1 peak 104 weight 1.1 volume 34.92840 ppm1 8.93100 ppm2 5.77900
ASSI ( resid 39 and name HN )
( resid 46 and name HA )
6.0 0.1 0.1 peak 105 weight 1.1 volume 49.90640 ppm1 9.17500 ppm2 5.46800
ASSI ( attr store1 < 9.096 and attr store1 > 9.056 )
( attr store1 < 5.506 and attr store1 > 5.426 )
6.0 0.1 0.1 peak 106 volume 32.39070 ppm1 9.07600 ppm2 5.46600
ASSI ( resid 41 and name HN )
( resid 46 and name HA )
6.0 0.1 0.1 peak 107 weight 1.1 volume 214.98460 ppm1 8.95300 ppm2 5.46200
ASSI ( resid 41 and name HN )
( resid 41 and name HA )
6.0 0.1 0.1 peak 108 weight 1.1 volume 188.62810 ppm1 8.95200 ppm2 5.41300
ASSI ( resid 47 and name HN )
( resid 40 and name HA )
6.0 0.1 0.1 peak 109 weight 1.1 volume 185.36140 ppm1 9.01200 ppm2 5.55200
ASSI ( resid 41 and name HN )
( resid 40 and name HA )
6.0 0.1 0.1 peak 110 weight 1.1 volume 809.61749 ppm1 8.95500 ppm2 5.55200
ASSI ( resid 47 and name HN )
( resid 46 and name HA )
6.0 0.1 0.1 peak 111 weight 1.1 volume 714.33282 ppm1 9.00600 ppm2 5.46600
ASSI ( resid 21 and name HN )
( resid 41 and name HA )
6.0 0.1 0.1 peak 112 weight 1.1 volume 282.53229 ppm1 8.76600 ppm2 5.41000
ASSI ( resid 42 and name HN )
( resid 41 and name HA )
6.0 0.1 0.1 peak 113 weight 1.1 volume 444.59030 ppm1 8.72400 ppm2 5.41100
ASSI ( resid 39 and name HN )
( resid 39 and name HA )
6.0 0.1 0.1 peak 114 weight 1.1 volume 176.67050 ppm1 9.16600 ppm2 5.09400
ASSI ( resid 40 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 115 weight 1.1 volume 169.42380 ppm1 8.72200 ppm2 5.91000
ASSI ( resid 46 and name HN )
( resid 46 and name HA )
6.0 0.1 0.1 peak 116 weight 1.1 volume 225.80550 ppm1 8.60200 ppm2 5.46700
ASSI ( resid 26 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 117 weight 1.1 volume 82.59930 ppm1 8.79000 ppm2 5.19900
OR ( resid 27 and name HN )
( resid 35 and name HA )
ASSI ( resid 35 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 118 weight 1.1 volume 193.29849 ppm1 8.86200 ppm2 5.19800
ASSI ( resid 40 and name HN )
( resid 40 and name HA )
6.0 0.1 0.1 peak 119 weight 1.1 volume 188.85870 ppm1 8.72400 ppm2 5.55300
ASSI ( resid 24 and name HN )
( resid 39 and name HA )
6.0 0.1 0.1 peak 120 weight 1.1 volume 118.00860 ppm1 9.13500 ppm2 5.09400
ASSI ( resid 23 and name HN )
( resid 39 and name HA )
6.0 0.1 0.1 peak 121 weight 1.1 volume 65.46230 ppm1 8.86900 ppm2 5.09100
OR ( resid 38 and name HN )
( resid 39 and name HA )
ASSI ( resid 11 and name HN )
( resid 49 and name HA )
6.0 0.1 0.1 peak 122 weight 1.1 volume 139.77609 ppm1 8.91800 ppm2 5.05300
ASSI ( resid 40 and name HN )
( resid 39 and name HA )
6.0 0.1 0.1 peak 123 weight 1.1 volume 531.28912 ppm1 8.72300 ppm2 5.09600
ASSI ( resid 27 and name HN )
( resid 27 and name HA )
6.0 0.1 0.1 peak 124 weight 1.1 volume 254.14990 ppm1 8.78700 ppm2 4.94300
ASSI ( resid 11 and name HN )
( resid 10 and name HA )
6.0 0.1 0.1 peak 125 weight 1.1 volume 490.40341 ppm1 8.91800 ppm2 4.92100
ASSI ( attr store1 < 8.885 and attr store1 > 8.845 )
( attr store1 < 4.971 and attr store1 > 4.891 )
6.0 0.1 0.1 peak 126 volume 52.71720 ppm1 8.86500 ppm2 4.93100
ASSI ( resid 11 and name HN )
( resid 48 and name HA )
6.0 0.1 0.1 peak 127 weight 1.1 volume 27.53500 ppm1 8.91700 ppm2 4.82800
ASSI ( resid 48 and name HN )
( resid 48 and name HA )
6.0 0.1 0.1 peak 128 weight 1.1 volume 156.60600 ppm1 9.08300 ppm2 4.82700
ASSI ( resid 39 and name HN )
( resid 48 and name HA )
6.0 0.1 0.1 peak 129 weight 1.1 volume 116.31680 ppm1 9.17000 ppm2 4.82500
ASSI ( resid 12 and name HN )
( resid 12 and name HA )
6.0 0.1 0.1 peak 130 weight 1.1 volume 325.12350 ppm1 8.62900 ppm2 4.91200
ASSI ( resid 38 and name HN )
( resid 48 and name HA )
6.0 0.1 0.1 peak 131 weight 1.1 volume 35.04510 ppm1 8.87200 ppm2 4.81900
ASSI ( resid 39 and name HN )
( resid 38 and name HA )
6.0 0.1 0.1 peak 132 weight 1.1 volume 749.67548 ppm1 9.16900 ppm2 4.68500
ASSI ( resid 8 and name HN )
( resid 7 and name HA )
6.0 0.1 0.1 peak 133 weight 1.1 volume 813.79669 ppm1 9.15600 ppm2 4.56900
ASSI ( resid 48 and name HN )
( resid 38 and name HA )
6.0 0.1 0.1 peak 134 weight 1.1 volume 50.72310 ppm1 9.08400 ppm2 4.68800
ASSI ( resid 48 and name HN )
( resid 11 and name HB )
6.0 0.1 0.1 peak 135 weight 1.1 volume 29.93120 ppm1 9.08100 ppm2 4.46000
ASSI ( resid 25 and name HN )
( resid 25 and name HA )
6.0 0.1 0.1 peak 136 weight 1.1 volume 286.25339 ppm1 9.00000 ppm2 4.66400
ASSI ( resid 41 and name HN )
( resid 41 and name HB )
6.0 0.1 0.1 peak 137 weight 1.1 volume 117.86350 ppm1 8.95800 ppm2 4.64300
ASSI ( resid 35 and name HN )
( resid 34 and name HA )
6.0 0.1 0.1 peak 138 weight 1.1 volume 1038.72400 ppm1 8.87400 ppm2 4.68200
OR ( resid 35 and name HN )
( resid 38 and name HA )
OR ( resid 35 and name HN )
( resid 25 and name HA )
OR ( resid 38 and name HN )
( resid 34 and name HA )
OR ( resid 38 and name HN )
( resid 38 and name HA )
OR ( resid 38 and name HN )
( resid 25 and name HA )
ASSI ( resid 27 and name HN )
( resid 26 and name HA )
6.0 0.1 0.1 peak 139 weight 1.1 volume 1272.35400 ppm1 8.79200 ppm2 4.62000
OR ( resid 26 and name HN )
( resid 26 and name HA )
ASSI ( resid 42 and name HN )
( resid 19 and name HA )
6.0 0.1 0.1 peak 140 weight 1.1 volume 87.33820 ppm1 8.72400 ppm2 4.71200
ASSI ( resid 46 and name HN )
( resid 45 and name HA )
6.0 0.1 0.1 peak 141 weight 1.1 volume 1021.37738 ppm1 8.60200 ppm2 4.63700
ASSI ( resid 12 and name HN )
( resid 11 and name HB )
6.0 0.1 0.1 peak 142 weight 1.1 volume 166.46271 ppm1 8.63200 ppm2 4.45500
ASSI ( resid 12 and name HN )
( resid 11 and name HA )
6.0 0.1 0.1 peak 143 weight 1.1 volume 774.91852 ppm1 8.63400 ppm2 4.50300
ASSI ( resid 2 and name HN )
( resid 2 and name HA )
6.0 0.1 0.1 peak 144 weight 1.1 volume 122.33690 ppm1 8.66700 ppm2 4.47200
ASSI ( resid 21 and name HN )
( resid 21 and name HA )
6.0 0.1 0.1 peak 145 weight 1.1 volume 299.57901 ppm1 8.77300 ppm2 4.46100
ASSI ( resid 11 and name HN )
( resid 11 and name HA )
6.0 0.1 0.1 peak 146 weight 1.1 volume 215.93401 ppm1 8.91600 ppm2 4.50200
ASSI ( resid 11 and name HN )
( resid 11 and name HB )
6.0 0.1 0.1 peak 147 weight 1.1 volume 549.07098 ppm1 8.91900 ppm2 4.46100
ASSI ( resid 42 and name HN )
( resid 43 and name HA )
6.0 0.1 0.1 peak 148 weight 1.1 volume 88.37950 ppm1 8.72300 ppm2 4.36800
ASSI ( resid 26 and name HN )
( resid 37 and name HA )
6.0 0.1 0.1 peak 149 weight 1.1 volume 279.64569 ppm1 8.78800 ppm2 4.37300
ASSI ( resid 38 and name HN )
( resid 37 and name HA )
6.0 0.1 0.1 peak 150 weight 1.1 volume 1266.83179 ppm1 8.87100 ppm2 4.37900
OR ( resid 38 and name HN )
( resid 22 and name HA2 )
OR ( resid 23 and name HN )
( resid 37 and name HA )
OR ( resid 23 and name HN )
( resid 22 and name HA2 )
ASSI ( resid 25 and name HN )
( resid 24 and name HA )
6.0 0.1 0.1 peak 151 weight 1.1 volume 1085.67419 ppm1 9.00800 ppm2 4.35200
OR ( resid 25 and name HN )
( resid 47 and name HA )
OR ( resid 47 and name HN )
( resid 24 and name HA )
OR ( resid 47 and name HN )
( resid 47 and name HA )
ASSI ( resid 48 and name HN )
( resid 47 and name HA )
6.0 0.1 0.1 peak 152 weight 1.1 volume 1070.25745 ppm1 9.08200 ppm2 4.35400
ASSI ( resid 24 and name HN )
( resid 24 and name HA )
6.0 0.1 0.1 peak 153 weight 1.1 volume 375.21701 ppm1 9.13300 ppm2 4.35100
ASSI ( resid 42 and name HN )
( resid 41 and name HB )
6.0 0.1 0.1 peak 154 weight 1.1 volume 495.96411 ppm1 8.72400 ppm2 4.64400
ASSI ( resid 18 and name HN )
( resid 16 and name HA )
6.0 0.1 0.1 peak 155 weight 1.1 volume 56.11990 ppm1 8.55300 ppm2 4.89200
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
( attr store1 < 4.813 and attr store1 > 4.733 )
6.0 0.1 0.1 peak 156 volume 33.00730 ppm1 5.77200 ppm2 4.77300
ASSI ( resid 23 and name HA )
( resid 39 and name HA )
6.0 0.1 0.1 peak 157 weight 1.1 volume 286.55521 ppm1 5.91100 ppm2 5.09500
ASSI ( resid 8 and name HN )
( resid 8 and name HA )
6.0 0.1 0.1 peak 158 weight 1.1 volume 210.10760 ppm1 9.15700 ppm2 4.28600
ASSI ( resid 54 and name HN )
( resid 54 and name HA )
6.0 0.1 0.1 peak 159 weight 1.1 volume 433.97839 ppm1 8.93000 ppm2 4.28700
ASSI ( resid 54 and name HN )
( resid 53 and name HA )
6.0 0.1 0.1 peak 160 weight 1.1 volume 940.17877 ppm1 8.93000 ppm2 4.24200
ASSI ( resid 21 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 161 weight 1.1 volume 609.42767 ppm1 8.77200 ppm2 4.24400
ASSI ( resid 12 and name HN )
( resid 13 and name HA )
6.0 0.1 0.1 peak 162 weight 1.1 volume 49.02940 ppm1 8.63200 ppm2 4.16900
ASSI ( resid 40 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 163 weight 1.1 volume 164.51060 ppm1 8.72600 ppm2 4.24600
OR ( resid 42 and name HN )
( resid 20 and name HA )
ASSI ( resid 2 and name HN )
( resid 1 and name HA )
6.0 0.1 0.1 peak 164 weight 1.1 volume 319.81680 ppm1 8.66100 ppm2 4.09500
ASSI ( resid 21 and name HN )
( resid 42 and name HA )
6.0 0.1 0.1 peak 165 weight 1.1 volume 44.84460 ppm1 8.77100 ppm2 4.08300
OR ( resid 21 and name HN )
( resid 18 and name HA )
ASSI ( resid 38 and name HN )
( resid 24 and name HB )
6.0 0.1 0.1 peak 166 weight 1.1 volume 71.05640 ppm1 8.87100 ppm2 4.01500
ASSI ( resid 25 and name HN )
( resid 24 and name HB )
6.0 0.1 0.1 peak 167 weight 1.1 volume 264.74011 ppm1 9.00000 ppm2 4.01500
ASSI ( resid 41 and name HN )
( resid 44 and name HA )
6.0 0.1 0.1 peak 168 weight 1.1 volume 32.60770 ppm1 8.95200 ppm2 3.95900
ASSI ( resid 24 and name HN )
( resid 24 and name HB )
6.0 0.1 0.1 peak 169 weight 1.1 volume 183.87440 ppm1 9.13400 ppm2 4.01600
ASSI ( resid 42 and name HN )
( resid 42 and name HA )
6.0 0.1 0.1 peak 170 weight 1.1 volume 269.59201 ppm1 8.72400 ppm2 4.08200
ASSI ( resid 47 and name HN )
( resid 46 and name HB1 )
6.0 0.1 0.1 peak 171 weight 1.1 volume 111.46530 ppm1 9.00700 ppm2 3.69500
ASSI ( resid 54 and name HN )
( resid 54 and name HB )
6.0 0.1 0.1 peak 172 weight 1.1 volume 358.27029 ppm1 8.92900 ppm2 3.62500
ASSI ( resid 47 and name HN )
( resid 46 and name HB2 )
6.0 0.1 0.1 peak 173 weight 1.1 volume 177.68260 ppm1 9.00700 ppm2 3.57000
ASSI ( resid 48 and name HN )
( resid 48 and name HB1 )
6.0 0.1 0.1 peak 174 weight 1.1 volume 424.71170 ppm1 9.08200 ppm2 3.51400
ASSI ( resid 11 and name HN )
( resid 48 and name HB1 )
6.0 0.1 0.1 peak 175 weight 1.1 volume 55.53690 ppm1 8.91800 ppm2 3.51200
ASSI ( resid 11 and name HN )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 176 weight 1.1 volume 130.03220 ppm1 8.91800 ppm2 3.35400
ASSI ( resid 41 and name HN )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 177 weight 1.1 volume 162.64200 ppm1 8.96000 ppm2 3.32500
ASSI ( resid 25 and name HN )
( resid 25 and name HD2 )
6.0 0.1 0.1 peak 178 weight 1.1 volume 63.82210 ppm1 8.99900 ppm2 3.21000
OR ( resid 25 and name HN )
( resid 25 and name HD1 )
ASSI ( resid 40 and name HN )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 179 weight 1.1 volume 204.09331 ppm1 8.71800 ppm2 3.32300
ASSI ( resid 42 and name HN )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 180 weight 1.1 volume 54.58380 ppm1 8.72300 ppm2 3.58200
ASSI ( resid 2 and name HN )
( resid 2 and name HB1 )
6.0 0.1 0.1 peak 181 weight 1.1 volume 147.06779 ppm1 8.66100 ppm2 3.75700
OR ( resid 2 and name HN )
( resid 2 and name HB2 )
ASSI ( resid 40 and name HE1 )
( resid 46 and name HB1 )
6.0 0.1 0.1 peak 182 weight 1.1 volume 39.91040 ppm1 8.52900 ppm2 3.69400
ASSI ( resid 46 and name HN )
( resid 46 and name HB2 )
6.0 0.1 0.1 peak 183 weight 1.1 volume 184.47211 ppm1 8.60200 ppm2 3.57000
ASSI ( resid 40 and name HE1 )
( resid 46 and name HB2 )
6.0 0.1 0.1 peak 184 weight 1.1 volume 41.58780 ppm1 8.53000 ppm2 3.57300
ASSI ( resid 46 and name HN )
( resid 46 and name HB1 )
6.0 0.1 0.1 peak 185 weight 1.1 volume 291.17691 ppm1 8.60200 ppm2 3.69700
ASSI ( resid 11 and name HN )
( resid 48 and name HB2 )
6.0 0.1 0.1 peak 186 weight 1.1 volume 80.20330 ppm1 8.91900 ppm2 3.11400
ASSI ( resid 48 and name HN )
( resid 48 and name HB2 )
6.0 0.1 0.1 peak 187 weight 1.1 volume 311.05179 ppm1 9.08200 ppm2 3.10800
ASSI ( attr store1 < 9.182 and attr store1 > 9.142 )
( attr store1 < 3.142 and attr store1 > 3.062 )
6.0 0.1 0.1 peak 188 volume 37.44770 ppm1 9.16200 ppm2 3.10200
ASSI ( resid 39 and name HN )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 189 weight 1.1 volume 221.07570 ppm1 9.16800 ppm2 3.01700
ASSI ( resid 24 and name HN )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 190 weight 1.1 volume 234.56689 ppm1 9.13100 ppm2 2.93900
ASSI ( attr store1 < 9.102 and attr store1 > 9.062 )
( attr store1 < 2.882 and attr store1 > 2.802 )
6.0 0.1 0.1 peak 191 volume 36.55830 ppm1 9.08200 ppm2 2.84200
ASSI ( resid 8 and name HN )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 192 weight 1.1 volume 214.31390 ppm1 9.15700 ppm2 2.85800
ASSI ( resid 39 and name HN )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 193 weight 1.1 volume 263.55121 ppm1 9.16800 ppm2 2.78700
ASSI ( resid 8 and name HN )
( resid 6 and name HB2 )
6.0 0.1 0.1 peak 194 weight 1.1 volume 105.38700 ppm1 9.15600 ppm2 2.70300
OR ( resid 8 and name HN )
( resid 7 and name HB2 )
ASSI ( resid 47 and name HN )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 195 weight 1.1 volume 48.43400 ppm1 9.00900 ppm2 3.01600
ASSI ( resid 47 and name HN )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 196 weight 1.1 volume 58.46150 ppm1 9.00700 ppm2 2.78800
ASSI ( resid 23 and name HN )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 197 weight 1.1 volume 147.10440 ppm1 8.87000 ppm2 2.93800
ASSI ( resid 41 and name HN )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 198 weight 1.1 volume 64.89510 ppm1 8.95600 ppm2 2.87400
ASSI ( resid 11 and name HN )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 199 weight 1.1 volume 152.89560 ppm1 8.91900 ppm2 2.80600
ASSI ( resid 35 and name HN )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 200 weight 1.1 volume 610.15509 ppm1 8.86200 ppm2 2.73300
OR ( resid 35 and name HN )
( resid 35 and name HB1 )
ASSI ( resid 40 and name HN )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 201 weight 1.1 volume 179.42300 ppm1 8.72200 ppm2 3.02100
ASSI ( resid 42 and name HN )
( resid 42 and name HE2 )
6.0 0.1 0.1 peak 202 weight 1.1 volume 290.72571 ppm1 8.72200 ppm2 2.88000
OR ( resid 42 and name HN )
( resid 40 and name HB1 )
OR ( resid 42 and name HN )
( resid 42 and name HE1 )
OR ( resid 40 and name HN )
( resid 42 and name HE2 )
OR ( resid 40 and name HN )
( resid 40 and name HB1 )
OR ( resid 40 and name HN )
( resid 42 and name HE1 )
ASSI ( resid 40 and name HN )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 203 weight 1.1 volume 100.38300 ppm1 8.72100 ppm2 2.78900
ASSI ( resid 12 and name HN )
( resid 12 and name HB2 )
6.0 0.1 0.1 peak 204 weight 1.1 volume 226.83040 ppm1 8.63100 ppm2 2.90300
ASSI ( resid 12 and name HN )
( resid 12 and name HB1 )
6.0 0.1 0.1 peak 205 weight 1.1 volume 242.86890 ppm1 8.63100 ppm2 2.82100
ASSI ( resid 23 and name HN )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 206 weight 1.1 volume 145.56200 ppm1 8.86900 ppm2 2.63300
ASSI ( resid 40 and name HN )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 207 weight 1.1 volume 44.71080 ppm1 8.72200 ppm2 2.63200
ASSI ( resid 24 and name HN )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 208 weight 1.1 volume 286.89661 ppm1 9.13500 ppm2 2.62900
ASSI ( resid 54 and name HN )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 209 weight 1.1 volume 131.51421 ppm1 8.93000 ppm2 2.44700
ASSI ( resid 54 and name HN )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 210 weight 1.1 volume 83.10320 ppm1 8.92900 ppm2 2.20200
ASSI ( resid 27 and name HN )
( resid 26 and name HG1 )
6.0 0.1 0.1 peak 211 weight 1.1 volume 237.88930 ppm1 8.79100 ppm2 2.25100
OR ( resid 27 and name HN )
( resid 30 and name HG1 )
OR ( resid 26 and name HN )
( resid 26 and name HG1 )
OR ( resid 26 and name HN )
( resid 30 and name HG1 )
ASSI ( resid 27 and name HN )
( resid 26 and name HG2 )
6.0 0.1 0.1 peak 212 weight 1.1 volume 379.48990 ppm1 8.78200 ppm2 2.19400
OR ( resid 27 and name HN )
( resid 21 and name HB )
OR ( resid 21 and name HN )
( resid 26 and name HG2 )
OR ( resid 21 and name HN )
( resid 21 and name HB )
OR ( resid 26 and name HN )
( resid 26 and name HG2 )
OR ( resid 26 and name HN )
( resid 21 and name HB )
ASSI ( resid 47 and name HN )
( resid 47 and name HB )
6.0 0.1 0.1 peak 213 weight 1.1 volume 303.62970 ppm1 9.00700 ppm2 2.03100
ASSI ( resid 48 and name HN )
( resid 47 and name HB )
6.0 0.1 0.1 peak 214 weight 1.1 volume 82.16930 ppm1 9.08200 ppm2 2.03100
ASSI ( resid 26 and name HN )
( resid 26 and name HB1 )
6.0 0.1 0.1 peak 215 weight 1.1 volume 416.94370 ppm1 8.78800 ppm2 2.04500
OR ( resid 27 and name HN )
( resid 26 and name HB1 )
ASSI ( resid 42 and name HN )
( resid 42 and name HB1 )
6.0 0.1 0.1 peak 216 weight 1.1 volume 272.05511 ppm1 8.72400 ppm2 1.97900
ASSI ( resid 18 and name HN )
( resid 17 and name HG2 )
6.0 0.1 0.1 peak 217 weight 1.1 volume 52.80800 ppm1 8.55300 ppm2 1.92000
OR ( resid 18 and name HN )
( resid 17 and name HG1 )
ASSI ( resid 18 and name HN )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 218 weight 1.1 volume 119.04960 ppm1 8.55300 ppm2 2.04000
ASSI ( resid 18 and name HN )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 219 weight 1.1 volume 140.15210 ppm1 8.55200 ppm2 2.15600
ASSI ( resid 42 and name HN )
( resid 42 and name HB2 )
6.0 0.1 0.1 peak 220 weight 1.1 volume 355.33109 ppm1 8.72400 ppm2 1.86300
ASSI ( resid 26 and name HN )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 221 weight 1.1 volume 615.88751 ppm1 8.78900 ppm2 1.88600
OR ( resid 27 and name HN )
( resid 26 and name HB2 )
ASSI ( resid 35 and name HN )
( resid 34 and name HB )
6.0 0.1 0.1 peak 222 weight 1.1 volume 503.96030 ppm1 8.86300 ppm2 1.90600
ASSI ( resid 54 and name HN )
( resid 53 and name HB1 )
6.0 0.1 0.1 peak 223 weight 1.1 volume 302.36710 ppm1 8.93000 ppm2 1.86500
OR ( resid 54 and name HN )
( resid 53 and name HB2 )
ASSI ( resid 39 and name HN )
( resid 47 and name HB )
6.0 0.1 0.1 peak 224 weight 1.1 volume 105.72090 ppm1 9.16800 ppm2 2.03100
ASSI ( resid 24 and name HN )
( resid 38 and name HB )
6.0 0.1 0.1 peak 225 weight 1.1 volume 140.49570 ppm1 9.13400 ppm2 1.77300
ASSI ( resid 38 and name HN )
( resid 38 and name HB )
6.0 0.1 0.1 peak 226 weight 1.1 volume 283.16061 ppm1 8.87000 ppm2 1.77500
ASSI ( attr store1 < 8.89 and attr store1 > 8.85 )
( attr store1 < 1.744 and attr store1 > 1.664 )
6.0 0.1 0.1 peak 227 volume 74.85250 ppm1 8.87000 ppm2 1.70400
ASSI ( attr store1 < 8.949 and attr store1 > 8.909 )
( attr store1 < 1.746 and attr store1 > 1.666 )
6.0 0.1 0.1 peak 228 volume 73.69810 ppm1 8.92900 ppm2 1.70600
ASSI ( attr store1 < 9.02 and attr store1 > 8.98 )
( attr store1 < 1.817 and attr store1 > 1.737 )
6.0 0.1 0.1 peak 229 volume 33.20610 ppm1 9.00000 ppm2 1.77700
ASSI ( resid 26 and name HN )
( resid 25 and name HB2 )
6.0 0.1 0.1 peak 230 weight 1.1 volume 377.48920 ppm1 8.79000 ppm2 1.69600
OR ( resid 26 and name HN )
( resid 25 and name HB1 )
ASSI ( resid 42 and name HN )
( resid 42 and name HD2 )
6.0 0.1 0.1 peak 231 weight 1.1 volume 45.25420 ppm1 8.72300 ppm2 1.72600
ASSI ( resid 48 and name HN )
( resid 11 and name HG21 )
6.0 0.1 0.1 peak 232 weight 1.1 volume 41.03670 ppm1 9.08300 ppm2 1.52600
ASSI ( resid 25 and name HN )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 233 weight 1.1 volume 732.81311 ppm1 8.99900 ppm2 1.69600
OR ( resid 25 and name HN )
( resid 25 and name HB2 )
ASSI ( resid 39 and name HN )
( resid 38 and name HB )
6.0 0.1 0.1 peak 234 weight 1.1 volume 54.61420 ppm1 9.16400 ppm2 1.77700
ASSI ( resid 8 and name HN )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 235 weight 1.1 volume 488.64249 ppm1 9.15800 ppm2 1.58000
OR ( resid 8 and name HN )
( resid 8 and name HB2 )
ASSI ( resid 39 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 236 weight 1.1 volume 100.02340 ppm1 9.16500 ppm2 1.35800
ASSI ( resid 25 and name HN )
( resid 25 and name HG2 )
6.0 0.1 0.1 peak 237 weight 1.1 volume 133.97490 ppm1 8.99900 ppm2 1.43200
OR ( resid 25 and name HN )
( resid 25 and name HG1 )
ASSI ( resid 11 and name HN )
( resid 11 and name HG21 )
6.0 0.1 0.1 peak 238 weight 1.1 volume 545.96411 ppm1 8.91800 ppm2 1.52500
ASSI ( attr store1 < 8.949 and attr store1 > 8.909 )
( attr store1 < 1.502 and attr store1 > 1.422 )
6.0 0.1 0.1 peak 239 volume 31.40830 ppm1 8.92900 ppm2 1.46200
ASSI ( resid 38 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 240 weight 1.1 volume 260.68161 ppm1 8.87100 ppm2 1.35900
ASSI ( resid 26 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 241 weight 1.1 volume 184.41730 ppm1 8.79100 ppm2 1.35500
ASSI ( resid 26 and name HN )
( resid 25 and name HG1 )
6.0 0.1 0.1 peak 242 weight 1.1 volume 164.44051 ppm1 8.79100 ppm2 1.42300
ASSI ( resid 27 and name HN )
( resid 27 and name HB1 )
6.0 0.1 0.1 peak 243 weight 1.1 volume 692.66052 ppm1 8.79000 ppm2 1.50100
OR ( resid 27 and name HN )
( resid 27 and name HB2 )
ASSI ( resid 40 and name HN )
( resid 20 and name HG11 )
6.0 0.1 0.1 peak 244 weight 1.1 volume 158.91521 ppm1 8.72000 ppm2 1.42600
ASSI ( resid 42 and name HN )
( resid 42 and name HG1 )
6.0 0.1 0.1 peak 245 weight 1.1 volume 240.65480 ppm1 8.72400 ppm2 1.47800
OR ( resid 42 and name HN )
( resid 42 and name HG2 )
ASSI ( resid 21 and name HN )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 246 weight 1.1 volume 111.61620 ppm1 8.77100 ppm2 1.16500
ASSI ( resid 42 and name HN )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 247 weight 1.1 volume 259.55701 ppm1 8.72400 ppm2 1.16500
OR ( resid 40 and name HN )
( resid 41 and name HG21 )
ASSI ( attr store1 < 8.891 and attr store1 > 8.851 )
( attr store1 < 1.208 and attr store1 > 1.128 )
6.0 0.1 0.1 peak 248 volume 139.84900 ppm1 8.87100 ppm2 1.16800
ASSI ( resid 54 and name HN )
( resid 54 and name HG21 )
6.0 0.1 0.1 peak 249 weight 1.1 volume 291.70190 ppm1 8.92800 ppm2 1.23600
ASSI ( resid 11 and name HN )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 250 weight 1.1 volume 221.37430 ppm1 8.92800 ppm2 1.16500
ASSI ( resid 41 and name HN )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 251 weight 1.1 volume 406.25201 ppm1 8.95600 ppm2 1.16500
ASSI ( resid 47 and name HN )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 252 weight 1.1 volume 557.37073 ppm1 8.99900 ppm2 1.17900
OR ( resid 47 and name HN )
( resid 47 and name HG11 )
OR ( resid 47 and name HN )
( resid 24 and name HG21 )
OR ( resid 25 and name HN )
( resid 41 and name HG21 )
OR ( resid 25 and name HN )
( resid 47 and name HG11 )
OR ( resid 25 and name HN )
( resid 24 and name HG21 )
ASSI ( resid 48 and name HN )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 253 weight 1.1 volume 358.64810 ppm1 9.08200 ppm2 1.16800
ASSI ( resid 24 and name HN )
( resid 24 and name HG1 )
6.0 0.1 0.1 peak 254 weight 1.1 volume 160.99210 ppm1 9.13200 ppm2 1.18100
ASSI ( resid 39 and name HN )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 255 weight 1.1 volume 101.64950 ppm1 9.17100 ppm2 1.16900
ASSI ( resid 39 and name HN )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 256 weight 1.1 volume 21.43890 ppm1 9.16700 ppm2 1.23900
ASSI ( resid 35 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 257 weight 1.1 volume 310.90930 ppm1 8.86400 ppm2 1.08700
ASSI ( resid 38 and name HN )
( resid 38 and name HG11 )
6.0 0.1 0.1 peak 258 weight 1.1 volume 150.75349 ppm1 8.87100 ppm2 1.03500
OR ( resid 38 and name HN )
( resid 38 and name HG12 )
ASSI ( resid 21 and name HN )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 259 weight 1.1 volume 380.77521 ppm1 8.77500 ppm2 1.04700
ASSI ( resid 40 and name HN )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 260 weight 1.1 volume 196.09070 ppm1 8.72200 ppm2 1.04700
ASSI ( resid 42 and name HN )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 261 weight 1.1 volume 48.78470 ppm1 8.72700 ppm2 0.95400
OR ( resid 40 and name HN )
( resid 20 and name HG12 )
ASSI ( resid 21 and name HN )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 262 weight 1.1 volume 58.01130 ppm1 8.77100 ppm2 0.95400
ASSI ( resid 27 and name HN )
( resid 27 and name HD11 )
6.0 0.1 0.1 peak 263 weight 1.1 volume 319.79709 ppm1 8.78800 ppm2 0.81700
ASSI ( resid 21 and name HN )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 264 weight 1.1 volume 264.33731 ppm1 8.77100 ppm2 0.87700
ASSI ( resid 27 and name HN )
( resid 27 and name HD21 )
6.0 0.1 0.1 peak 265 weight 1.1 volume 345.49280 ppm1 8.78800 ppm2 0.85900
ASSI ( resid 42 and name HN )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 266 weight 1.1 volume 154.51221 ppm1 8.72400 ppm2 0.88100
ASSI ( resid 21 and name HN )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 267 weight 1.1 volume 401.30640 ppm1 8.77300 ppm2 0.72500
ASSI ( resid 42 and name HN )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 268 weight 1.1 volume 152.27400 ppm1 8.72700 ppm2 0.72500
ASSI ( resid 35 and name HN )
( resid 34 and name HG21 )
6.0 0.1 0.1 peak 269 weight 1.1 volume 270.08749 ppm1 8.86300 ppm2 0.69000
ASSI ( resid 38 and name HN )
( resid 38 and name HD11 )
6.0 0.1 0.1 peak 270 weight 1.1 volume 318.37729 ppm1 8.87300 ppm2 0.86300
ASSI ( attr store1 < 8.975 and attr store1 > 8.935 )
( attr store1 < 0.765 and attr store1 > 0.685 )
6.0 0.1 0.1 peak 271 volume 38.12210 ppm1 8.95500 ppm2 0.72500
ASSI ( resid 47 and name HN )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 272 weight 1.1 volume 108.79990 ppm1 9.00100 ppm2 0.86000
ASSI ( attr store1 < 8.978 and attr store1 > 8.938 )
( attr store1 < 0.913 and attr store1 > 0.833 )
6.0 0.1 0.1 peak 273 volume 36.42570 ppm1 8.95800 ppm2 0.87300
ASSI ( resid 47 and name HN )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 274 weight 1.1 volume 268.40521 ppm1 9.00700 ppm2 0.95400
ASSI ( attr store1 < 8.979 and attr store1 > 8.939 )
( attr store1 < 0.994 and attr store1 > 0.914 )
6.0 0.1 0.1 peak 275 volume 50.08050 ppm1 8.95900 ppm2 0.95400
ASSI ( resid 48 and name HN )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 276 weight 1.1 volume 166.91330 ppm1 9.08200 ppm2 0.95500
ASSI ( resid 48 and name HN )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 277 weight 1.1 volume 26.20900 ppm1 9.08300 ppm2 0.86400
OR ( resid 48 and name HN )
( resid 38 and name HD11 )
ASSI ( resid 8 and name HN )
( resid 8 and name HD11 )
6.0 0.1 0.1 peak 278 weight 1.1 volume 129.08940 ppm1 9.15800 ppm2 0.74200
ASSI ( resid 8 and name HN )
( resid 8 and name HD21 )
6.0 0.1 0.1 peak 279 weight 1.1 volume 271.35159 ppm1 9.16300 ppm2 0.86200
OR ( resid 8 and name HN )
( resid 15 and name HD21 )
OR ( resid 39 and name HN )
( resid 8 and name HD21 )
OR ( resid 39 and name HN )
( resid 15 and name HD21 )
ASSI ( resid 39 and name HN )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 280 weight 1.1 volume 69.16320 ppm1 9.16800 ppm2 0.95700
ASSI ( resid 39 and name HN )
( resid 38 and name HG12 )
6.0 0.1 0.1 peak 281 weight 1.1 volume 93.17910 ppm1 9.16800 ppm2 1.04000
OR ( resid 39 and name HN )
( resid 38 and name HG11 )
ASSI ( resid 24 and name HN )
( resid 38 and name HG11 )
6.0 0.1 0.1 peak 282 weight 1.1 volume 35.71500 ppm1 9.13400 ppm2 1.03800
ASSI ( resid 39 and name HN )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 283 weight 1.1 volume 387.72360 ppm1 9.15532 ppm2 0.52363
OR ( resid 24 and name HN )
( resid 38 and name HG21 )
ASSI ( resid 48 and name HN )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 284 weight 1.1 volume 48.51570 ppm1 9.08300 ppm2 0.52300
ASSI ( resid 47 and name HN )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 285 weight 1.1 volume 288.21671 ppm1 9.00400 ppm2 0.52300
ASSI ( resid 8 and name HN )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 286 weight 1.1 volume 32.21530 ppm1 9.16000 ppm2 0.17000
ASSI ( resid 35 and name HN )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 287 weight 1.1 volume 88.41280 ppm1 8.86100 ppm2 0.17200
ASSI ( resid 21 and name HN )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 288 weight 1.1 volume 64.38040 ppm1 8.77100 ppm2 0.35400
ASSI ( resid 40 and name HN )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 289 weight 1.1 volume 53.16880 ppm1 8.72300 ppm2 0.35300
ASSI ( resid 26 and name HN )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 290 weight 1.1 volume 151.47090 ppm1 8.78900 ppm2 0.53100
ASSI ( resid 38 and name HN )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 291 weight 1.1 volume 379.23090 ppm1 8.87300 ppm2 0.52700
ASSI ( resid 54 and name HN )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 292 weight 1.1 volume 36.96930 ppm1 8.92800 ppm2 -0.55900
ASSI ( resid 38 and name HN )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 293 weight 1.1 volume 346.24869 ppm1 8.87200 ppm2 -0.38000
ASSI ( resid 26 and name HN )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 294 weight 1.1 volume 39.91460 ppm1 8.79100 ppm2 -0.38100
ASSI ( resid 50 and name HN )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 295 weight 1.1 volume 192.21561 ppm1 8.44900 ppm2 -0.55900
ASSI ( resid 37 and name HN )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 296 weight 1.1 volume 123.71530 ppm1 8.47200 ppm2 -0.38200
ASSI ( resid 60 and name HN )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 297 weight 1.1 volume 27.09710 ppm1 8.26700 ppm2 -0.38100
ASSI ( resid 16 and name HE1 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 298 weight 1.1 volume 77.03580 ppm1 8.43300 ppm2 0.06300
ASSI ( resid 16 and name HN )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 299 weight 1.1 volume 40.46430 ppm1 8.23200 ppm2 0.06200
ASSI ( resid 10 and name HN )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 300 weight 1.1 volume 69.98360 ppm1 8.28700 ppm2 0.17000
ASSI ( resid 50 and name HN )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 301 weight 1.1 volume 111.77220 ppm1 8.46700 ppm2 0.30800
ASSI ( resid 60 and name HN )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 302 weight 1.1 volume 628.25049 ppm1 8.26800 ppm2 0.28000
ASSI ( resid 16 and name HN )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 303 weight 1.1 volume 91.49290 ppm1 8.23200 ppm2 0.35200
ASSI ( resid 60 and name HN )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 304 weight 1.1 volume 310.37961 ppm1 8.26700 ppm2 0.34400
ASSI ( resid 37 and name HN )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 305 weight 1.1 volume 130.35690 ppm1 8.47300 ppm2 0.52800
ASSI ( resid 16 and name HE1 )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 306 weight 1.1 volume 37.61300 ppm1 8.43400 ppm2 0.51100
ASSI ( resid 40 and name HE1 )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 307 weight 1.1 volume 309.83871 ppm1 8.52900 ppm2 0.52300
ASSI ( resid 46 and name HN )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 308 weight 1.1 volume 54.92640 ppm1 8.60300 ppm2 0.52100
ASSI ( resid 37 and name HN )
( resid 37 and name HG12 )
6.0 0.1 0.1 peak 309 weight 1.1 volume 78.69650 ppm1 8.47400 ppm2 0.78400
ASSI ( resid 33 and name HN )
( resid 34 and name HG21 )
6.0 0.1 0.1 peak 310 weight 1.1 volume 45.47430 ppm1 8.36300 ppm2 0.68900
ASSI ( attr store1 < 8.384 and attr store1 > 8.344 )
( attr store1 < 0.785 and attr store1 > 0.705 )
6.0 0.1 0.1 peak 311 volume 21.29190 ppm1 8.36400 ppm2 0.74500
ASSI ( resid 60 and name HN )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 312 weight 1.1 volume 187.25500 ppm1 8.26800 ppm2 0.63400
OR ( resid 63 and name HN )
( resid 59 and name HG21 )
ASSI ( attr store1 < 8.29 and attr store1 > 8.25 )
( attr store1 < 0.754 and attr store1 > 0.674 )
6.0 0.1 0.1 peak 313 volume 190.05870 ppm1 8.27000 ppm2 0.71400
ASSI ( resid 16 and name HN )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 314 weight 1.1 volume 233.02299 ppm1 8.23300 ppm2 0.72800
ASSI ( resid 16 and name HN )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 315 weight 1.1 volume 140.93430 ppm1 8.23200 ppm2 0.85400
ASSI ( resid 28 and name HN )
( resid 27 and name HD11 )
6.0 0.1 0.1 peak 316 weight 1.1 volume 207.34360 ppm1 8.23200 ppm2 0.81500
ASSI ( resid 63 and name HN )
( resid 63 and name HD11 )
6.0 0.1 0.1 peak 317 weight 1.1 volume 238.95039 ppm1 8.27200 ppm2 0.84300
ASSI ( resid 60 and name HN )
( resid 59 and name HG11 )
6.0 0.1 0.1 peak 318 weight 1.1 volume 226.27260 ppm1 8.26900 ppm2 0.90500
OR ( resid 60 and name HN )
( resid 63 and name HD21 )
OR ( resid 63 and name HN )
( resid 59 and name HG11 )
OR ( resid 63 and name HN )
( resid 63 and name HD21 )
ASSI ( resid 68 and name HN )
( resid 67 and name HG21 )
6.0 0.1 0.1 peak 319 weight 1.1 volume 139.12300 ppm1 8.32600 ppm2 0.91600
OR ( resid 68 and name HN )
( resid 67 and name HG11 )
ASSI ( resid 69 and name HN )
( resid 67 and name HG11 )
6.0 0.1 0.1 peak 320 weight 1.1 volume 22.96840 ppm1 8.45100 ppm2 0.91700
ASSI ( resid 40 and name HE1 )
( resid 38 and name HD11 )
6.0 0.1 0.1 peak 321 weight 1.1 volume 75.91230 ppm1 8.53000 ppm2 0.86200
ASSI ( resid 18 and name HN )
( resid 18 and name HG2 )
6.0 0.1 0.1 peak 322 weight 1.1 volume 85.14640 ppm1 8.55300 ppm2 0.82900
ASSI ( resid 46 and name HN )
( resid 45 and name HD11 )
6.0 0.1 0.1 peak 323 weight 1.1 volume 162.42610 ppm1 8.60300 ppm2 0.84900
ASSI ( resid 18 and name HN )
( resid 18 and name HG1 )
6.0 0.1 0.1 peak 324 weight 1.1 volume 173.79939 ppm1 8.55300 ppm2 0.97400
ASSI ( attr store1 < 8.615 and attr store1 > 8.575 )
( attr store1 < 0.998 and attr store1 > 0.918 )
6.0 0.1 0.1 peak 325 volume 52.34770 ppm1 8.59500 ppm2 0.95800
ASSI ( resid 46 and name HN )
( resid 45 and name HD21 )
6.0 0.1 0.1 peak 326 weight 1.1 volume 79.20110 ppm1 8.60300 ppm2 0.88900
ASSI ( resid 29 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 327 weight 1.1 volume 393.70779 ppm1 8.34000 ppm2 1.08800
ASSI ( resid 28 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 328 weight 1.1 volume 777.59381 ppm1 8.23200 ppm2 1.09000
ASSI ( resid 37 and name HN )
( resid 37 and name HG11 )
6.0 0.1 0.1 peak 329 weight 1.1 volume 124.88830 ppm1 8.47200 ppm2 1.06600
ASSI ( resid 16 and name HE1 )
( resid 14 and name HB )
6.0 0.1 0.1 peak 330 weight 1.1 volume 35.74510 ppm1 8.43200 ppm2 1.10600
ASSI ( resid 37 and name HN )
( resid 37 and name HB )
6.0 0.1 0.1 peak 331 weight 1.1 volume 341.11569 ppm1 8.47200 ppm2 1.14000
ASSI ( resid 40 and name HE1 )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 332 weight 1.1 volume 63.74180 ppm1 8.52900 ppm2 1.18400
ASSI ( resid 50 and name HN )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 333 weight 1.1 volume 519.20642 ppm1 8.45500 ppm2 1.23800
OR ( resid 50 and name HN )
( resid 54 and name HG21 )
OR ( resid 55 and name HN )
( resid 49 and name HB1 )
OR ( resid 55 and name HN )
( resid 54 and name HG21 )
ASSI ( resid 37 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 334 weight 1.1 volume 403.17120 ppm1 8.46800 ppm2 1.35500
ASSI ( resid 16 and name HN )
( resid 15 and name HB1 )
6.0 0.1 0.1 peak 335 weight 1.1 volume 257.98441 ppm1 8.22800 ppm2 1.26900
ASSI ( resid 16 and name HN )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 336 weight 1.1 volume 178.68010 ppm1 8.23100 ppm2 1.33400
ASSI ( resid 2 and name HN )
( resid 1 and name HB1 )
6.0 0.1 0.1 peak 337 weight 1.1 volume 113.44690 ppm1 8.66100 ppm2 1.49300
ASSI ( attr store1 < 8.652 and attr store1 > 8.612 )
( attr store1 < 1.566 and attr store1 > 1.486 )
6.0 0.1 0.1 peak 338 volume 218.74710 ppm1 8.63200 ppm2 1.52600
ASSI ( resid 18 and name HN )
( resid 18 and name HB1 )
6.0 0.1 0.1 peak 339 weight 1.1 volume 304.59650 ppm1 8.55400 ppm2 1.51400
ASSI ( resid 46 and name HN )
( resid 45 and name HB2 )
6.0 0.1 0.1 peak 340 weight 1.1 volume 427.34720 ppm1 8.60300 ppm2 1.57400
OR ( resid 46 and name HN )
( resid 45 and name HB1 )
ASSI ( resid 37 and name HN )
( resid 51 and name HG2 )
6.0 0.1 0.1 peak 341 weight 1.1 volume 79.73990 ppm1 8.47100 ppm2 1.57500
ASSI ( resid 18 and name HN )
( resid 18 and name HD2 )
6.0 0.1 0.1 peak 342 weight 1.1 volume 67.66350 ppm1 8.55300 ppm2 1.42400
OR ( resid 18 and name HN )
( resid 18 and name HD1 )
ASSI ( resid 46 and name HN )
( resid 45 and name HG )
6.0 0.1 0.1 peak 343 weight 1.1 volume 161.88490 ppm1 8.60500 ppm2 1.47100
ASSI ( resid 50 and name HN )
( resid 11 and name HG21 )
6.0 0.1 0.1 peak 344 weight 1.1 volume 88.04270 ppm1 8.46300 ppm2 1.51900
ASSI ( attr store1 < 8.453 and attr store1 > 8.413 )
( attr store1 < 1.557 and attr store1 > 1.477 )
6.0 0.1 0.1 peak 345 volume 37.25200 ppm1 8.43300 ppm2 1.51700
ASSI ( resid 18 and name HN )
( resid 18 and name HB2 )
6.0 0.1 0.1 peak 346 weight 1.1 volume 346.57660 ppm1 8.55300 ppm2 1.66600
ASSI ( resid 40 and name HE1 )
( resid 38 and name HB )
6.0 0.1 0.1 peak 347 weight 1.1 volume 43.15460 ppm1 8.53000 ppm2 1.77500
ASSI ( resid 37 and name HN )
( resid 25 and name HB2 )
6.0 0.1 0.1 peak 348 weight 1.1 volume 431.49380 ppm1 8.46100 ppm2 1.70900
OR ( resid 37 and name HN )
( resid 25 and name HB1 )
ASSI ( resid 55 and name HN )
( resid 53 and name HB2 )
6.0 0.1 0.1 peak 349 weight 1.1 volume 225.33771 ppm1 8.44200 ppm2 1.87600
ASSI ( resid 69 and name HN )
( resid 68 and name HB2 )
6.0 0.1 0.1 peak 350 weight 1.1 volume 218.39870 ppm1 8.44800 ppm2 1.79200
ASSI ( resid 68 and name HN )
( resid 68 and name HB2 )
6.0 0.1 0.1 peak 351 weight 1.1 volume 134.27840 ppm1 8.32400 ppm2 1.79700
ASSI ( resid 68 and name HN )
( resid 68 and name HB1 )
6.0 0.1 0.1 peak 352 weight 1.1 volume 213.77710 ppm1 8.32400 ppm2 1.73400
ASSI ( resid 60 and name HN )
( resid 60 and name HB )
6.0 0.1 0.1 peak 353 weight 1.1 volume 696.49048 ppm1 8.26700 ppm2 1.74000
OR ( resid 60 and name HN )
( resid 63 and name HB2 )
OR ( resid 63 and name HN )
( resid 60 and name HB )
OR ( resid 63 and name HN )
( resid 63 and name HB2 )
ASSI ( resid 63 and name HN )
( resid 63 and name HB1 )
6.0 0.1 0.1 peak 354 weight 1.1 volume 692.32550 ppm1 8.27000 ppm2 1.93600
ASSI ( resid 60 and name HN )
( resid 59 and name HB )
6.0 0.1 0.1 peak 355 weight 1.1 volume 944.45227 ppm1 8.26900 ppm2 1.84800
OR ( resid 60 and name HN )
( resid 63 and name HG )
OR ( resid 63 and name HN )
( resid 59 and name HB )
OR ( resid 63 and name HN )
( resid 63 and name HG )
ASSI ( resid 31 and name HN )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 356 weight 1.1 volume 124.32130 ppm1 8.19900 ppm2 1.91500
OR ( resid 31 and name HN )
( resid 30 and name HB1 )
ASSI ( resid 31 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 357 weight 1.1 volume 85.14510 ppm1 8.20000 ppm2 1.50000
OR ( resid 31 and name HN )
( resid 27 and name HB1 )
ASSI ( resid 63 and name HN )
( resid 62 and name HB1 )
6.0 0.1 0.1 peak 358 weight 1.1 volume 396.79831 ppm1 8.27100 ppm2 1.58300
OR ( resid 63 and name HN )
( resid 62 and name HB2 )
OR ( resid 60 and name HN )
( resid 62 and name HB1 )
OR ( resid 60 and name HN )
( resid 62 and name HB2 )
ASSI ( resid 16 and name HN )
( resid 15 and name HG )
6.0 0.1 0.1 peak 359 weight 1.1 volume 136.15900 ppm1 8.23000 ppm2 1.57700
ASSI ( resid 28 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 360 weight 1.1 volume 440.45609 ppm1 8.23200 ppm2 1.50000
OR ( resid 28 and name HN )
( resid 27 and name HB1 )
ASSI ( resid 63 and name HN )
( resid 62 and name HG )
6.0 0.1 0.1 peak 361 weight 1.1 volume 141.09540 ppm1 8.27000 ppm2 1.46100
ASSI ( resid 68 and name HN )
( resid 68 and name HG1 )
6.0 0.1 0.1 peak 362 weight 1.1 volume 58.25950 ppm1 8.32700 ppm2 1.40200
OR ( resid 68 and name HN )
( resid 68 and name HG2 )
ASSI ( resid 29 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 363 weight 1.1 volume 160.71240 ppm1 8.33800 ppm2 1.50100
OR ( resid 29 and name HN )
( resid 27 and name HB1 )
ASSI ( resid 29 and name HN )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 364 weight 1.1 volume 29.01760 ppm1 8.33800 ppm2 1.92100
OR ( resid 29 and name HN )
( resid 30 and name HB2 )
ASSI ( resid 55 and name HN )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 365 weight 1.1 volume 56.10120 ppm1 8.44400 ppm2 2.20000
ASSI ( resid 68 and name HN )
( resid 67 and name HB )
6.0 0.1 0.1 peak 366 weight 1.1 volume 99.71200 ppm1 8.32300 ppm2 2.06800
ASSI ( resid 60 and name HN )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 367 weight 1.1 volume 49.93670 ppm1 8.26700 ppm2 2.21600
ASSI ( resid 31 and name HN )
( resid 30 and name HG1 )
6.0 0.1 0.1 peak 368 weight 1.1 volume 111.93770 ppm1 8.19700 ppm2 2.24800
ASSI ( resid 31 and name HN )
( resid 30 and name HG2 )
6.0 0.1 0.1 peak 369 weight 1.1 volume 88.46530 ppm1 8.19700 ppm2 2.29700
ASSI ( resid 29 and name HN )
( resid 30 and name HG1 )
6.0 0.1 0.1 peak 370 weight 1.1 volume 42.78560 ppm1 8.34000 ppm2 2.24800
ASSI ( resid 29 and name HN )
( resid 30 and name HG2 )
6.0 0.1 0.1 peak 371 weight 1.1 volume 34.63940 ppm1 8.33800 ppm2 2.30100
ASSI ( resid 55 and name HN )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 372 weight 1.1 volume 32.48740 ppm1 8.44400 ppm2 2.44500
ASSI ( resid 33 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 373 weight 1.1 volume 229.59579 ppm1 8.36200 ppm2 2.57000
ASSI ( resid 5 and name HN )
( resid 5 and name HB1 )
6.0 0.1 0.1 peak 374 weight 1.1 volume 394.80121 ppm1 8.32000 ppm2 2.57500
OR ( resid 5 and name HN )
( resid 32 and name HB2 )
ASSI ( resid 31 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 375 weight 1.1 volume 38.01980 ppm1 8.19700 ppm2 2.56900
ASSI ( resid 28 and name HN )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 376 weight 1.1 volume 94.84030 ppm1 8.23100 ppm2 2.73200
OR ( resid 28 and name HN )
( resid 35 and name HB2 )
ASSI ( resid 10 and name HN )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 377 weight 1.1 volume 385.91611 ppm1 8.28800 ppm2 2.80300
ASSI ( resid 5 and name HN )
( resid 5 and name HB2 )
6.0 0.1 0.1 peak 378 weight 1.1 volume 401.88721 ppm1 8.32000 ppm2 2.70600
ASSI ( resid 33 and name HN )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 379 weight 1.1 volume 757.52039 ppm1 8.36400 ppm2 2.74100
OR ( resid 33 and name HN )
( resid 33 and name HB1 )
ASSI ( resid 3 and name HN )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 380 weight 1.1 volume 153.61320 ppm1 8.46100 ppm2 2.80500
OR ( resid 3 and name HN )
( resid 10 and name HB2 )
OR ( resid 50 and name HN )
( resid 3 and name HB2 )
OR ( resid 50 and name HN )
( resid 10 and name HB2 )
ASSI ( resid 50 and name HN )
( resid 50 and name HB1 )
6.0 0.1 0.1 peak 381 weight 1.1 volume 450.60211 ppm1 8.46100 ppm2 2.72700
OR ( resid 50 and name HN )
( resid 3 and name HB1 )
OR ( resid 3 and name HN )
( resid 50 and name HB1 )
OR ( resid 3 and name HN )
( resid 3 and name HB1 )
ASSI ( resid 18 and name HN )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 382 weight 1.1 volume 52.15810 ppm1 8.55300 ppm2 2.94100
ASSI ( resid 29 and name HN )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 383 weight 1.1 volume 269.78510 ppm1 8.33800 ppm2 2.90100
ASSI ( resid 5 and name HN )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 384 weight 1.1 volume 153.18140 ppm1 8.32000 ppm2 2.96900
OR ( resid 5 and name HN )
( resid 68 and name HE1 )
OR ( resid 68 and name HN )
( resid 4 and name HB1 )
OR ( resid 68 and name HN )
( resid 68 and name HE1 )
ASSI ( resid 29 and name HN )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 385 weight 1.1 volume 162.01469 ppm1 8.33900 ppm2 3.02200
ASSI ( resid 5 and name HN )
( resid 4 and name HB2 )
6.0 0.1 0.1 peak 386 weight 1.1 volume 151.30341 ppm1 8.32000 ppm2 3.07500
ASSI ( resid 60 and name HN )
( resid 60 and name HA )
6.0 0.1 0.1 peak 387 weight 1.1 volume 536.38062 ppm1 8.26700 ppm2 2.92300
OR ( resid 63 and name HN )
( resid 60 and name HA )
ASSI ( resid 16 and name HN )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 388 weight 1.1 volume 415.05209 ppm1 8.23400 ppm2 2.93700
ASSI ( attr store1 < 8.25 and attr store1 > 8.21 )
( attr store1 < 3.08 and attr store1 > 3.0 )
6.0 0.1 0.1 peak 389 volume 48.33140 ppm1 8.23000 ppm2 3.04000
ASSI ( resid 31 and name HN )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 390 weight 1.1 volume 29.30570 ppm1 8.20000 ppm2 3.02600
ASSI ( resid 16 and name HN )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 391 weight 1.1 volume 265.14401 ppm1 8.23200 ppm2 3.25400
ASSI ( resid 10 and name HN )
( resid 9 and name HA1 )
6.0 0.1 0.1 peak 392 weight 1.1 volume 675.33362 ppm1 8.28800 ppm2 3.25100
ASSI ( attr store1 < 8.289 and attr store1 > 8.249 )
( attr store1 < 3.188 and attr store1 > 3.108 )
6.0 0.1 0.1 peak 393 volume 62.14540 ppm1 8.26900 ppm2 3.14800
ASSI ( resid 50 and name HN )
( resid 50 and name HB1 )
6.0 0.1 0.1 peak 394 weight 1.1 volume 291.30991 ppm1 8.46400 ppm2 3.12500
ASSI ( resid 55 and name HN )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 395 weight 1.1 volume 453.92349 ppm1 8.44100 ppm2 3.15700
OR ( resid 55 and name HN )
( resid 58 and name HB1 )
ASSI ( resid 18 and name HN )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 396 weight 1.1 volume 69.58230 ppm1 8.55300 ppm2 3.25500
ASSI ( resid 50 and name HN )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 397 weight 1.1 volume 104.46950 ppm1 8.46300 ppm2 3.35800
ASSI ( resid 40 and name HE1 )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 398 weight 1.1 volume 8.80330 ppm1 8.53000 ppm2 3.32300
ASSI ( resid 33 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 399 weight 1.1 volume 316.20209 ppm1 8.36300 ppm2 3.39400
ASSI ( resid 10 and name HN )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 400 weight 1.1 volume 198.42970 ppm1 8.28800 ppm2 3.35800
ASSI ( resid 60 and name HN )
( resid 59 and name HA )
6.0 0.1 0.1 peak 401 weight 1.1 volume 134.79539 ppm1 8.26800 ppm2 3.44200
OR ( resid 63 and name HN )
( resid 59 and name HA )
ASSI ( resid 31 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 402 weight 1.1 volume 19.90820 ppm1 8.19900 ppm2 3.39500
ASSI ( resid 31 and name HN )
( resid 31 and name HA1 )
6.0 0.1 0.1 peak 403 weight 1.1 volume 625.63623 ppm1 8.19700 ppm2 3.52500
ASSI ( resid 60 and name HN )
( resid 57 and name HA )
6.0 0.1 0.1 peak 404 weight 1.1 volume 104.65690 ppm1 8.26300 ppm2 3.58500
ASSI ( resid 10 and name HN )
( resid 9 and name HA2 )
6.0 0.1 0.1 peak 405 weight 1.1 volume 742.89539 ppm1 8.28800 ppm2 3.62100
ASSI ( resid 55 and name HN )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 406 weight 1.1 volume 345.65491 ppm1 8.44100 ppm2 3.56100
ASSI ( resid 55 and name HN )
( resid 54 and name HB )
6.0 0.1 0.1 peak 407 weight 1.1 volume 192.07100 ppm1 8.44100 ppm2 3.62100
ASSI ( resid 50 and name HN )
( resid 51 and name HD2 )
6.0 0.1 0.1 peak 408 weight 1.1 volume 85.68130 ppm1 8.47100 ppm2 3.50200
OR ( resid 50 and name HN )
( resid 48 and name HB1 )
ASSI ( resid 3 and name HN )
( resid 2 and name HB2 )
6.0 0.1 0.1 peak 409 weight 1.1 volume 93.73840 ppm1 8.46800 ppm2 3.75700
OR ( resid 3 and name HN )
( resid 2 and name HB1 )
ASSI ( resid 18 and name HN )
( resid 17 and name HD2 )
6.0 0.1 0.1 peak 410 weight 1.1 volume 149.13120 ppm1 8.55400 ppm2 3.84600
OR ( resid 18 and name HN )
( resid 17 and name HD1 )
ASSI ( resid 18 and name HN )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 411 weight 1.1 volume 16.03510 ppm1 8.55400 ppm2 3.57700
ASSI ( attr store1 < 8.49 and attr store1 > 8.45 )
( attr store1 < 3.876 and attr store1 > 3.796 )
6.0 0.1 0.1 peak 412 volume 24.43120 ppm1 8.47000 ppm2 3.83600
ASSI ( resid 16 and name HE1 )
( resid 17 and name HD2 )
6.0 0.1 0.1 peak 413 weight 1.1 volume 38.74290 ppm1 8.43100 ppm2 3.85000
ASSI ( resid 29 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 414 weight 1.1 volume 955.63599 ppm1 8.33900 ppm2 3.85400
OR ( resid 33 and name HN )
( resid 28 and name HA )
ASSI ( resid 63 and name HN )
( resid 62 and name HA )
6.0 0.1 0.1 peak 415 weight 1.1 volume 188.70270 ppm1 8.27000 ppm2 3.92000
ASSI ( resid 28 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 416 weight 1.1 volume 473.27499 ppm1 8.23100 ppm2 3.85300
OR ( resid 28 and name HN )
( resid 17 and name HD2 )
OR ( resid 28 and name HN )
( resid 17 and name HD1 )
OR ( resid 16 and name HN )
( resid 28 and name HA )
OR ( resid 16 and name HN )
( resid 17 and name HD2 )
OR ( resid 16 and name HN )
( resid 17 and name HD1 )
ASSI ( resid 63 and name HN )
( resid 64 and name HB1 )
6.0 0.1 0.1 peak 417 weight 1.1 volume 45.86160 ppm1 8.26900 ppm2 4.01700
OR ( resid 63 and name HN )
( resid 64 and name HB2 )
ASSI ( resid 50 and name HN )
( resid 51 and name HD1 )
6.0 0.1 0.1 peak 418 weight 1.1 volume 179.76610 ppm1 8.46800 ppm2 4.03600
ASSI ( resid 40 and name HE1 )
( resid 24 and name HB )
6.0 0.1 0.1 peak 419 weight 1.1 volume 44.22100 ppm1 8.52900 ppm2 4.01100
ASSI ( resid 18 and name HN )
( resid 17 and name HA )
6.0 0.1 0.1 peak 420 weight 1.1 volume 69.74790 ppm1 8.55300 ppm2 3.97700
ASSI ( resid 18 and name HN )
( resid 18 and name HA )
6.0 0.1 0.1 peak 421 weight 1.1 volume 373.73911 ppm1 8.55300 ppm2 4.07700
ASSI ( resid 68 and name HN )
( resid 67 and name HA )
6.0 0.1 0.1 peak 422 weight 1.1 volume 773.56512 ppm1 8.32300 ppm2 4.09600
ASSI ( resid 60 and name HN )
( resid 58 and name HA )
6.0 0.1 0.1 peak 423 weight 1.1 volume 34.71820 ppm1 8.26900 ppm2 4.13900
ASSI ( resid 40 and name HE1 )
( resid 24 and name HA )
6.0 0.1 0.1 peak 424 weight 1.1 volume 13.88580 ppm1 8.53000 ppm2 4.35500
ASSI ( resid 69 and name HN )
( resid 68 and name HA )
6.0 0.1 0.1 peak 425 weight 1.1 volume 755.28278 ppm1 8.44800 ppm2 4.28400
OR ( resid 69 and name HN )
( resid 54 and name HA )
OR ( resid 55 and name HN )
( resid 68 and name HA )
OR ( resid 55 and name HN )
( resid 54 and name HA )
ASSI ( resid 37 and name HN )
( resid 37 and name HA )
6.0 0.1 0.1 peak 426 weight 1.1 volume 103.08920 ppm1 8.47200 ppm2 4.37800
ASSI ( resid 3 and name HN )
( resid 2 and name HA )
6.0 0.1 0.1 peak 427 weight 1.1 volume 522.34271 ppm1 8.46500 ppm2 4.46500
ASSI ( resid 55 and name HN )
( resid 55 and name HA )
6.0 0.1 0.1 peak 428 weight 1.1 volume 400.69501 ppm1 8.44000 ppm2 4.46100
ASSI ( resid 68 and name HN )
( resid 68 and name HA )
6.0 0.1 0.1 peak 429 weight 1.1 volume 278.88800 ppm1 8.32500 ppm2 4.28300
ASSI ( resid 63 and name HN )
( resid 63 and name HA )
6.0 0.1 0.1 peak 430 weight 1.1 volume 652.09711 ppm1 8.26700 ppm2 4.26800
ASSI ( resid 31 and name HN )
( resid 31 and name HA2 )
6.0 0.1 0.1 peak 431 weight 1.1 volume 844.65167 ppm1 8.19600 ppm2 4.25700
ASSI ( resid 16 and name HN )
( resid 15 and name HA )
6.0 0.1 0.1 peak 432 weight 1.1 volume 757.28387 ppm1 8.23100 ppm2 4.25800
ASSI ( resid 37 and name HN )
( resid 36 and name HA )
6.0 0.1 0.1 peak 433 weight 1.1 volume 571.30591 ppm1 8.46082 ppm2 4.66395
OR ( resid 37 and name HN )
( resid 50 and name HA )
OR ( resid 37 and name HN )
( resid 3 and name HA )
OR ( resid 37 and name HN )
( resid 69 and name HA )
OR ( resid 50 and name HN )
( resid 36 and name HA )
OR ( resid 50 and name HN )
( resid 50 and name HA )
OR ( resid 50 and name HN )
( resid 3 and name HA )
OR ( resid 50 and name HN )
( resid 69 and name HA )
OR ( resid 3 and name HN )
( resid 36 and name HA )
OR ( resid 3 and name HN )
( resid 50 and name HA )
OR ( resid 3 and name HN )
( resid 3 and name HA )
OR ( resid 3 and name HN )
( resid 69 and name HA )
OR ( resid 69 and name HN )
( resid 36 and name HA )
OR ( resid 69 and name HN )
( resid 50 and name HA )
OR ( resid 69 and name HN )
( resid 3 and name HA )
OR ( resid 69 and name HN )
( resid 69 and name HA )
ASSI ( attr store1 < 8.489 and attr store1 > 8.449 )
( attr store1 < 4.863 and attr store1 > 4.783 )
6.0 0.1 0.1 peak 434 volume 72.00140 ppm1 8.46900 ppm2 4.82300
ASSI ( resid 33 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 435 weight 1.1 volume 466.06329 ppm1 8.36500 ppm2 4.63500
ASSI ( resid 5 and name HN )
( resid 5 and name HA )
6.0 0.1 0.1 peak 436 weight 1.1 volume 544.72589 ppm1 8.32000 ppm2 4.60600
ASSI ( resid 29 and name HN )
( resid 29 and name HA )
6.0 0.1 0.1 peak 437 weight 1.1 volume 734.57178 ppm1 8.33800 ppm2 4.55500
ASSI ( resid 5 and name HN )
( resid 4 and name HA )
6.0 0.1 0.1 peak 438 weight 1.1 volume 989.94458 ppm1 8.31900 ppm2 4.50600
ASSI ( resid 63 and name HN )
( resid 64 and name HA )
6.0 0.1 0.1 peak 439 weight 1.1 volume 72.08930 ppm1 8.27300 ppm2 4.55700
ASSI ( resid 31 and name HN )
( resid 30 and name HA )
6.0 0.1 0.1 peak 440 weight 1.1 volume 451.65091 ppm1 8.19700 ppm2 4.49600
ASSI ( resid 31 and name HN )
( resid 29 and name HA )
6.0 0.1 0.1 peak 441 weight 1.1 volume 158.82300 ppm1 8.19700 ppm2 4.55200
ASSI ( resid 4 and name HN )
( resid 4 and name HA )
6.0 0.1 0.1 peak 442 weight 1.1 volume 367.08041 ppm1 8.14600 ppm2 4.50800
ASSI ( resid 58 and name HN )
( resid 55 and name HA )
6.0 0.1 0.1 peak 443 weight 1.1 volume 233.17590 ppm1 8.08100 ppm2 4.46400
ASSI ( resid 13 and name HN )
( resid 11 and name HA )
6.0 0.1 0.1 peak 444 weight 1.1 volume 180.72610 ppm1 8.08800 ppm2 4.50200
ASSI ( resid 4 and name HN )
( resid 3 and name HA )
6.0 0.1 0.1 peak 445 weight 1.1 volume 740.52722 ppm1 8.14700 ppm2 4.65900
ASSI ( resid 28 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 446 weight 1.1 volume 71.13060 ppm1 8.23200 ppm2 4.63400
ASSI ( resid 66 and name HN )
( resid 64 and name HA )
6.0 0.1 0.1 peak 447 weight 1.1 volume 44.91960 ppm1 8.12300 ppm2 4.55800
ASSI ( resid 28 and name HN )
( resid 34 and name HA )
6.0 0.1 0.1 peak 448 weight 1.1 volume 27.72400 ppm1 8.23100 ppm2 4.69300
ASSI ( resid 16 and name HE1 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 449 weight 1.1 volume 28.41000 ppm1 8.43200 ppm2 4.88800
ASSI ( resid 50 and name HN )
( resid 10 and name HA )
6.0 0.1 0.1 peak 450 weight 1.1 volume 64.22910 ppm1 8.46100 ppm2 4.92000
ASSI ( resid 50 and name HN )
( resid 49 and name HA )
6.0 0.1 0.1 peak 451 weight 1.1 volume 434.47870 ppm1 8.46000 ppm2 5.05300
ASSI ( resid 33 and name HN )
( resid 32 and name HA )
6.0 0.1 0.1 peak 452 weight 1.1 volume 871.81488 ppm1 8.36400 ppm2 4.98200
ASSI ( resid 10 and name HN )
( resid 10 and name HA )
6.0 0.1 0.1 peak 453 weight 1.1 volume 276.52060 ppm1 8.28600 ppm2 4.92400
ASSI ( resid 28 and name HN )
( resid 27 and name HA )
6.0 0.1 0.1 peak 454 weight 1.1 volume 911.10419 ppm1 8.23100 ppm2 4.94200
ASSI ( resid 16 and name HN )
( resid 16 and name HA )
6.0 0.1 0.1 peak 455 weight 1.1 volume 424.90439 ppm1 8.23100 ppm2 4.89600
ASSI ( resid 13 and name HN )
( resid 12 and name HA )
6.0 0.1 0.1 peak 456 weight 1.1 volume 197.42630 ppm1 8.08600 ppm2 4.91100
ASSI ( resid 28 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 457 weight 1.1 volume 195.27440 ppm1 8.23100 ppm2 5.19800
ASSI ( resid 6 and name HN )
( resid 32 and name HA )
6.0 0.1 0.1 peak 458 weight 1.1 volume 50.29070 ppm1 8.02300 ppm2 4.98200
ASSI ( resid 6 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 459 weight 1.1 volume 13.47880 ppm1 8.02600 ppm2 5.19800
ASSI ( resid 16 and name HN )
( resid 15 and name HN )
6.0 0.1 0.1 peak 460 weight 1.1 volume 47.49710 ppm1 8.23100 ppm2 5.52300
ASSI ( resid 40 and name HE1 )
( resid 46 and name HA )
6.0 0.1 0.1 peak 461 weight 1.1 volume 25.61770 ppm1 8.52900 ppm2 5.46700
ASSI ( resid 55 and name HN )
( resid 56 and name HN )
6.0 0.1 0.1 peak 462 weight 1.1 volume 238.73740 ppm1 8.44200 ppm2 5.77900
ASSI ( resid 58 and name HN )
( resid 56 and name HN )
6.0 0.1 0.1 peak 463 weight 1.1 volume 54.90090 ppm1 8.08000 ppm2 5.78000
ASSI ( resid 40 and name HE1 )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 464 weight 1.1 volume 27.92680 ppm1 8.52900 ppm2 6.90300
ASSI ( resid 50 and name HN )
( resid 50 and name HD21 )
6.0 0.1 0.1 peak 465 weight 1.1 volume 347.07031 ppm1 8.46300 ppm2 6.86700
OR ( resid 50 and name HN )
( resid 10 and name HD1 )
OR ( resid 50 and name HN )
( resid 10 and name HD2 )
OR ( resid 50 and name HN )
( resid 69 and name HD21 )
OR ( resid 50 and name HN )
( resid 3 and name HD22 )
OR ( resid 37 and name HN )
( resid 50 and name HD21 )
OR ( resid 37 and name HN )
( resid 10 and name HD1 )
OR ( resid 37 and name HN )
( resid 10 and name HD2 )
OR ( resid 37 and name HN )
( resid 69 and name HD21 )
OR ( resid 37 and name HN )
( resid 3 and name HD22 )
OR ( resid 69 and name HN )
( resid 50 and name HD21 )
OR ( resid 69 and name HN )
( resid 10 and name HD1 )
OR ( resid 69 and name HN )
( resid 10 and name HD2 )
OR ( resid 69 and name HN )
( resid 69 and name HD21 )
OR ( resid 69 and name HN )
( resid 3 and name HD22 )
OR ( resid 3 and name HN )
( resid 50 and name HD21 )
OR ( resid 3 and name HN )
( resid 10 and name HD1 )
OR ( resid 3 and name HN )
( resid 10 and name HD2 )
OR ( resid 3 and name HN )
( resid 69 and name HD21 )
OR ( resid 3 and name HN )
( resid 3 and name HD22 )
ASSI ( resid 10 and name HN )
( resid 10 and name HD1 )
6.0 0.1 0.1 peak 466 weight 1.1 volume 250.49451 ppm1 8.28900 ppm2 6.86600
OR ( resid 10 and name HN )
( resid 10 and name HD2 )
ASSI ( attr store1 < 8.287 and attr store1 > 8.247 )
( attr store1 < 6.787 and attr store1 > 6.707 )
6.0 0.1 0.1 peak 467 volume 77.16890 ppm1 8.26700 ppm2 6.74700
ASSI ( resid 58 and name HN )
( resid 58 and name HE2 )
6.0 0.1 0.1 peak 468 weight 1.1 volume 22.56890 ppm1 8.08000 ppm2 6.74300
OR ( resid 58 and name HN )
( resid 58 and name HE1 )
ASSI ( resid 50 and name HN )
( resid 53 and name HE22 )
6.0 0.1 0.1 peak 469 weight 1.1 volume 32.21400 ppm1 8.46500 ppm2 7.03500
ASSI ( attr store1 < 8.476 and attr store1 > 8.436 )
( attr store1 < 7.198 and attr store1 > 7.118 )
6.0 0.1 0.1 peak 470 volume 79.14600 ppm1 8.45600 ppm2 7.15800
ASSI ( resid 16 and name HE1 )
( resid 16 and name HD2 )
6.0 0.1 0.1 peak 471 weight 1.1 volume 20.23690 ppm1 8.43300 ppm2 7.21600
ASSI ( resid 5 and name HN )
( resid 4 and name HD2 )
6.0 0.1 0.1 peak 472 weight 1.1 volume 56.59960 ppm1 8.32300 ppm2 7.18300
OR ( resid 5 and name HN )
( resid 4 and name HD1 )
ASSI ( attr store1 < 8.288 and attr store1 > 8.248 )
( attr store1 < 7.149 and attr store1 > 7.069 )
6.0 0.1 0.1 peak 473 volume 193.91290 ppm1 8.26800 ppm2 7.10900
ASSI ( resid 28 and name HN )
( resid 35 and name HD22 )
6.0 0.1 0.1 peak 474 weight 1.1 volume 38.32160 ppm1 8.23200 ppm2 7.14200
ASSI ( resid 4 and name HN )
( resid 4 and name HD1 )
6.0 0.1 0.1 peak 475 weight 1.1 volume 113.73960 ppm1 8.14800 ppm2 7.18100
OR ( resid 4 and name HN )
( resid 4 and name HD2 )
ASSI ( resid 16 and name HN )
( resid 16 and name HD2 )
6.0 0.1 0.1 peak 476 weight 1.1 volume 77.38720 ppm1 8.23200 ppm2 7.21900
ASSI ( resid 10 and name HN )
( resid 9 and name HN )
6.0 0.1 0.1 peak 477 weight 1.1 volume 132.16431 ppm1 8.28900 ppm2 7.26400
ASSI ( resid 33 and name HN )
( resid 34 and name HN )
6.0 0.1 0.1 peak 478 weight 1.1 volume 348.70679 ppm1 8.36400 ppm2 7.25900
ASSI ( attr store1 < 8.286 and attr store1 > 8.246 )
( attr store1 < 6.886 and attr store1 > 6.806 )
6.0 0.1 0.1 peak 479 volume 78.60240 ppm1 8.26600 ppm2 6.84600
ASSI ( resid 55 and name HN )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 480 weight 1.1 volume 52.58800 ppm1 8.44100 ppm2 7.35200
ASSI ( attr store1 < 8.252 and attr store1 > 8.212 )
( attr store1 < 7.335 and attr store1 > 7.255 )
6.0 0.1 0.1 peak 481 volume 68.78320 ppm1 8.23200 ppm2 7.29500
ASSI ( resid 40 and name HN )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 482 weight 1.1 volume 87.82490 ppm1 8.72200 ppm2 6.90200
ASSI ( resid 40 and name HN )
( resid 39 and name HD1 )
6.0 0.1 0.1 peak 483 weight 1.1 volume 238.40109 ppm1 8.72300 ppm2 7.14200
OR ( resid 40 and name HN )
( resid 39 and name HD2 )
ASSI ( attr store1 < 8.797 and attr store1 > 8.757 )
( attr store1 < 7.178 and attr store1 > 7.098 )
6.0 0.1 0.1 peak 484 volume 20.09220 ppm1 8.77700 ppm2 7.13800
ASSI ( resid 46 and name HN )
( resid 45 and name HN )
6.0 0.1 0.1 peak 485 weight 1.1 volume 70.51350 ppm1 8.60300 ppm2 7.16000
ASSI ( attr store1 < 8.742 and attr store1 > 8.702 )
( attr store1 < 7.338 and attr store1 > 7.258 )
6.0 0.1 0.1 peak 486 volume 26.00600 ppm1 8.72200 ppm2 7.29800
ASSI ( resid 18 and name HN )
( resid 19 and name HD2 )
6.0 0.1 0.1 peak 487 weight 1.1 volume 17.53480 ppm1 8.55300 ppm2 7.30100
ASSI ( resid 26 and name HN )
( resid 26 and name HE22 )
6.0 0.1 0.1 peak 488 weight 1.1 volume 21.84700 ppm1 8.79300 ppm2 7.10400
ASSI ( resid 26 and name HN )
( resid 26 and name HE21 )
6.0 0.1 0.1 peak 489 weight 1.1 volume 27.65900 ppm1 8.79100 ppm2 6.85100
ASSI ( resid 40 and name HN )
( resid 22 and name HN )
6.0 0.1 0.1 peak 490 weight 1.1 volume 228.66611 ppm1 8.72400 ppm2 7.76500
ASSI ( resid 42 and name HN )
( resid 43 and name HN )
6.0 0.1 0.1 peak 491 weight 1.1 volume 194.26720 ppm1 8.72300 ppm2 7.70100
ASSI ( resid 21 and name HN )
( resid 22 and name HN )
6.0 0.1 0.1 peak 492 weight 1.1 volume 449.94009 ppm1 8.77500 ppm2 7.76500
ASSI ( resid 42 and name HN )
( resid 44 and name HN )
6.0 0.1 0.1 peak 493 weight 1.1 volume 27.98760 ppm1 8.72400 ppm2 7.97400
ASSI ( resid 18 and name HN )
( resid 20 and name HN )
6.0 0.1 0.1 peak 494 weight 1.1 volume 22.38510 ppm1 8.55300 ppm2 7.71800
ASSI ( resid 18 and name HN )
( resid 19 and name HN )
6.0 0.1 0.1 peak 495 weight 1.1 volume 222.65990 ppm1 8.55300 ppm2 7.77200
ASSI ( attr store1 < 8.48 and attr store1 > 8.44 )
( attr store1 < 7.751 and attr store1 > 7.671 )
6.0 0.1 0.1 peak 496 volume 33.36010 ppm1 8.46000 ppm2 7.71100
ASSI ( resid 55 and name HN )
( resid 55 and name HD1 )
6.0 0.1 0.1 peak 497 weight 1.1 volume 428.13351 ppm1 8.44100 ppm2 7.57200
ASSI ( resid 60 and name HN )
( resid 59 and name HN )
6.0 0.1 0.1 peak 498 weight 1.1 volume 289.68689 ppm1 8.26700 ppm2 7.50900
ASSI ( resid 55 and name HN )
( resid 57 and name HN )
6.0 0.1 0.1 peak 499 weight 1.1 volume 123.11950 ppm1 8.44200 ppm2 7.51300
ASSI ( resid 63 and name HN )
( resid 65 and name HN )
6.0 0.1 0.1 peak 500 weight 1.1 volume 39.43860 ppm1 8.27000 ppm2 7.67800
ASSI ( resid 63 and name HN )
( resid 62 and name HN )
6.0 0.1 0.1 peak 501 weight 1.1 volume 319.21371 ppm1 8.27000 ppm2 7.75100
OR ( resid 60 and name HN )
( resid 62 and name HN )
ASSI ( resid 31 and name HN )
( resid 32 and name HN )
6.0 0.1 0.1 peak 502 weight 1.1 volume 883.75092 ppm1 8.19700 ppm2 7.84200
OR ( resid 31 and name HN )
( resid 30 and name HN )
ASSI ( resid 60 and name HN )
( resid 61 and name HN )
6.0 0.1 0.1 peak 503 weight 1.1 volume 613.01562 ppm1 8.26800 ppm2 7.87400
OR ( resid 60 and name HN )
( resid 64 and name HN )
OR ( resid 63 and name HN )
( resid 61 and name HN )
OR ( resid 63 and name HN )
( resid 64 and name HN )
ASSI ( resid 29 and name HN )
( resid 30 and name HN )
6.0 0.1 0.1 peak 504 weight 1.1 volume 428.01529 ppm1 8.34700 ppm2 7.83700
OR ( resid 29 and name HN )
( resid 32 and name HN )
OR ( resid 33 and name HN )
( resid 30 and name HN )
OR ( resid 33 and name HN )
( resid 32 and name HN )
ASSI ( resid 68 and name HN )
( resid 67 and name HN )
6.0 0.1 0.1 peak 505 weight 1.1 volume 333.15710 ppm1 8.32100 ppm2 8.02600
OR ( resid 68 and name HN )
( resid 6 and name HN )
OR ( resid 5 and name HN )
( resid 67 and name HN )
OR ( resid 5 and name HN )
( resid 6 and name HN )
ASSI ( resid 33 and name HN )
( resid 6 and name HN )
6.0 0.1 0.1 peak 506 weight 1.1 volume 50.70930 ppm1 8.36300 ppm2 8.02800
ASSI ( resid 69 and name HN )
( resid 70 and name HN )
6.0 0.1 0.1 peak 507 weight 1.1 volume 45.05070 ppm1 8.45100 ppm2 7.94600
ASSI ( resid 3 and name HN )
( resid 4 and name HN )
6.0 0.1 0.1 peak 508 weight 1.1 volume 124.53660 ppm1 8.46700 ppm2 8.14800
ASSI ( resid 28 and name HN )
( resid 35 and name HD21 )
6.0 0.1 0.1 peak 509 weight 1.1 volume 19.94480 ppm1 8.23100 ppm2 7.60900
ASSI ( resid 2 and name HN )
( resid 3 and name HN )
6.0 0.1 0.1 peak 510 weight 1.1 volume 30.34800 ppm1 8.66200 ppm2 8.46500
ASSI ( resid 47 and name HN )
( resid 39 and name HN )
6.0 0.1 0.1 peak 511 weight 1.1 volume 342.73779 ppm1 9.00500 ppm2 9.16500
ASSI ( resid 11 and name HN )
( resid 48 and name HN )
6.0 0.1 0.1 peak 512 weight 1.1 volume 62.47850 ppm1 8.92100 ppm2 9.07800
ASSI ( resid 38 and name HN )
( resid 24 and name HN )
6.0 0.1 0.1 peak 513 weight 1.1 volume 325.43909 ppm1 8.87200 ppm2 9.14100
OR ( resid 38 and name HN )
( resid 39 and name HN )
OR ( resid 23 and name HN )
( resid 24 and name HN )
OR ( resid 23 and name HN )
( resid 39 and name HN )
ASSI ( resid 26 and name HN )
( resid 25 and name HN )
6.0 0.1 0.1 peak 514 weight 1.1 volume 134.65199 ppm1 8.78800 ppm2 9.00000
ASSI ( resid 40 and name HN )
( resid 41 and name HN )
6.0 0.1 0.1 peak 515 weight 1.1 volume 150.35159 ppm1 8.72300 ppm2 8.95800
OR ( resid 42 and name HN )
( resid 41 and name HN )
ASSI ( resid 40 and name HN )
( resid 23 and name HN )
6.0 0.1 0.1 peak 516 weight 1.1 volume 126.85210 ppm1 8.72800 ppm2 8.87100
ASSI ( resid 12 and name HN )
( resid 11 and name HN )
6.0 0.1 0.1 peak 517 weight 1.1 volume 94.96820 ppm1 8.63400 ppm2 8.92000
ASSI ( resid 46 and name HN )
( resid 47 and name HN )
6.0 0.1 0.1 peak 518 weight 1.1 volume 72.92240 ppm1 8.60400 ppm2 9.00700
ASSI ( resid 40 and name HN )
( resid 39 and name HN )
6.0 0.1 0.1 peak 519 weight 1.1 volume 94.75270 ppm1 8.72100 ppm2 9.15300
OR ( resid 40 and name HN )
( resid 24 and name HN )
ASSI ( resid 55 and name HN )
( resid 54 and name HN )
6.0 0.1 0.1 peak 520 weight 1.1 volume 235.36501 ppm1 8.44000 ppm2 8.93000
OR ( resid 55 and name HN )
( resid 11 and name HN )
OR ( resid 50 and name HN )
( resid 54 and name HN )
OR ( resid 50 and name HN )
( resid 11 and name HN )
ASSI ( resid 10 and name HN )
( resid 11 and name HN )
6.0 0.1 0.1 peak 521 weight 1.1 volume 71.80340 ppm1 8.29100 ppm2 8.91700
ASSI ( resid 28 and name HN )
( resid 35 and name HN )
6.0 0.1 0.1 peak 522 weight 1.1 volume 27.14920 ppm1 8.23200 ppm2 8.86200
ASSI ( resid 28 and name HN )
( resid 27 and name HN )
6.0 0.1 0.1 peak 523 weight 1.1 volume 72.73990 ppm1 8.23200 ppm2 8.79100
ASSI ( resid 3 and name HN )
( resid 2 and name HN )
6.0 0.1 0.1 peak 524 weight 1.1 volume 71.81190 ppm1 8.46600 ppm2 8.65700
ASSI ( resid 35 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 525 weight 1.1 volume 74.77670 ppm1 8.86200 ppm2 9.49400
ASSI ( resid 26 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 526 weight 1.1 volume 174.56160 ppm1 8.79200 ppm2 9.49500
ASSI ( resid 37 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 527 weight 1.1 volume 38.18210 ppm1 8.47100 ppm2 9.49700
ASSI ( resid 50 and name HN )
( resid 49 and name HN )
6.0 0.1 0.1 peak 528 weight 1.1 volume 108.43330 ppm1 8.46800 ppm2 9.92900
OR ( resid 37 and name HN )
( resid 49 and name HN )
ASSI ( resid 55 and name HN )
( resid 55 and name HE1 )
6.0 0.1 0.1 peak 529 weight 1.1 volume 62.14540 ppm1 8.43900 ppm2 9.89800
ASSI ( resid 28 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 530 weight 1.1 volume 39.92560 ppm1 8.23200 ppm2 9.49600
ASSI ( resid 6 and name HN )
( resid 7 and name HN )
6.0 0.1 0.1 peak 531 weight 1.1 volume 199.09340 ppm1 8.02200 ppm2 10.17000
ASSI ( resid 6 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 532 weight 1.1 volume 13.35000 ppm1 8.02300 ppm2 9.49300
ASSI ( attr store1 < 8.103 and attr store1 > 8.063 )
( attr store1 < 8.96 and attr store1 > 8.88 )
6.0 0.1 0.1 peak 533 volume 21.18920 ppm1 8.08300 ppm2 8.92000
ASSI ( resid 44 and name HN )
( resid 41 and name HN )
6.0 0.1 0.1 peak 534 weight 1.1 volume 32.85320 ppm1 7.97300 ppm2 8.95700
ASSI ( attr store1 < 8.044 and attr store1 > 8.004 )
( attr store1 < 8.832 and attr store1 > 8.752 )
6.0 0.1 0.1 peak 535 volume 32.96280 ppm1 8.02400 ppm2 8.79200
ASSI ( resid 44 and name HN )
( resid 42 and name HN )
6.0 0.1 0.1 peak 536 weight 1.1 volume 25.79920 ppm1 7.97500 ppm2 8.72500
ASSI ( resid 13 and name HN )
( resid 12 and name HN )
6.0 0.1 0.1 peak 537 weight 1.1 volume 469.58981 ppm1 8.08600 ppm2 8.63400
ASSI ( resid 4 and name HN )
( resid 3 and name HN )
6.0 0.1 0.1 peak 538 weight 1.1 volume 184.76680 ppm1 8.14600 ppm2 8.46800
ASSI ( resid 70 and name HN )
( resid 69 and name HN )
6.0 0.1 0.1 peak 539 weight 1.1 volume 69.69660 ppm1 7.94500 ppm2 8.45100
ASSI ( resid 58 and name HN )
( resid 55 and name HN )
6.0 0.1 0.1 peak 540 weight 1.1 volume 26.01540 ppm1 8.08000 ppm2 8.44000
ASSI ( resid 6 and name HN )
( resid 5 and name HN )
6.0 0.1 0.1 peak 541 weight 1.1 volume 438.54349 ppm1 8.02300 ppm2 8.32200
OR ( resid 6 and name HN )
( resid 68 and name HN )
OR ( resid 67 and name HN )
( resid 5 and name HN )
OR ( resid 67 and name HN )
( resid 68 and name HN )
ASSI ( resid 66 and name HN )
( resid 64 and name HN )
6.0 0.1 0.1 peak 542 weight 1.1 volume 25.52320 ppm1 8.12100 ppm2 7.88800
ASSI ( attr store1 < 8.097 and attr store1 > 8.057 )
( attr store1 < 7.917 and attr store1 > 7.837 )
6.0 0.1 0.1 peak 543 volume 49.80890 ppm1 8.07700 ppm2 7.87700
ASSI ( resid 44 and name HN )
( resid 43 and name HN )
6.0 0.1 0.1 peak 544 weight 1.1 volume 335.73849 ppm1 7.97300 ppm2 7.70100
ASSI ( resid 64 and name HN )
( resid 65 and name HN )
6.0 0.1 0.1 peak 545 weight 1.1 volume 429.24301 ppm1 7.89200 ppm2 7.67800
ASSI ( resid 61 and name HN )
( resid 59 and name HN )
6.0 0.1 0.1 peak 546 weight 1.1 volume 54.95430 ppm1 7.86300 ppm2 7.51100
ASSI ( resid 58 and name HN )
( resid 59 and name HN )
6.0 0.1 0.1 peak 547 weight 1.1 volume 492.07709 ppm1 8.08000 ppm2 7.51200
OR ( resid 58 and name HN )
( resid 55 and name HZ2 )
OR ( resid 58 and name HN )
( resid 57 and name HN )
OR ( resid 13 and name HN )
( resid 59 and name HN )
OR ( resid 13 and name HN )
( resid 55 and name HZ2 )
OR ( resid 13 and name HN )
( resid 57 and name HN )
ASSI ( resid 66 and name HN )
( resid 65 and name HN )
6.0 0.1 0.1 peak 548 weight 1.1 volume 248.62621 ppm1 8.12300 ppm2 7.67800
ASSI ( resid 13 and name HN )
( resid 14 and name HN )
6.0 0.1 0.1 peak 549 weight 1.1 volume 76.96780 ppm1 8.08700 ppm2 7.66200
ASSI ( resid 6 and name HN )
( resid 34 and name HN )
6.0 0.1 0.1 peak 550 weight 1.1 volume 97.62640 ppm1 8.02300 ppm2 7.25800
ASSI ( attr store1 < 8.043 and attr store1 > 8.003 )
( attr store1 < 7.214 and attr store1 > 7.134 )
6.0 0.1 0.1 peak 551 volume 81.61650 ppm1 8.02300 ppm2 7.17400
ASSI ( resid 44 and name HN )
( resid 45 and name HN )
6.0 0.1 0.1 peak 552 weight 1.1 volume 338.95639 ppm1 7.97300 ppm2 7.16200
ASSI ( resid 6 and name HN )
( resid 26 and name HE22 )
6.0 0.1 0.1 peak 553 weight 1.1 volume 395.35971 ppm1 8.02300 ppm2 7.10000
ASSI ( resid 58 and name HN )
( resid 58 and name HD2 )
6.0 0.1 0.1 peak 554 weight 1.1 volume 184.99840 ppm1 8.08000 ppm2 7.10100
OR ( resid 58 and name HN )
( resid 58 and name HD1 )
ASSI ( attr store1 < 7.883 and attr store1 > 7.843 )
( attr store1 < 7.143 and attr store1 > 7.063 )
6.0 0.1 0.1 peak 555 volume 44.76600 ppm1 7.86300 ppm2 7.10300
ASSI ( attr store1 < 7.91 and attr store1 > 7.87 )
( attr store1 < 7.143 and attr store1 > 7.063 )
6.0 0.1 0.1 peak 556 volume 65.38440 ppm1 7.89000 ppm2 7.10300
ASSI ( resid 19 and name HN )
( resid 19 and name HD2 )
6.0 0.1 0.1 peak 557 weight 1.1 volume 133.55710 ppm1 7.77200 ppm2 7.29700
OR ( resid 19 and name HN )
( resid 19 and name HD1 )
ASSI ( attr store1 < 7.871 and attr store1 > 7.831 )
( attr store1 < 7.297 and attr store1 > 7.217 )
6.0 0.1 0.1 peak 558 volume 13.40070 ppm1 7.85100 ppm2 7.25700
ASSI ( attr store1 < 7.739 and attr store1 > 7.699 )
( attr store1 < 7.338 and attr store1 > 7.258 )
6.0 0.1 0.1 peak 559 volume 19.67780 ppm1 7.71900 ppm2 7.29800
ASSI ( attr store1 < 7.784 and attr store1 > 7.744 )
( attr store1 < 7.184 and attr store1 > 7.104 )
6.0 0.1 0.1 peak 560 volume 55.33620 ppm1 7.76400 ppm2 7.14400
ASSI ( attr store1 < 7.772 and attr store1 > 7.732 )
( attr store1 < 7.144 and attr store1 > 7.064 )
6.0 0.1 0.1 peak 561 volume 31.85750 ppm1 7.75200 ppm2 7.10400
ASSI ( resid 53 and name HE21 )
( resid 53 and name HN )
6.0 0.1 0.1 peak 562 weight 1.1 volume 191.37289 ppm1 7.70900 ppm2 7.15600
OR ( resid 53 and name HE21 )
( resid 45 and name HN )
OR ( resid 43 and name HN )
( resid 53 and name HN )
OR ( resid 43 and name HN )
( resid 45 and name HN )
ASSI ( resid 53 and name HE21 )
( resid 53 and name HE22 )
6.0 0.1 0.1 peak 563 weight 1.1 volume 1146.60083 ppm1 7.70900 ppm2 7.03800
ASSI ( resid 50 and name HD22 )
( resid 50 and name HD21 )
6.0 0.1 0.1 peak 564 weight 1.1 volume 245.41800 ppm1 7.70900 ppm2 6.86900
OR ( resid 50 and name HD22 )
( resid 3 and name HD22 )
OR ( resid 3 and name HD21 )
( resid 50 and name HD21 )
OR ( resid 3 and name HD21 )
( resid 3 and name HD22 )
ASSI ( attr store1 < 7.781 and attr store1 > 7.741 )
( attr store1 < 6.894 and attr store1 > 6.814 )
6.0 0.1 0.1 peak 565 volume 22.94340 ppm1 7.76100 ppm2 6.85400
ASSI ( resid 22 and name HN )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 566 weight 1.1 volume 15.50920 ppm1 7.76400 ppm2 6.90300
ASSI ( attr store1 < 7.776 and attr store1 > 7.736 )
( attr store1 < 6.784 and attr store1 > 6.704 )
6.0 0.1 0.1 peak 567 volume 18.05470 ppm1 7.75600 ppm2 6.74400
ASSI ( resid 64 and name HN )
( resid 23 and name HD1 )
6.0 0.1 0.1 peak 568 weight 1.1 volume 15.44280 ppm1 7.89200 ppm2 6.85000
ASSI ( resid 22 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 569 weight 1.1 volume 14.02020 ppm1 7.76600 ppm2 5.91400
ASSI ( resid 22 and name HN )
( resid 40 and name HA )
6.0 0.1 0.1 peak 570 weight 1.1 volume 17.38970 ppm1 7.76600 ppm2 5.55300
ASSI ( resid 22 and name HN )
( resid 41 and name HA )
6.0 0.1 0.1 peak 571 weight 1.1 volume 92.88900 ppm1 7.76500 ppm2 5.41100
ASSI ( resid 20 and name HN )
( resid 41 and name HA )
6.0 0.1 0.1 peak 572 weight 1.1 volume 127.31610 ppm1 7.70900 ppm2 5.41100
OR ( resid 43 and name HN )
( resid 41 and name HA )
ASSI ( resid 22 and name HN )
( resid 39 and name HA )
6.0 0.1 0.1 peak 573 weight 1.1 volume 37.58030 ppm1 7.76400 ppm2 5.09700
ASSI ( resid 32 and name HN )
( resid 32 and name HA )
6.0 0.1 0.1 peak 574 weight 1.1 volume 348.25229 ppm1 7.84700 ppm2 4.98200
ASSI ( resid 70 and name HN )
( resid 69 and name HA )
6.0 0.1 0.1 peak 575 weight 1.1 volume 254.34720 ppm1 7.94600 ppm2 4.66000
ASSI ( resid 6 and name HN )
( resid 5 and name HA )
6.0 0.1 0.1 peak 576 weight 1.1 volume 1028.56396 ppm1 8.02100 ppm2 4.60600
ASSI ( resid 6 and name HN )
( resid 4 and name HA )
6.0 0.1 0.1 peak 577 weight 1.1 volume 60.69480 ppm1 8.02000 ppm2 4.50400
ASSI ( resid 64 and name HN )
( resid 64 and name HA )
6.0 0.1 0.1 peak 578 weight 1.1 volume 363.10349 ppm1 7.89100 ppm2 4.55900
ASSI ( resid 30 and name HN )
( resid 29 and name HA )
6.0 0.1 0.1 peak 579 weight 1.1 volume 441.86060 ppm1 7.83400 ppm2 4.55500
ASSI ( resid 32 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 580 weight 1.1 volume 107.04150 ppm1 7.83800 ppm2 4.63300
ASSI ( resid 30 and name HN )
( resid 30 and name HA )
6.0 0.1 0.1 peak 581 weight 1.1 volume 442.51459 ppm1 7.83300 ppm2 4.49000
ASSI ( resid 19 and name HN )
( resid 19 and name HA )
6.0 0.1 0.1 peak 582 weight 1.1 volume 268.79541 ppm1 7.76900 ppm2 4.71700
ASSI ( resid 20 and name HN )
( resid 19 and name HA )
6.0 0.1 0.1 peak 583 weight 1.1 volume 169.42619 ppm1 7.71700 ppm2 4.71700
ASSI ( resid 43 and name HN )
( resid 41 and name HB )
6.0 0.1 0.1 peak 584 weight 1.1 volume 167.01140 ppm1 7.70000 ppm2 4.64300
ASSI ( resid 65 and name HN )
( resid 64 and name HA )
6.0 0.1 0.1 peak 585 weight 1.1 volume 314.81720 ppm1 7.67700 ppm2 4.55800
ASSI ( resid 22 and name HN )
( resid 21 and name HA )
6.0 0.1 0.1 peak 586 weight 1.1 volume 265.95770 ppm1 7.76400 ppm2 4.45700
ASSI ( resid 35 and name HD21 )
( resid 34 and name HA )
6.0 0.1 0.1 peak 587 weight 1.1 volume 18.57600 ppm1 7.60500 ppm2 4.69600
ASSI ( resid 6 and name HN )
( resid 6 and name HA )
6.0 0.1 0.1 peak 588 weight 1.1 volume 363.64471 ppm1 8.02200 ppm2 4.41400
ASSI ( resid 44 and name HN )
( resid 43 and name HA )
6.0 0.1 0.1 peak 589 weight 1.1 volume 208.29601 ppm1 7.97300 ppm2 4.36700
ASSI ( resid 67 and name HN )
( resid 66 and name HA )
6.0 0.1 0.1 peak 590 weight 1.1 volume 660.53857 ppm1 8.03100 ppm2 4.31500
ASSI ( resid 70 and name HN )
( resid 70 and name HA )
6.0 0.1 0.1 peak 591 weight 1.1 volume 119.33090 ppm1 7.94500 ppm2 4.26700
OR ( resid 70 and name HN )
( resid 68 and name HA )
ASSI ( resid 64 and name HN )
( resid 63 and name HA )
6.0 0.1 0.1 peak 592 weight 1.1 volume 235.43170 ppm1 7.89100 ppm2 4.26500
ASSI ( resid 32 and name HN )
( resid 31 and name HA2 )
6.0 0.1 0.1 peak 593 weight 1.1 volume 321.03699 ppm1 7.84300 ppm2 4.25700
ASSI ( resid 22 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 594 weight 1.1 volume 323.71170 ppm1 7.76400 ppm2 4.24900
OR ( resid 22 and name HN )
( resid 15 and name HA )
OR ( resid 19 and name HN )
( resid 20 and name HA )
OR ( resid 19 and name HN )
( resid 15 and name HA )
ASSI ( resid 22 and name HN )
( resid 22 and name HA1 )
6.0 0.1 0.1 peak 595 weight 1.1 volume 189.03650 ppm1 7.76300 ppm2 4.33700
ASSI ( resid 22 and name HN )
( resid 22 and name HA2 )
6.0 0.1 0.1 peak 596 weight 1.1 volume 185.48790 ppm1 7.76400 ppm2 4.38900
ASSI ( resid 43 and name HN )
( resid 43 and name HA )
6.0 0.1 0.1 peak 597 weight 1.1 volume 311.73569 ppm1 7.69700 ppm2 4.36800
ASSI ( resid 65 and name HN )
( resid 65 and name HA )
6.0 0.1 0.1 peak 598 weight 1.1 volume 543.82501 ppm1 7.67600 ppm2 4.25400
OR ( resid 65 and name HN )
( resid 63 and name HA )
ASSI ( resid 20 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 599 weight 1.1 volume 237.00320 ppm1 7.71900 ppm2 4.24800
OR ( resid 20 and name HN )
( resid 15 and name HA )
ASSI ( resid 66 and name HN )
( resid 66 and name HA )
6.0 0.1 0.1 peak 600 weight 1.1 volume 396.99100 ppm1 8.12500 ppm2 4.32300
ASSI ( resid 66 and name HN )
( resid 65 and name HA )
6.0 0.1 0.1 peak 601 weight 1.1 volume 853.39032 ppm1 8.12500 ppm2 4.25300
OR ( resid 66 and name HN )
( resid 63 and name HA )
ASSI ( resid 67 and name HN )
( resid 68 and name HA )
6.0 0.1 0.1 peak 602 weight 1.1 volume 69.05150 ppm1 8.03100 ppm2 4.25300
OR ( resid 67 and name HN )
( resid 63 and name HA )
OR ( resid 67 and name HN )
( resid 65 and name HA )
ASSI ( resid 14 and name HN )
( resid 13 and name HA )
6.0 0.1 0.1 peak 603 weight 1.1 volume 1040.52600 ppm1 7.65500 ppm2 4.16500
ASSI ( resid 62 and name HN )
( resid 58 and name HA )
6.0 0.1 0.1 peak 604 weight 1.1 volume 68.30030 ppm1 7.75100 ppm2 4.14800
ASSI ( resid 61 and name HN )
( resid 58 and name HA )
6.0 0.1 0.1 peak 605 weight 1.1 volume 119.85290 ppm1 7.86400 ppm2 4.14200
ASSI ( resid 44 and name HN )
( resid 42 and name HA )
6.0 0.1 0.1 peak 606 weight 1.1 volume 145.49809 ppm1 7.97300 ppm2 4.08200
ASSI ( resid 67 and name HN )
( resid 67 and name HA )
6.0 0.1 0.1 peak 607 weight 1.1 volume 270.43649 ppm1 8.02800 ppm2 4.09600
ASSI ( resid 58 and name HN )
( resid 58 and name HA )
6.0 0.1 0.1 peak 608 weight 1.1 volume 634.14941 ppm1 8.08400 ppm2 4.14900
OR ( resid 58 and name HN )
( resid 13 and name HA )
OR ( resid 13 and name HN )
( resid 58 and name HA )
OR ( resid 13 and name HN )
( resid 13 and name HA )
ASSI ( resid 44 and name HN )
( resid 44 and name HA )
6.0 0.1 0.1 peak 609 weight 1.1 volume 1060.25903 ppm1 7.97300 ppm2 3.95900
ASSI ( resid 66 and name HN )
( resid 64 and name HB1 )
6.0 0.1 0.1 peak 610 weight 1.1 volume 18.27650 ppm1 8.12500 ppm2 4.02400
ASSI ( resid 66 and name HN )
( resid 62 and name HA )
6.0 0.1 0.1 peak 611 weight 1.1 volume 24.59420 ppm1 8.12400 ppm2 3.92200
ASSI ( resid 32 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 612 weight 1.1 volume 184.73129 ppm1 7.82800 ppm2 3.85400
OR ( resid 30 and name HN )
( resid 28 and name HA )
ASSI ( resid 64 and name HN )
( resid 61 and name HA )
6.0 0.1 0.1 peak 613 weight 1.1 volume 224.06860 ppm1 7.89300 ppm2 3.87200
ASSI ( resid 64 and name HN )
( resid 62 and name HA )
6.0 0.1 0.1 peak 614 weight 1.1 volume 145.76550 ppm1 7.89100 ppm2 3.92400
ASSI ( resid 61 and name HN )
( resid 61 and name HA )
6.0 0.1 0.1 peak 615 weight 1.1 volume 390.64380 ppm1 7.86400 ppm2 3.87200
ASSI ( resid 4 and name HN )
( resid 2 and name HB2 )
6.0 0.1 0.1 peak 616 weight 1.1 volume 20.28340 ppm1 8.14700 ppm2 3.75700
OR ( resid 4 and name HN )
( resid 2 and name HB1 )
ASSI ( resid 64 and name HN )
( resid 64 and name HB1 )
6.0 0.1 0.1 peak 617 weight 1.1 volume 659.70331 ppm1 7.89100 ppm2 4.02000
OR ( resid 64 and name HN )
( resid 64 and name HB2 )
ASSI ( resid 19 and name HN )
( resid 18 and name HA )
6.0 0.1 0.1 peak 618 weight 1.1 volume 245.72600 ppm1 7.76900 ppm2 4.07700
ASSI ( resid 43 and name HN )
( resid 42 and name HA )
6.0 0.1 0.1 peak 619 weight 1.1 volume 306.17731 ppm1 7.70400 ppm2 4.07900
OR ( resid 43 and name HN )
( resid 18 and name HA )
OR ( resid 20 and name HN )
( resid 42 and name HA )
OR ( resid 20 and name HN )
( resid 18 and name HA )
ASSI ( resid 65 and name HN )
( resid 64 and name HB2 )
6.0 0.1 0.1 peak 620 weight 1.1 volume 189.66010 ppm1 7.67600 ppm2 4.01800
OR ( resid 65 and name HN )
( resid 64 and name HB1 )
ASSI ( resid 43 and name HN )
( resid 44 and name HA )
6.0 0.1 0.1 peak 621 weight 1.1 volume 139.58070 ppm1 7.69700 ppm2 3.95900
ASSI ( resid 65 and name HN )
( resid 62 and name HA )
6.0 0.1 0.1 peak 622 weight 1.1 volume 76.76140 ppm1 7.67700 ppm2 3.92100
ASSI ( resid 19 and name HN )
( resid 17 and name HA )
6.0 0.1 0.1 peak 623 weight 1.1 volume 162.39090 ppm1 7.77000 ppm2 3.97600
ASSI ( resid 62 and name HN )
( resid 61 and name HA )
6.0 0.1 0.1 peak 624 weight 1.1 volume 150.46660 ppm1 7.75100 ppm2 3.86800
ASSI ( resid 62 and name HN )
( resid 62 and name HA )
6.0 0.1 0.1 peak 625 weight 1.1 volume 483.40021 ppm1 7.75000 ppm2 3.92100
ASSI ( resid 58 and name HN )
( resid 57 and name HA )
6.0 0.1 0.1 peak 626 weight 1.1 volume 197.70061 ppm1 8.08100 ppm2 3.59700
ASSI ( resid 58 and name HN )
( resid 59 and name HA )
6.0 0.1 0.1 peak 627 weight 1.1 volume 25.75280 ppm1 8.08100 ppm2 3.44000
ASSI ( resid 6 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 628 weight 1.1 volume 137.16110 ppm1 8.02300 ppm2 3.39500
ASSI ( resid 61 and name HN )
( resid 59 and name HA )
6.0 0.1 0.1 peak 629 weight 1.1 volume 74.52280 ppm1 7.86200 ppm2 3.44000
ASSI ( resid 32 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 630 weight 1.1 volume 213.35750 ppm1 7.84400 ppm2 3.39400
ASSI ( resid 32 and name HN )
( resid 31 and name HA1 )
6.0 0.1 0.1 peak 631 weight 1.1 volume 255.96910 ppm1 7.84200 ppm2 3.52400
ASSI ( resid 61 and name HN )
( resid 57 and name HA )
6.0 0.1 0.1 peak 632 weight 1.1 volume 98.71530 ppm1 7.86200 ppm2 3.58800
ASSI ( resid 19 and name HN )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 633 weight 1.1 volume 362.01331 ppm1 7.76900 ppm2 3.58300
ASSI ( resid 20 and name HN )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 634 weight 1.1 volume 97.94930 ppm1 7.72000 ppm2 3.58300
ASSI ( resid 62 and name HN )
( resid 59 and name HA )
6.0 0.1 0.1 peak 635 weight 1.1 volume 159.52921 ppm1 7.75100 ppm2 3.44300
ASSI ( resid 22 and name HN )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 636 weight 1.1 volume 105.76620 ppm1 7.76300 ppm2 3.32400
ASSI ( resid 19 and name HN )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 637 weight 1.1 volume 24.78680 ppm1 7.77100 ppm2 3.25400
ASSI ( resid 61 and name HN )
( resid 61 and name HD1 )
6.0 0.1 0.1 peak 638 weight 1.1 volume 77.97790 ppm1 7.86400 ppm2 3.13600
OR ( resid 61 and name HN )
( resid 61 and name HD2 )
ASSI ( resid 50 and name HD22 )
( resid 50 and name HB1 )
6.0 0.1 0.1 peak 639 weight 1.1 volume 37.12210 ppm1 7.71000 ppm2 3.12400
OR ( resid 53 and name HE21 )
( resid 50 and name HB1 )
ASSI ( resid 62 and name HN )
( resid 61 and name HD2 )
6.0 0.1 0.1 peak 640 weight 1.1 volume 33.75820 ppm1 7.75000 ppm2 3.13700
OR ( resid 62 and name HN )
( resid 61 and name HD1 )
ASSI ( resid 6 and name HN )
( resid 4 and name HB2 )
6.0 0.1 0.1 peak 641 weight 1.1 volume 17.44170 ppm1 8.02100 ppm2 3.08300
ASSI ( resid 13 and name HN )
( resid 13 and name HD2 )
6.0 0.1 0.1 peak 642 weight 1.1 volume 91.18830 ppm1 8.08300 ppm2 3.05900
OR ( resid 13 and name HN )
( resid 13 and name HD1 )
ASSI ( resid 58 and name HN )
( resid 58 and name HB1 )
6.0 0.1 0.1 peak 643 weight 1.1 volume 1055.81372 ppm1 8.08000 ppm2 3.16600
OR ( resid 58 and name HN )
( resid 58 and name HB2 )
ASSI ( resid 4 and name HN )
( resid 4 and name HB2 )
6.0 0.1 0.1 peak 644 weight 1.1 volume 280.21439 ppm1 8.14700 ppm2 3.07600
ASSI ( resid 4 and name HN )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 645 weight 1.1 volume 365.03409 ppm1 8.14700 ppm2 2.96600
ASSI ( resid 20 and name HN )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 646 weight 1.1 volume 127.00650 ppm1 7.72300 ppm2 3.04100
ASSI ( resid 19 and name HN )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 647 weight 1.1 volume 517.94202 ppm1 7.77100 ppm2 3.04100
ASSI ( resid 30 and name HN )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 648 weight 1.1 volume 236.46899 ppm1 7.83100 ppm2 3.02500
ASSI ( resid 64 and name HN )
( resid 60 and name HA )
6.0 0.1 0.1 peak 649 weight 1.1 volume 66.92390 ppm1 7.89100 ppm2 2.92300
ASSI ( resid 30 and name HN )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 650 weight 1.1 volume 161.32680 ppm1 7.83600 ppm2 2.90100
ASSI ( resid 62 and name HN )
( resid 60 and name HA )
6.0 0.1 0.1 peak 651 weight 1.1 volume 124.81810 ppm1 7.76500 ppm2 2.93900
OR ( resid 62 and name HN )
( resid 16 and name HB1 )
OR ( resid 62 and name HN )
( resid 23 and name HB1 )
OR ( resid 19 and name HN )
( resid 60 and name HA )
OR ( resid 19 and name HN )
( resid 16 and name HB1 )
OR ( resid 19 and name HN )
( resid 23 and name HB1 )
OR ( resid 22 and name HN )
( resid 60 and name HA )
OR ( resid 22 and name HN )
( resid 16 and name HB1 )
OR ( resid 22 and name HN )
( resid 23 and name HB1 )
ASSI ( resid 22 and name HN )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 652 weight 1.1 volume 112.06980 ppm1 7.76400 ppm2 2.87200
ASSI ( resid 6 and name HN )
( resid 6 and name HB1 )
6.0 0.1 0.1 peak 653 weight 1.1 volume 481.24191 ppm1 8.02100 ppm2 2.86400
ASSI ( resid 58 and name HN )
( resid 56 and name HA )
6.0 0.1 0.1 peak 654 weight 1.1 volume 123.31830 ppm1 8.08400 ppm2 2.89400
OR ( resid 58 and name HN )
( resid 12 and name HB2 )
OR ( resid 13 and name HN )
( resid 56 and name HA )
OR ( resid 13 and name HN )
( resid 12 and name HB2 )
ASSI ( resid 13 and name HN )
( resid 12 and name HB1 )
6.0 0.1 0.1 peak 655 weight 1.1 volume 87.02350 ppm1 8.08300 ppm2 2.83200
ASSI ( resid 6 and name HN )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 656 weight 1.1 volume 20.82020 ppm1 8.02200 ppm2 2.96800
ASSI ( resid 61 and name HN )
( resid 60 and name HA )
6.0 0.1 0.1 peak 657 weight 1.1 volume 114.32330 ppm1 7.86200 ppm2 2.92000
ASSI ( resid 62 and name HN )
( resid 60 and name HA )
6.0 0.1 0.1 peak 658 weight 1.1 volume 42.96320 ppm1 7.73500 ppm2 2.92300
ASSI ( resid 4 and name HN )
( resid 3 and name HB1 )
6.0 0.1 0.1 peak 659 weight 1.1 volume 154.03641 ppm1 8.14700 ppm2 2.71900
OR ( resid 4 and name HN )
( resid 5 and name HB2 )
ASSI ( resid 6 and name HN )
( resid 6 and name HB2 )
6.0 0.1 0.1 peak 660 weight 1.1 volume 785.84888 ppm1 8.02200 ppm2 2.70100
OR ( resid 6 and name HN )
( resid 5 and name HB2 )
ASSI ( resid 6 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 661 weight 1.1 volume 239.28349 ppm1 8.02200 ppm2 2.57400
OR ( resid 6 and name HN )
( resid 5 and name HB1 )
ASSI ( resid 32 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 662 weight 1.1 volume 350.70831 ppm1 7.84400 ppm2 2.56800
OR ( resid 32 and name HN )
( resid 5 and name HB1 )
ASSI ( resid 32 and name HN )
( resid 5 and name HB2 )
6.0 0.1 0.1 peak 663 weight 1.1 volume 31.54970 ppm1 7.84300 ppm2 2.71100
ASSI ( resid 3 and name HD21 )
( resid 3 and name HB1 )
6.0 0.1 0.1 peak 664 weight 1.1 volume 234.04401 ppm1 7.71000 ppm2 2.73700
OR ( resid 3 and name HD21 )
( resid 50 and name HB2 )
OR ( resid 53 and name HE21 )
( resid 3 and name HB1 )
OR ( resid 53 and name HE21 )
( resid 50 and name HB2 )
OR ( resid 50 and name HD22 )
( resid 3 and name HB1 )
OR ( resid 50 and name HD22 )
( resid 50 and name HB2 )
ASSI ( resid 35 and name HD21 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 665 weight 1.1 volume 661.03387 ppm1 7.60600 ppm2 2.73300
OR ( resid 35 and name HD21 )
( resid 35 and name HB1 )
ASSI ( resid 58 and name HN )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 666 weight 1.1 volume 51.84940 ppm1 8.07800 ppm2 2.21700
ASSI ( resid 6 and name HN )
( resid 26 and name HG1 )
6.0 0.1 0.1 peak 667 weight 1.1 volume 257.03040 ppm1 8.02400 ppm2 2.26300
ASSI ( resid 30 and name HN )
( resid 30 and name HG2 )
6.0 0.1 0.1 peak 668 weight 1.1 volume 389.80231 ppm1 7.83100 ppm2 2.30000
ASSI ( resid 30 and name HN )
( resid 30 and name HG1 )
6.0 0.1 0.1 peak 669 weight 1.1 volume 316.87949 ppm1 7.83100 ppm2 2.24500
ASSI ( resid 22 and name HN )
( resid 21 and name HB )
6.0 0.1 0.1 peak 670 weight 1.1 volume 164.59760 ppm1 7.76400 ppm2 2.20100
ASSI ( resid 53 and name HE21 )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 671 weight 1.1 volume 83.25970 ppm1 7.71000 ppm2 2.19900
ASSI ( resid 14 and name HN )
( resid 14 and name HA )
6.0 0.1 0.1 peak 672 weight 1.1 volume 200.13480 ppm1 7.65600 ppm2 2.39000
ASSI ( resid 53 and name HE21 )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 673 weight 1.1 volume 25.16980 ppm1 7.70800 ppm2 2.44800
ASSI ( resid 67 and name HN )
( resid 67 and name HB )
6.0 0.1 0.1 peak 674 weight 1.1 volume 329.96091 ppm1 8.02800 ppm2 2.06300
ASSI ( resid 44 and name HN )
( resid 44 and name HB2 )
6.0 0.1 0.1 peak 675 weight 1.1 volume 173.43820 ppm1 7.97200 ppm2 2.10000
ASSI ( resid 44 and name HN )
( resid 44 and name HB1 )
6.0 0.1 0.1 peak 676 weight 1.1 volume 326.92581 ppm1 7.97400 ppm2 1.97200
ASSI ( resid 70 and name HN )
( resid 70 and name HB2 )
6.0 0.1 0.1 peak 677 weight 1.1 volume 121.42600 ppm1 7.94600 ppm2 1.92000
OR ( resid 70 and name HN )
( resid 17 and name HG2 )
OR ( resid 70 and name HN )
( resid 17 and name HG1 )
ASSI ( resid 43 and name HN )
( resid 43 and name HB1 )
6.0 0.1 0.1 peak 678 weight 1.1 volume 417.38980 ppm1 7.70100 ppm2 2.01000
ASSI ( resid 20 and name HN )
( resid 20 and name HB )
6.0 0.1 0.1 peak 679 weight 1.1 volume 709.60278 ppm1 7.71600 ppm2 1.89700
ASSI ( resid 65 and name HN )
( resid 65 and name HB1 )
6.0 0.1 0.1 peak 680 weight 1.1 volume 893.04572 ppm1 7.67700 ppm2 1.84400
ASSI ( resid 62 and name HN )
( resid 61 and name HB1 )
6.0 0.1 0.1 peak 681 weight 1.1 volume 196.01820 ppm1 7.75000 ppm2 1.80200
ASSI ( attr store1 < 7.785 and attr store1 > 7.745 )
( attr store1 < 1.938 and attr store1 > 1.858 )
6.0 0.1 0.1 peak 682 volume 406.23749 ppm1 7.76500 ppm2 1.89800
ASSI ( resid 30 and name HN )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 683 weight 1.1 volume 446.39810 ppm1 7.83100 ppm2 1.92000
OR ( resid 30 and name HN )
( resid 30 and name HB2 )
ASSI ( resid 64 and name HN )
( resid 63 and name HB1 )
6.0 0.1 0.1 peak 684 weight 1.1 volume 222.78439 ppm1 7.89200 ppm2 1.93000
ASSI ( resid 61 and name HN )
( resid 60 and name HB )
6.0 0.1 0.1 peak 685 weight 1.1 volume 401.03421 ppm1 7.86300 ppm2 1.73900
ASSI ( attr store1 < 7.912 and attr store1 > 7.872 )
( attr store1 < 1.885 and attr store1 > 1.805 )
6.0 0.1 0.1 peak 686 volume 362.68839 ppm1 7.89200 ppm2 1.84500
ASSI ( resid 61 and name HN )
( resid 61 and name HG1 )
6.0 0.1 0.1 peak 687 weight 1.1 volume 200.49561 ppm1 7.86300 ppm2 1.66400
ASSI ( resid 19 and name HN )
( resid 18 and name HB2 )
6.0 0.1 0.1 peak 688 weight 1.1 volume 136.99651 ppm1 7.76162 ppm2 1.66779
ASSI ( resid 43 and name HN )
( resid 43 and name HB2 )
6.0 0.1 0.1 peak 689 weight 1.1 volume 490.87271 ppm1 7.69900 ppm2 1.61800
ASSI ( resid 14 and name HN )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 690 weight 1.1 volume 444.52710 ppm1 7.65800 ppm2 1.59100
OR ( resid 14 and name HN )
( resid 13 and name HB2 )
ASSI ( resid 62 and name HN )
( resid 62 and name HB1 )
6.0 0.1 0.1 peak 691 weight 1.1 volume 824.34351 ppm1 7.75100 ppm2 1.58500
OR ( resid 62 and name HN )
( resid 62 and name HB2 )
ASSI ( resid 61 and name HN )
( resid 61 and name HB1 )
6.0 0.1 0.1 peak 692 weight 1.1 volume 476.97220 ppm1 7.86400 ppm2 1.80200
ASSI ( resid 65 and name HN )
( resid 65 and name HD1 )
6.0 0.1 0.1 peak 693 weight 1.1 volume 258.16449 ppm1 7.67400 ppm2 1.51000
OR ( resid 65 and name HN )
( resid 65 and name HD2 )
ASSI ( resid 20 and name HN )
( resid 20 and name HG11 )
6.0 0.1 0.1 peak 694 weight 1.1 volume 337.30130 ppm1 7.71800 ppm2 1.40200
ASSI ( resid 19 and name HN )
( resid 18 and name HD2 )
6.0 0.1 0.1 peak 695 weight 1.1 volume 140.76830 ppm1 7.76900 ppm2 1.40000
OR ( resid 19 and name HN )
( resid 20 and name HG11 )
OR ( resid 19 and name HN )
( resid 18 and name HD1 )
ASSI ( resid 62 and name HN )
( resid 62 and name HG )
6.0 0.1 0.1 peak 696 weight 1.1 volume 402.04739 ppm1 7.75100 ppm2 1.45800
ASSI ( resid 6 and name HN )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 697 weight 1.1 volume 79.98670 ppm1 8.02100 ppm2 1.90100
ASSI ( resid 67 and name HN )
( resid 66 and name HB1 )
6.0 0.1 0.1 peak 698 weight 1.1 volume 91.72420 ppm1 8.03100 ppm2 1.77400
ASSI ( resid 58 and name HN )
( resid 59 and name HB )
6.0 0.1 0.1 peak 699 weight 1.1 volume 146.93629 ppm1 8.08100 ppm2 1.84000
ASSI ( resid 66 and name HN )
( resid 66 and name HB2 )
6.0 0.1 0.1 peak 700 weight 1.1 volume 386.82190 ppm1 8.12500 ppm2 1.84600
OR ( resid 66 and name HN )
( resid 65 and name HB1 )
ASSI ( resid 66 and name HN )
( resid 66 and name HB1 )
6.0 0.1 0.1 peak 701 weight 1.1 volume 455.54050 ppm1 8.12600 ppm2 1.77300
ASSI ( resid 66 and name HN )
( resid 65 and name HB2 )
6.0 0.1 0.1 peak 702 weight 1.1 volume 88.63870 ppm1 8.12500 ppm2 1.67400
OR ( resid 66 and name HN )
( resid 66 and name HD2 )
OR ( resid 66 and name HN )
( resid 66 and name HD1 )
ASSI ( resid 58 and name HN )
( resid 57 and name HB2 )
6.0 0.1 0.1 peak 703 weight 1.1 volume 436.96289 ppm1 8.08000 ppm2 1.70800
OR ( resid 58 and name HN )
( resid 57 and name HB1 )
ASSI ( resid 67 and name HN )
( resid 66 and name HB2 )
6.0 0.1 0.1 peak 704 weight 1.1 volume 153.76390 ppm1 8.02800 ppm2 1.85300
ASSI ( resid 13 and name HN )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 705 weight 1.1 volume 470.65939 ppm1 8.08600 ppm2 1.58500
OR ( resid 13 and name HN )
( resid 13 and name HB2 )
ASSI ( resid 66 and name HN )
( resid 66 and name HG2 )
6.0 0.1 0.1 peak 706 weight 1.1 volume 161.16820 ppm1 8.12500 ppm2 1.47500
ASSI ( resid 13 and name HN )
( resid 13 and name HG1 )
6.0 0.1 0.1 peak 707 weight 1.1 volume 519.91638 ppm1 8.08800 ppm2 1.49800
OR ( resid 13 and name HN )
( resid 13 and name HG2 )
ASSI ( resid 44 and name HN )
( resid 43 and name HB2 )
6.0 0.1 0.1 peak 708 weight 1.1 volume 246.13251 ppm1 7.97300 ppm2 1.60700
OR ( resid 44 and name HN )
( resid 45 and name HB2 )
OR ( resid 44 and name HN )
( resid 45 and name HB1 )
ASSI ( resid 64 and name HN )
( resid 62 and name HB2 )
6.0 0.1 0.1 peak 709 weight 1.1 volume 62.28400 ppm1 7.88900 ppm2 1.58300
OR ( resid 64 and name HN )
( resid 62 and name HB1 )
ASSI ( resid 61 and name HN )
( resid 62 and name HB1 )
6.0 0.1 0.1 peak 710 weight 1.1 volume 60.04290 ppm1 7.86600 ppm2 1.58400
OR ( resid 61 and name HN )
( resid 62 and name HB2 )
ASSI ( resid 44 and name HN )
( resid 45 and name HG )
6.0 0.1 0.1 peak 711 weight 1.1 volume 71.37630 ppm1 7.97400 ppm2 1.47400
ASSI ( resid 61 and name HN )
( resid 61 and name HG2 )
6.0 0.1 0.1 peak 712 weight 1.1 volume 188.46210 ppm1 7.86100 ppm2 1.48300
ASSI ( resid 30 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 713 weight 1.1 volume 104.75150 ppm1 7.83000 ppm2 1.49900
OR ( resid 30 and name HN )
( resid 27 and name HB1 )
ASSI ( resid 67 and name HN )
( resid 66 and name HG2 )
6.0 0.1 0.1 peak 714 weight 1.1 volume 83.99020 ppm1 8.03200 ppm2 1.48800
ASSI ( resid 66 and name HN )
( resid 65 and name HG1 )
6.0 0.1 0.1 peak 715 weight 1.1 volume 131.72079 ppm1 8.12500 ppm2 1.41000
OR ( resid 66 and name HN )
( resid 66 and name HG1 )
OR ( resid 66 and name HN )
( resid 65 and name HG2 )
ASSI ( resid 58 and name HN )
( resid 57 and name HG1 )
6.0 0.1 0.1 peak 716 weight 1.1 volume 236.20799 ppm1 8.08100 ppm2 1.44200
ASSI ( resid 6 and name HN )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 717 weight 1.1 volume 76.89640 ppm1 8.02400 ppm2 1.35600
ASSI ( resid 44 and name HN )
( resid 44 and name HG1 )
6.0 0.1 0.1 peak 718 weight 1.1 volume 301.68231 ppm1 7.97300 ppm2 1.30500
OR ( resid 44 and name HN )
( resid 44 and name HG2 )
ASSI ( resid 58 and name HN )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 719 weight 1.1 volume 90.12090 ppm1 8.08100 ppm2 1.23400
OR ( resid 58 and name HN )
( resid 54 and name HG21 )
ASSI ( resid 13 and name HN )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 720 weight 1.1 volume 28.48770 ppm1 8.08300 ppm2 1.17200
ASSI ( resid 44 and name HN )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 721 weight 1.1 volume 28.43340 ppm1 7.97300 ppm2 1.16600
ASSI ( resid 30 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 722 weight 1.1 volume 84.58030 ppm1 7.83500 ppm2 1.08900
ASSI ( resid 19 and name HN )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 723 weight 1.1 volume 41.35940 ppm1 7.76500 ppm2 1.16400
ASSI ( resid 22 and name HN )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 724 weight 1.1 volume 520.48401 ppm1 7.76400 ppm2 1.04700
ASSI ( resid 20 and name HN )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 725 weight 1.1 volume 175.92529 ppm1 7.71800 ppm2 1.04700
ASSI ( resid 43 and name HN )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 726 weight 1.1 volume 96.14890 ppm1 7.70700 ppm2 1.16300
ASSI ( resid 14 and name HN )
( resid 14 and name HB )
6.0 0.1 0.1 peak 727 weight 1.1 volume 520.91278 ppm1 7.65700 ppm2 1.10000
ASSI ( resid 35 and name HD21 )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 728 weight 1.1 volume 117.17580 ppm1 7.60600 ppm2 1.08800
ASSI ( resid 29 and name HD22 )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 729 weight 1.1 volume 57.39840 ppm1 7.53600 ppm2 1.09100
ASSI ( resid 55 and name HD1 )
( resid 14 and name HB )
6.0 0.1 0.1 peak 730 weight 1.1 volume 34.20760 ppm1 7.57100 ppm2 1.09400
ASSI ( resid 64 and name HN )
( resid 63 and name HD21 )
6.0 0.1 0.1 peak 731 weight 1.1 volume 45.67530 ppm1 7.89000 ppm2 0.90500
ASSI ( resid 64 and name HN )
( resid 63 and name HD11 )
6.0 0.1 0.1 peak 732 weight 1.1 volume 30.70410 ppm1 7.89100 ppm2 0.84200
ASSI ( resid 19 and name HN )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 733 weight 1.1 volume 198.34340 ppm1 7.76600 ppm2 0.96000
OR ( resid 19 and name HN )
( resid 18 and name HG1 )
ASSI ( resid 20 and name HN )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 734 weight 1.1 volume 240.98590 ppm1 7.72100 ppm2 0.95500
ASSI ( resid 14 and name HN )
( resid 14 and name HG11 )
6.0 0.1 0.1 peak 735 weight 1.1 volume 268.20111 ppm1 7.65700 ppm2 0.96500
ASSI ( attr store1 < 7.731 and attr store1 > 7.691 )
( attr store1 < 0.926 and attr store1 > 0.846 )
6.0 0.1 0.1 peak 736 volume 142.25470 ppm1 7.71100 ppm2 0.88600
ASSI ( resid 22 and name HN )
( resid 63 and name HD11 )
6.0 0.1 0.1 peak 737 weight 1.1 volume 189.97459 ppm1 7.76300 ppm2 0.84600
ASSI ( resid 22 and name HN )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 738 weight 1.1 volume 264.60431 ppm1 7.76300 ppm2 0.89200
OR ( resid 22 and name HN )
( resid 63 and name HD21 )
ASSI ( resid 67 and name HN )
( resid 67 and name HG21 )
6.0 0.1 0.1 peak 739 weight 1.1 volume 337.62231 ppm1 8.03000 ppm2 0.91900
OR ( resid 67 and name HN )
( resid 67 and name HG11 )
ASSI ( resid 66 and name HN )
( resid 67 and name HG21 )
6.0 0.1 0.1 peak 740 weight 1.1 volume 35.55040 ppm1 8.12300 ppm2 0.91800
ASSI ( attr store1 < 8.095 and attr store1 > 8.055 )
( attr store1 < 0.957 and attr store1 > 0.877 )
6.0 0.1 0.1 peak 741 volume 43.26610 ppm1 8.07500 ppm2 0.91700
ASSI ( resid 44 and name HN )
( resid 45 and name HD21 )
6.0 0.1 0.1 peak 742 weight 1.1 volume 36.79170 ppm1 7.97800 ppm2 0.88500
ASSI ( attr store1 < 8.041 and attr store1 > 8.001 )
( attr store1 < 0.899 and attr store1 > 0.819 )
6.0 0.1 0.1 peak 743 volume 161.44141 ppm1 8.02100 ppm2 0.85900
ASSI ( attr store1 < 8.041 and attr store1 > 8.001 )
( attr store1 < 0.783 and attr store1 > 0.703 )
6.0 0.1 0.1 peak 744 volume 79.92670 ppm1 8.02100 ppm2 0.74300
ASSI ( resid 6 and name HN )
( resid 34 and name HG21 )
6.0 0.1 0.1 peak 745 weight 1.1 volume 40.50370 ppm1 8.02200 ppm2 0.69100
ASSI ( attr store1 < 8.101 and attr store1 > 8.061 )
( attr store1 < 0.753 and attr store1 > 0.673 )
6.0 0.1 0.1 peak 746 volume 32.83380 ppm1 8.08100 ppm2 0.71300
ASSI ( resid 22 and name HN )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 747 weight 1.1 volume 437.54309 ppm1 7.75000 ppm2 0.72300
OR ( resid 22 and name HN )
( resid 62 and name HD11 )
OR ( resid 22 and name HN )
( resid 62 and name HD21 )
OR ( resid 62 and name HN )
( resid 21 and name HG21 )
OR ( resid 62 and name HN )
( resid 62 and name HD11 )
OR ( resid 62 and name HN )
( resid 62 and name HD21 )
ASSI ( attr store1 < 7.698 and attr store1 > 7.658 )
( attr store1 < 0.764 and attr store1 > 0.684 )
6.0 0.1 0.1 peak 748 volume 43.53450 ppm1 7.67800 ppm2 0.72400
ASSI ( attr store1 < 7.739 and attr store1 > 7.699 )
( attr store1 < 0.762 and attr store1 > 0.682 )
6.0 0.1 0.1 peak 749 volume 64.15740 ppm1 7.71900 ppm2 0.72200
ASSI ( resid 62 and name HN )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 750 weight 1.1 volume 93.52820 ppm1 7.75200 ppm2 0.63400
ASSI ( resid 14 and name HN )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 751 weight 1.1 volume 110.84420 ppm1 7.65700 ppm2 0.51000
ASSI ( resid 20 and name HN )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 752 weight 1.1 volume 148.27470 ppm1 7.72200 ppm2 0.35300
ASSI ( resid 22 and name HN )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 753 weight 1.1 volume 148.86330 ppm1 7.76500 ppm2 0.35200
ASSI ( resid 61 and name HN )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 754 weight 1.1 volume 219.15089 ppm1 7.86400 ppm2 0.34500
ASSI ( resid 61 and name HN )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 755 weight 1.1 volume 156.31889 ppm1 7.86300 ppm2 0.28100
ASSI ( resid 6 and name HN )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 756 weight 1.1 volume 70.72650 ppm1 8.02400 ppm2 0.17200
ASSI ( attr store1 < 8.099 and attr store1 > 8.059 )
( attr store1 < 0.342 and attr store1 > 0.262 )
6.0 0.1 0.1 peak 757 volume 34.94070 ppm1 8.07900 ppm2 0.30200
ASSI ( resid 14 and name HN )
( resid 14 and name HG12 )
6.0 0.1 0.1 peak 758 weight 1.1 volume 128.07201 ppm1 7.65500 ppm2 0.11100
ASSI ( resid 14 and name HN )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 759 weight 1.1 volume 264.27850 ppm1 7.65600 ppm2 0.06300
ASSI ( resid 58 and name HN )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 760 weight 1.1 volume 15.40760 ppm1 8.07900 ppm2 -0.56100
ASSI ( resid 55 and name HD1 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 761 weight 1.1 volume 129.65331 ppm1 7.57100 ppm2 -0.56000
ASSI ( resid 57 and name HN )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 762 weight 1.1 volume 347.00211 ppm1 7.51900 ppm2 -0.56000
ASSI ( resid 55 and name HE3 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 763 weight 1.1 volume 75.95950 ppm1 7.35300 ppm2 -0.56000
ASSI ( resid 23 and name HE1 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 764 weight 1.1 volume 218.44991 ppm1 7.10300 ppm2 -0.38100
OR ( resid 23 and name HE2 )
( resid 37 and name HG21 )
ASSI ( resid 39 and name HD2 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 765 weight 1.1 volume 297.36169 ppm1 7.14200 ppm2 -0.38100
OR ( resid 39 and name HD1 )
( resid 37 and name HG21 )
ASSI ( resid 39 and name HD1 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 766 weight 1.1 volume 365.64200 ppm1 7.14000 ppm2 -0.56100
OR ( resid 39 and name HD2 )
( resid 56 and name HG11 )
ASSI ( resid 23 and name HZ )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 767 weight 1.1 volume 19.60990 ppm1 7.25100 ppm2 -0.37900
ASSI ( resid 55 and name HZ2 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 768 weight 1.1 volume 73.83040 ppm1 7.52900 ppm2 0.06500
ASSI ( resid 55 and name HD1 )
( resid 14 and name HG12 )
6.0 0.1 0.1 peak 769 weight 1.1 volume 71.72040 ppm1 7.57300 ppm2 0.11400
ASSI ( resid 55 and name HD1 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 770 weight 1.1 volume 132.38130 ppm1 7.57100 ppm2 0.06300
ASSI ( resid 55 and name HE3 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 771 weight 1.1 volume 134.98180 ppm1 7.35400 ppm2 0.06200
ASSI ( resid 16 and name HD2 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 772 weight 1.1 volume 34.99620 ppm1 7.21800 ppm2 0.06400
ASSI ( resid 34 and name HN )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 773 weight 1.1 volume 309.66220 ppm1 7.25600 ppm2 0.16900
ASSI ( resid 26 and name HE22 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 774 weight 1.1 volume 70.48230 ppm1 7.10100 ppm2 0.17000
ASSI ( resid 23 and name HZ )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 775 weight 1.1 volume 79.06970 ppm1 7.25200 ppm2 0.28100
ASSI ( resid 23 and name HZ )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 776 weight 1.1 volume 355.01669 ppm1 7.25700 ppm2 0.34600
ASSI ( resid 55 and name HE3 )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 777 weight 1.1 volume 26.83000 ppm1 7.35500 ppm2 0.31500
ASSI ( resid 55 and name HZ2 )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 778 weight 1.1 volume 388.89969 ppm1 7.51400 ppm2 0.30900
OR ( resid 57 and name HN )
( resid 56 and name HG21 )
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
( attr store1 < 0.391 and attr store1 > 0.311 )
6.0 0.1 0.1 peak 779 volume 30.02150 ppm1 7.30000 ppm2 0.35100
ASSI ( attr store1 < 7.24 and attr store1 > 7.2 )
( attr store1 < 0.385 and attr store1 > 0.305 )
6.0 0.1 0.1 peak 780 volume 23.94220 ppm1 7.22000 ppm2 0.34500
ASSI ( attr store1 < 7.369 and attr store1 > 7.329 )
( attr store1 < 0.39 and attr store1 > 0.31 )
6.0 0.1 0.1 peak 781 volume 51.46810 ppm1 7.34900 ppm2 0.35000
ASSI ( resid 55 and name HD1 )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 782 weight 1.1 volume 122.72970 ppm1 7.57100 ppm2 0.50800
ASSI ( resid 55 and name HZ2 )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 783 weight 1.1 volume 33.62650 ppm1 7.52300 ppm2 0.51200
ASSI ( resid 25 and name HE )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 784 weight 1.1 volume 56.83690 ppm1 7.43400 ppm2 0.53000
ASSI ( attr store1 < 7.366 and attr store1 > 7.326 )
( attr store1 < 0.556 and attr store1 > 0.476 )
6.0 0.1 0.1 peak 785 volume 31.66290 ppm1 7.34600 ppm2 0.51600
ASSI ( resid 23 and name HZ )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 786 weight 1.1 volume 64.51840 ppm1 7.25300 ppm2 0.52900
ASSI ( attr store1 < 7.162 and attr store1 > 7.122 )
( attr store1 < 0.561 and attr store1 > 0.481 )
6.0 0.1 0.1 peak 787 volume 174.42070 ppm1 7.14200 ppm2 0.52100
ASSI ( resid 23 and name HE1 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 788 weight 1.1 volume 257.39960 ppm1 7.10400 ppm2 0.53100
ASSI ( resid 59 and name HN )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 789 weight 1.1 volume 160.73680 ppm1 7.50700 ppm2 0.63500
ASSI ( resid 59 and name HN )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 790 weight 1.1 volume 260.47919 ppm1 7.50800 ppm2 0.70100
ASSI ( resid 55 and name HD1 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 791 weight 1.1 volume 19.04820 ppm1 7.57000 ppm2 0.70000
ASSI ( resid 25 and name HE )
( resid 27 and name HD11 )
6.0 0.1 0.1 peak 792 weight 1.1 volume 22.58410 ppm1 7.43600 ppm2 0.81200
ASSI ( resid 55 and name HE3 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 793 weight 1.1 volume 713.71442 ppm1 7.35200 ppm2 0.70000
ASSI ( resid 55 and name HE3 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 794 weight 1.1 volume 55.64030 ppm1 7.35200 ppm2 0.63200
ASSI ( resid 34 and name HN )
( resid 34 and name HG21 )
6.0 0.1 0.1 peak 795 weight 1.1 volume 331.88980 ppm1 7.25800 ppm2 0.68600
ASSI ( resid 16 and name HD2 )
( resid 15 and name HD11 )
6.0 0.1 0.1 peak 796 weight 1.1 volume 83.86390 ppm1 7.21600 ppm2 0.72000
ASSI ( attr store1 < 7.282 and attr store1 > 7.242 )
( attr store1 < 0.781 and attr store1 > 0.701 )
6.0 0.1 0.1 peak 797 volume 183.75760 ppm1 7.26200 ppm2 0.74100
ASSI ( attr store1 < 7.321 and attr store1 > 7.281 )
( attr store1 < 0.77 and attr store1 > 0.69 )
6.0 0.1 0.1 peak 798 volume 102.18880 ppm1 7.30100 ppm2 0.73000
ASSI ( resid 34 and name HN )
( resid 34 and name HG12 )
6.0 0.1 0.1 peak 799 weight 1.1 volume 886.66852 ppm1 7.26000 ppm2 0.86200
OR ( resid 34 and name HN )
( resid 34 and name HG11 )
ASSI ( attr store1 < 7.362 and attr store1 > 7.322 )
( attr store1 < 0.899 and attr store1 > 0.819 )
6.0 0.1 0.1 peak 800 volume 211.21060 ppm1 7.34200 ppm2 0.85900
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
( attr store1 < 0.891 and attr store1 > 0.811 )
6.0 0.1 0.1 peak 801 volume 164.48489 ppm1 7.30000 ppm2 0.85100
ASSI ( resid 55 and name HE3 )
( resid 59 and name HG11 )
6.0 0.1 0.1 peak 802 weight 1.1 volume 70.73640 ppm1 7.35000 ppm2 0.90900
ASSI ( resid 19 and name HE2 )
( resid 18 and name HG1 )
6.0 0.1 0.1 peak 803 weight 1.1 volume 82.16200 ppm1 7.33700 ppm2 0.96200
OR ( resid 19 and name HE2 )
( resid 20 and name HG12 )
OR ( resid 19 and name HE1 )
( resid 18 and name HG1 )
OR ( resid 19 and name HE1 )
( resid 20 and name HG12 )
ASSI ( resid 19 and name HD1 )
( resid 18 and name HG1 )
6.0 0.1 0.1 peak 804 weight 1.1 volume 76.73350 ppm1 7.30000 ppm2 0.97400
ASSI ( attr store1 < 7.16 and attr store1 > 7.12 )
( attr store1 < 0.672 and attr store1 > 0.592 )
6.0 0.1 0.1 peak 805 volume 266.46591 ppm1 7.14000 ppm2 0.63200
ASSI ( attr store1 < 7.119 and attr store1 > 7.079 )
( attr store1 < 0.672 and attr store1 > 0.592 )
6.0 0.1 0.1 peak 806 volume 230.24071 ppm1 7.09900 ppm2 0.63200
ASSI ( resid 13 and name HE )
( resid 15 and name HD11 )
6.0 0.1 0.1 peak 807 weight 1.1 volume 44.31920 ppm1 7.06300 ppm2 0.72600
ASSI ( attr store1 < 7.12 and attr store1 > 7.08 )
( attr store1 < 0.744 and attr store1 > 0.664 )
6.0 0.1 0.1 peak 808 volume 382.43179 ppm1 7.10000 ppm2 0.70400
ASSI ( resid 45 and name HN )
( resid 45 and name HD11 )
6.0 0.1 0.1 peak 809 weight 1.1 volume 130.76120 ppm1 7.16400 ppm2 0.84700
ASSI ( resid 58 and name HD2 )
( resid 59 and name HG11 )
6.0 0.1 0.1 peak 810 weight 1.1 volume 541.32239 ppm1 7.10400 ppm2 0.90300
OR ( resid 58 and name HD1 )
( resid 59 and name HG11 )
ASSI ( attr store1 < 7.123 and attr store1 > 7.083 )
( attr store1 < 0.887 and attr store1 > 0.807 )
6.0 0.1 0.1 peak 811 volume 375.63400 ppm1 7.10300 ppm2 0.84700
ASSI ( resid 39 and name HD1 )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 812 weight 1.1 volume 196.74229 ppm1 7.14200 ppm2 0.95300
ASSI ( attr store1 < 7.161 and attr store1 > 7.121 )
( attr store1 < 0.937 and attr store1 > 0.857 )
6.0 0.1 0.1 peak 813 volume 318.12341 ppm1 7.14100 ppm2 0.89700
ASSI ( resid 29 and name HD22 )
( resid 27 and name HD21 )
6.0 0.1 0.1 peak 814 weight 1.1 volume 49.76310 ppm1 7.53500 ppm2 0.86000
ASSI ( resid 59 and name HN )
( resid 59 and name HG11 )
6.0 0.1 0.1 peak 815 weight 1.1 volume 202.32179 ppm1 7.50800 ppm2 0.91200
ASSI ( resid 55 and name HD1 )
( resid 14 and name HG11 )
6.0 0.1 0.1 peak 816 weight 1.1 volume 48.02350 ppm1 7.57100 ppm2 0.96300
ASSI ( attr store1 < 7.121 and attr store1 > 7.081 )
( attr store1 < 1.087 and attr store1 > 1.007 )
6.0 0.1 0.1 peak 817 volume 64.00910 ppm1 7.10100 ppm2 1.04700
ASSI ( resid 34 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 818 weight 1.1 volume 74.42010 ppm1 7.25700 ppm2 1.09000
ASSI ( attr store1 < 7.274 and attr store1 > 7.234 )
( attr store1 < 1.217 and attr store1 > 1.137 )
6.0 0.1 0.1 peak 819 volume 42.13860 ppm1 7.25400 ppm2 1.17700
ASSI ( attr store1 < 7.318 and attr store1 > 7.278 )
( attr store1 < 1.204 and attr store1 > 1.124 )
6.0 0.1 0.1 peak 820 volume 71.23450 ppm1 7.29800 ppm2 1.16400
ASSI ( attr store1 < 7.358 and attr store1 > 7.318 )
( attr store1 < 1.209 and attr store1 > 1.129 )
6.0 0.1 0.1 peak 821 volume 94.43480 ppm1 7.33800 ppm2 1.16900
ASSI ( attr store1 < 7.368 and attr store1 > 7.328 )
( attr store1 < 1.284 and attr store1 > 1.204 )
6.0 0.1 0.1 peak 822 volume 55.41510 ppm1 7.34800 ppm2 1.24400
ASSI ( attr store1 < 7.162 and attr store1 > 7.122 )
( attr store1 < 1.202 and attr store1 > 1.122 )
6.0 0.1 0.1 peak 823 volume 290.76639 ppm1 7.14200 ppm2 1.16200
ASSI ( attr store1 < 7.113 and attr store1 > 7.073 )
( attr store1 < 1.277 and attr store1 > 1.197 )
6.0 0.1 0.1 peak 824 volume 128.76711 ppm1 7.09300 ppm2 1.23700
ASSI ( attr store1 < 7.176 and attr store1 > 7.136 )
( attr store1 < 1.343 and attr store1 > 1.263 )
6.0 0.1 0.1 peak 825 volume 87.04080 ppm1 7.15600 ppm2 1.30300
ASSI ( attr store1 < 7.16 and attr store1 > 7.12 )
( attr store1 < 1.087 and attr store1 > 1.007 )
6.0 0.1 0.1 peak 826 volume 502.43790 ppm1 7.14000 ppm2 1.04700
ASSI ( resid 35 and name HD22 )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 827 weight 1.1 volume 288.63681 ppm1 7.14400 ppm2 1.09000
ASSI ( attr store1 < 7.197 and attr store1 > 7.157 )
( attr store1 < 1.216 and attr store1 > 1.136 )
6.0 0.1 0.1 peak 828 volume 86.18420 ppm1 7.17700 ppm2 1.17600
ASSI ( resid 52 and name HN )
( resid 52 and name HG2 )
6.0 0.1 0.1 peak 829 weight 1.1 volume 293.06970 ppm1 7.48500 ppm2 1.24600
ASSI ( resid 55 and name HZ2 )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 830 weight 1.1 volume 85.81500 ppm1 7.52500 ppm2 1.16900
ASSI ( resid 57 and name HN )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 831 weight 1.1 volume 457.48679 ppm1 7.51900 ppm2 1.23600
ASSI ( resid 52 and name HN )
( resid 52 and name HG1 )
6.0 0.1 0.1 peak 832 weight 1.1 volume 278.17639 ppm1 7.48800 ppm2 1.35500
ASSI ( resid 55 and name HD1 )
( resid 54 and name HG21 )
6.0 0.1 0.1 peak 833 weight 1.1 volume 61.57250 ppm1 7.57000 ppm2 1.23700
ASSI ( resid 25 and name HE )
( resid 25 and name HG1 )
6.0 0.1 0.1 peak 834 weight 1.1 volume 148.02010 ppm1 7.43500 ppm2 1.43600
OR ( resid 25 and name HE )
( resid 25 and name HG2 )
ASSI ( resid 52 and name HN )
( resid 52 and name HB1 )
6.0 0.1 0.1 peak 835 weight 1.1 volume 548.81409 ppm1 7.48800 ppm2 1.47800
OR ( resid 52 and name HN )
( resid 52 and name HB2 )
ASSI ( resid 57 and name HN )
( resid 57 and name HG1 )
6.0 0.1 0.1 peak 836 weight 1.1 volume 261.68179 ppm1 7.51500 ppm2 1.46000
ASSI ( attr store1 < 7.549 and attr store1 > 7.509 )
( attr store1 < 1.563 and attr store1 > 1.483 )
6.0 0.1 0.1 peak 837 volume 610.68372 ppm1 7.52900 ppm2 1.52300
ASSI ( resid 52 and name HN )
( resid 52 and name HD2 )
6.0 0.1 0.1 peak 838 weight 1.1 volume 149.84940 ppm1 7.49300 ppm2 1.60800
ASSI ( resid 59 and name HN )
( resid 62 and name HB2 )
6.0 0.1 0.1 peak 839 weight 1.1 volume 223.42110 ppm1 7.51100 ppm2 1.58400
OR ( resid 59 and name HN )
( resid 13 and name HB2 )
OR ( resid 55 and name HZ2 )
( resid 62 and name HB2 )
OR ( resid 55 and name HZ2 )
( resid 13 and name HB2 )
ASSI ( resid 57 and name HN )
( resid 57 and name HB1 )
6.0 0.1 0.1 peak 840 weight 1.1 volume 801.86578 ppm1 7.51300 ppm2 1.71200
OR ( resid 57 and name HN )
( resid 57 and name HB2 )
ASSI ( resid 25 and name HE )
( resid 25 and name HB2 )
6.0 0.1 0.1 peak 841 weight 1.1 volume 353.49438 ppm1 7.43400 ppm2 1.69300
OR ( resid 25 and name HE )
( resid 25 and name HB1 )
ASSI ( resid 52 and name HN )
( resid 51 and name HB2 )
6.0 0.1 0.1 peak 842 weight 1.1 volume 223.00050 ppm1 7.48800 ppm2 1.78400
ASSI ( resid 57 and name HN )
( resid 56 and name HB )
6.0 0.1 0.1 peak 843 weight 1.1 volume 709.78149 ppm1 7.51200 ppm2 1.77300
ASSI ( resid 59 and name HN )
( resid 59 and name HB )
6.0 0.1 0.1 peak 844 weight 1.1 volume 581.27710 ppm1 7.51000 ppm2 1.83900
ASSI ( resid 55 and name HD1 )
( resid 53 and name HB2 )
6.0 0.1 0.1 peak 845 weight 1.1 volume 295.06671 ppm1 7.57200 ppm2 1.87900
ASSI ( resid 16 and name HD2 )
( resid 15 and name HB1 )
6.0 0.1 0.1 peak 846 weight 1.1 volume 26.78890 ppm1 7.21800 ppm2 1.26100
ASSI ( resid 16 and name HD2 )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 847 weight 1.1 volume 22.25070 ppm1 7.21600 ppm2 1.34000
ASSI ( resid 53 and name HN )
( resid 52 and name HG1 )
6.0 0.1 0.1 peak 848 weight 1.1 volume 157.99660 ppm1 7.15000 ppm2 1.35600
ASSI ( resid 39 and name HD2 )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 849 weight 1.1 volume 535.74933 ppm1 7.14100 ppm2 1.23900
ASSI ( resid 26 and name HE22 )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 850 weight 1.1 volume 98.56110 ppm1 7.10000 ppm2 1.35500
ASSI ( attr store1 < 7.057 and attr store1 > 7.017 )
( attr store1 < 1.392 and attr store1 > 1.312 )
6.0 0.1 0.1 peak 851 volume 16.79860 ppm1 7.03700 ppm2 1.35200
ASSI ( attr store1 < 7.371 and attr store1 > 7.331 )
( attr store1 < 1.385 and attr store1 > 1.305 )
6.0 0.1 0.1 peak 852 volume 80.34160 ppm1 7.35100 ppm2 1.34500
ASSI ( attr store1 < 7.279 and attr store1 > 7.239 )
( attr store1 < 1.397 and attr store1 > 1.317 )
6.0 0.1 0.1 peak 853 volume 65.29500 ppm1 7.25900 ppm2 1.35700
ASSI ( attr store1 < 7.355 and attr store1 > 7.315 )
( attr store1 < 1.464 and attr store1 > 1.384 )
6.0 0.1 0.1 peak 854 volume 106.01280 ppm1 7.33500 ppm2 1.42400
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
( attr store1 < 1.465 and attr store1 > 1.385 )
6.0 0.1 0.1 peak 855 volume 115.34200 ppm1 7.30000 ppm2 1.42500
ASSI ( resid 23 and name HZ )
( resid 25 and name HG2 )
6.0 0.1 0.1 peak 856 weight 1.1 volume 111.63810 ppm1 7.25600 ppm2 1.43100
OR ( resid 23 and name HZ )
( resid 25 and name HG1 )
ASSI ( attr store1 < 7.354 and attr store1 > 7.314 )
( attr store1 < 1.54 and attr store1 > 1.46 )
6.0 0.1 0.1 peak 857 volume 63.84620 ppm1 7.33400 ppm2 1.50000
ASSI ( attr store1 < 7.368 and attr store1 > 7.328 )
( attr store1 < 1.607 and attr store1 > 1.527 )
6.0 0.1 0.1 peak 858 volume 46.97690 ppm1 7.34800 ppm2 1.56700
ASSI ( attr store1 < 7.321 and attr store1 > 7.281 )
( attr store1 < 1.537 and attr store1 > 1.457 )
6.0 0.1 0.1 peak 859 volume 82.06150 ppm1 7.30100 ppm2 1.49700
ASSI ( resid 61 and name HE )
( resid 61 and name HG2 )
6.0 0.1 0.1 peak 860 weight 1.1 volume 115.04590 ppm1 7.21400 ppm2 1.47700
ASSI ( resid 9 and name HN )
( resid 8 and name HG )
6.0 0.1 0.1 peak 861 weight 1.1 volume 186.71660 ppm1 7.26300 ppm2 1.50800
ASSI ( resid 9 and name HN )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 862 weight 1.1 volume 336.92120 ppm1 7.26300 ppm2 1.57400
OR ( resid 9 and name HN )
( resid 8 and name HB1 )
ASSI ( resid 45 and name HN )
( resid 45 and name HG )
6.0 0.1 0.1 peak 863 weight 1.1 volume 425.37421 ppm1 7.15800 ppm2 1.47000
ASSI ( resid 23 and name HE2 )
( resid 25 and name HG2 )
6.0 0.1 0.1 peak 864 weight 1.1 volume 272.05151 ppm1 7.10400 ppm2 1.44000
OR ( resid 23 and name HE1 )
( resid 25 and name HG2 )
ASSI ( resid 13 and name HE )
( resid 13 and name HG1 )
6.0 0.1 0.1 peak 865 weight 1.1 volume 105.21140 ppm1 7.06100 ppm2 1.49000
OR ( resid 13 and name HE )
( resid 13 and name HG2 )
ASSI ( resid 45 and name HN )
( resid 45 and name HB1 )
6.0 0.1 0.1 peak 866 weight 1.1 volume 564.03778 ppm1 7.15800 ppm2 1.57300
OR ( resid 45 and name HN )
( resid 45 and name HB2 )
ASSI ( resid 13 and name HE )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 867 weight 1.1 volume 136.32040 ppm1 7.06500 ppm2 1.58400
OR ( resid 13 and name HE )
( resid 13 and name HB1 )
ASSI ( attr store1 < 7.122 and attr store1 > 7.082 )
( attr store1 < 1.619 and attr store1 > 1.539 )
6.0 0.1 0.1 peak 868 volume 132.00920 ppm1 7.10200 ppm2 1.57900
ASSI ( attr store1 < 7.322 and attr store1 > 7.282 )
( attr store1 < 1.686 and attr store1 > 1.606 )
6.0 0.1 0.1 peak 869 volume 27.89890 ppm1 7.30200 ppm2 1.64600
ASSI ( resid 23 and name HZ )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 870 weight 1.1 volume 150.73700 ppm1 7.25300 ppm2 1.69400
ASSI ( resid 61 and name HE )
( resid 61 and name HG1 )
6.0 0.1 0.1 peak 871 weight 1.1 volume 91.50230 ppm1 7.21700 ppm2 1.66300
ASSI ( resid 23 and name HE2 )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 872 weight 1.1 volume 560.40460 ppm1 7.10200 ppm2 1.69500
OR ( resid 23 and name HE2 )
( resid 25 and name HB2 )
OR ( resid 23 and name HE1 )
( resid 25 and name HB1 )
OR ( resid 23 and name HE1 )
( resid 25 and name HB2 )
ASSI ( attr store1 < 7.057 and attr store1 > 7.017 )
( attr store1 < 1.742 and attr store1 > 1.662 )
6.0 0.1 0.1 peak 873 volume 196.28030 ppm1 7.03700 ppm2 1.70200
ASSI ( attr store1 < 7.06 and attr store1 > 7.02 )
( attr store1 < 1.832 and attr store1 > 1.752 )
6.0 0.1 0.1 peak 874 volume 65.13420 ppm1 7.04000 ppm2 1.79200
ASSI ( resid 42 and name HZ1 )
( resid 42 and name HD1 )
6.0 0.1 0.1 peak 875 weight 1.1 volume 61.01050 ppm1 7.30200 ppm2 1.72800
OR ( resid 42 and name HZ1 )
( resid 42 and name HD2 )
ASSI ( attr store1 < 7.173 and attr store1 > 7.133 )
( attr store1 < 1.746 and attr store1 > 1.666 )
6.0 0.1 0.1 peak 876 volume 282.65491 ppm1 7.15300 ppm2 1.70600
ASSI ( attr store1 < 7.357 and attr store1 > 7.317 )
( attr store1 < 1.915 and attr store1 > 1.835 )
6.0 0.1 0.1 peak 877 volume 40.68260 ppm1 7.33700 ppm2 1.87500
ASSI ( attr store1 < 7.37 and attr store1 > 7.33 )
( attr store1 < 1.878 and attr store1 > 1.798 )
6.0 0.1 0.1 peak 878 volume 82.61210 ppm1 7.35000 ppm2 1.83800
ASSI ( resid 42 and name HZ1 )
( resid 42 and name HB2 )
6.0 0.1 0.1 peak 879 weight 1.1 volume 58.26740 ppm1 7.30100 ppm2 1.86700
ASSI ( resid 34 and name HN )
( resid 34 and name HB )
6.0 0.1 0.1 peak 880 weight 1.1 volume 260.80261 ppm1 7.25500 ppm2 1.90300
ASSI ( resid 42 and name HZ1 )
( resid 42 and name HB1 )
6.0 0.1 0.1 peak 881 weight 1.1 volume 36.25350 ppm1 7.29900 ppm2 1.97900
ASSI ( resid 4 and name HZ )
( resid 26 and name HB1 )
6.0 0.1 0.1 peak 882 weight 1.1 volume 28.30660 ppm1 7.25600 ppm2 2.04400
ASSI ( resid 61 and name HE )
( resid 61 and name HB2 )
6.0 0.1 0.1 peak 883 weight 1.1 volume 153.52859 ppm1 7.21200 ppm2 1.83000
OR ( resid 61 and name HE )
( resid 61 and name HB1 )
ASSI ( resid 53 and name HN )
( resid 53 and name HB2 )
6.0 0.1 0.1 peak 884 weight 1.1 volume 643.67188 ppm1 7.15500 ppm2 1.87800
ASSI ( resid 23 and name HE1 )
( resid 63 and name HB1 )
6.0 0.1 0.1 peak 885 weight 1.1 volume 262.63379 ppm1 7.10300 ppm2 1.94300
OR ( resid 23 and name HE2 )
( resid 63 and name HB1 )
ASSI ( resid 23 and name HE1 )
( resid 63 and name HG )
6.0 0.1 0.1 peak 886 weight 1.1 volume 448.32379 ppm1 7.10400 ppm2 1.84200
OR ( resid 23 and name HE2 )
( resid 63 and name HG )
ASSI ( resid 26 and name HE22 )
( resid 26 and name HB1 )
6.0 0.1 0.1 peak 887 weight 1.1 volume 82.04430 ppm1 7.10200 ppm2 2.04400
ASSI ( resid 45 and name HN )
( resid 44 and name HB2 )
6.0 0.1 0.1 peak 888 weight 1.1 volume 64.00070 ppm1 7.16000 ppm2 2.10100
ASSI ( resid 39 and name HD2 )
( resid 47 and name HB )
6.0 0.1 0.1 peak 889 weight 1.1 volume 233.52609 ppm1 7.14300 ppm2 2.03100
OR ( resid 39 and name HD1 )
( resid 47 and name HB )
ASSI ( resid 52 and name HN )
( resid 51 and name HB2 )
6.0 0.1 0.1 peak 890 weight 1.1 volume 48.13800 ppm1 7.49100 ppm2 2.08000
ASSI ( resid 55 and name HD1 )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 891 weight 1.1 volume 81.50690 ppm1 7.57100 ppm2 2.20200
ASSI ( resid 59 and name HN )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 892 weight 1.1 volume 613.15051 ppm1 7.51000 ppm2 2.21100
OR ( resid 59 and name HN )
( resid 53 and name HG2 )
OR ( resid 57 and name HN )
( resid 59 and name HG12 )
OR ( resid 57 and name HN )
( resid 53 and name HG2 )
ASSI ( resid 55 and name HE3 )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 893 weight 1.1 volume 166.34070 ppm1 7.34600 ppm2 2.21600
ASSI ( attr store1 < 7.275 and attr store1 > 7.235 )
( attr store1 < 2.271 and attr store1 > 2.191 )
6.0 0.1 0.1 peak 894 volume 77.05920 ppm1 7.25500 ppm2 2.23100
ASSI ( resid 53 and name HN )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 895 weight 1.1 volume 351.51001 ppm1 7.15700 ppm2 2.20200
ASSI ( resid 26 and name HE22 )
( resid 26 and name HG2 )
6.0 0.1 0.1 peak 896 weight 1.1 volume 547.07678 ppm1 7.09900 ppm2 2.21400
OR ( resid 26 and name HE22 )
( resid 26 and name HG1 )
OR ( resid 26 and name HE22 )
( resid 59 and name HG12 )
OR ( resid 58 and name HD1 )
( resid 26 and name HG2 )
OR ( resid 58 and name HD1 )
( resid 26 and name HG1 )
OR ( resid 58 and name HD1 )
( resid 59 and name HG12 )
OR ( resid 58 and name HD2 )
( resid 26 and name HG2 )
OR ( resid 58 and name HD2 )
( resid 26 and name HG1 )
OR ( resid 58 and name HD2 )
( resid 59 and name HG12 )
ASSI ( resid 53 and name HE22 )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 897 weight 1.1 volume 50.46770 ppm1 7.03800 ppm2 2.20000
ASSI ( resid 53 and name HN )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 898 weight 1.1 volume 274.17929 ppm1 7.15700 ppm2 2.44600
ASSI ( resid 53 and name HE22 )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 899 weight 1.1 volume 22.57740 ppm1 7.03700 ppm2 2.44300
ASSI ( attr store1 < 7.37617 and attr store1 > 7.33617 )
( attr store1 < 2.42555 and attr store1 > 2.34555 )
6.0 0.1 0.1 peak 900 volume 23.65430 ppm1 7.35617 ppm2 2.38555
ASSI ( resid 55 and name HZ2 )
( resid 14 and name HA )
6.0 0.1 0.1 peak 901 weight 1.1 volume 114.37610 ppm1 7.52800 ppm2 2.38600
ASSI ( resid 55 and name HD1 )
( resid 14 and name HA )
6.0 0.1 0.1 peak 902 weight 1.1 volume 39.07830 ppm1 7.57100 ppm2 2.38600
ASSI ( resid 55 and name HD1 )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 903 weight 1.1 volume 87.89920 ppm1 7.57000 ppm2 2.44800
ASSI ( attr store1 < 7.541 and attr store1 > 7.501 )
( attr store1 < 2.49 and attr store1 > 2.41 )
6.0 0.1 0.1 peak 904 volume 243.15730 ppm1 7.52100 ppm2 2.45000
ASSI ( attr store1 < 7.526 and attr store1 > 7.486 )
( attr store1 < 2.76 and attr store1 > 2.68 )
6.0 0.1 0.1 peak 905 volume 271.87881 ppm1 7.50600 ppm2 2.72000
ASSI ( resid 34 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 906 weight 1.1 volume 122.07470 ppm1 7.25658 ppm2 2.57279
ASSI ( resid 19 and name HE2 )
( resid 18 and name HE1 )
6.0 0.1 0.1 peak 907 weight 1.1 volume 116.12020 ppm1 7.33600 ppm2 2.72800
OR ( resid 19 and name HE2 )
( resid 3 and name HB1 )
OR ( resid 19 and name HE2 )
( resid 18 and name HE2 )
OR ( resid 19 and name HE1 )
( resid 18 and name HE1 )
OR ( resid 19 and name HE1 )
( resid 3 and name HB1 )
OR ( resid 19 and name HE1 )
( resid 18 and name HE2 )
OR ( resid 4 and name HE1 )
( resid 18 and name HE1 )
OR ( resid 4 and name HE1 )
( resid 3 and name HB1 )
OR ( resid 4 and name HE1 )
( resid 18 and name HE2 )
OR ( resid 4 and name HE2 )
( resid 18 and name HE1 )
OR ( resid 4 and name HE2 )
( resid 3 and name HB1 )
OR ( resid 4 and name HE2 )
( resid 18 and name HE2 )
ASSI ( attr store1 < 7.32082 and attr store1 > 7.28082 )
( attr store1 < 2.77166 and attr store1 > 2.69166 )
6.0 0.1 0.1 peak 908 volume 49.73860 ppm1 7.30082 ppm2 2.73166
ASSI ( attr store1 < 7.28 and attr store1 > 7.24 )
( attr store1 < 2.767 and attr store1 > 2.687 )
6.0 0.1 0.1 peak 909 volume 523.22040 ppm1 7.26000 ppm2 2.72700
ASSI ( resid 59 and name HN )
( resid 56 and name HA )
6.0 0.1 0.1 peak 910 weight 1.1 volume 253.70290 ppm1 7.50394 ppm2 2.88913
OR ( resid 59 and name HN )
( resid 60 and name HA )
OR ( resid 57 and name HN )
( resid 56 and name HA )
OR ( resid 57 and name HN )
( resid 60 and name HA )
ASSI ( resid 29 and name HD22 )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 911 weight 1.1 volume 215.47900 ppm1 7.53900 ppm2 2.90100
ASSI ( resid 55 and name HD1 )
( resid 56 and name HA )
6.0 0.1 0.1 peak 912 weight 1.1 volume 22.06670 ppm1 7.57000 ppm2 2.88500
ASSI ( resid 29 and name HD22 )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 913 weight 1.1 volume 190.86450 ppm1 7.53800 ppm2 3.02500
ASSI ( resid 39 and name HD1 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 914 weight 1.1 volume 298.36511 ppm1 7.13900 ppm2 2.63100
OR ( resid 39 and name HD2 )
( resid 23 and name HB2 )
ASSI ( resid 23 and name HE2 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 915 weight 1.1 volume 140.31670 ppm1 7.09670 ppm2 2.62574
OR ( resid 23 and name HE1 )
( resid 23 and name HB2 )
ASSI ( attr store1 < 7.202 and attr store1 > 7.162 )
( attr store1 < 2.757 and attr store1 > 2.677 )
6.0 0.1 0.1 peak 916 volume 181.32860 ppm1 7.18200 ppm2 2.71700
ASSI ( resid 35 and name HD22 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 917 weight 1.1 volume 423.35831 ppm1 7.14400 ppm2 2.73400
OR ( resid 35 and name HD22 )
( resid 35 and name HB1 )
OR ( resid 35 and name HD22 )
( resid 69 and name HB1 )
OR ( resid 69 and name HD22 )
( resid 35 and name HB2 )
OR ( resid 69 and name HD22 )
( resid 35 and name HB1 )
OR ( resid 69 and name HD22 )
( resid 69 and name HB1 )
ASSI ( resid 39 and name HD2 )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 918 weight 1.1 volume 557.31873 ppm1 7.14300 ppm2 2.78900
OR ( resid 39 and name HD2 )
( resid 69 and name HB2 )
OR ( resid 39 and name HD2 )
( resid 10 and name HB2 )
OR ( resid 39 and name HD1 )
( resid 39 and name HB2 )
OR ( resid 39 and name HD1 )
( resid 69 and name HB2 )
OR ( resid 39 and name HD1 )
( resid 10 and name HB2 )
OR ( resid 69 and name HD22 )
( resid 39 and name HB2 )
OR ( resid 69 and name HD22 )
( resid 69 and name HB2 )
OR ( resid 69 and name HD22 )
( resid 10 and name HB2 )
OR ( resid 10 and name HE1 )
( resid 39 and name HB2 )
OR ( resid 10 and name HE1 )
( resid 69 and name HB2 )
OR ( resid 10 and name HE1 )
( resid 10 and name HB2 )
OR ( resid 10 and name HE2 )
( resid 39 and name HB2 )
OR ( resid 10 and name HE2 )
( resid 69 and name HB2 )
OR ( resid 10 and name HE2 )
( resid 10 and name HB2 )
ASSI ( resid 26 and name HE22 )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 919 weight 1.1 volume 272.79410 ppm1 7.10200 ppm2 2.71300
OR ( resid 26 and name HE22 )
( resid 6 and name HB2 )
ASSI ( resid 53 and name HE22 )
( resid 50 and name HB2 )
6.0 0.1 0.1 peak 920 weight 1.1 volume 206.42641 ppm1 7.03700 ppm2 2.73700
ASSI ( resid 9 and name HN )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 921 weight 1.1 volume 234.29010 ppm1 7.26300 ppm2 2.85100
OR ( resid 4 and name HZ )
( resid 7 and name HB1 )
ASSI ( resid 55 and name HE3 )
( resid 56 and name HA )
6.0 0.1 0.1 peak 922 weight 1.1 volume 178.81390 ppm1 7.35200 ppm2 2.88300
ASSI ( resid 19 and name HE1 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 923 weight 1.1 volume 176.58150 ppm1 7.33600 ppm2 2.95200
OR ( resid 19 and name HE2 )
( resid 16 and name HB1 )
ASSI ( resid 23 and name HZ )
( resid 60 and name HA )
6.0 0.1 0.1 peak 924 weight 1.1 volume 166.33400 ppm1 7.25600 ppm2 2.92700
ASSI ( resid 16 and name HD2 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 925 weight 1.1 volume 266.40549 ppm1 7.21700 ppm2 2.94000
ASSI ( attr store1 < 7.203 and attr store1 > 7.163 )
( attr store1 < 2.916 and attr store1 > 2.836 )
6.0 0.1 0.1 peak 926 volume 25.30890 ppm1 7.18300 ppm2 2.87600
ASSI ( resid 39 and name HD2 )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 927 weight 1.1 volume 421.70370 ppm1 7.13900 ppm2 2.93600
OR ( resid 39 and name HD2 )
( resid 52 and name HE2 )
OR ( resid 39 and name HD2 )
( resid 16 and name HB1 )
OR ( resid 39 and name HD2 )
( resid 60 and name HA )
OR ( resid 39 and name HD2 )
( resid 52 and name HE1 )
OR ( resid 39 and name HD1 )
( resid 23 and name HB1 )
OR ( resid 39 and name HD1 )
( resid 52 and name HE2 )
OR ( resid 39 and name HD1 )
( resid 16 and name HB1 )
OR ( resid 39 and name HD1 )
( resid 60 and name HA )
OR ( resid 39 and name HD1 )
( resid 52 and name HE1 )
OR ( resid 35 and name HD22 )
( resid 23 and name HB1 )
OR ( resid 35 and name HD22 )
( resid 52 and name HE2 )
OR ( resid 35 and name HD22 )
( resid 16 and name HB1 )
OR ( resid 35 and name HD22 )
( resid 60 and name HA )
OR ( resid 35 and name HD22 )
( resid 52 and name HE1 )
OR ( resid 69 and name HD22 )
( resid 23 and name HB1 )
OR ( resid 69 and name HD22 )
( resid 52 and name HE2 )
OR ( resid 69 and name HD22 )
( resid 16 and name HB1 )
OR ( resid 69 and name HD22 )
( resid 60 and name HA )
OR ( resid 69 and name HD22 )
( resid 52 and name HE1 )
ASSI ( resid 23 and name HE2 )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 928 weight 1.1 volume 297.55081 ppm1 7.10200 ppm2 2.92600
OR ( resid 23 and name HE2 )
( resid 60 and name HA )
OR ( resid 23 and name HE1 )
( resid 23 and name HB1 )
OR ( resid 23 and name HE1 )
( resid 60 and name HA )
ASSI ( attr store1 < 7.152 and attr store1 > 7.112 )
( attr store1 < 2.926 and attr store1 > 2.846 )
6.0 0.1 0.1 peak 929 volume 336.56940 ppm1 7.13200 ppm2 2.88600
ASSI ( resid 4 and name HD1 )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 930 weight 1.1 volume 419.39929 ppm1 7.18200 ppm2 2.96400
OR ( resid 4 and name HD2 )
( resid 4 and name HB1 )
ASSI ( resid 39 and name HD2 )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 931 weight 1.1 volume 439.19089 ppm1 7.13900 ppm2 3.01600
OR ( resid 39 and name HD1 )
( resid 39 and name HB1 )
ASSI ( resid 4 and name HD1 )
( resid 4 and name HB2 )
6.0 0.1 0.1 peak 932 weight 1.1 volume 449.23389 ppm1 7.18200 ppm2 3.07700
OR ( resid 4 and name HD2 )
( resid 4 and name HB2 )
ASSI ( resid 61 and name HE )
( resid 61 and name HD1 )
6.0 0.1 0.1 peak 933 weight 1.1 volume 365.94739 ppm1 7.21800 ppm2 3.13400
OR ( resid 61 and name HE )
( resid 61 and name HD2 )
ASSI ( resid 19 and name HD1 )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 934 weight 1.1 volume 385.19781 ppm1 7.29400 ppm2 3.04400
OR ( resid 19 and name HD2 )
( resid 19 and name HB1 )
ASSI ( resid 19 and name HD1 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 935 weight 1.1 volume 196.03011 ppm1 7.29900 ppm2 2.93400
OR ( resid 19 and name HD2 )
( resid 16 and name HB1 )
ASSI ( resid 4 and name HE2 )
( resid 4 and name HB2 )
6.0 0.1 0.1 peak 936 weight 1.1 volume 204.37010 ppm1 7.33200 ppm2 3.05400
OR ( resid 4 and name HE2 )
( resid 19 and name HB1 )
OR ( resid 4 and name HE1 )
( resid 4 and name HB2 )
OR ( resid 4 and name HE1 )
( resid 19 and name HB1 )
OR ( resid 19 and name HE2 )
( resid 4 and name HB2 )
OR ( resid 19 and name HE2 )
( resid 19 and name HB1 )
OR ( resid 19 and name HE1 )
( resid 4 and name HB2 )
OR ( resid 19 and name HE1 )
( resid 19 and name HB1 )
ASSI ( resid 55 and name HE3 )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 937 weight 1.1 volume 332.52350 ppm1 7.35500 ppm2 3.16200
OR ( resid 55 and name HE3 )
( resid 58 and name HB1 )
OR ( resid 55 and name HE3 )
( resid 58 and name HB2 )
ASSI ( resid 58 and name HD2 )
( resid 58 and name HB2 )
6.0 0.1 0.1 peak 938 weight 1.1 volume 1326.07593 ppm1 7.10000 ppm2 3.16700
OR ( resid 58 and name HD2 )
( resid 58 and name HB1 )
OR ( resid 58 and name HD1 )
( resid 58 and name HB2 )
OR ( resid 58 and name HD1 )
( resid 58 and name HB1 )
ASSI ( resid 19 and name HE1 )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 939 weight 1.1 volume 91.68300 ppm1 7.33600 ppm2 3.25300
OR ( resid 19 and name HE2 )
( resid 16 and name HB2 )
ASSI ( resid 19 and name HD2 )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 940 weight 1.1 volume 163.62131 ppm1 7.29900 ppm2 3.25300
OR ( resid 19 and name HD1 )
( resid 16 and name HB2 )
ASSI ( resid 9 and name HN )
( resid 9 and name HA1 )
6.0 0.1 0.1 peak 941 weight 1.1 volume 398.04480 ppm1 7.25900 ppm2 3.24700
ASSI ( resid 16 and name HD2 )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 942 weight 1.1 volume 162.40581 ppm1 7.21700 ppm2 3.25300
ASSI ( resid 55 and name HD1 )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 943 weight 1.1 volume 421.14249 ppm1 7.57300 ppm2 3.15900
ASSI ( resid 59 and name HN )
( resid 58 and name HB1 )
6.0 0.1 0.1 peak 944 weight 1.1 volume 607.73242 ppm1 7.50900 ppm2 3.15900
OR ( resid 59 and name HN )
( resid 58 and name HB2 )
OR ( resid 57 and name HN )
( resid 58 and name HB1 )
OR ( resid 57 and name HN )
( resid 58 and name HB2 )
ASSI ( resid 25 and name HE )
( resid 25 and name HD1 )
6.0 0.1 0.1 peak 945 weight 1.1 volume 755.68402 ppm1 7.43400 ppm2 3.20800
OR ( resid 25 and name HE )
( resid 25 and name HD2 )
ASSI ( resid 34 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 946 weight 1.1 volume 136.94749 ppm1 7.25900 ppm2 3.39200
ASSI ( resid 58 and name HD1 )
( resid 59 and name HA )
6.0 0.1 0.1 peak 947 weight 1.1 volume 180.16319 ppm1 7.10000 ppm2 3.43900
OR ( resid 58 and name HD2 )
( resid 59 and name HA )
ASSI ( resid 50 and name HD21 )
( resid 48 and name HB1 )
6.0 0.1 0.1 peak 948 weight 1.1 volume 430.24509 ppm1 6.86800 ppm2 3.50600
OR ( resid 50 and name HD21 )
( resid 51 and name HD2 )
OR ( resid 10 and name HD2 )
( resid 48 and name HB1 )
OR ( resid 10 and name HD2 )
( resid 51 and name HD2 )
ASSI ( resid 40 and name HD2 )
( resid 46 and name HB2 )
6.0 0.1 0.1 peak 949 weight 1.1 volume 9.76990 ppm1 6.90300 ppm2 3.57200
ASSI ( attr store1 < 7.121 and attr store1 > 7.081 )
( attr store1 < 3.621 and attr store1 > 3.541 )
6.0 0.1 0.1 peak 950 volume 45.06620 ppm1 7.10100 ppm2 3.58100
ASSI ( attr store1 < 7.282 and attr store1 > 7.242 )
( attr store1 < 3.55 and attr store1 > 3.47 )
6.0 0.1 0.1 peak 951 volume 22.03200 ppm1 7.26200 ppm2 3.51000
ASSI ( resid 19 and name HD1 )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 952 weight 1.1 volume 402.66010 ppm1 7.29600 ppm2 3.58400
OR ( resid 19 and name HD2 )
( resid 19 and name HB2 )
ASSI ( resid 9 and name HN )
( resid 9 and name HA2 )
6.0 0.1 0.1 peak 953 weight 1.1 volume 345.39600 ppm1 7.26300 ppm2 3.62600
ASSI ( resid 55 and name HE3 )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 954 weight 1.1 volume 392.92160 ppm1 7.35000 ppm2 3.55800
ASSI ( resid 55 and name HE3 )
( resid 59 and name HA )
6.0 0.1 0.1 peak 955 weight 1.1 volume 24.45340 ppm1 7.35300 ppm2 3.44300
ASSI ( resid 59 and name HN )
( resid 59 and name HA )
6.0 0.1 0.1 peak 956 weight 1.1 volume 245.14360 ppm1 7.50700 ppm2 3.44300
ASSI ( resid 52 and name HN )
( resid 51 and name HD2 )
6.0 0.1 0.1 peak 957 weight 1.1 volume 111.83650 ppm1 7.48800 ppm2 3.50400
ASSI ( resid 57 and name HN )
( resid 57 and name HA )
6.0 0.1 0.1 peak 958 weight 1.1 volume 326.55679 ppm1 7.51600 ppm2 3.58800
ASSI ( resid 55 and name HD1 )
( resid 54 and name HB )
6.0 0.1 0.1 peak 959 weight 1.1 volume 41.42490 ppm1 7.57200 ppm2 3.62500
ASSI ( resid 55 and name HD1 )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 960 weight 1.1 volume 276.62640 ppm1 7.57100 ppm2 3.56100
ASSI ( resid 52 and name HN )
( resid 51 and name HA )
6.0 0.1 0.1 peak 961 weight 1.1 volume 141.14920 ppm1 7.49000 ppm2 3.83700
ASSI ( resid 52 and name HN )
( resid 52 and name HA )
6.0 0.1 0.1 peak 962 weight 1.1 volume 335.55231 ppm1 7.48900 ppm2 3.95600
ASSI ( resid 34 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 963 weight 1.1 volume 105.51430 ppm1 7.25700 ppm2 3.85400
ASSI ( resid 16 and name HD2 )
( resid 17 and name HD2 )
6.0 0.1 0.1 peak 964 weight 1.1 volume 87.10400 ppm1 7.21700 ppm2 3.85300
OR ( resid 16 and name HD2 )
( resid 17 and name HD1 )
ASSI ( resid 53 and name HN )
( resid 51 and name HA )
6.0 0.1 0.1 peak 965 weight 1.1 volume 54.95250 ppm1 7.15000 ppm2 3.83800
ASSI ( attr store1 < 7.121 and attr store1 > 7.081 )
( attr store1 < 3.904 and attr store1 > 3.824 )
6.0 0.1 0.1 peak 966 volume 42.41370 ppm1 7.10100 ppm2 3.86400
ASSI ( resid 23 and name HZ )
( resid 64 and name HB2 )
6.0 0.1 0.1 peak 967 weight 1.1 volume 63.93050 ppm1 7.25300 ppm2 4.02200
OR ( resid 23 and name HZ )
( resid 64 and name HB1 )
ASSI ( attr store1 < 7.509 and attr store1 > 7.469 )
( attr store1 < 4.075 and attr store1 > 3.995 )
6.0 0.1 0.1 peak 968 volume 40.19680 ppm1 7.48900 ppm2 4.03500
ASSI ( resid 59 and name HN )
( resid 58 and name HA )
6.0 0.1 0.1 peak 969 weight 1.1 volume 148.11020 ppm1 7.50900 ppm2 4.14700
ASSI ( resid 61 and name HE )
( resid 58 and name HA )
6.0 0.1 0.1 peak 970 weight 1.1 volume 25.07670 ppm1 7.21600 ppm2 4.14200
ASSI ( resid 42 and name HZ1 )
( resid 42 and name HA )
6.0 0.1 0.1 peak 971 weight 1.1 volume 31.78930 ppm1 7.30200 ppm2 4.07800
OR ( resid 42 and name HZ1 )
( resid 18 and name HA )
OR ( resid 19 and name HD1 )
( resid 42 and name HA )
OR ( resid 19 and name HD1 )
( resid 18 and name HA )
ASSI ( resid 45 and name HN )
( resid 44 and name HA )
6.0 0.1 0.1 peak 972 weight 1.1 volume 519.06561 ppm1 7.15900 ppm2 3.95700
OR ( resid 45 and name HN )
( resid 52 and name HA )
OR ( resid 53 and name HN )
( resid 44 and name HA )
OR ( resid 53 and name HN )
( resid 52 and name HA )
ASSI ( resid 23 and name HE2 )
( resid 64 and name HB2 )
6.0 0.1 0.1 peak 973 weight 1.1 volume 107.70080 ppm1 7.10500 ppm2 4.01600
OR ( resid 23 and name HE2 )
( resid 64 and name HB1 )
OR ( resid 23 and name HE1 )
( resid 64 and name HB2 )
OR ( resid 23 and name HE1 )
( resid 64 and name HB1 )
ASSI ( resid 58 and name HD1 )
( resid 58 and name HA )
6.0 0.1 0.1 peak 974 weight 1.1 volume 505.47659 ppm1 7.09900 ppm2 4.14000
OR ( resid 58 and name HD2 )
( resid 58 and name HA )
ASSI ( resid 57 and name HN )
( resid 53 and name HA )
6.0 0.1 0.1 peak 975 weight 1.1 volume 86.49000 ppm1 7.51900 ppm2 4.24300
ASSI ( resid 55 and name HD1 )
( resid 54 and name HA )
6.0 0.1 0.1 peak 976 weight 1.1 volume 100.29830 ppm1 7.57200 ppm2 4.23900
ASSI ( resid 55 and name HD1 )
( resid 54 and name HA )
6.0 0.1 0.1 peak 977 weight 1.1 volume 56.05500 ppm1 7.57100 ppm2 4.28900
ASSI ( resid 55 and name HE3 )
( resid 15 and name HA )
6.0 0.1 0.1 peak 978 weight 1.1 volume 49.81930 ppm1 7.34400 ppm2 4.25900
ASSI ( attr store1 < 7.323 and attr store1 > 7.283 )
( attr store1 < 4.298 and attr store1 > 4.218 )
6.0 0.1 0.1 peak 979 volume 50.01340 ppm1 7.30300 ppm2 4.25800
ASSI ( resid 9 and name HN )
( resid 8 and name HA )
6.0 0.1 0.1 peak 980 weight 1.1 volume 250.21780 ppm1 7.26300 ppm2 4.28600
ASSI ( resid 16 and name HD2 )
( resid 15 and name HA )
6.0 0.1 0.1 peak 981 weight 1.1 volume 97.15860 ppm1 7.21700 ppm2 4.25900
OR ( resid 16 and name HD2 )
( resid 70 and name HA )
ASSI ( resid 53 and name HN )
( resid 53 and name HA )
6.0 0.1 0.1 peak 982 weight 1.1 volume 292.71939 ppm1 7.15600 ppm2 4.24200
ASSI ( resid 23 and name HE1 )
( resid 63 and name HA )
6.0 0.1 0.1 peak 983 weight 1.1 volume 128.26019 ppm1 7.09900 ppm2 4.27300
OR ( resid 23 and name HE2 )
( resid 63 and name HA )
ASSI ( resid 4 and name HZ )
( resid 6 and name HA )
6.0 0.1 0.1 peak 984 weight 1.1 volume 45.67770 ppm1 7.25900 ppm2 4.40600
ASSI ( attr store1 < 7.165 and attr store1 > 7.125 )
( attr store1 < 4.401 and attr store1 > 4.321 )
6.0 0.1 0.1 peak 985 volume 50.78640 ppm1 7.14500 ppm2 4.36100
ASSI ( resid 23 and name HE2 )
( resid 24 and name HA )
6.0 0.1 0.1 peak 986 weight 1.1 volume 117.75800 ppm1 7.10200 ppm2 4.35700
OR ( resid 23 and name HE1 )
( resid 24 and name HA )
ASSI ( resid 26 and name HE22 )
( resid 6 and name HA )
6.0 0.1 0.1 peak 987 weight 1.1 volume 112.76420 ppm1 7.10200 ppm2 4.40300
ASSI ( resid 58 and name HD1 )
( resid 55 and name HA )
6.0 0.1 0.1 peak 988 weight 1.1 volume 136.99780 ppm1 7.10100 ppm2 4.46200
OR ( resid 58 and name HD2 )
( resid 55 and name HA )
ASSI ( attr store1 < 7.203 and attr store1 > 7.163 )
( attr store1 < 4.448 and attr store1 > 4.368 )
6.0 0.1 0.1 peak 989 volume 77.20300 ppm1 7.18300 ppm2 4.40800
ASSI ( resid 55 and name HD1 )
( resid 55 and name HA )
6.0 0.1 0.1 peak 990 weight 1.1 volume 147.57310 ppm1 7.57100 ppm2 4.46200
ASSI ( resid 59 and name HN )
( resid 55 and name HA )
6.0 0.1 0.1 peak 991 weight 1.1 volume 102.31670 ppm1 7.51300 ppm2 4.46200
OR ( resid 57 and name HN )
( resid 55 and name HA )
ASSI ( resid 29 and name HD22 )
( resid 29 and name HA )
6.0 0.1 0.1 peak 992 weight 1.1 volume 40.04770 ppm1 7.53800 ppm2 4.55500
ASSI ( resid 55 and name HE3 )
( resid 55 and name HA )
6.0 0.1 0.1 peak 993 weight 1.1 volume 177.28090 ppm1 7.35300 ppm2 4.46300
ASSI ( attr store1 < 7.358 and attr store1 > 7.318 )
( attr store1 < 4.547 and attr store1 > 4.467 )
6.0 0.1 0.1 peak 994 volume 47.18400 ppm1 7.33800 ppm2 4.50700
ASSI ( resid 4 and name HE2 )
( resid 6 and name HA )
6.0 0.1 0.1 peak 995 weight 1.1 volume 46.01880 ppm1 7.33800 ppm2 4.40400
OR ( resid 4 and name HE1 )
( resid 6 and name HA )
ASSI ( resid 4 and name HD1 )
( resid 4 and name HA )
6.0 0.1 0.1 peak 996 weight 1.1 volume 243.35229 ppm1 7.18200 ppm2 4.51000
OR ( resid 4 and name HD2 )
( resid 4 and name HA )
ASSI ( resid 4 and name HE1 )
( resid 26 and name HA )
6.0 0.1 0.1 peak 997 weight 1.1 volume 60.52320 ppm1 7.33400 ppm2 4.63100
OR ( resid 4 and name HE2 )
( resid 26 and name HA )
ASSI ( resid 9 and name HN )
( resid 7 and name HA )
6.0 0.1 0.1 peak 998 weight 1.1 volume 347.10910 ppm1 7.26100 ppm2 4.56300
ASSI ( resid 34 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 999 weight 1.1 volume 338.39151 ppm1 7.25600 ppm2 4.63200
ASSI ( resid 34 and name HN )
( resid 34 and name HA )
6.0 0.1 0.1 peak 1000 weight 1.1 volume 316.91809 ppm1 7.25400 ppm2 4.69500
ASSI ( resid 19 and name HD1 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 1001 weight 1.1 volume 479.73141 ppm1 7.29700 ppm2 4.71700
OR ( resid 19 and name HD2 )
( resid 19 and name HA )
ASSI ( resid 19 and name HE2 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 1002 weight 1.1 volume 191.94119 ppm1 7.33400 ppm2 4.71700
OR ( resid 19 and name HE1 )
( resid 19 and name HA )
ASSI ( resid 39 and name HD1 )
( resid 38 and name HA )
6.0 0.1 0.1 peak 1003 weight 1.1 volume 77.81050 ppm1 7.14200 ppm2 4.68800
OR ( resid 39 and name HD1 )
( resid 34 and name HA )
OR ( resid 35 and name HD22 )
( resid 38 and name HA )
OR ( resid 35 and name HD22 )
( resid 34 and name HA )
ASSI ( resid 23 and name HE2 )
( resid 64 and name HA )
6.0 0.1 0.1 peak 1004 weight 1.1 volume 189.77470 ppm1 7.10500 ppm2 4.56100
OR ( resid 23 and name HE2 )
( resid 7 and name HA )
OR ( resid 26 and name HE22 )
( resid 64 and name HA )
OR ( resid 26 and name HE22 )
( resid 7 and name HA )
ASSI ( resid 23 and name HE2 )
( resid 25 and name HA )
6.0 0.1 0.1 peak 1005 weight 1.1 volume 74.41750 ppm1 7.10500 ppm2 4.66100
ASSI ( resid 45 and name HN )
( resid 45 and name HA )
6.0 0.1 0.1 peak 1006 weight 1.1 volume 475.13370 ppm1 7.16400 ppm2 4.64000
ASSI ( attr store1 < 7.319 and attr store1 > 7.279 )
( attr store1 < 4.925 and attr store1 > 4.845 )
6.0 0.1 0.1 peak 1007 volume 24.93970 ppm1 7.29900 ppm2 4.88500
ASSI ( resid 16 and name HD2 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 1008 weight 1.1 volume 83.44000 ppm1 7.21500 ppm2 4.89400
ASSI ( resid 34 and name HN )
( resid 32 and name HA )
6.0 0.1 0.1 peak 1009 weight 1.1 volume 124.51050 ppm1 7.25700 ppm2 4.98200
ASSI ( resid 35 and name HD21 )
( resid 35 and name HA )
6.0 0.1 0.1 peak 1010 weight 1.1 volume 62.19040 ppm1 7.60500 ppm2 5.19800
ASSI ( resid 39 and name HD1 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1011 weight 1.1 volume 749.36938 ppm1 7.13900 ppm2 5.09500
OR ( resid 39 and name HD2 )
( resid 39 and name HA )
ASSI ( resid 35 and name HD22 )
( resid 35 and name HA )
6.0 0.1 0.1 peak 1012 weight 1.1 volume 27.09520 ppm1 7.14100 ppm2 5.19700
ASSI ( resid 55 and name HZ2 )
( resid 12 and name HA )
6.0 0.1 0.1 peak 1013 weight 1.1 volume 80.14580 ppm1 7.52700 ppm2 4.90900
ASSI ( resid 55 and name HZ2 )
( resid 49 and name HA )
6.0 0.1 0.1 peak 1014 weight 1.1 volume 50.21930 ppm1 7.52700 ppm2 5.05300
ASSI ( resid 55 and name HZ2 )
( resid 15 and name HN )
6.0 0.1 0.1 peak 1015 weight 1.1 volume 30.98060 ppm1 7.52600 ppm2 5.51700
ASSI ( resid 55 and name HD1 )
( resid 56 and name HN )
6.0 0.1 0.1 peak 1016 weight 1.1 volume 111.53950 ppm1 7.57200 ppm2 5.78000
ASSI ( resid 57 and name HN )
( resid 56 and name HN )
6.0 0.1 0.1 peak 1017 weight 1.1 volume 339.56769 ppm1 7.51500 ppm2 5.77900
ASSI ( resid 55 and name HE3 )
( resid 56 and name HN )
6.0 0.1 0.1 peak 1018 weight 1.1 volume 39.03050 ppm1 7.35700 ppm2 5.77700
ASSI ( resid 53 and name HN )
( resid 56 and name HN )
6.0 0.1 0.1 peak 1019 weight 1.1 volume 83.11210 ppm1 7.15500 ppm2 5.77800
ASSI ( resid 39 and name HD2 )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1020 weight 1.1 volume 217.64149 ppm1 7.14000 ppm2 5.91200
OR ( resid 39 and name HD1 )
( resid 23 and name HA )
ASSI ( resid 23 and name HE1 )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1021 weight 1.1 volume 43.57210 ppm1 7.10100 ppm2 5.91100
OR ( resid 23 and name HE2 )
( resid 23 and name HA )
ASSI ( resid 55 and name HZ2 )
( resid 55 and name HZ3 )
6.0 0.1 0.1 peak 1022 weight 1.1 volume 146.47910 ppm1 7.52900 ppm2 6.51700
ASSI ( resid 55 and name HE3 )
( resid 55 and name HZ3 )
6.0 0.1 0.1 peak 1023 weight 1.1 volume 653.59137 ppm1 7.35400 ppm2 6.51800
ASSI ( resid 39 and name HD1 )
( resid 55 and name HZ3 )
6.0 0.1 0.1 peak 1024 weight 1.1 volume 108.94830 ppm1 7.13400 ppm2 6.51900
OR ( resid 39 and name HD2 )
( resid 55 and name HZ3 )
ASSI ( resid 55 and name HE3 )
( resid 39 and name HE2 )
6.0 0.1 0.1 peak 1025 weight 1.1 volume 54.94770 ppm1 7.35500 ppm2 6.74700
OR ( resid 55 and name HE3 )
( resid 39 and name HE1 )
ASSI ( resid 55 and name HE3 )
( resid 55 and name HH2 )
6.0 0.1 0.1 peak 1026 weight 1.1 volume 116.60950 ppm1 7.35500 ppm2 6.87600
ASSI ( resid 39 and name HD1 )
( resid 39 and name HE1 )
6.0 0.1 0.1 peak 1027 weight 1.1 volume 1715.82898 ppm1 7.14200 ppm2 6.74900
OR ( resid 39 and name HD1 )
( resid 39 and name HE2 )
OR ( resid 39 and name HD2 )
( resid 39 and name HE1 )
OR ( resid 39 and name HD2 )
( resid 39 and name HE2 )
ASSI ( resid 26 and name HE22 )
( resid 26 and name HE21 )
6.0 0.1 0.1 peak 1028 weight 1.1 volume 2066.34912 ppm1 7.10000 ppm2 6.84800
OR ( resid 26 and name HE22 )
( resid 23 and name HD1 )
OR ( resid 26 and name HE22 )
( resid 23 and name HD2 )
OR ( resid 23 and name HE1 )
( resid 26 and name HE21 )
OR ( resid 23 and name HE1 )
( resid 23 and name HD1 )
OR ( resid 23 and name HE1 )
( resid 23 and name HD2 )
OR ( resid 23 and name HE2 )
( resid 26 and name HE21 )
OR ( resid 23 and name HE2 )
( resid 23 and name HD1 )
OR ( resid 23 and name HE2 )
( resid 23 and name HD2 )
ASSI ( resid 58 and name HD1 )
( resid 58 and name HE1 )
6.0 0.1 0.1 peak 1029 weight 1.1 volume 2377.74316 ppm1 7.09300 ppm2 6.74300
OR ( resid 58 and name HD1 )
( resid 58 and name HE2 )
OR ( resid 58 and name HD2 )
( resid 58 and name HE1 )
OR ( resid 58 and name HD2 )
( resid 58 and name HE2 )
ASSI ( resid 23 and name HZ )
( resid 23 and name HD1 )
6.0 0.1 0.1 peak 1030 weight 1.1 volume 424.68921 ppm1 7.25300 ppm2 6.85000
OR ( resid 23 and name HZ )
( resid 23 and name HD2 )
ASSI ( attr store1 < 7.23 and attr store1 > 7.19 )
( attr store1 < 6.937 and attr store1 > 6.857 )
6.0 0.1 0.1 peak 1031 volume 31.90310 ppm1 7.21000 ppm2 6.89700
ASSI ( attr store1 < 7.552 and attr store1 > 7.512 )
( attr store1 < 6.917 and attr store1 > 6.837 )
6.0 0.1 0.1 peak 1032 volume 590.53680 ppm1 7.53200 ppm2 6.87700
ASSI ( resid 29 and name HD22 )
( resid 29 and name HD21 )
6.0 0.1 0.1 peak 1033 weight 1.1 volume 2096.73218 ppm1 7.53800 ppm2 6.78900
ASSI ( resid 55 and name HZ2 )
( resid 55 and name HH2 )
6.0 0.1 0.1 peak 1034 weight 1.1 volume 208.05701 ppm1 7.52700 ppm2 6.74300
ASSI ( resid 25 and name HE )
( resid 23 and name HE1 )
6.0 0.1 0.1 peak 1035 weight 1.1 volume 138.45230 ppm1 7.43400 ppm2 7.10400
OR ( resid 25 and name HE )
( resid 23 and name HE2 )
ASSI ( attr store1 < 7.539 and attr store1 > 7.499 )
( attr store1 < 7.083 and attr store1 > 7.003 )
6.0 0.1 0.1 peak 1036 volume 48.31620 ppm1 7.51900 ppm2 7.04300
ASSI ( resid 52 and name HN )
( resid 53 and name HE22 )
6.0 0.1 0.1 peak 1037 weight 1.1 volume 27.35480 ppm1 7.48200 ppm2 7.03200
ASSI ( resid 59 and name HN )
( resid 58 and name HD2 )
6.0 0.1 0.1 peak 1038 weight 1.1 volume 396.82281 ppm1 7.51200 ppm2 7.10800
OR ( resid 59 and name HN )
( resid 58 and name HD1 )
ASSI ( resid 52 and name HN )
( resid 53 and name HN )
6.0 0.1 0.1 peak 1039 weight 1.1 volume 547.02478 ppm1 7.48600 ppm2 7.15600
ASSI ( attr store1 < 7.54 and attr store1 > 7.5 )
( attr store1 < 7.204 and attr store1 > 7.124 )
6.0 0.1 0.1 peak 1040 volume 1708.21851 ppm1 7.52000 ppm2 7.16400
ASSI ( attr store1 < 7.594 and attr store1 > 7.554 )
( attr store1 < 7.195 and attr store1 > 7.115 )
6.0 0.1 0.1 peak 1041 volume 291.32129 ppm1 7.57400 ppm2 7.15500
ASSI ( resid 35 and name HD21 )
( resid 35 and name HD22 )
6.0 0.1 0.1 peak 1042 weight 1.1 volume 1417.68518 ppm1 7.60600 ppm2 7.14400
ASSI ( resid 53 and name HE22 )
( resid 50 and name HD21 )
6.0 0.1 0.1 peak 1043 weight 1.1 volume 338.97729 ppm1 7.03800 ppm2 6.86500
ASSI ( attr store1 < 7.119 and attr store1 > 7.079 )
( attr store1 < 7.03 and attr store1 > 6.95 )
6.0 0.1 0.1 peak 1044 volume 74.56710 ppm1 7.09900 ppm2 6.99000
ASSI ( resid 4 and name HE2 )
( resid 4 and name HD2 )
6.0 0.1 0.1 peak 1045 weight 1.1 volume 2229.33936 ppm1 7.33500 ppm2 7.18100
OR ( resid 4 and name HE2 )
( resid 4 and name HD1 )
OR ( resid 4 and name HE1 )
( resid 4 and name HD2 )
OR ( resid 4 and name HE1 )
( resid 4 and name HD1 )
ASSI ( resid 23 and name HZ )
( resid 23 and name HE1 )
6.0 0.1 0.1 peak 1046 weight 1.1 volume 2298.12158 ppm1 7.25300 ppm2 7.10500
OR ( resid 23 and name HZ )
( resid 23 and name HE2 )
ASSI ( attr store1 < 7.169 and attr store1 > 7.129 )
( attr store1 < 7.081 and attr store1 > 7.001 )
6.0 0.1 0.1 peak 1047 volume 45.02300 ppm1 7.14900 ppm2 7.04100
ASSI ( resid 4 and name HZ )
( resid 4 and name HD2 )
6.0 0.1 0.1 peak 1048 weight 1.1 volume 902.93488 ppm1 7.25000 ppm2 7.18100
OR ( resid 4 and name HZ )
( resid 4 and name HD1 )
ASSI ( resid 23 and name HE2 )
( resid 23 and name HZ )
6.0 0.1 0.1 peak 1049 weight 1.1 volume 2562.42480 ppm1 7.10600 ppm2 7.25700
OR ( resid 23 and name HE1 )
( resid 23 and name HZ )
ASSI ( resid 4 and name HE1 )
( resid 4 and name HZ )
6.0 0.1 0.1 peak 1050 weight 1.1 volume 5255.25391 ppm1 7.33500 ppm2 7.25900
OR ( resid 4 and name HE2 )
( resid 4 and name HZ )
ASSI ( resid 4 and name HD1 )
( resid 4 and name HE1 )
6.0 0.1 0.1 peak 1051 weight 1.1 volume 2289.21094 ppm1 7.18700 ppm2 7.34300
OR ( resid 4 and name HD1 )
( resid 4 and name HE2 )
OR ( resid 4 and name HD2 )
( resid 4 and name HE1 )
OR ( resid 4 and name HD2 )
( resid 4 and name HE2 )
ASSI ( resid 4 and name HZ )
( resid 4 and name HE1 )
6.0 0.1 0.1 peak 1052 weight 1.1 volume 4773.64404 ppm1 7.26100 ppm2 7.34000
OR ( resid 4 and name HZ )
( resid 4 and name HE2 )
ASSI ( resid 55 and name HD1 )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 1053 weight 1.1 volume 37.09920 ppm1 7.57100 ppm2 7.34800
ASSI ( resid 55 and name HZ2 )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 1054 weight 1.1 volume 91.49220 ppm1 7.52400 ppm2 7.34800
ASSI ( resid 53 and name HE21 )
( resid 57 and name HN )
6.0 0.1 0.1 peak 1055 weight 1.1 volume 89.96510 ppm1 7.70800 ppm2 7.51700
ASSI ( resid 62 and name HN )
( resid 59 and name HN )
6.0 0.1 0.1 peak 1056 weight 1.1 volume 40.86460 ppm1 7.74500 ppm2 7.51300
ASSI ( resid 61 and name HN )
( resid 62 and name HN )
6.0 0.1 0.1 peak 1057 weight 1.1 volume 502.32401 ppm1 7.86400 ppm2 7.75200
ASSI ( resid 66 and name HN )
( resid 67 and name HN )
6.0 0.1 0.1 peak 1058 weight 1.1 volume 275.09570 ppm1 8.12100 ppm2 8.02700
ASSI ( resid 60 and name HN )
( resid 58 and name HN )
6.0 0.1 0.1 peak 1059 weight 1.1 volume 57.14490 ppm1 8.26800 ppm2 8.08500
ASSI ( resid 5 and name HN )
( resid 4 and name HN )
6.0 0.1 0.1 peak 1060 weight 1.1 volume 220.28720 ppm1 8.32200 ppm2 8.14400
ASSI ( resid 4 and name HN )
( resid 5 and name HN )
6.0 0.1 0.1 peak 1061 weight 1.1 volume 239.94971 ppm1 8.14600 ppm2 8.32100
ASSI ( resid 58 and name HN )
( resid 60 and name HN )
6.0 0.1 0.1 peak 1062 weight 1.1 volume 108.63310 ppm1 8.08100 ppm2 8.26700
ASSI ( resid 62 and name HN )
( resid 61 and name HN )
6.0 0.1 0.1 peak 1063 weight 1.1 volume 318.21790 ppm1 7.74900 ppm2 7.86400
ASSI ( resid 65 and name HN )
( resid 64 and name HN )
6.0 0.1 0.1 peak 1064 weight 1.1 volume 418.36111 ppm1 7.67700 ppm2 7.89300
ASSI ( resid 43 and name HN )
( resid 44 and name HN )
6.0 0.1 0.1 peak 1065 weight 1.1 volume 353.57791 ppm1 7.69900 ppm2 7.97400
ASSI ( resid 32 and name HN )
( resid 31 and name HN )
6.0 0.1 0.1 peak 1066 weight 1.1 volume 1000.65979 ppm1 7.84000 ppm2 8.19800
OR ( resid 30 and name HN )
( resid 31 and name HN )
ASSI ( resid 65 and name HN )
( resid 66 and name HN )
6.0 0.1 0.1 peak 1067 weight 1.1 volume 286.77310 ppm1 7.67600 ppm2 8.12500
ASSI ( resid 62 and name HN )
( resid 63 and name HN )
6.0 0.1 0.1 peak 1068 weight 1.1 volume 328.39789 ppm1 7.75100 ppm2 8.27100
OR ( resid 62 and name HN )
( resid 60 and name HN )
ASSI ( resid 65 and name HN )
( resid 63 and name HN )
6.0 0.1 0.1 peak 1069 weight 1.1 volume 63.19920 ppm1 7.67900 ppm2 8.27100
ASSI ( resid 35 and name HD21 )
( resid 28 and name HN )
6.0 0.1 0.1 peak 1070 weight 1.1 volume 26.66790 ppm1 7.60400 ppm2 8.22800
ASSI ( resid 61 and name HN )
( resid 60 and name HN )
6.0 0.1 0.1 peak 1071 weight 1.1 volume 592.97052 ppm1 7.87600 ppm2 8.27100
OR ( resid 61 and name HN )
( resid 63 and name HN )
OR ( resid 64 and name HN )
( resid 60 and name HN )
OR ( resid 64 and name HN )
( resid 63 and name HN )
ASSI ( resid 30 and name HN )
( resid 29 and name HN )
6.0 0.1 0.1 peak 1072 weight 1.1 volume 479.11679 ppm1 7.83700 ppm2 8.34400
OR ( resid 30 and name HN )
( resid 33 and name HN )
OR ( resid 32 and name HN )
( resid 29 and name HN )
OR ( resid 32 and name HN )
( resid 33 and name HN )
ASSI ( resid 50 and name HD22 )
( resid 50 and name HN )
6.0 0.1 0.1 peak 1073 weight 1.1 volume 50.72860 ppm1 7.70800 ppm2 8.46000
OR ( resid 50 and name HD22 )
( resid 3 and name HN )
OR ( resid 3 and name HD21 )
( resid 50 and name HN )
OR ( resid 3 and name HD21 )
( resid 3 and name HN )
ASSI ( resid 19 and name HN )
( resid 18 and name HN )
6.0 0.1 0.1 peak 1074 weight 1.1 volume 279.78149 ppm1 7.77100 ppm2 8.55300
ASSI ( resid 20 and name HN )
( resid 18 and name HN )
6.0 0.1 0.1 peak 1075 weight 1.1 volume 51.29830 ppm1 7.71700 ppm2 8.55500
ASSI ( resid 43 and name HN )
( resid 42 and name HN )
6.0 0.1 0.1 peak 1076 weight 1.1 volume 243.22850 ppm1 7.70100 ppm2 8.72500
ASSI ( resid 22 and name HN )
( resid 21 and name HN )
6.0 0.1 0.1 peak 1077 weight 1.1 volume 487.23459 ppm1 7.76500 ppm2 8.77300
ASSI ( resid 22 and name HN )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1078 weight 1.1 volume 245.00369 ppm1 7.76500 ppm2 8.72300
ASSI ( resid 22 and name HN )
( resid 23 and name HN )
6.0 0.1 0.1 peak 1079 weight 1.1 volume 95.32830 ppm1 7.76400 ppm2 8.87000
ASSI ( resid 35 and name HD21 )
( resid 35 and name HN )
6.0 0.1 0.1 peak 1080 weight 1.1 volume 77.57610 ppm1 7.60600 ppm2 8.86300
ASSI ( resid 55 and name HD1 )
( resid 54 and name HN )
6.0 0.1 0.1 peak 1081 weight 1.1 volume 55.22030 ppm1 7.57100 ppm2 8.93000
ASSI ( resid 57 and name HN )
( resid 54 and name HN )
6.0 0.1 0.1 peak 1082 weight 1.1 volume 48.85950 ppm1 7.52000 ppm2 8.92600
ASSI ( resid 55 and name HZ2 )
( resid 55 and name HE1 )
6.0 0.1 0.1 peak 1083 weight 1.1 volume 431.66849 ppm1 7.52200 ppm2 9.89900
ASSI ( resid 55 and name HD1 )
( resid 55 and name HE1 )
6.0 0.1 0.1 peak 1084 weight 1.1 volume 812.23383 ppm1 7.57200 ppm2 9.89800
ASSI ( resid 55 and name HH2 )
( resid 55 and name HZ3 )
6.0 0.1 0.1 peak 1085 weight 1.1 volume 630.98828 ppm1 6.87900 ppm2 6.52000
ASSI ( resid 39 and name HE1 )
( resid 55 and name HZ3 )
6.0 0.1 0.1 peak 1086 weight 1.1 volume 238.17740 ppm1 6.74900 ppm2 6.51700
OR ( resid 39 and name HE2 )
( resid 55 and name HZ3 )
OR ( resid 58 and name HE1 )
( resid 55 and name HZ3 )
OR ( resid 58 and name HE2 )
( resid 55 and name HZ3 )
ASSI ( resid 40 and name HD2 )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1087 weight 1.1 volume 317.35699 ppm1 6.90300 ppm2 5.91200
ASSI ( resid 23 and name HD1 )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1088 weight 1.1 volume 210.25481 ppm1 6.84500 ppm2 5.91400
OR ( resid 23 and name HD2 )
( resid 23 and name HA )
ASSI ( attr store1 < 6.77 and attr store1 > 6.73 )
( attr store1 < 5.951 and attr store1 > 5.871 )
6.0 0.1 0.1 peak 1089 volume 51.40860 ppm1 6.75000 ppm2 5.91100
ASSI ( resid 40 and name HD2 )
( resid 40 and name HA )
6.0 0.1 0.1 peak 1090 weight 1.1 volume 99.65140 ppm1 6.90300 ppm2 5.54900
ASSI ( resid 40 and name HD2 )
( resid 46 and name HA )
6.0 0.1 0.1 peak 1091 weight 1.1 volume 39.94930 ppm1 6.90300 ppm2 5.46600
ASSI ( resid 55 and name HZ3 )
( resid 15 and name HN )
6.0 0.1 0.1 peak 1092 weight 1.1 volume 126.68750 ppm1 6.51700 ppm2 5.52000
ASSI ( resid 40 and name HD2 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1093 weight 1.1 volume 90.22420 ppm1 6.90300 ppm2 5.09600
ASSI ( resid 23 and name HD1 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1094 weight 1.1 volume 51.43590 ppm1 6.84200 ppm2 5.09500
OR ( resid 23 and name HD2 )
( resid 39 and name HA )
ASSI ( resid 10 and name HD1 )
( resid 49 and name HA )
6.0 0.1 0.1 peak 1095 weight 1.1 volume 208.35890 ppm1 6.86900 ppm2 5.05500
OR ( resid 50 and name HD21 )
( resid 49 and name HA )
ASSI ( resid 39 and name HE1 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1096 weight 1.1 volume 141.86800 ppm1 6.74900 ppm2 5.09200
OR ( resid 39 and name HE2 )
( resid 39 and name HA )
ASSI ( resid 10 and name HD1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 1097 weight 1.1 volume 910.47919 ppm1 6.86700 ppm2 4.92100
OR ( resid 10 and name HD2 )
( resid 10 and name HA )
ASSI ( resid 50 and name HD21 )
( resid 48 and name HA )
6.0 0.1 0.1 peak 1098 weight 1.1 volume 148.82201 ppm1 6.86700 ppm2 4.82200
ASSI ( resid 23 and name HD1 )
( resid 25 and name HA )
6.0 0.1 0.1 peak 1099 weight 1.1 volume 61.17120 ppm1 6.84900 ppm2 4.66300
OR ( resid 23 and name HD2 )
( resid 25 and name HA )
ASSI ( attr store1 < 6.923 and attr store1 > 6.883 )
( attr store1 < 4.693 and attr store1 > 4.613 )
6.0 0.1 0.1 peak 1100 volume 26.85080 ppm1 6.90300 ppm2 4.65300
ASSI ( attr store1 < 6.886 and attr store1 > 6.846 )
( attr store1 < 4.726 and attr store1 > 4.646 )
6.0 0.1 0.1 peak 1101 volume 59.21220 ppm1 6.86600 ppm2 4.68600
ASSI ( attr store1 < 6.876 and attr store1 > 6.836 )
( attr store1 < 4.602 and attr store1 > 4.522 )
6.0 0.1 0.1 peak 1102 volume 42.03030 ppm1 6.85600 ppm2 4.56200
ASSI ( resid 29 and name HD21 )
( resid 29 and name HA )
6.0 0.1 0.1 peak 1103 weight 1.1 volume 26.49290 ppm1 6.79100 ppm2 4.55800
ASSI ( attr store1 < 6.761 and attr store1 > 6.721 )
( attr store1 < 4.501 and attr store1 > 4.421 )
6.0 0.1 0.1 peak 1104 volume 22.87310 ppm1 6.74100 ppm2 4.46100
ASSI ( resid 10 and name HD1 )
( resid 11 and name HA )
6.0 0.1 0.1 peak 1105 weight 1.1 volume 21.96080 ppm1 6.86700 ppm2 4.50100
ASSI ( attr store1 < 6.887 and attr store1 > 6.847 )
( attr store1 < 4.501 and attr store1 > 4.421 )
6.0 0.1 0.1 peak 1106 volume 35.72360 ppm1 6.86700 ppm2 4.46100
ASSI ( attr store1 < 6.924 and attr store1 > 6.884 )
( attr store1 < 4.407 and attr store1 > 4.327 )
6.0 0.1 0.1 peak 1107 volume 220.90770 ppm1 6.90400 ppm2 4.36700
ASSI ( resid 23 and name HD2 )
( resid 24 and name HA )
6.0 0.1 0.1 peak 1108 weight 1.1 volume 401.30029 ppm1 6.84800 ppm2 4.36200
OR ( resid 23 and name HD1 )
( resid 24 and name HA )
ASSI ( attr store1 < 6.87 and attr store1 > 6.83 )
( attr store1 < 4.317 and attr store1 > 4.237 )
6.0 0.1 0.1 peak 1109 volume 129.53259 ppm1 6.85000 ppm2 4.27700
ASSI ( resid 55 and name HZ3 )
( resid 15 and name HA )
6.0 0.1 0.1 peak 1110 weight 1.1 volume 32.52380 ppm1 6.51900 ppm2 4.26000
ASSI ( resid 58 and name HE1 )
( resid 58 and name HA )
6.0 0.1 0.1 peak 1111 weight 1.1 volume 89.45640 ppm1 6.74200 ppm2 4.14100
OR ( resid 58 and name HE2 )
( resid 58 and name HA )
ASSI ( resid 40 and name HD2 )
( resid 24 and name HB )
6.0 0.1 0.1 peak 1112 weight 1.1 volume 38.24450 ppm1 6.90200 ppm2 4.01800
ASSI ( resid 58 and name HE1 )
( resid 17 and name HD2 )
6.0 0.1 0.1 peak 1113 weight 1.1 volume 62.41550 ppm1 6.74300 ppm2 3.84300
OR ( resid 58 and name HE1 )
( resid 17 and name HD1 )
OR ( resid 58 and name HE2 )
( resid 17 and name HD2 )
OR ( resid 58 and name HE2 )
( resid 17 and name HD1 )
ASSI ( resid 10 and name HD1 )
( resid 9 and name HA2 )
6.0 0.1 0.1 peak 1114 weight 1.1 volume 62.18640 ppm1 6.86700 ppm2 3.62700
ASSI ( resid 58 and name HE1 )
( resid 59 and name HA )
6.0 0.1 0.1 peak 1115 weight 1.1 volume 60.57440 ppm1 6.74500 ppm2 3.44200
ASSI ( resid 55 and name HZ3 )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 1116 weight 1.1 volume 17.27300 ppm1 6.51900 ppm2 3.56400
ASSI ( resid 10 and name HD2 )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 1117 weight 1.1 volume 686.71460 ppm1 6.86600 ppm2 3.35800
OR ( resid 10 and name HD1 )
( resid 10 and name HB1 )
ASSI ( resid 40 and name HD2 )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 1118 weight 1.1 volume 193.39120 ppm1 6.90300 ppm2 3.32800
ASSI ( attr store1 < 6.887 and attr store1 > 6.847 )
( attr store1 < 3.286 and attr store1 > 3.206 )
6.0 0.1 0.1 peak 1119 volume 129.07860 ppm1 6.86700 ppm2 3.24600
ASSI ( resid 50 and name HD21 )
( resid 50 and name HB1 )
6.0 0.1 0.1 peak 1120 weight 1.1 volume 630.40057 ppm1 6.86800 ppm2 3.12300
OR ( resid 50 and name HD21 )
( resid 48 and name HB2 )
OR ( resid 10 and name HD1 )
( resid 50 and name HB1 )
OR ( resid 10 and name HD1 )
( resid 48 and name HB2 )
OR ( resid 10 and name HD2 )
( resid 50 and name HB1 )
OR ( resid 10 and name HD2 )
( resid 48 and name HB2 )
ASSI ( resid 58 and name HE2 )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 1121 weight 1.1 volume 241.55070 ppm1 6.74400 ppm2 3.15900
OR ( resid 58 and name HE2 )
( resid 58 and name HB1 )
OR ( resid 58 and name HE2 )
( resid 58 and name HB2 )
OR ( resid 58 and name HE1 )
( resid 55 and name HB2 )
OR ( resid 58 and name HE1 )
( resid 58 and name HB1 )
OR ( resid 58 and name HE1 )
( resid 58 and name HB2 )
ASSI ( resid 29 and name HD21 )
( resid 29 and name HB1 )
6.0 0.1 0.1 peak 1122 weight 1.1 volume 131.66110 ppm1 6.79100 ppm2 3.02200
ASSI ( resid 39 and name HE2 )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 1123 weight 1.1 volume 103.67860 ppm1 6.74900 ppm2 3.01200
OR ( resid 39 and name HE1 )
( resid 39 and name HB1 )
ASSI ( resid 39 and name HE1 )
( resid 60 and name HA )
6.0 0.1 0.1 peak 1124 weight 1.1 volume 243.62180 ppm1 6.74900 ppm2 2.93200
OR ( resid 39 and name HE2 )
( resid 60 and name HA )
ASSI ( resid 39 and name HE2 )
( resid 56 and name HA )
6.0 0.1 0.1 peak 1125 weight 1.1 volume 307.74411 ppm1 6.74900 ppm2 2.87500
OR ( resid 39 and name HE1 )
( resid 56 and name HA )
ASSI ( resid 29 and name HD21 )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 1126 weight 1.1 volume 115.49370 ppm1 6.79100 ppm2 2.90400
ASSI ( resid 39 and name HE2 )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 1127 weight 1.1 volume 75.15330 ppm1 6.74900 ppm2 2.79000
OR ( resid 39 and name HE1 )
( resid 39 and name HB2 )
ASSI ( resid 55 and name HZ3 )
( resid 56 and name HA )
6.0 0.1 0.1 peak 1128 weight 1.1 volume 38.65810 ppm1 6.52000 ppm2 2.88300
ASSI ( resid 23 and name HD2 )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 1129 weight 1.1 volume 627.72937 ppm1 6.84800 ppm2 2.93600
OR ( resid 23 and name HD1 )
( resid 23 and name HB1 )
ASSI ( resid 40 and name HD2 )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 1130 weight 1.1 volume 261.97061 ppm1 6.90300 ppm2 2.86500
ASSI ( resid 10 and name HD1 )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 1131 weight 1.1 volume 930.54822 ppm1 6.86700 ppm2 2.80500
OR ( resid 10 and name HD1 )
( resid 69 and name HB2 )
OR ( resid 69 and name HD21 )
( resid 10 and name HB2 )
OR ( resid 69 and name HD21 )
( resid 69 and name HB2 )
ASSI ( resid 69 and name HD21 )
( resid 69 and name HB1 )
6.0 0.1 0.1 peak 1132 weight 1.1 volume 390.17319 ppm1 6.86500 ppm2 2.73200
OR ( resid 69 and name HD21 )
( resid 50 and name HB2 )
OR ( resid 69 and name HD21 )
( resid 3 and name HB1 )
OR ( resid 50 and name HD21 )
( resid 69 and name HB1 )
OR ( resid 50 and name HD21 )
( resid 50 and name HB2 )
OR ( resid 50 and name HD21 )
( resid 3 and name HB1 )
OR ( resid 3 and name HD22 )
( resid 69 and name HB1 )
OR ( resid 3 and name HD22 )
( resid 50 and name HB2 )
OR ( resid 3 and name HD22 )
( resid 3 and name HB1 )
OR ( resid 10 and name HD1 )
( resid 69 and name HB1 )
OR ( resid 10 and name HD1 )
( resid 50 and name HB2 )
OR ( resid 10 and name HD1 )
( resid 3 and name HB1 )
OR ( resid 10 and name HD2 )
( resid 69 and name HB1 )
OR ( resid 10 and name HD2 )
( resid 50 and name HB2 )
OR ( resid 10 and name HD2 )
( resid 3 and name HB1 )
ASSI ( resid 40 and name HD2 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 1133 weight 1.1 volume 77.17770 ppm1 6.90300 ppm2 2.63200
ASSI ( resid 23 and name HD2 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 1134 weight 1.1 volume 601.10608 ppm1 6.84600 ppm2 2.63100
OR ( resid 23 and name HD1 )
( resid 23 and name HB2 )
ASSI ( resid 39 and name HE1 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 1135 weight 1.1 volume 99.16250 ppm1 6.75000 ppm2 2.63300
OR ( resid 39 and name HE2 )
( resid 23 and name HB2 )
ASSI ( attr store1 < 6.904 and attr store1 > 6.864 )
( attr store1 < 2.426 and attr store1 > 2.346 )
6.0 0.1 0.1 peak 1136 volume 19.66980 ppm1 6.88400 ppm2 2.38600
ASSI ( resid 55 and name HZ3 )
( resid 14 and name HA )
6.0 0.1 0.1 peak 1137 weight 1.1 volume 45.97560 ppm1 6.51900 ppm2 2.39000
ASSI ( attr store1 < 6.885 and attr store1 > 6.845 )
( attr store1 < 2.243 and attr store1 > 2.163 )
6.0 0.1 0.1 peak 1138 volume 17.30090 ppm1 6.86500 ppm2 2.20300
ASSI ( resid 58 and name HE1 )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 1139 weight 1.1 volume 152.74139 ppm1 6.74400 ppm2 2.19900
OR ( resid 58 and name HE2 )
( resid 59 and name HG12 )
ASSI ( resid 69 and name HD21 )
( resid 70 and name HB1 )
6.0 0.1 0.1 peak 1140 weight 1.1 volume 18.93460 ppm1 6.86400 ppm2 2.06700
ASSI ( resid 23 and name HD1 )
( resid 63 and name HB1 )
6.0 0.1 0.1 peak 1141 weight 1.1 volume 231.77850 ppm1 6.84600 ppm2 1.94700
OR ( resid 23 and name HD2 )
( resid 63 and name HB1 )
ASSI ( resid 23 and name HD2 )
( resid 63 and name HG )
6.0 0.1 0.1 peak 1142 weight 1.1 volume 281.17520 ppm1 6.85000 ppm2 1.85300
OR ( resid 23 and name HD1 )
( resid 63 and name HG )
ASSI ( resid 26 and name HE21 )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 1143 weight 1.1 volume 292.16779 ppm1 6.86200 ppm2 1.89400
ASSI ( resid 39 and name HE1 )
( resid 56 and name HB )
6.0 0.1 0.1 peak 1144 weight 1.1 volume 90.84120 ppm1 6.74700 ppm2 1.76200
ASSI ( resid 58 and name HE1 )
( resid 17 and name HG2 )
6.0 0.1 0.1 peak 1145 weight 1.1 volume 109.65560 ppm1 6.74400 ppm2 1.91500
OR ( resid 58 and name HE1 )
( resid 17 and name HG1 )
OR ( resid 58 and name HE2 )
( resid 17 and name HG2 )
OR ( resid 58 and name HE2 )
( resid 17 and name HG1 )
ASSI ( resid 39 and name HE2 )
( resid 59 and name HB )
6.0 0.1 0.1 peak 1146 weight 1.1 volume 302.15289 ppm1 6.74900 ppm2 1.83600
OR ( resid 39 and name HE1 )
( resid 59 and name HB )
ASSI ( resid 23 and name HD2 )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 1147 weight 1.1 volume 268.31369 ppm1 6.84800 ppm2 1.69300
OR ( resid 23 and name HD1 )
( resid 25 and name HB1 )
ASSI ( resid 40 and name HD2 )
( resid 38 and name HB )
6.0 0.1 0.1 peak 1148 weight 1.1 volume 25.34390 ppm1 6.90300 ppm2 1.77300
ASSI ( attr store1 < 6.885 and attr store1 > 6.845 )
( attr store1 < 1.743 and attr store1 > 1.663 )
6.0 0.1 0.1 peak 1149 volume 439.04660 ppm1 6.86500 ppm2 1.70300
ASSI ( resid 55 and name HH2 )
( resid 15 and name HG )
6.0 0.1 0.1 peak 1150 weight 1.1 volume 297.47031 ppm1 6.87000 ppm2 1.57600
OR ( resid 55 and name HH2 )
( resid 13 and name HB1 )
OR ( resid 55 and name HH2 )
( resid 13 and name HB2 )
ASSI ( attr store1 < 6.89 and attr store1 > 6.85 )
( attr store1 < 1.568 and attr store1 > 1.488 )
6.0 0.1 0.1 peak 1151 volume 372.94540 ppm1 6.87000 ppm2 1.52800
ASSI ( resid 58 and name HE2 )
( resid 62 and name HB2 )
6.0 0.1 0.1 peak 1152 weight 1.1 volume 62.14850 ppm1 6.74400 ppm2 1.58100
OR ( resid 58 and name HE1 )
( resid 62 and name HB2 )
ASSI ( attr store1 < 6.764 and attr store1 > 6.724 )
( attr store1 < 1.495 and attr store1 > 1.415 )
6.0 0.1 0.1 peak 1153 volume 36.22450 ppm1 6.74400 ppm2 1.45500
ASSI ( resid 55 and name HZ3 )
( resid 15 and name HG )
6.0 0.1 0.1 peak 1154 weight 1.1 volume 114.87410 ppm1 6.51900 ppm2 1.57500
ASSI ( resid 23 and name HD2 )
( resid 25 and name HG1 )
6.0 0.1 0.1 peak 1155 weight 1.1 volume 113.85550 ppm1 6.84800 ppm2 1.43100
OR ( resid 23 and name HD2 )
( resid 25 and name HG2 )
OR ( resid 23 and name HD1 )
( resid 25 and name HG1 )
OR ( resid 23 and name HD1 )
( resid 25 and name HG2 )
ASSI ( resid 50 and name HD21 )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 1156 weight 1.1 volume 1132.97986 ppm1 6.86800 ppm2 1.35500
ASSI ( resid 55 and name HZ3 )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 1157 weight 1.1 volume 208.10060 ppm1 6.51800 ppm2 1.33700
ASSI ( resid 55 and name HZ3 )
( resid 15 and name HB1 )
6.0 0.1 0.1 peak 1158 weight 1.1 volume 211.29330 ppm1 6.51800 ppm2 1.25400
ASSI ( resid 39 and name HE2 )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 1159 weight 1.1 volume 578.50427 ppm1 6.74800 ppm2 1.23800
OR ( resid 39 and name HE1 )
( resid 49 and name HB1 )
ASSI ( resid 55 and name HH2 )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 1160 weight 1.1 volume 443.73679 ppm1 6.86900 ppm2 1.24000
OR ( resid 50 and name HD21 )
( resid 49 and name HB1 )
ASSI ( resid 40 and name HD2 )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 1161 weight 1.1 volume 123.65800 ppm1 6.90200 ppm2 1.18100
ASSI ( resid 23 and name HD2 )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 1162 weight 1.1 volume 50.64150 ppm1 6.84700 ppm2 1.18000
OR ( resid 23 and name HD1 )
( resid 24 and name HG21 )
ASSI ( attr store1 < 6.888 and attr store1 > 6.848 )
( attr store1 < 1.206 and attr store1 > 1.126 )
6.0 0.1 0.1 peak 1163 volume 107.02330 ppm1 6.86800 ppm2 1.16600
ASSI ( attr store1 < 6.768 and attr store1 > 6.728 )
( attr store1 < 1.202 and attr store1 > 1.122 )
6.0 0.1 0.1 peak 1164 volume 93.26610 ppm1 6.74800 ppm2 1.16200
ASSI ( resid 39 and name HE1 )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1165 weight 1.1 volume 149.35870 ppm1 6.74900 ppm2 1.04900
OR ( resid 39 and name HE2 )
( resid 20 and name HG21 )
ASSI ( resid 29 and name HD21 )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 1166 weight 1.1 volume 25.71810 ppm1 6.79100 ppm2 1.08900
ASSI ( resid 23 and name HD1 )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1167 weight 1.1 volume 104.16540 ppm1 6.85000 ppm2 1.04900
ASSI ( attr store1 < 6.924 and attr store1 > 6.884 )
( attr store1 < 1.085 and attr store1 > 1.005 )
6.0 0.1 0.1 peak 1168 volume 34.36390 ppm1 6.90400 ppm2 1.04500
ASSI ( resid 23 and name HD1 )
( resid 63 and name HD21 )
6.0 0.1 0.1 peak 1169 weight 1.1 volume 484.24451 ppm1 6.84800 ppm2 0.90000
OR ( resid 23 and name HD2 )
( resid 63 and name HD21 )
ASSI ( resid 23 and name HD1 )
( resid 63 and name HD11 )
6.0 0.1 0.1 peak 1170 weight 1.1 volume 329.80661 ppm1 6.85400 ppm2 0.84100
OR ( resid 23 and name HD2 )
( resid 63 and name HD11 )
ASSI ( attr store1 < 6.912 and attr store1 > 6.872 )
( attr store1 < 0.902 and attr store1 > 0.822 )
6.0 0.1 0.1 peak 1171 volume 191.91190 ppm1 6.89200 ppm2 0.86200
ASSI ( attr store1 < 6.81 and attr store1 > 6.77 )
( attr store1 < 0.893 and attr store1 > 0.813 )
6.0 0.1 0.1 peak 1172 volume 44.10040 ppm1 6.79000 ppm2 0.85300
ASSI ( attr store1 < 6.767 and attr store1 > 6.727 )
( attr store1 < 0.896 and attr store1 > 0.816 )
6.0 0.1 0.1 peak 1173 volume 136.40630 ppm1 6.74700 ppm2 0.85600
ASSI ( resid 58 and name HE2 )
( resid 59 and name HG11 )
6.0 0.1 0.1 peak 1174 weight 1.1 volume 296.09500 ppm1 6.74900 ppm2 0.90100
OR ( resid 58 and name HE1 )
( resid 59 and name HG11 )
OR ( resid 39 and name HE1 )
( resid 59 and name HG11 )
OR ( resid 39 and name HE2 )
( resid 59 and name HG11 )
ASSI ( resid 55 and name HZ3 )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 1175 weight 1.1 volume 171.91840 ppm1 6.52000 ppm2 0.86200
ASSI ( resid 55 and name HZ3 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1176 weight 1.1 volume 490.44891 ppm1 6.51900 ppm2 0.70400
ASSI ( resid 55 and name HZ3 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1177 weight 1.1 volume 56.93810 ppm1 6.51800 ppm2 0.63500
ASSI ( resid 55 and name HZ3 )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 1178 weight 1.1 volume 16.25250 ppm1 6.52100 ppm2 0.51000
ASSI ( resid 58 and name HE1 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1179 weight 1.1 volume 682.75537 ppm1 6.74400 ppm2 0.71300
OR ( resid 58 and name HE2 )
( resid 59 and name HD11 )
ASSI ( resid 58 and name HE1 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1180 weight 1.1 volume 499.01709 ppm1 6.74900 ppm2 0.63400
OR ( resid 58 and name HE2 )
( resid 59 and name HG21 )
ASSI ( attr store1 < 6.889 and attr store1 > 6.849 )
( attr store1 < 0.738 and attr store1 > 0.658 )
6.0 0.1 0.1 peak 1181 volume 177.18660 ppm1 6.86900 ppm2 0.69800
ASSI ( attr store1 < 6.923 and attr store1 > 6.883 )
( attr store1 < 0.765 and attr store1 > 0.685 )
6.0 0.1 0.1 peak 1182 volume 69.19010 ppm1 6.90300 ppm2 0.72500
ASSI ( resid 23 and name HD1 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1183 weight 1.1 volume 59.53350 ppm1 6.84600 ppm2 0.63400
OR ( resid 23 and name HD2 )
( resid 59 and name HG21 )
ASSI ( resid 39 and name HE2 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1184 weight 1.1 volume 62.06480 ppm1 6.74900 ppm2 0.52600
OR ( resid 39 and name HE1 )
( resid 37 and name HD11 )
ASSI ( resid 23 and name HD1 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1185 weight 1.1 volume 336.11050 ppm1 6.84900 ppm2 0.52900
OR ( resid 23 and name HD2 )
( resid 37 and name HD11 )
ASSI ( resid 40 and name HD2 )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1186 weight 1.1 volume 100.99850 ppm1 6.90200 ppm2 0.52200
ASSI ( resid 23 and name HD1 )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 1187 weight 1.1 volume 167.58110 ppm1 6.85000 ppm2 0.34600
OR ( resid 23 and name HD2 )
( resid 60 and name HG21 )
ASSI ( resid 23 and name HD1 )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 1188 weight 1.1 volume 170.37511 ppm1 6.84800 ppm2 0.28100
OR ( resid 23 and name HD2 )
( resid 60 and name HG11 )
ASSI ( resid 39 and name HE1 )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 1189 weight 1.1 volume 493.65411 ppm1 6.75000 ppm2 0.28100
OR ( resid 39 and name HE2 )
( resid 60 and name HG11 )
ASSI ( resid 55 and name HZ3 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1190 weight 1.1 volume 103.29280 ppm1 6.52000 ppm2 0.35200
ASSI ( resid 10 and name HD2 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1191 weight 1.1 volume 413.84189 ppm1 6.86700 ppm2 0.17000
OR ( resid 10 and name HD1 )
( resid 34 and name HD11 )
ASSI ( resid 55 and name HZ3 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 1192 weight 1.1 volume 48.43050 ppm1 6.52000 ppm2 0.06300
ASSI ( resid 23 and name HD2 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1193 weight 1.1 volume 464.11890 ppm1 6.84900 ppm2 -0.38000
OR ( resid 23 and name HD1 )
( resid 37 and name HG21 )
ASSI ( resid 55 and name HH2 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1194 weight 1.1 volume 140.33710 ppm1 6.86800 ppm2 -0.56000
ASSI ( resid 39 and name HE2 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1195 weight 1.1 volume 311.64789 ppm1 6.74800 ppm2 -0.56000
OR ( resid 39 and name HE1 )
( resid 56 and name HG11 )
ASSI ( resid 39 and name HE1 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1196 weight 1.1 volume 270.76440 ppm1 6.74800 ppm2 -0.38000
OR ( resid 39 and name HE2 )
( resid 37 and name HG21 )
ASSI ( resid 55 and name HZ3 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1197 weight 1.1 volume 54.75100 ppm1 6.51900 ppm2 -0.56000
ASSI ( resid 39 and name HZ )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1198 weight 1.1 volume 31.02850 ppm1 6.90200 ppm2 -0.38000
ASSI ( resid 27 and name HN )
( resid 27 and name HG )
6.0 0.1 0.1 peak 1199 weight 1.1 volume 196.60429 ppm1 8.79000 ppm2 1.53400
ASSI ( resid 59 and name HN )
( resid 58 and name HN )
6.0 0.1 0.1 peak 1200 weight 1.1 volume 504.80289 ppm1 7.51300 ppm2 8.08200
OR ( resid 59 and name HN )
( resid 13 and name HN )
OR ( resid 55 and name HZ2 )
( resid 58 and name HN )
OR ( resid 55 and name HZ2 )
( resid 13 and name HN )
OR ( resid 57 and name HN )
( resid 58 and name HN )
OR ( resid 57 and name HN )
( resid 13 and name HN )
ASSI ( resid 59 and name HN )
( resid 61 and name HN )
6.0 0.1 0.1 peak 1201 weight 1.1 volume 68.69230 ppm1 7.50700 ppm2 7.86700
ASSI ( resid 59 and name HN )
( resid 60 and name HN )
6.0 0.1 0.1 peak 1202 weight 1.1 volume 321.06421 ppm1 7.50700 ppm2 8.26600
ASSI ( resid 55 and name HD1 )
( resid 55 and name HN )
6.0 0.1 0.1 peak 1203 weight 1.1 volume 467.59631 ppm1 7.57100 ppm2 8.44100
ASSI ( resid 57 and name HN )
( resid 55 and name HN )
6.0 0.1 0.1 peak 1204 weight 1.1 volume 145.29910 ppm1 7.51400 ppm2 8.45000
ASSI ( resid 55 and name HE3 )
( resid 55 and name HN )
6.0 0.1 0.1 peak 1205 weight 1.1 volume 68.46130 ppm1 7.35300 ppm2 8.44400
ASSI ( attr store1 < 7.359 and attr store1 > 7.319 )
( attr store1 < 8.269 and attr store1 > 8.189 )
6.0 0.1 0.1 peak 1206 volume 59.48920 ppm1 7.33900 ppm2 8.22900
ASSI ( resid 4 and name HE1 )
( resid 4 and name HN )
6.0 0.1 0.1 peak 1207 weight 1.1 volume 29.01240 ppm1 7.34000 ppm2 8.14600
OR ( resid 4 and name HE2 )
( resid 4 and name HN )
ASSI ( attr store1 < 7.322 and attr store1 > 7.282 )
( attr store1 < 8.27 and attr store1 > 8.19 )
6.0 0.1 0.1 peak 1208 volume 79.68350 ppm1 7.30200 ppm2 8.23000
ASSI ( resid 34 and name HN )
( resid 6 and name HN )
6.0 0.1 0.1 peak 1209 weight 1.1 volume 135.94370 ppm1 7.25800 ppm2 8.02400
ASSI ( attr store1 < 7.278 and attr store1 > 7.238 )
( attr store1 < 8.179 and attr store1 > 8.099 )
6.0 0.1 0.1 peak 1210 volume 19.44470 ppm1 7.25800 ppm2 8.13900
ASSI ( resid 9 and name HN )
( resid 10 and name HN )
6.0 0.1 0.1 peak 1211 weight 1.1 volume 143.73599 ppm1 7.26300 ppm2 8.28900
ASSI ( resid 34 and name HN )
( resid 33 and name HN )
6.0 0.1 0.1 peak 1212 weight 1.1 volume 392.79111 ppm1 7.26000 ppm2 8.36300
ASSI ( resid 4 and name HE1 )
( resid 5 and name HN )
6.0 0.1 0.1 peak 1213 weight 1.1 volume 23.99920 ppm1 7.33900 ppm2 8.31800
ASSI ( resid 19 and name HD1 )
( resid 18 and name HN )
6.0 0.1 0.1 peak 1214 weight 1.1 volume 35.69460 ppm1 7.30100 ppm2 8.55700
ASSI ( resid 16 and name HD2 )
( resid 16 and name HE1 )
6.0 0.1 0.1 peak 1215 weight 1.1 volume 20.19330 ppm1 7.21800 ppm2 8.43600
ASSI ( attr store1 < 7.177 and attr store1 > 7.137 )
( attr store1 < 8.493 and attr store1 > 8.413 )
6.0 0.1 0.1 peak 1216 volume 80.79070 ppm1 7.15700 ppm2 8.45300
ASSI ( resid 45 and name HN )
( resid 46 and name HN )
6.0 0.1 0.1 peak 1217 weight 1.1 volume 85.62950 ppm1 7.15900 ppm2 8.60500
ASSI ( resid 16 and name HD2 )
( resid 16 and name HN )
6.0 0.1 0.1 peak 1218 weight 1.1 volume 128.85490 ppm1 7.21600 ppm2 8.23300
ASSI ( resid 4 and name HD2 )
( resid 5 and name HN )
6.0 0.1 0.1 peak 1219 weight 1.1 volume 99.75670 ppm1 7.18200 ppm2 8.32300
OR ( resid 4 and name HD1 )
( resid 5 and name HN )
ASSI ( attr store1 < 7.164 and attr store1 > 7.124 )
( attr store1 < 8.287 and attr store1 > 8.207 )
6.0 0.1 0.1 peak 1220 volume 90.88320 ppm1 7.14400 ppm2 8.24700
ASSI ( attr store1 < 7.128 and attr store1 > 7.088 )
( attr store1 < 8.309 and attr store1 > 8.229 )
6.0 0.1 0.1 peak 1221 volume 206.11121 ppm1 7.10800 ppm2 8.26900
ASSI ( resid 4 and name HD1 )
( resid 4 and name HN )
6.0 0.1 0.1 peak 1222 weight 1.1 volume 161.51570 ppm1 7.18200 ppm2 8.14900
OR ( resid 4 and name HD2 )
( resid 4 and name HN )
ASSI ( resid 19 and name HE1 )
( resid 19 and name HN )
6.0 0.1 0.1 peak 1223 weight 1.1 volume 50.01780 ppm1 7.33100 ppm2 7.77600
OR ( resid 19 and name HE2 )
( resid 19 and name HN )
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
( attr store1 < 7.748 and attr store1 > 7.668 )
6.0 0.1 0.1 peak 1224 volume 51.48850 ppm1 7.30000 ppm2 7.70800
ASSI ( resid 19 and name HD2 )
( resid 19 and name HN )
6.0 0.1 0.1 peak 1225 weight 1.1 volume 173.77541 ppm1 7.29700 ppm2 7.77700
OR ( resid 19 and name HD1 )
( resid 19 and name HN )
ASSI ( resid 34 and name HN )
( resid 32 and name HN )
6.0 0.1 0.1 peak 1226 weight 1.1 volume 35.86620 ppm1 7.26100 ppm2 7.84000
ASSI ( attr store1 < 7.271 and attr store1 > 7.231 )
( attr store1 < 7.914 and attr store1 > 7.834 )
6.0 0.1 0.1 peak 1227 volume 63.41150 ppm1 7.25100 ppm2 7.87400
ASSI ( attr store1 < 7.354 and attr store1 > 7.314 )
( attr store1 < 7.746 and attr store1 > 7.666 )
6.0 0.1 0.1 peak 1228 volume 33.05040 ppm1 7.33400 ppm2 7.70600
ASSI ( attr store1 < 7.162 and attr store1 > 7.122 )
( attr store1 < 7.799 and attr store1 > 7.719 )
6.0 0.1 0.1 peak 1229 volume 110.86480 ppm1 7.14200 ppm2 7.75900
ASSI ( resid 45 and name HN )
( resid 43 and name HN )
6.0 0.1 0.1 peak 1230 weight 1.1 volume 264.60751 ppm1 7.16000 ppm2 7.70600
ASSI ( resid 35 and name HD22 )
( resid 35 and name HD21 )
6.0 0.1 0.1 peak 1231 weight 1.1 volume 1714.81677 ppm1 7.14300 ppm2 7.60600
ASSI ( attr store1 < 7.184 and attr store1 > 7.144 )
( attr store1 < 7.559 and attr store1 > 7.479 )
6.0 0.1 0.1 peak 1232 volume 2066.78662 ppm1 7.16400 ppm2 7.51900
ASSI ( resid 58 and name HD1 )
( resid 59 and name HN )
6.0 0.1 0.1 peak 1233 weight 1.1 volume 357.72849 ppm1 7.10400 ppm2 7.50900
OR ( resid 58 and name HD1 )
( resid 57 and name HN )
ASSI ( resid 23 and name HE1 )
( resid 25 and name HE )
6.0 0.1 0.1 peak 1234 weight 1.1 volume 182.06120 ppm1 7.10400 ppm2 7.43000
OR ( resid 23 and name HE2 )
( resid 25 and name HE )
ASSI ( attr store1 < 7.059 and attr store1 > 7.019 )
( attr store1 < 7.548 and attr store1 > 7.468 )
6.0 0.1 0.1 peak 1235 volume 76.39550 ppm1 7.03900 ppm2 7.50800
ASSI ( resid 53 and name HE22 )
( resid 53 and name HE21 )
6.0 0.1 0.1 peak 1236 weight 1.1 volume 962.93091 ppm1 7.03700 ppm2 7.70900
ASSI ( attr store1 < 7.128 and attr store1 > 7.088 )
( attr store1 < 7.792 and attr store1 > 7.712 )
6.0 0.1 0.1 peak 1237 volume 69.98970 ppm1 7.10800 ppm2 7.75200
ASSI ( attr store1 < 7.125 and attr store1 > 7.085 )
( attr store1 < 7.926 and attr store1 > 7.846 )
6.0 0.1 0.1 peak 1238 volume 148.97380 ppm1 7.10500 ppm2 7.88600
ASSI ( resid 4 and name HD1 )
( resid 6 and name HN )
6.0 0.1 0.1 peak 1239 weight 1.1 volume 59.59790 ppm1 7.18100 ppm2 8.02100
OR ( resid 4 and name HD2 )
( resid 6 and name HN )
ASSI ( resid 26 and name HE22 )
( resid 6 and name HN )
6.0 0.1 0.1 peak 1240 weight 1.1 volume 326.53229 ppm1 7.09900 ppm2 8.02400
ASSI ( resid 45 and name HN )
( resid 44 and name HN )
6.0 0.1 0.1 peak 1241 weight 1.1 volume 436.62259 ppm1 7.16100 ppm2 7.97000
ASSI ( resid 58 and name HD1 )
( resid 58 and name HN )
6.0 0.1 0.1 peak 1242 weight 1.1 volume 234.60550 ppm1 7.10000 ppm2 8.07800
OR ( resid 58 and name HD2 )
( resid 58 and name HN )
ASSI ( resid 53 and name HE22 )
( resid 50 and name HN )
6.0 0.1 0.1 peak 1243 weight 1.1 volume 28.59910 ppm1 7.03700 ppm2 8.46000
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
( attr store1 < 8.767 and attr store1 > 8.687 )
6.0 0.1 0.1 peak 1244 volume 36.15750 ppm1 7.30000 ppm2 8.72700
ASSI ( resid 34 and name HN )
( resid 35 and name HN )
6.0 0.1 0.1 peak 1245 weight 1.1 volume 81.19520 ppm1 7.25600 ppm2 8.86500
ASSI ( resid 39 and name HD1 )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1246 weight 1.1 volume 296.38861 ppm1 7.14100 ppm2 8.72200
OR ( resid 39 and name HD2 )
( resid 40 and name HN )
ASSI ( resid 35 and name HD22 )
( resid 35 and name HN )
6.0 0.1 0.1 peak 1247 weight 1.1 volume 154.74100 ppm1 7.14200 ppm2 8.86900
ASSI ( resid 39 and name HD2 )
( resid 47 and name HN )
6.0 0.1 0.1 peak 1248 weight 1.1 volume 62.39740 ppm1 7.13800 ppm2 9.00200
OR ( resid 39 and name HD1 )
( resid 47 and name HN )
ASSI ( attr store1 < 7.123 and attr store1 > 7.083 )
( attr store1 < 8.828 and attr store1 > 8.748 )
6.0 0.1 0.1 peak 1249 volume 26.79880 ppm1 7.10300 ppm2 8.78800
ASSI ( resid 23 and name HE2 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 1250 weight 1.1 volume 116.47880 ppm1 7.10200 ppm2 8.87100
ASSI ( resid 23 and name HE1 )
( resid 25 and name HN )
6.0 0.1 0.1 peak 1251 weight 1.1 volume 50.50200 ppm1 7.10300 ppm2 9.00000
OR ( resid 23 and name HE2 )
( resid 25 and name HN )
ASSI ( resid 45 and name HN )
( resid 41 and name HN )
6.0 0.1 0.1 peak 1252 weight 1.1 volume 216.55280 ppm1 7.15800 ppm2 8.94600
OR ( resid 45 and name HN )
( resid 54 and name HN )
OR ( resid 53 and name HN )
( resid 41 and name HN )
OR ( resid 53 and name HN )
( resid 54 and name HN )
ASSI ( resid 9 and name HN )
( resid 8 and name HN )
6.0 0.1 0.1 peak 1253 weight 1.1 volume 618.49139 ppm1 7.26400 ppm2 9.16000
ASSI ( attr store1 < 7.123 and attr store1 > 7.083 )
( attr store1 < 9.185 and attr store1 > 9.105 )
6.0 0.1 0.1 peak 1254 volume 84.07440 ppm1 7.10300 ppm2 9.14500
ASSI ( resid 39 and name HD1 )
( resid 39 and name HN )
6.0 0.1 0.1 peak 1255 weight 1.1 volume 277.74490 ppm1 7.13900 ppm2 9.16500
ASSI ( resid 9 and name HN )
( resid 7 and name HN )
6.0 0.1 0.1 peak 1256 weight 1.1 volume 40.98410 ppm1 7.26400 ppm2 10.16900
ASSI ( resid 26 and name HE22 )
( resid 7 and name HN )
6.0 0.1 0.1 peak 1257 weight 1.1 volume 164.49870 ppm1 7.10100 ppm2 10.17100
ASSI ( attr store1 < 7.183 and attr store1 > 7.143 )
( attr store1 < 9.939 and attr store1 > 9.859 )
6.0 0.1 0.1 peak 1258 volume 101.01910 ppm1 7.16300 ppm2 9.89900
ASSI ( resid 50 and name HD21 )
( resid 49 and name HN )
6.0 0.1 0.1 peak 1259 weight 1.1 volume 151.17191 ppm1 6.86700 ppm2 9.92700
ASSI ( resid 10 and name HD2 )
( resid 36 and name HN )
6.0 0.1 0.1 peak 1260 weight 1.1 volume 48.51300 ppm1 6.86700 ppm2 9.49600
OR ( resid 10 and name HD1 )
( resid 36 and name HN )
ASSI ( resid 40 and name HD2 )
( resid 24 and name HN )
6.0 0.1 0.1 peak 1261 weight 1.1 volume 143.29710 ppm1 6.90300 ppm2 9.13600
ASSI ( resid 50 and name HD21 )
( resid 48 and name HN )
6.0 0.1 0.1 peak 1262 weight 1.1 volume 45.90090 ppm1 6.86600 ppm2 9.08500
ASSI ( resid 23 and name HD1 )
( resid 24 and name HN )
6.0 0.1 0.1 peak 1263 weight 1.1 volume 173.26140 ppm1 6.84900 ppm2 9.13200
OR ( resid 23 and name HD2 )
( resid 24 and name HN )
ASSI ( resid 39 and name HE1 )
( resid 39 and name HN )
6.0 0.1 0.1 peak 1264 weight 1.1 volume 44.55010 ppm1 6.75000 ppm2 9.15900
OR ( resid 39 and name HE2 )
( resid 39 and name HN )
ASSI ( resid 23 and name HD1 )
( resid 25 and name HN )
6.0 0.1 0.1 peak 1265 weight 1.1 volume 80.62460 ppm1 6.84800 ppm2 9.00100
OR ( resid 23 and name HD2 )
( resid 25 and name HN )
ASSI ( attr store1 < 6.922 and attr store1 > 6.882 )
( attr store1 < 9.04 and attr store1 > 8.96 )
6.0 0.1 0.1 peak 1266 volume 32.76380 ppm1 6.90200 ppm2 9.00000
ASSI ( resid 40 and name HD2 )
( resid 41 and name HN )
6.0 0.1 0.1 peak 1267 weight 1.1 volume 35.08850 ppm1 6.90200 ppm2 8.95900
ASSI ( resid 40 and name HD2 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 1268 weight 1.1 volume 152.74770 ppm1 6.90200 ppm2 8.87100
ASSI ( resid 10 and name HD1 )
( resid 11 and name HN )
6.0 0.1 0.1 peak 1269 weight 1.1 volume 272.73129 ppm1 6.86800 ppm2 8.92000
OR ( resid 10 and name HD2 )
( resid 11 and name HN )
ASSI ( resid 23 and name HD1 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 1270 weight 1.1 volume 451.22421 ppm1 6.85100 ppm2 8.87300
OR ( resid 23 and name HD2 )
( resid 23 and name HN )
ASSI ( attr store1 < 6.777 and attr store1 > 6.737 )
( attr store1 < 8.914 and attr store1 > 8.834 )
6.0 0.1 0.1 peak 1271 volume 18.43220 ppm1 6.75700 ppm2 8.87400
ASSI ( resid 26 and name HE21 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 1272 weight 1.1 volume 21.42400 ppm1 6.85700 ppm2 8.79700
ASSI ( resid 23 and name HD2 )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1273 weight 1.1 volume 29.70410 ppm1 6.85000 ppm2 8.72300
ASSI ( resid 40 and name HD2 )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1274 weight 1.1 volume 140.29179 ppm1 6.90300 ppm2 8.72200
ASSI ( attr store1 < 6.769 and attr store1 > 6.729 )
( attr store1 < 8.76 and attr store1 > 8.68 )
6.0 0.1 0.1 peak 1275 volume 19.67430 ppm1 6.74900 ppm2 8.72000
ASSI ( resid 40 and name HD2 )
( resid 40 and name HE1 )
6.0 0.1 0.1 peak 1276 weight 1.1 volume 24.10000 ppm1 6.90300 ppm2 8.53000
ASSI ( resid 50 and name HD21 )
( resid 50 and name HN )
6.0 0.1 0.1 peak 1277 weight 1.1 volume 408.46069 ppm1 6.86700 ppm2 8.46600
ASSI ( attr store1 < 6.768 and attr store1 > 6.728 )
( attr store1 < 8.309 and attr store1 > 8.229 )
6.0 0.1 0.1 peak 1278 volume 103.11920 ppm1 6.74800 ppm2 8.26900
ASSI ( resid 39 and name HE2 )
( resid 60 and name HN )
6.0 0.1 0.1 peak 1279 weight 1.1 volume 7.59900 ppm1 6.86700 ppm2 8.39100
ASSI ( resid 10 and name HD1 )
( resid 10 and name HN )
6.0 0.1 0.1 peak 1280 weight 1.1 volume 399.97220 ppm1 6.86227 ppm2 8.28835
OR ( resid 10 and name HD2 )
( resid 10 and name HN )
ASSI ( attr store1 < 6.771 and attr store1 > 6.731 )
( attr store1 < 8.121 and attr store1 > 8.041 )
6.0 0.1 0.1 peak 1281 volume 33.86100 ppm1 6.75100 ppm2 8.08100
ASSI ( attr store1 < 6.87 and attr store1 > 6.83 )
( attr store1 < 7.928 and attr store1 > 7.848 )
6.0 0.1 0.1 peak 1282 volume 45.49720 ppm1 6.85000 ppm2 7.88800
ASSI ( attr store1 < 6.81 and attr store1 > 6.77 )
( attr store1 < 7.872 and attr store1 > 7.792 )
6.0 0.1 0.1 peak 1283 volume 11.44400 ppm1 6.79000 ppm2 7.83200
ASSI ( resid 40 and name HD2 )
( resid 22 and name HN )
6.0 0.1 0.1 peak 1284 weight 1.1 volume 43.56130 ppm1 6.90200 ppm2 7.76400
ASSI ( attr store1 < 6.92 and attr store1 > 6.88 )
( attr store1 < 7.748 and attr store1 > 7.668 )
6.0 0.1 0.1 peak 1285 volume 57.22040 ppm1 6.90000 ppm2 7.70800
ASSI ( resid 3 and name HD22 )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 1286 weight 1.1 volume 295.39700 ppm1 6.86700 ppm2 7.70600
OR ( resid 3 and name HD22 )
( resid 50 and name HD22 )
OR ( resid 50 and name HD21 )
( resid 3 and name HD21 )
OR ( resid 50 and name HD21 )
( resid 50 and name HD22 )
ASSI ( resid 55 and name HH2 )
( resid 55 and name HZ2 )
6.0 0.1 0.1 peak 1287 weight 1.1 volume 458.99500 ppm1 6.88400 ppm2 7.52300
ASSI ( resid 29 and name HD21 )
( resid 29 and name HD22 )
6.0 0.1 0.1 peak 1288 weight 1.1 volume 2152.51221 ppm1 6.79100 ppm2 7.53900
ASSI ( attr store1 < 6.875 and attr store1 > 6.835 )
( attr store1 < 7.819 and attr store1 > 7.739 )
6.0 0.1 0.1 peak 1289 volume 22.06980 ppm1 6.85500 ppm2 7.77900
ASSI ( resid 29 and name HD21 )
( resid 35 and name HD21 )
6.0 0.1 0.1 peak 1290 weight 1.1 volume 41.93730 ppm1 6.79200 ppm2 7.60000
ASSI ( resid 55 and name HH2 )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 1291 weight 1.1 volume 108.90920 ppm1 6.87800 ppm2 7.35700
ASSI ( resid 58 and name HE2 )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 1292 weight 1.1 volume 85.50820 ppm1 6.74300 ppm2 7.35400
ASSI ( attr store1 < 6.923 and attr store1 > 6.883 )
( attr store1 < 7.255 and attr store1 > 7.175 )
6.0 0.1 0.1 peak 1293 volume 69.93750 ppm1 6.90300 ppm2 7.21500
ASSI ( resid 23 and name HD1 )
( resid 23 and name HZ )
6.0 0.1 0.1 peak 1294 weight 1.1 volume 455.84790 ppm1 6.85300 ppm2 7.25700
OR ( resid 23 and name HD2 )
( resid 23 and name HZ )
ASSI ( resid 26 and name HE21 )
( resid 26 and name HE22 )
6.0 0.1 0.1 peak 1295 weight 1.1 volume 2156.09595 ppm1 6.85200 ppm2 7.10400
OR ( resid 26 and name HE21 )
( resid 23 and name HE2 )
OR ( resid 26 and name HE21 )
( resid 23 and name HE1 )
OR ( resid 23 and name HD2 )
( resid 26 and name HE22 )
OR ( resid 23 and name HD2 )
( resid 23 and name HE2 )
OR ( resid 23 and name HD2 )
( resid 23 and name HE1 )
OR ( resid 23 and name HD1 )
( resid 26 and name HE22 )
OR ( resid 23 and name HD1 )
( resid 23 and name HE2 )
OR ( resid 23 and name HD1 )
( resid 23 and name HE1 )
ASSI ( resid 58 and name HE1 )
( resid 58 and name HD1 )
6.0 0.1 0.1 peak 1296 weight 1.1 volume 3223.63330 ppm1 6.74400 ppm2 7.09600
OR ( resid 58 and name HE1 )
( resid 58 and name HD2 )
OR ( resid 58 and name HE2 )
( resid 58 and name HD1 )
OR ( resid 58 and name HE2 )
( resid 58 and name HD2 )
ASSI ( attr store1 < 6.764 and attr store1 > 6.724 )
( attr store1 < 7.284 and attr store1 > 7.204 )
6.0 0.1 0.1 peak 1297 volume 107.52190 ppm1 6.74400 ppm2 7.24400
ASSI ( attr store1 < 6.888 and attr store1 > 6.848 )
( attr store1 < 7.073 and attr store1 > 6.993 )
6.0 0.1 0.1 peak 1298 volume 251.01810 ppm1 6.86800 ppm2 7.03300
ASSI ( resid 23 and name HA )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1299 weight 1.1 volume 159.82970 ppm1 5.91200 ppm2 8.72200
ASSI ( resid 23 and name HA )
( resid 23 and name HN )
6.0 0.1 0.1 peak 1300 weight 1.1 volume 222.18260 ppm1 5.91300 ppm2 8.87200
ASSI ( resid 23 and name HA )
( resid 24 and name HN )
6.0 0.1 0.1 peak 1301 weight 1.1 volume 522.79413 ppm1 5.91100 ppm2 9.13500
ASSI ( resid 55 and name HZ3 )
( resid 55 and name HZ2 )
6.0 0.1 0.1 peak 1302 weight 1.1 volume 160.39790 ppm1 6.52000 ppm2 7.52700
ASSI ( resid 55 and name HZ3 )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 1303 weight 1.1 volume 618.55042 ppm1 6.51900 ppm2 7.35400
ASSI ( resid 55 and name HZ3 )
( resid 39 and name HD1 )
6.0 0.1 0.1 peak 1304 weight 1.1 volume 165.70869 ppm1 6.51800 ppm2 7.13400
ASSI ( resid 23 and name HA )
( resid 39 and name HD2 )
6.0 0.1 0.1 peak 1305 weight 1.1 volume 221.11850 ppm1 5.91300 ppm2 7.14000
OR ( resid 23 and name HA )
( resid 39 and name HD1 )
ASSI ( resid 55 and name HZ3 )
( resid 55 and name HH2 )
6.0 0.1 0.1 peak 1306 weight 1.1 volume 661.61682 ppm1 6.51900 ppm2 6.87800
ASSI ( resid 55 and name HZ3 )
( resid 39 and name HE1 )
6.0 0.1 0.1 peak 1307 weight 1.1 volume 288.67120 ppm1 6.51900 ppm2 6.74700
OR ( resid 55 and name HZ3 )
( resid 39 and name HE2 )
ASSI ( attr store1 < 5.93 and attr store1 > 5.89 )
( attr store1 < 6.789 and attr store1 > 6.709 )
6.0 0.1 0.1 peak 1308 volume 49.58860 ppm1 5.91000 ppm2 6.74900
ASSI ( resid 23 and name HA )
( resid 23 and name HD1 )
6.0 0.1 0.1 peak 1309 weight 1.1 volume 170.06779 ppm1 5.91100 ppm2 6.84600
OR ( resid 23 and name HA )
( resid 23 and name HD2 )
ASSI ( resid 23 and name HA )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 1310 weight 1.1 volume 198.59540 ppm1 5.91300 ppm2 6.90300
ASSI ( resid 23 and name HA )
( resid 24 and name HA )
6.0 0.1 0.1 peak 1311 weight 1.1 volume 145.04680 ppm1 5.91300 ppm2 4.35300
ASSI ( resid 23 and name HA )
( resid 24 and name HB )
6.0 0.1 0.1 peak 1312 weight 1.1 volume 33.89820 ppm1 5.91100 ppm2 4.01200
ASSI ( resid 23 and name HA )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 1313 weight 1.1 volume 32.15880 ppm1 5.91100 ppm2 3.01200
ASSI ( resid 23 and name HA )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 1314 weight 1.1 volume 391.47311 ppm1 5.91100 ppm2 2.63200
ASSI ( resid 23 and name HA )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 1315 weight 1.1 volume 360.69260 ppm1 5.91200 ppm2 2.94000
ASSI ( resid 23 and name HA )
( resid 38 and name HB )
6.0 0.1 0.1 peak 1316 weight 1.1 volume 22.63580 ppm1 5.91200 ppm2 1.77500
ASSI ( resid 23 and name HA )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 1317 weight 1.1 volume 32.99700 ppm1 5.91200 ppm2 1.18100
ASSI ( resid 23 and name HA )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1318 weight 1.1 volume 30.07000 ppm1 5.91300 ppm2 1.04600
ASSI ( resid 23 and name HA )
( resid 63 and name HD21 )
6.0 0.1 0.1 peak 1319 weight 1.1 volume 48.51820 ppm1 5.91000 ppm2 0.90100
ASSI ( resid 23 and name HA )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1320 weight 1.1 volume 34.99000 ppm1 5.91100 ppm2 0.52200
ASSI ( resid 23 and name HA )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1321 weight 1.1 volume 99.19170 ppm1 5.91300 ppm2 -0.38000
ASSI ( resid 56 and name HN )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1322 weight 1.1 volume 370.90900 ppm1 5.78000 ppm2 -0.56000
ASSI ( resid 15 and name HN )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 1323 weight 1.1 volume 126.26910 ppm1 5.52100 ppm2 0.06200
ASSI ( resid 56 and name HN )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 1324 weight 1.1 volume 121.64310 ppm1 5.78000 ppm2 0.31200
ASSI ( resid 41 and name HA )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1325 weight 1.1 volume 88.83020 ppm1 5.40800 ppm2 0.35500
ASSI ( resid 40 and name HA )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1326 weight 1.1 volume 34.55020 ppm1 5.54362 ppm2 0.52024
ASSI ( resid 46 and name HA )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1327 weight 1.1 volume 238.59959 ppm1 5.46700 ppm2 0.52200
ASSI ( resid 41 and name HA )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 1328 weight 1.1 volume 210.06850 ppm1 5.40700 ppm2 0.72600
ASSI ( resid 35 and name HA )
( resid 27 and name HD11 )
6.0 0.1 0.1 peak 1329 weight 1.1 volume 51.19820 ppm1 5.20100 ppm2 0.81300
ASSI ( resid 41 and name HA )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 1330 weight 1.1 volume 157.58020 ppm1 5.40700 ppm2 0.88100
ASSI ( attr store1 < 5.485 and attr store1 > 5.445 )
( attr store1 < 0.903 and attr store1 > 0.823 )
6.0 0.1 0.1 peak 1331 volume 84.46430 ppm1 5.46500 ppm2 0.86300
ASSI ( attr store1 < 5.56119 and attr store1 > 5.52119 )
( attr store1 < 0.90692 and attr store1 > 0.82692 )
6.0 0.1 0.1 peak 1332 volume 50.21270 ppm1 5.54119 ppm2 0.86692
ASSI ( attr store1 < 5.56038 and attr store1 > 5.52038 )
( attr store1 < 0.99359 and attr store1 > 0.91359 )
6.0 0.1 0.1 peak 1333 volume 41.27980 ppm1 5.54038 ppm2 0.95359
ASSI ( attr store1 < 5.56038 and attr store1 > 5.52038 )
( attr store1 < 0.76322 and attr store1 > 0.68322 )
6.0 0.1 0.1 peak 1334 volume 101.61730 ppm1 5.54038 ppm2 0.72322
ASSI ( resid 46 and name HA )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 1335 weight 1.1 volume 166.91209 ppm1 5.46600 ppm2 0.95400
ASSI ( resid 41 and name HA )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 1336 weight 1.1 volume 124.91680 ppm1 5.41000 ppm2 0.95200
ASSI ( resid 41 and name HA )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1337 weight 1.1 volume 136.20461 ppm1 5.40900 ppm2 1.04800
ASSI ( resid 35 and name HA )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 1338 weight 1.1 volume 70.85760 ppm1 5.20000 ppm2 1.08800
ASSI ( resid 39 and name HA )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1339 weight 1.1 volume 36.94630 ppm1 5.09300 ppm2 1.04900
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
( attr store1 < 1.203 and attr store1 > 1.123 )
6.0 0.1 0.1 peak 1340 volume 56.93930 ppm1 5.77200 ppm2 1.16300
ASSI ( resid 46 and name HA )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 1341 weight 1.1 volume 175.59509 ppm1 5.46500 ppm2 1.16500
ASSI ( resid 41 and name HA )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 1342 weight 1.1 volume 570.50189 ppm1 5.41000 ppm2 1.16400
ASSI ( resid 40 and name HA )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 1343 weight 1.1 volume 194.40030 ppm1 5.55200 ppm2 1.16300
ASSI ( attr store1 < 5.801 and attr store1 > 5.761 )
( attr store1 < 1.276 and attr store1 > 1.196 )
6.0 0.1 0.1 peak 1344 volume 45.33680 ppm1 5.78100 ppm2 1.23600
ASSI ( resid 49 and name HA )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 1345 weight 1.1 volume 191.95650 ppm1 5.05400 ppm2 1.24000
ASSI ( resid 15 and name HN )
( resid 15 and name HB1 )
6.0 0.1 0.1 peak 1346 weight 1.1 volume 58.17470 ppm1 5.52300 ppm2 1.27800
ASSI ( resid 15 and name HN )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 1347 weight 1.1 volume 70.55950 ppm1 5.52100 ppm2 1.33500
ASSI ( resid 35 and name HA )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 1348 weight 1.1 volume 43.21520 ppm1 5.19800 ppm2 1.35500
ASSI ( attr store1 < 5.429 and attr store1 > 5.389 )
( attr store1 < 1.447 and attr store1 > 1.367 )
6.0 0.1 0.1 peak 1349 volume 78.83750 ppm1 5.40900 ppm2 1.40700
ASSI ( attr store1 < 5.431 and attr store1 > 5.391 )
( attr store1 < 1.521 and attr store1 > 1.441 )
6.0 0.1 0.1 peak 1350 volume 54.21630 ppm1 5.41100 ppm2 1.48100
ASSI ( resid 56 and name HN )
( resid 57 and name HG1 )
6.0 0.1 0.1 peak 1351 weight 1.1 volume 60.81720 ppm1 5.77800 ppm2 1.45600
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
( attr store1 < 1.617 and attr store1 > 1.537 )
6.0 0.1 0.1 peak 1352 volume 30.31250 ppm1 5.77200 ppm2 1.57700
ASSI ( resid 15 and name HN )
( resid 15 and name HG )
6.0 0.1 0.1 peak 1353 weight 1.1 volume 84.22380 ppm1 5.52800 ppm2 1.57000
ASSI ( attr store1 < 5.491 and attr store1 > 5.451 )
( attr store1 < 1.612 and attr store1 > 1.532 )
6.0 0.1 0.1 peak 1354 volume 68.58600 ppm1 5.47100 ppm2 1.57200
ASSI ( resid 49 and name HA )
( resid 11 and name HG21 )
6.0 0.1 0.1 peak 1355 weight 1.1 volume 19.76110 ppm1 5.05600 ppm2 1.52400
ASSI ( resid 56 and name HN )
( resid 53 and name HB2 )
6.0 0.1 0.1 peak 1356 weight 1.1 volume 140.16910 ppm1 5.78000 ppm2 1.86800
ASSI ( resid 56 and name HN )
( resid 56 and name HB )
6.0 0.1 0.1 peak 1357 weight 1.1 volume 417.92139 ppm1 5.78000 ppm2 1.77100
ASSI ( resid 46 and name HA )
( resid 47 and name HB )
6.0 0.1 0.1 peak 1358 weight 1.1 volume 101.08860 ppm1 5.46700 ppm2 2.02800
ASSI ( resid 41 and name HA )
( resid 42 and name HB1 )
6.0 0.1 0.1 peak 1359 weight 1.1 volume 41.73450 ppm1 5.41000 ppm2 1.97900
ASSI ( resid 41 and name HA )
( resid 42 and name HB2 )
6.0 0.1 0.1 peak 1360 weight 1.1 volume 109.59030 ppm1 5.41100 ppm2 1.87500
ASSI ( resid 15 and name HN )
( resid 14 and name HA )
6.0 0.1 0.1 peak 1361 weight 1.1 volume 322.97610 ppm1 5.52200 ppm2 2.38900
ASSI ( resid 56 and name HN )
( resid 56 and name HA )
6.0 0.1 0.1 peak 1362 weight 1.1 volume 136.03960 ppm1 5.78100 ppm2 2.88000
ASSI ( resid 56 and name HN )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 1363 weight 1.1 volume 55.72750 ppm1 5.77800 ppm2 3.15900
OR ( resid 56 and name HN )
( resid 58 and name HB1 )
ASSI ( resid 40 and name HA )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 1364 weight 1.1 volume 441.45541 ppm1 5.55500 ppm2 3.32700
ASSI ( resid 46 and name HA )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 1365 weight 1.1 volume 54.37670 ppm1 5.46500 ppm2 3.32700
ASSI ( resid 46 and name HA )
( resid 46 and name HB2 )
6.0 0.1 0.1 peak 1366 weight 1.1 volume 433.30069 ppm1 5.46600 ppm2 3.57300
ASSI ( resid 40 and name HA )
( resid 46 and name HB2 )
6.0 0.1 0.1 peak 1367 weight 1.1 volume 31.19940 ppm1 5.55200 ppm2 3.57300
ASSI ( resid 56 and name HN )
( resid 57 and name HA )
6.0 0.1 0.1 peak 1368 weight 1.1 volume 86.82030 ppm1 5.77900 ppm2 3.59400
ASSI ( resid 46 and name HA )
( resid 46 and name HB1 )
6.0 0.1 0.1 peak 1369 weight 1.1 volume 344.13699 ppm1 5.46600 ppm2 3.69600
ASSI ( resid 15 and name HN )
( resid 15 and name HA )
6.0 0.1 0.1 peak 1370 weight 1.1 volume 100.29580 ppm1 5.51900 ppm2 4.25200
ASSI ( resid 46 and name HA )
( resid 47 and name HA )
6.0 0.1 0.1 peak 1371 weight 1.1 volume 87.84270 ppm1 5.46700 ppm2 4.35400
ASSI ( resid 56 and name HN )
( resid 55 and name HA )
6.0 0.1 0.1 peak 1372 weight 1.1 volume 61.33280 ppm1 5.78000 ppm2 4.46200
ASSI ( resid 56 and name HN )
( resid 53 and name HA )
6.0 0.1 0.1 peak 1373 weight 1.1 volume 16.09130 ppm1 5.77900 ppm2 4.24200
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
( attr store1 < 4.683 and attr store1 > 4.603 )
6.0 0.1 0.1 peak 1374 volume 39.14740 ppm1 5.77200 ppm2 4.64300
ASSI ( resid 40 and name HA )
( resid 45 and name HA )
6.0 0.1 0.1 peak 1375 weight 1.1 volume 48.27800 ppm1 5.55600 ppm2 4.63900
ASSI ( resid 46 and name HA )
( resid 45 and name HA )
6.0 0.1 0.1 peak 1376 weight 1.1 volume 104.49700 ppm1 5.46600 ppm2 4.64000
ASSI ( resid 41 and name HA )
( resid 19 and name HA )
6.0 0.1 0.1 peak 1377 weight 1.1 volume 58.35800 ppm1 5.41100 ppm2 4.70600
ASSI ( resid 41 and name HA )
( resid 41 and name HB )
6.0 0.1 0.1 peak 1378 weight 1.1 volume 589.45923 ppm1 5.41100 ppm2 4.64400
ASSI ( resid 40 and name HA )
( resid 46 and name HA )
6.0 0.1 0.1 peak 1379 weight 1.1 volume 365.89249 ppm1 5.55200 ppm2 5.46800
ASSI ( resid 41 and name HA )
( resid 40 and name HA )
6.0 0.1 0.1 peak 1380 weight 1.1 volume 82.36320 ppm1 5.41400 ppm2 5.55100
ASSI ( resid 46 and name HA )
( resid 40 and name HA )
6.0 0.1 0.1 peak 1381 weight 1.1 volume 297.70789 ppm1 5.46700 ppm2 5.55000
ASSI ( resid 56 and name HN )
( resid 53 and name HN )
6.0 0.1 0.1 peak 1382 weight 1.1 volume 63.30200 ppm1 5.77900 ppm2 7.15700
ASSI ( resid 40 and name HA )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 1383 weight 1.1 volume 50.02810 ppm1 5.55300 ppm2 6.90300
ASSI ( resid 46 and name HA )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 1384 weight 1.1 volume 13.70830 ppm1 5.46700 ppm2 6.90000
ASSI ( resid 40 and name HA )
( resid 45 and name HN )
6.0 0.1 0.1 peak 1385 weight 1.1 volume 18.87550 ppm1 5.55600 ppm2 7.15600
ASSI ( resid 56 and name HN )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 1386 weight 1.1 volume 27.58030 ppm1 5.77800 ppm2 7.34900
ASSI ( resid 56 and name HN )
( resid 57 and name HN )
6.0 0.1 0.1 peak 1387 weight 1.1 volume 289.11951 ppm1 5.78000 ppm2 7.51500
ASSI ( resid 56 and name HN )
( resid 55 and name HD1 )
6.0 0.1 0.1 peak 1388 weight 1.1 volume 74.42250 ppm1 5.78100 ppm2 7.57100
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
( attr store1 < 7.743 and attr store1 > 7.663 )
6.0 0.1 0.1 peak 1389 volume 16.90500 ppm1 5.77200 ppm2 7.70300
ASSI ( resid 56 and name HN )
( resid 58 and name HN )
6.0 0.1 0.1 peak 1390 weight 1.1 volume 39.22260 ppm1 5.77900 ppm2 8.08100
ASSI ( resid 56 and name HN )
( resid 55 and name HN )
6.0 0.1 0.1 peak 1391 weight 1.1 volume 171.29500 ppm1 5.78000 ppm2 8.44200
ASSI ( resid 40 and name HA )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1392 weight 1.1 volume 181.60110 ppm1 5.55500 ppm2 8.72300
ASSI ( resid 46 and name HA )
( resid 46 and name HN )
6.0 0.1 0.1 peak 1393 weight 1.1 volume 232.92790 ppm1 5.46800 ppm2 8.60300
ASSI ( resid 41 and name HA )
( resid 21 and name HN )
6.0 0.1 0.1 peak 1394 weight 1.1 volume 297.57590 ppm1 5.40900 ppm2 8.78100
ASSI ( resid 46 and name HA )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1395 weight 1.1 volume 33.66580 ppm1 5.46900 ppm2 8.72100
ASSI ( resid 41 and name HA )
( resid 42 and name HN )
6.0 0.1 0.1 peak 1396 weight 1.1 volume 635.55432 ppm1 5.41000 ppm2 8.72300
ASSI ( resid 56 and name HN )
( resid 54 and name HN )
6.0 0.1 0.1 peak 1397 weight 1.1 volume 16.87570 ppm1 5.77800 ppm2 8.93500
ASSI ( resid 46 and name HA )
( resid 47 and name HN )
6.0 0.1 0.1 peak 1398 weight 1.1 volume 815.23407 ppm1 5.46700 ppm2 9.00800
ASSI ( resid 41 and name HA )
( resid 41 and name HN )
6.0 0.1 0.1 peak 1399 weight 1.1 volume 196.97650 ppm1 5.41200 ppm2 8.95800
ASSI ( resid 40 and name HA )
( resid 41 and name HN )
6.0 0.1 0.1 peak 1400 weight 1.1 volume 811.88757 ppm1 5.55400 ppm2 8.95800
ASSI ( resid 46 and name HA )
( resid 39 and name HN )
6.0 0.1 0.1 peak 1401 weight 1.1 volume 52.43790 ppm1 5.46600 ppm2 9.16900
ASSI ( resid 35 and name HA )
( resid 36 and name HN )
6.0 0.1 0.1 peak 1402 weight 1.1 volume 482.87170 ppm1 5.19800 ppm2 9.49600
ASSI ( resid 39 and name HA )
( resid 39 and name HN )
6.0 0.1 0.1 peak 1403 weight 1.1 volume 49.52650 ppm1 5.09700 ppm2 9.15700
ASSI ( resid 35 and name HA )
( resid 35 and name HN )
6.0 0.1 0.1 peak 1404 weight 1.1 volume 121.11340 ppm1 5.19900 ppm2 8.86500
ASSI ( resid 35 and name HA )
( resid 26 and name HN )
6.0 0.1 0.1 peak 1405 weight 1.1 volume 38.24200 ppm1 5.20000 ppm2 8.79700
OR ( resid 35 and name HA )
( resid 27 and name HN )
ASSI ( resid 39 and name HA )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1406 weight 1.1 volume 147.98950 ppm1 5.10000 ppm2 8.72300
ASSI ( resid 49 and name HA )
( resid 50 and name HN )
6.0 0.1 0.1 peak 1407 weight 1.1 volume 89.50090 ppm1 5.05200 ppm2 8.46100
ASSI ( resid 32 and name HA )
( resid 33 and name HN )
6.0 0.1 0.1 peak 1408 weight 1.1 volume 72.56100 ppm1 4.98300 ppm2 8.37300
ASSI ( resid 27 and name HA )
( resid 28 and name HN )
6.0 0.1 0.1 peak 1409 weight 1.1 volume 34.29670 ppm1 4.94000 ppm2 8.22900
ASSI ( resid 35 and name HA )
( resid 28 and name HN )
6.0 0.1 0.1 peak 1410 weight 1.1 volume 156.42101 ppm1 5.19900 ppm2 8.23200
ASSI ( resid 41 and name HA )
( resid 22 and name HN )
6.0 0.1 0.1 peak 1411 weight 1.1 volume 106.68310 ppm1 5.41000 ppm2 7.76300
ASSI ( resid 41 and name HA )
( resid 43 and name HN )
6.0 0.1 0.1 peak 1412 weight 1.1 volume 120.50220 ppm1 5.41000 ppm2 7.70700
ASSI ( resid 35 and name HA )
( resid 35 and name HD21 )
6.0 0.1 0.1 peak 1413 weight 1.1 volume 42.82090 ppm1 5.19400 ppm2 7.60600
ASSI ( resid 39 and name HA )
( resid 39 and name HD1 )
6.0 0.1 0.1 peak 1414 weight 1.1 volume 198.55960 ppm1 5.09700 ppm2 7.14100
OR ( resid 39 and name HA )
( resid 39 and name HD2 )
ASSI ( resid 39 and name HA )
( resid 39 and name HE1 )
6.0 0.1 0.1 peak 1415 weight 1.1 volume 28.35530 ppm1 5.09400 ppm2 6.75200
OR ( resid 39 and name HA )
( resid 39 and name HE2 )
ASSI ( resid 49 and name HA )
( resid 50 and name HD21 )
6.0 0.1 0.1 peak 1416 weight 1.1 volume 25.81690 ppm1 5.05400 ppm2 6.86900
ASSI ( resid 39 and name HA )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1417 weight 1.1 volume 99.36940 ppm1 5.10200 ppm2 5.91000
ASSI ( resid 35 and name HA )
( resid 27 and name HA )
6.0 0.1 0.1 peak 1418 weight 1.1 volume 195.61400 ppm1 5.19800 ppm2 4.94100
ASSI ( resid 35 and name HA )
( resid 34 and name HA )
6.0 0.1 0.1 peak 1419 weight 1.1 volume 43.80870 ppm1 5.19900 ppm2 4.68700
ASSI ( resid 41 and name HA )
( resid 21 and name HA )
6.0 0.1 0.1 peak 1420 weight 1.1 volume 40.10810 ppm1 5.41300 ppm2 4.46100
ASSI ( resid 41 and name HA )
( resid 20 and name HA )
6.0 0.1 0.1 peak 1421 weight 1.1 volume 604.77173 ppm1 5.41100 ppm2 4.24300
ASSI ( resid 41 and name HA )
( resid 42 and name HA )
6.0 0.1 0.1 peak 1422 weight 1.1 volume 88.11720 ppm1 5.41100 ppm2 4.08200
ASSI ( resid 32 and name HA )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 1423 weight 1.1 volume 63.60520 ppm1 4.98800 ppm2 3.40000
ASSI ( resid 39 and name HA )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 1424 weight 1.1 volume 16.04140 ppm1 5.10300 ppm2 2.63000
ASSI ( resid 39 and name HA )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 1425 weight 1.1 volume 47.52200 ppm1 5.09300 ppm2 2.77900
ASSI ( resid 35 and name HA )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 1426 weight 1.1 volume 511.31451 ppm1 5.19700 ppm2 2.73400
OR ( resid 35 and name HA )
( resid 35 and name HB2 )
ASSI ( resid 39 and name HA )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 1427 weight 1.1 volume 93.71960 ppm1 5.09600 ppm2 3.01300
ASSI ( resid 35 and name HA )
( resid 26 and name HG1 )
6.0 0.1 0.1 peak 1428 weight 1.1 volume 78.75000 ppm1 5.20100 ppm2 2.24300
ASSI ( resid 35 and name HA )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 1429 weight 1.1 volume 61.58450 ppm1 5.19900 ppm2 1.89200
ASSI ( resid 53 and name HA )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1430 weight 1.1 volume 43.76990 ppm1 4.24100 ppm2 -0.56000
ASSI ( resid 51 and name HA )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1431 weight 1.1 volume 49.63190 ppm1 3.83600 ppm2 -0.55800
ASSI ( resid 51 and name HA )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1432 weight 1.1 volume 44.90140 ppm1 3.83600 ppm2 -0.37900
ASSI ( resid 37 and name HA )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1433 weight 1.1 volume 253.54080 ppm1 4.37500 ppm2 -0.38100
ASSI ( resid 15 and name HA )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 1434 weight 1.1 volume 49.92680 ppm1 4.25400 ppm2 0.06600
ASSI ( attr store1 < 3.996 and attr store1 > 3.956 )
( attr store1 < 0.104 and attr store1 > 0.024 )
6.0 0.1 0.1 peak 1435 volume 29.15210 ppm1 3.97600 ppm2 0.06400
ASSI ( resid 13 and name HA )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 1436 weight 1.1 volume 88.28720 ppm1 4.16500 ppm2 0.06600
ASSI ( resid 8 and name HA )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1437 weight 1.1 volume 165.56160 ppm1 4.28900 ppm2 0.17200
ASSI ( resid 20 and name HA )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1438 weight 1.1 volume 226.99670 ppm1 4.24700 ppm2 0.35400
ASSI ( attr store1 < 4.034 and attr store1 > 3.994 )
( attr store1 < 0.386 and attr store1 > 0.306 )
6.0 0.1 0.1 peak 1439 volume 110.09030 ppm1 4.01400 ppm2 0.34600
ASSI ( resid 17 and name HA )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1440 weight 1.1 volume 366.16150 ppm1 3.97700 ppm2 0.35400
ASSI ( resid 61 and name HA )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 1441 weight 1.1 volume 109.87200 ppm1 3.87600 ppm2 0.34700
ASSI ( resid 51 and name HA )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 1442 weight 1.1 volume 453.56320 ppm1 3.83300 ppm2 0.30600
ASSI ( attr store1 < 4.183 and attr store1 > 4.143 )
( attr store1 < 0.556 and attr store1 > 0.476 )
6.0 0.1 0.1 peak 1443 volume 31.41740 ppm1 4.16300 ppm2 0.51600
ASSI ( resid 37 and name HA )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1444 weight 1.1 volume 384.89740 ppm1 4.37700 ppm2 0.52900
ASSI ( resid 51 and name HA )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1445 weight 1.1 volume 105.97060 ppm1 3.83500 ppm2 0.52900
ASSI ( resid 24 and name HB )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1446 weight 1.1 volume 141.68250 ppm1 4.01500 ppm2 0.52400
ASSI ( resid 21 and name HA )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 1447 weight 1.1 volume 71.92160 ppm1 4.45800 ppm2 0.72400
ASSI ( attr store1 < 4.279 and attr store1 > 4.239 )
( attr store1 < 0.674 and attr store1 > 0.594 )
6.0 0.1 0.1 peak 1448 volume 47.72280 ppm1 4.25900 ppm2 0.63400
ASSI ( resid 20 and name HA )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 1449 weight 1.1 volume 443.37021 ppm1 4.25500 ppm2 0.72500
OR ( resid 20 and name HA )
( resid 15 and name HD11 )
OR ( resid 15 and name HA )
( resid 21 and name HG21 )
OR ( resid 15 and name HA )
( resid 15 and name HD11 )
ASSI ( resid 42 and name HA )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 1450 weight 1.1 volume 353.22681 ppm1 4.08000 ppm2 0.72500
OR ( resid 42 and name HA )
( resid 62 and name HD21 )
OR ( resid 18 and name HA )
( resid 21 and name HG21 )
OR ( resid 18 and name HA )
( resid 62 and name HD21 )
ASSI ( resid 58 and name HA )
( resid 62 and name HD21 )
6.0 0.1 0.1 peak 1451 weight 1.1 volume 55.55450 ppm1 4.15600 ppm2 0.72200
ASSI ( resid 17 and name HA )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1452 weight 1.1 volume 125.72050 ppm1 3.97700 ppm2 0.63500
ASSI ( resid 17 and name HA )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1453 weight 1.1 volume 282.06180 ppm1 3.97600 ppm2 0.70400
ASSI ( resid 62 and name HA )
( resid 62 and name HD21 )
6.0 0.1 0.1 peak 1454 weight 1.1 volume 635.95978 ppm1 3.92100 ppm2 0.72600
OR ( resid 62 and name HA )
( resid 62 and name HD11 )
ASSI ( resid 17 and name HD1 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1455 weight 1.1 volume 230.61031 ppm1 3.84700 ppm2 0.70300
OR ( resid 17 and name HD2 )
( resid 59 and name HD11 )
ASSI ( attr store1 < 3.857 and attr store1 > 3.817 )
( attr store1 < 0.829 and attr store1 > 0.749 )
6.0 0.1 0.1 peak 1456 volume 139.57130 ppm1 3.83700 ppm2 0.78900
ASSI ( resid 8 and name HA )
( resid 8 and name HD21 )
6.0 0.1 0.1 peak 1457 weight 1.1 volume 1114.43152 ppm1 4.27000 ppm2 0.84700
OR ( resid 8 and name HA )
( resid 63 and name HD11 )
OR ( resid 63 and name HA )
( resid 8 and name HD21 )
OR ( resid 63 and name HA )
( resid 63 and name HD11 )
ASSI ( resid 18 and name HA )
( resid 18 and name HG2 )
6.0 0.1 0.1 peak 1458 weight 1.1 volume 137.31900 ppm1 4.07400 ppm2 0.82300
ASSI ( attr store1 < 4.096 and attr store1 > 4.056 )
( attr store1 < 0.915 and attr store1 > 0.835 )
6.0 0.1 0.1 peak 1459 volume 377.42410 ppm1 4.07600 ppm2 0.87500
ASSI ( resid 18 and name HA )
( resid 18 and name HG1 )
6.0 0.1 0.1 peak 1460 weight 1.1 volume 129.74339 ppm1 4.07500 ppm2 0.97500
ASSI ( attr store1 < 4.033 and attr store1 > 3.993 )
( attr store1 < 0.9 and attr store1 > 0.82 )
6.0 0.1 0.1 peak 1461 volume 183.59940 ppm1 4.01300 ppm2 0.86000
ASSI ( attr store1 < 3.997 and attr store1 > 3.957 )
( attr store1 < 0.979 and attr store1 > 0.899 )
6.0 0.1 0.1 peak 1462 volume 197.46919 ppm1 3.97700 ppm2 0.93900
ASSI ( attr store1 < 3.946 and attr store1 > 3.906 )
( attr store1 < 0.946 and attr store1 > 0.866 )
6.0 0.1 0.1 peak 1463 volume 32.89100 ppm1 3.92600 ppm2 0.90600
ASSI ( resid 67 and name HA )
( resid 67 and name HG11 )
6.0 0.1 0.1 peak 1464 weight 1.1 volume 433.99161 ppm1 4.10200 ppm2 0.91900
OR ( resid 67 and name HA )
( resid 67 and name HG21 )
ASSI ( resid 13 and name HA )
( resid 14 and name HG11 )
6.0 0.1 0.1 peak 1465 weight 1.1 volume 70.65520 ppm1 4.16400 ppm2 0.96600
ASSI ( resid 20 and name HA )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 1466 weight 1.1 volume 91.17200 ppm1 4.24700 ppm2 0.95300
ASSI ( attr store1 < 4.29 and attr store1 > 4.25 )
( attr store1 < 0.944 and attr store1 > 0.864 )
6.0 0.1 0.1 peak 1467 volume 462.10129 ppm1 4.27000 ppm2 0.90400
ASSI ( resid 47 and name HA )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 1468 weight 1.1 volume 338.73199 ppm1 4.35400 ppm2 0.95400
ASSI ( resid 21 and name HA )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 1469 weight 1.1 volume 147.43510 ppm1 4.45900 ppm2 0.88000
ASSI ( attr store1 < 4.399 and attr store1 > 4.359 )
( attr store1 < 1.095 and attr store1 > 1.015 )
6.0 0.1 0.1 peak 1470 volume 45.63430 ppm1 4.37900 ppm2 1.05500
ASSI ( attr store1 < 4.365 and attr store1 > 4.325 )
( attr store1 < 1.088 and attr store1 > 1.008 )
6.0 0.1 0.1 peak 1471 volume 34.60740 ppm1 4.34500 ppm2 1.04800
ASSI ( resid 20 and name HA )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1472 weight 1.1 volume 266.10721 ppm1 4.24600 ppm2 1.04800
ASSI ( resid 11 and name HB )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 1473 weight 1.1 volume 63.07330 ppm1 4.45700 ppm2 1.16700
ASSI ( resid 24 and name HA )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 1474 weight 1.1 volume 714.75079 ppm1 4.35300 ppm2 1.17700
OR ( resid 24 and name HA )
( resid 47 and name HG11 )
OR ( resid 47 and name HA )
( resid 24 and name HG21 )
OR ( resid 47 and name HA )
( resid 47 and name HG11 )
ASSI ( resid 20 and name HA )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 1475 weight 1.1 volume 207.45731 ppm1 4.24600 ppm2 1.16500
ASSI ( resid 54 and name HA )
( resid 54 and name HG21 )
6.0 0.1 0.1 peak 1476 weight 1.1 volume 693.38898 ppm1 4.28400 ppm2 1.23700
OR ( resid 54 and name HA )
( resid 57 and name HG2 )
ASSI ( resid 43 and name HA )
( resid 43 and name HG2 )
6.0 0.1 0.1 peak 1477 weight 1.1 volume 259.99271 ppm1 4.36700 ppm2 1.37200
OR ( resid 43 and name HA )
( resid 43 and name HG1 )
ASSI ( resid 20 and name HA )
( resid 20 and name HG11 )
6.0 0.1 0.1 peak 1478 weight 1.1 volume 446.75159 ppm1 4.24900 ppm2 1.42200
OR ( resid 20 and name HA )
( resid 65 and name HG2 )
OR ( resid 20 and name HA )
( resid 65 and name HG1 )
OR ( resid 65 and name HA )
( resid 20 and name HG11 )
OR ( resid 65 and name HA )
( resid 65 and name HG2 )
OR ( resid 65 and name HA )
( resid 65 and name HG1 )
ASSI ( resid 15 and name HA )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 1479 weight 1.1 volume 424.04761 ppm1 4.25600 ppm2 1.33300
ASSI ( attr store1 < 4.386 and attr store1 > 4.346 )
( attr store1 < 1.525 and attr store1 > 1.445 )
6.0 0.1 0.1 peak 1480 volume 96.07060 ppm1 4.36600 ppm2 1.48500
ASSI ( resid 11 and name HB )
( resid 11 and name HG21 )
6.0 0.1 0.1 peak 1481 weight 1.1 volume 93.03950 ppm1 4.46200 ppm2 1.52500
ASSI ( resid 11 and name HA )
( resid 11 and name HG21 )
6.0 0.1 0.1 peak 1482 weight 1.1 volume 36.91040 ppm1 4.50100 ppm2 1.52600
ASSI ( resid 8 and name HA )
( resid 8 and name HB1 )
6.0 0.1 0.1 peak 1483 weight 1.1 volume 662.66730 ppm1 4.28500 ppm2 1.57500
OR ( resid 8 and name HA )
( resid 8 and name HB2 )
ASSI ( resid 43 and name HA )
( resid 43 and name HB2 )
6.0 0.1 0.1 peak 1484 weight 1.1 volume 303.25781 ppm1 4.36800 ppm2 1.62000
ASSI ( resid 24 and name HA )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 1485 weight 1.1 volume 142.67490 ppm1 4.35400 ppm2 1.69800
OR ( resid 24 and name HA )
( resid 25 and name HB2 )
ASSI ( resid 65 and name HA )
( resid 65 and name HB2 )
6.0 0.1 0.1 peak 1486 weight 1.1 volume 88.68390 ppm1 4.25200 ppm2 1.65900
OR ( resid 65 and name HA )
( resid 18 and name HB2 )
OR ( resid 15 and name HA )
( resid 65 and name HB2 )
OR ( resid 15 and name HA )
( resid 18 and name HB2 )
ASSI ( resid 68 and name HA )
( resid 68 and name HB1 )
6.0 0.1 0.1 peak 1487 weight 1.1 volume 166.74480 ppm1 4.28200 ppm2 1.72300
OR ( resid 68 and name HA )
( resid 57 and name HB2 )
OR ( resid 68 and name HA )
( resid 57 and name HB1 )
OR ( resid 54 and name HA )
( resid 68 and name HB1 )
OR ( resid 54 and name HA )
( resid 57 and name HB2 )
OR ( resid 54 and name HA )
( resid 57 and name HB1 )
ASSI ( resid 66 and name HA )
( resid 66 and name HB1 )
6.0 0.1 0.1 peak 1488 weight 1.1 volume 261.21259 ppm1 4.32200 ppm2 1.77800
ASSI ( resid 66 and name HA )
( resid 66 and name HB2 )
6.0 0.1 0.1 peak 1489 weight 1.1 volume 377.24149 ppm1 4.31900 ppm2 1.84900
OR ( resid 66 and name HA )
( resid 65 and name HB1 )
ASSI ( attr store1 < 4.288 and attr store1 > 4.248 )
( attr store1 < 1.983 and attr store1 > 1.903 )
6.0 0.1 0.1 peak 1490 volume 553.34381 ppm1 4.26800 ppm2 1.94300
ASSI ( resid 53 and name HA )
( resid 53 and name HB1 )
6.0 0.1 0.1 peak 1491 weight 1.1 volume 1444.44434 ppm1 4.25400 ppm2 1.85000
OR ( resid 53 and name HA )
( resid 65 and name HB1 )
OR ( resid 53 and name HA )
( resid 53 and name HB2 )
OR ( resid 53 and name HA )
( resid 63 and name HG )
OR ( resid 65 and name HA )
( resid 53 and name HB1 )
OR ( resid 65 and name HA )
( resid 65 and name HB1 )
OR ( resid 65 and name HA )
( resid 53 and name HB2 )
OR ( resid 65 and name HA )
( resid 63 and name HG )
OR ( resid 63 and name HA )
( resid 53 and name HB1 )
OR ( resid 63 and name HA )
( resid 65 and name HB1 )
OR ( resid 63 and name HA )
( resid 53 and name HB2 )
OR ( resid 63 and name HA )
( resid 63 and name HG )
ASSI ( resid 43 and name HA )
( resid 43 and name HB1 )
6.0 0.1 0.1 peak 1492 weight 1.1 volume 473.05661 ppm1 4.36400 ppm2 2.01800
ASSI ( attr store1 < 4.522 and attr store1 > 4.482 )
( attr store1 < 1.955 and attr store1 > 1.875 )
6.0 0.1 0.1 peak 1493 volume 22.11140 ppm1 4.50200 ppm2 1.91500
ASSI ( resid 68 and name HA )
( resid 67 and name HB )
6.0 0.1 0.1 peak 1494 weight 1.1 volume 20.01900 ppm1 4.28400 ppm2 2.07200
ASSI ( resid 70 and name HA )
( resid 70 and name HB1 )
6.0 0.1 0.1 peak 1495 weight 1.1 volume 22.32800 ppm1 4.26700 ppm2 2.06200
ASSI ( resid 53 and name HA )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 1496 weight 1.1 volume 261.93600 ppm1 4.24000 ppm2 2.20100
ASSI ( resid 21 and name HA )
( resid 21 and name HB )
6.0 0.1 0.1 peak 1497 weight 1.1 volume 178.20740 ppm1 4.46000 ppm2 2.20100
ASSI ( resid 30 and name HA )
( resid 30 and name HG1 )
6.0 0.1 0.1 peak 1498 weight 1.1 volume 60.87430 ppm1 4.49300 ppm2 2.25300
ASSI ( resid 53 and name HA )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 1499 weight 1.1 volume 392.19351 ppm1 4.23900 ppm2 2.44700
ASSI ( resid 6 and name HA )
( resid 6 and name HB2 )
6.0 0.1 0.1 peak 1500 weight 1.1 volume 193.06920 ppm1 4.41000 ppm2 2.70000
ASSI ( resid 6 and name HA )
( resid 6 and name HB1 )
6.0 0.1 0.1 peak 1501 weight 1.1 volume 190.48190 ppm1 4.41000 ppm2 2.86300
ASSI ( attr store1 < 4.278 and attr store1 > 4.238 )
( attr store1 < 2.972 and attr store1 > 2.892 )
6.0 0.1 0.1 peak 1502 volume 45.94670 ppm1 4.25800 ppm2 2.93200
ASSI ( resid 4 and name HA )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 1503 weight 1.1 volume 36.11280 ppm1 4.50400 ppm2 2.97100
ASSI ( resid 4 and name HA )
( resid 4 and name HB2 )
6.0 0.1 0.1 peak 1504 weight 1.1 volume 59.76840 ppm1 4.49900 ppm2 3.07700
ASSI ( resid 55 and name HA )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 1505 weight 1.1 volume 256.48911 ppm1 4.46200 ppm2 3.16300
OR ( resid 55 and name HA )
( resid 58 and name HB1 )
ASSI ( resid 55 and name HA )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 1506 weight 1.1 volume 155.24580 ppm1 4.46100 ppm2 3.56100
ASSI ( resid 47 and name HA )
( resid 48 and name HB1 )
6.0 0.1 0.1 peak 1507 weight 1.1 volume 58.22760 ppm1 4.35400 ppm2 3.51900
ASSI ( resid 31 and name HA2 )
( resid 31 and name HA1 )
6.0 0.1 0.1 peak 1508 weight 1.1 volume 1360.05334 ppm1 4.25400 ppm2 3.52500
ASSI ( attr store1 < 4.26 and attr store1 > 4.22 )
( attr store1 < 3.663 and attr store1 > 3.583 )
6.0 0.1 0.1 peak 1509 volume 125.55930 ppm1 4.24000 ppm2 3.62300
ASSI ( resid 54 and name HA )
( resid 54 and name HB )
6.0 0.1 0.1 peak 1510 weight 1.1 volume 290.87119 ppm1 4.28900 ppm2 3.62500
OR ( resid 54 and name HA )
( resid 9 and name HA2 )
OR ( resid 8 and name HA )
( resid 54 and name HB )
OR ( resid 8 and name HA )
( resid 9 and name HA2 )
ASSI ( resid 2 and name HA )
( resid 2 and name HB2 )
6.0 0.1 0.1 peak 1511 weight 1.1 volume 47.22280 ppm1 4.48000 ppm2 3.76000
OR ( resid 2 and name HA )
( resid 2 and name HB1 )
ASSI ( resid 24 and name HA )
( resid 24 and name HB )
6.0 0.1 0.1 peak 1512 weight 1.1 volume 231.18280 ppm1 4.34700 ppm2 4.01500
ASSI ( attr store1 < 4.571 and attr store1 > 4.531 )
( attr store1 < 4.664 and attr store1 > 4.584 )
6.0 0.1 0.1 peak 1513 volume 42.81590 ppm1 4.55100 ppm2 4.62400
ASSI ( attr store1 < 4.437 and attr store1 > 4.397 )
( attr store1 < 4.626 and attr store1 > 4.546 )
6.0 0.1 0.1 peak 1514 volume 31.27410 ppm1 4.41700 ppm2 4.58600
ASSI ( resid 8 and name HA )
( resid 7 and name HA )
6.0 0.1 0.1 peak 1515 weight 1.1 volume 144.66141 ppm1 4.27200 ppm2 4.56200
OR ( resid 8 and name HA )
( resid 64 and name HA )
OR ( resid 65 and name HA )
( resid 7 and name HA )
OR ( resid 65 and name HA )
( resid 64 and name HA )
OR ( resid 63 and name HA )
( resid 7 and name HA )
OR ( resid 63 and name HA )
( resid 64 and name HA )
ASSI ( resid 20 and name HA )
( resid 41 and name HB )
6.0 0.1 0.1 peak 1516 weight 1.1 volume 101.68620 ppm1 4.24500 ppm2 4.64400
ASSI ( attr store1 < 4.386 and attr store1 > 4.346 )
( attr store1 < 4.701 and attr store1 > 4.621 )
6.0 0.1 0.1 peak 1517 volume 200.54880 ppm1 4.36600 ppm2 4.66100
ASSI ( resid 20 and name HA )
( resid 41 and name HA )
6.0 0.1 0.1 peak 1518 weight 1.1 volume 470.23050 ppm1 4.24600 ppm2 5.41100
ASSI ( resid 15 and name HA )
( resid 15 and name HN )
6.0 0.1 0.1 peak 1519 weight 1.1 volume 111.97400 ppm1 4.25700 ppm2 5.52100
ASSI ( resid 55 and name HA )
( resid 56 and name HN )
6.0 0.1 0.1 peak 1520 weight 1.1 volume 21.23140 ppm1 4.46200 ppm2 5.77600
ASSI ( attr store1 < 4.269 and attr store1 > 4.229 )
( attr store1 < 5.821 and attr store1 > 5.741 )
6.0 0.1 0.1 peak 1521 volume 18.46980 ppm1 4.24900 ppm2 5.78100
ASSI ( resid 24 and name HA )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1522 weight 1.1 volume 76.72350 ppm1 4.34900 ppm2 5.91400
ASSI ( resid 24 and name HA )
( resid 23 and name HD1 )
6.0 0.1 0.1 peak 1523 weight 1.1 volume 88.80490 ppm1 4.35000 ppm2 6.84700
OR ( resid 24 and name HA )
( resid 23 and name HD2 )
ASSI ( attr store1 < 4.296 and attr store1 > 4.256 )
( attr store1 < 6.891 and attr store1 > 6.811 )
6.0 0.1 0.1 peak 1524 volume 61.04680 ppm1 4.27600 ppm2 6.85100
ASSI ( resid 22 and name HA1 )
( resid 40 and name HD2 )
6.0 0.1 0.1 peak 1525 weight 1.1 volume 13.87480 ppm1 4.34000 ppm2 6.90200
ASSI ( resid 53 and name HA )
( resid 53 and name HN )
6.0 0.1 0.1 peak 1526 weight 1.1 volume 214.07719 ppm1 4.23900 ppm2 7.15700
ASSI ( resid 8 and name HA )
( resid 9 and name HN )
6.0 0.1 0.1 peak 1527 weight 1.1 volume 100.65840 ppm1 4.28200 ppm2 7.26600
ASSI ( resid 15 and name HA )
( resid 16 and name HD2 )
6.0 0.1 0.1 peak 1528 weight 1.1 volume 15.36600 ppm1 4.25400 ppm2 7.21900
ASSI ( attr store1 < 4.299 and attr store1 > 4.259 )
( attr store1 < 7.142 and attr store1 > 7.062 )
6.0 0.1 0.1 peak 1529 volume 19.86740 ppm1 4.27900 ppm2 7.10200
ASSI ( attr store1 < 4.369 and attr store1 > 4.329 )
( attr store1 < 7.146 and attr store1 > 7.066 )
6.0 0.1 0.1 peak 1530 volume 15.60870 ppm1 4.34900 ppm2 7.10600
ASSI ( attr store1 < 4.426 and attr store1 > 4.386 )
( attr store1 < 7.139 and attr store1 > 7.059 )
6.0 0.1 0.1 peak 1531 volume 27.93560 ppm1 4.40600 ppm2 7.09900
ASSI ( attr store1 < 4.379 and attr store1 > 4.339 )
( attr store1 < 7.187 and attr store1 > 7.107 )
6.0 0.1 0.1 peak 1532 volume 19.63690 ppm1 4.35900 ppm2 7.14700
ASSI ( resid 55 and name HA )
( resid 55 and name HE3 )
6.0 0.1 0.1 peak 1533 weight 1.1 volume 18.68390 ppm1 4.46200 ppm2 7.35600
ASSI ( resid 53 and name HA )
( resid 57 and name HN )
6.0 0.1 0.1 peak 1534 weight 1.1 volume 68.02010 ppm1 4.24200 ppm2 7.51200
ASSI ( resid 53 and name HA )
( resid 55 and name HD1 )
6.0 0.1 0.1 peak 1535 weight 1.1 volume 40.11160 ppm1 4.24500 ppm2 7.57100
ASSI ( resid 54 and name HA )
( resid 55 and name HD1 )
6.0 0.1 0.1 peak 1536 weight 1.1 volume 31.81410 ppm1 4.28600 ppm2 7.57000
ASSI ( resid 55 and name HA )
( resid 55 and name HD1 )
6.0 0.1 0.1 peak 1537 weight 1.1 volume 23.93370 ppm1 4.46000 ppm2 7.56800
ASSI ( resid 43 and name HA )
( resid 43 and name HN )
6.0 0.1 0.1 peak 1538 weight 1.1 volume 113.75210 ppm1 4.36600 ppm2 7.69700
ASSI ( resid 65 and name HA )
( resid 65 and name HN )
6.0 0.1 0.1 peak 1539 weight 1.1 volume 486.62140 ppm1 4.25200 ppm2 7.67900
ASSI ( resid 20 and name HA )
( resid 22 and name HN )
6.0 0.1 0.1 peak 1540 weight 1.1 volume 299.29541 ppm1 4.24600 ppm2 7.75900
ASSI ( resid 22 and name HA1 )
( resid 22 and name HN )
6.0 0.1 0.1 peak 1541 weight 1.1 volume 72.49110 ppm1 4.33700 ppm2 7.76300
ASSI ( resid 22 and name HA2 )
( resid 22 and name HN )
6.0 0.1 0.1 peak 1542 weight 1.1 volume 66.53480 ppm1 4.38900 ppm2 7.76500
ASSI ( resid 30 and name HA )
( resid 32 and name HN )
6.0 0.1 0.1 peak 1543 weight 1.1 volume 54.30380 ppm1 4.49200 ppm2 7.84100
ASSI ( resid 31 and name HA2 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 1544 weight 1.1 volume 224.45930 ppm1 4.25600 ppm2 7.84700
ASSI ( resid 63 and name HA )
( resid 64 and name HN )
6.0 0.1 0.1 peak 1545 weight 1.1 volume 68.89980 ppm1 4.27700 ppm2 7.88900
ASSI ( resid 70 and name HA )
( resid 70 and name HN )
6.0 0.1 0.1 peak 1546 weight 1.1 volume 91.09010 ppm1 4.26900 ppm2 7.94400
ASSI ( resid 65 and name HA )
( resid 64 and name HN )
6.0 0.1 0.1 peak 1547 weight 1.1 volume 72.47630 ppm1 4.25000 ppm2 7.88700
ASSI ( resid 43 and name HA )
( resid 44 and name HN )
6.0 0.1 0.1 peak 1548 weight 1.1 volume 61.30160 ppm1 4.36700 ppm2 7.97200
ASSI ( resid 6 and name HA )
( resid 6 and name HN )
6.0 0.1 0.1 peak 1549 weight 1.1 volume 117.03020 ppm1 4.41000 ppm2 8.02200
ASSI ( resid 66 and name HA )
( resid 67 and name HN )
6.0 0.1 0.1 peak 1550 weight 1.1 volume 371.26501 ppm1 4.31300 ppm2 8.03100
ASSI ( attr store1 < 4.275 and attr store1 > 4.235 )
( attr store1 < 8.07 and attr store1 > 7.99 )
6.0 0.1 0.1 peak 1551 volume 39.14770 ppm1 4.25500 ppm2 8.03000
ASSI ( resid 55 and name HA )
( resid 58 and name HN )
6.0 0.1 0.1 peak 1552 weight 1.1 volume 12.31180 ppm1 4.46000 ppm2 8.07700
ASSI ( resid 66 and name HA )
( resid 66 and name HN )
6.0 0.1 0.1 peak 1553 weight 1.1 volume 206.05569 ppm1 4.31700 ppm2 8.12400
ASSI ( resid 65 and name HA )
( resid 66 and name HN )
6.0 0.1 0.1 peak 1554 weight 1.1 volume 673.26959 ppm1 4.25000 ppm2 8.12600
ASSI ( resid 31 and name HA2 )
( resid 31 and name HN )
6.0 0.1 0.1 peak 1555 weight 1.1 volume 834.57867 ppm1 4.25800 ppm2 8.20800
ASSI ( resid 63 and name HA )
( resid 63 and name HN )
6.0 0.1 0.1 peak 1556 weight 1.1 volume 351.40549 ppm1 4.26900 ppm2 8.26400
ASSI ( resid 68 and name HA )
( resid 68 and name HN )
6.0 0.1 0.1 peak 1557 weight 1.1 volume 180.19710 ppm1 4.28400 ppm2 8.32700
ASSI ( resid 4 and name HA )
( resid 5 and name HN )
6.0 0.1 0.1 peak 1558 weight 1.1 volume 79.68200 ppm1 4.50500 ppm2 8.31600
ASSI ( resid 2 and name HA )
( resid 3 and name HN )
6.0 0.1 0.1 peak 1559 weight 1.1 volume 146.59061 ppm1 4.46300 ppm2 8.45500
OR ( resid 2 and name HA )
( resid 55 and name HN )
OR ( resid 55 and name HA )
( resid 3 and name HN )
OR ( resid 55 and name HA )
( resid 55 and name HN )
ASSI ( resid 53 and name HA )
( resid 55 and name HN )
6.0 0.1 0.1 peak 1560 weight 1.1 volume 75.78590 ppm1 4.23400 ppm2 8.44100
ASSI ( resid 68 and name HA )
( resid 69 and name HN )
6.0 0.1 0.1 peak 1561 weight 1.1 volume 530.60278 ppm1 4.28600 ppm2 8.44800
OR ( resid 68 and name HA )
( resid 55 and name HN )
OR ( resid 54 and name HA )
( resid 69 and name HN )
OR ( resid 54 and name HA )
( resid 55 and name HN )
ASSI ( resid 24 and name HB )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1562 weight 1.1 volume 48.95320 ppm1 4.01400 ppm2 5.91100
ASSI ( resid 42 and name HA )
( resid 41 and name HA )
6.0 0.1 0.1 peak 1563 weight 1.1 volume 85.57470 ppm1 4.08400 ppm2 5.41100
ASSI ( resid 17 and name HA )
( resid 16 and name HA )
6.0 0.1 0.1 peak 1564 weight 1.1 volume 31.19800 ppm1 3.97500 ppm2 4.88800
ASSI ( resid 18 and name HA )
( resid 19 and name HA )
6.0 0.1 0.1 peak 1565 weight 1.1 volume 67.60520 ppm1 4.07700 ppm2 4.71500
ASSI ( resid 42 and name HA )
( resid 41 and name HB )
6.0 0.1 0.1 peak 1566 weight 1.1 volume 38.40940 ppm1 4.08300 ppm2 4.64700
ASSI ( attr store1 < 4.032 and attr store1 > 3.992 )
( attr store1 < 4.713 and attr store1 > 4.633 )
6.0 0.1 0.1 peak 1567 volume 30.89780 ppm1 4.01200 ppm2 4.67300
ASSI ( resid 64 and name HB2 )
( resid 64 and name HA )
6.0 0.1 0.1 peak 1568 weight 1.1 volume 985.94592 ppm1 4.01500 ppm2 4.55800
OR ( resid 64 and name HB1 )
( resid 64 and name HA )
ASSI ( resid 58 and name HA )
( resid 55 and name HA )
6.0 0.1 0.1 peak 1569 weight 1.1 volume 121.69210 ppm1 4.14600 ppm2 4.45700
ASSI ( attr store1 < 4.178 and attr store1 > 4.138 )
( attr store1 < 4.538 and attr store1 > 4.458 )
6.0 0.1 0.1 peak 1570 volume 79.85800 ppm1 4.15800 ppm2 4.49800
ASSI ( resid 44 and name HA )
( resid 43 and name HA )
6.0 0.1 0.1 peak 1571 weight 1.1 volume 82.53750 ppm1 3.95100 ppm2 4.36400
ASSI ( resid 24 and name HB )
( resid 24 and name HA )
6.0 0.1 0.1 peak 1572 weight 1.1 volume 556.07037 ppm1 4.01500 ppm2 4.35200
ASSI ( resid 42 and name HA )
( resid 43 and name HA )
6.0 0.1 0.1 peak 1573 weight 1.1 volume 117.33290 ppm1 4.07600 ppm2 4.36000
ASSI ( attr store1 < 4.183 and attr store1 > 4.143 )
( attr store1 < 3.662 and attr store1 > 3.582 )
6.0 0.1 0.1 peak 1574 volume 23.82710 ppm1 4.16300 ppm2 3.62200
ASSI ( resid 51 and name HD1 )
( resid 51 and name HD2 )
6.0 0.1 0.1 peak 1575 weight 1.1 volume 519.04779 ppm1 4.03500 ppm2 3.50300
ASSI ( resid 13 and name HA )
( resid 13 and name HD1 )
6.0 0.1 0.1 peak 1576 weight 1.1 volume 61.70660 ppm1 4.16100 ppm2 3.05200
OR ( resid 13 and name HA )
( resid 13 and name HD2 )
ASSI ( resid 51 and name HD1 )
( resid 50 and name HB1 )
6.0 0.1 0.1 peak 1577 weight 1.1 volume 386.22760 ppm1 4.03500 ppm2 3.12600
ASSI ( resid 58 and name HA )
( resid 58 and name HB2 )
6.0 0.1 0.1 peak 1578 weight 1.1 volume 1054.28394 ppm1 4.13900 ppm2 3.16500
OR ( resid 58 and name HA )
( resid 58 and name HB1 )
ASSI ( attr store1 < 4.097 and attr store1 > 4.057 )
( attr store1 < 2.969 and attr store1 > 2.889 )
6.0 0.1 0.1 peak 1579 volume 25.77560 ppm1 4.07700 ppm2 2.92900
ASSI ( resid 51 and name HD1 )
( resid 50 and name HB2 )
6.0 0.1 0.1 peak 1580 weight 1.1 volume 38.60200 ppm1 4.03900 ppm2 2.73400
OR ( resid 51 and name HD1 )
( resid 35 and name HB2 )
OR ( resid 51 and name HD1 )
( resid 35 and name HB1 )
ASSI ( resid 13 and name HA )
( resid 14 and name HA )
6.0 0.1 0.1 peak 1581 weight 1.1 volume 51.41940 ppm1 4.16300 ppm2 2.38900
ASSI ( attr store1 < 4.098 and attr store1 > 4.058 )
( attr store1 < 2.226 and attr store1 > 2.146 )
6.0 0.1 0.1 peak 1582 volume 37.72680 ppm1 4.07800 ppm2 2.18600
ASSI ( resid 67 and name HA )
( resid 67 and name HB )
6.0 0.1 0.1 peak 1583 weight 1.1 volume 240.94330 ppm1 4.09500 ppm2 2.07000
ASSI ( resid 42 and name HA )
( resid 42 and name HB1 )
6.0 0.1 0.1 peak 1584 weight 1.1 volume 587.84808 ppm1 4.08100 ppm2 1.97800
ASSI ( resid 58 and name HA )
( resid 61 and name HB1 )
6.0 0.1 0.1 peak 1585 weight 1.1 volume 157.73050 ppm1 4.13700 ppm2 1.79100
ASSI ( resid 42 and name HA )
( resid 42 and name HB2 )
6.0 0.1 0.1 peak 1586 weight 1.1 volume 468.97849 ppm1 4.08200 ppm2 1.86200
ASSI ( resid 58 and name HA )
( resid 61 and name HB2 )
6.0 0.1 0.1 peak 1587 weight 1.1 volume 185.89090 ppm1 4.13800 ppm2 1.84100
ASSI ( resid 24 and name HB )
( resid 38 and name HB )
6.0 0.1 0.1 peak 1588 weight 1.1 volume 457.55701 ppm1 4.01500 ppm2 1.77700
ASSI ( resid 18 and name HA )
( resid 18 and name HB2 )
6.0 0.1 0.1 peak 1589 weight 1.1 volume 837.84253 ppm1 4.07500 ppm2 1.66600
OR ( resid 18 and name HA )
( resid 68 and name HD1 )
OR ( resid 18 and name HA )
( resid 68 and name HD2 )
ASSI ( resid 13 and name HA )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 1590 weight 1.1 volume 639.83698 ppm1 4.16400 ppm2 1.58700
OR ( resid 13 and name HA )
( resid 13 and name HB2 )
ASSI ( resid 13 and name HA )
( resid 13 and name HG1 )
6.0 0.1 0.1 peak 1591 weight 1.1 volume 632.66553 ppm1 4.16300 ppm2 1.50200
OR ( resid 13 and name HA )
( resid 13 and name HG2 )
ASSI ( resid 1 and name HA )
( resid 1 and name HB1 )
6.0 0.1 0.1 peak 1592 weight 1.1 volume 441.17599 ppm1 4.09300 ppm2 1.49400
ASSI ( resid 18 and name HA )
( resid 18 and name HD2 )
6.0 0.1 0.1 peak 1593 weight 1.1 volume 296.26370 ppm1 4.07800 ppm2 1.42000
OR ( resid 18 and name HA )
( resid 18 and name HD1 )
ASSI ( attr store1 < 4.045 and attr store1 > 4.005 )
( attr store1 < 1.398 and attr store1 > 1.318 )
6.0 0.1 0.1 peak 1594 volume 171.36160 ppm1 4.02500 ppm2 1.35800
ASSI ( attr store1 < 4.105 and attr store1 > 4.065 )
( attr store1 < 1.343 and attr store1 > 1.263 )
6.0 0.1 0.1 peak 1595 volume 31.78560 ppm1 4.08500 ppm2 1.30300
ASSI ( attr store1 < 4.217 and attr store1 > 4.177 )
( attr store1 < 1.362 and attr store1 > 1.282 )
6.0 0.1 0.1 peak 1596 volume 24.74440 ppm1 4.19700 ppm2 1.32200
ASSI ( attr store1 < 4.17 and attr store1 > 4.13 )
( attr store1 < 1.274 and attr store1 > 1.194 )
6.0 0.1 0.1 peak 1597 volume 38.89590 ppm1 4.15000 ppm2 1.23400
ASSI ( resid 13 and name HA )
( resid 14 and name HB )
6.0 0.1 0.1 peak 1598 weight 1.1 volume 208.47760 ppm1 4.16300 ppm2 1.10700
ASSI ( attr store1 < 4.095 and attr store1 > 4.055 )
( attr store1 < 1.207 and attr store1 > 1.127 )
6.0 0.1 0.1 peak 1599 volume 46.55810 ppm1 4.07500 ppm2 1.16700
ASSI ( resid 24 and name HB )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 1600 weight 1.1 volume 596.80151 ppm1 4.01500 ppm2 1.18600
ASSI ( attr store1 < 3.774 and attr store1 > 3.734 )
( attr store1 < 0.79 and attr store1 > 0.71 )
6.0 0.1 0.1 peak 1601 volume 15.29380 ppm1 3.75400 ppm2 0.75000
ASSI ( resid 24 and name HB )
( resid 38 and name HG11 )
6.0 0.1 0.1 peak 1602 weight 1.1 volume 24.61530 ppm1 4.00700 ppm2 1.03900
OR ( resid 24 and name HB )
( resid 38 and name HG12 )
ASSI ( resid 17 and name HA )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1603 weight 1.1 volume 61.86480 ppm1 3.97700 ppm2 1.04900
ASSI ( resid 28 and name HA )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 1604 weight 1.1 volume 953.83618 ppm1 3.85500 ppm2 1.08900
ASSI ( resid 51 and name HA )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 1605 weight 1.1 volume 24.59590 ppm1 3.83600 ppm2 1.24000
ASSI ( resid 52 and name HA )
( resid 52 and name HG2 )
6.0 0.1 0.1 peak 1606 weight 1.1 volume 441.30829 ppm1 3.95500 ppm2 1.24400
ASSI ( resid 44 and name HA )
( resid 44 and name HG2 )
6.0 0.1 0.1 peak 1607 weight 1.1 volume 499.20599 ppm1 3.95500 ppm2 1.30000
OR ( resid 44 and name HA )
( resid 44 and name HG1 )
ASSI ( resid 52 and name HA )
( resid 52 and name HB1 )
6.0 0.1 0.1 peak 1608 weight 1.1 volume 280.76331 ppm1 3.95500 ppm2 1.47500
OR ( resid 52 and name HA )
( resid 52 and name HB2 )
ASSI ( resid 61 and name HA )
( resid 61 and name HG2 )
6.0 0.1 0.1 peak 1609 weight 1.1 volume 259.49359 ppm1 3.86500 ppm2 1.48700
ASSI ( resid 62 and name HA )
( resid 62 and name HG )
6.0 0.1 0.1 peak 1610 weight 1.1 volume 324.49329 ppm1 3.92800 ppm2 1.45900
ASSI ( resid 62 and name HA )
( resid 62 and name HB2 )
6.0 0.1 0.1 peak 1611 weight 1.1 volume 962.53552 ppm1 3.92200 ppm2 1.58400
OR ( resid 62 and name HA )
( resid 62 and name HB1 )
ASSI ( resid 51 and name HA )
( resid 51 and name HG2 )
6.0 0.1 0.1 peak 1612 weight 1.1 volume 132.20930 ppm1 3.83700 ppm2 1.58000
ASSI ( resid 61 and name HA )
( resid 61 and name HG1 )
6.0 0.1 0.1 peak 1613 weight 1.1 volume 263.18259 ppm1 3.87300 ppm2 1.66300
ASSI ( resid 52 and name HA )
( resid 51 and name HB2 )
6.0 0.1 0.1 peak 1614 weight 1.1 volume 571.33789 ppm1 3.95600 ppm2 1.78700
ASSI ( resid 51 and name HA )
( resid 51 and name HB2 )
6.0 0.1 0.1 peak 1615 weight 1.1 volume 416.23730 ppm1 3.83800 ppm2 1.78100
ASSI ( resid 61 and name HA )
( resid 61 and name HB2 )
6.0 0.1 0.1 peak 1616 weight 1.1 volume 540.64618 ppm1 3.87100 ppm2 1.81600
OR ( resid 61 and name HA )
( resid 61 and name HB1 )
ASSI ( resid 17 and name HA )
( resid 20 and name HB )
6.0 0.1 0.1 peak 1617 weight 1.1 volume 418.85101 ppm1 3.97600 ppm2 1.91900
OR ( resid 17 and name HA )
( resid 17 and name HG2 )
OR ( resid 17 and name HA )
( resid 17 and name HG1 )
ASSI ( resid 44 and name HA )
( resid 44 and name HB1 )
6.0 0.1 0.1 peak 1618 weight 1.1 volume 447.46841 ppm1 3.95400 ppm2 1.96400
ASSI ( resid 17 and name HD2 )
( resid 17 and name HG2 )
6.0 0.1 0.1 peak 1619 weight 1.1 volume 506.10181 ppm1 3.84500 ppm2 1.92100
OR ( resid 17 and name HD2 )
( resid 17 and name HG1 )
OR ( resid 17 and name HD1 )
( resid 17 and name HG2 )
OR ( resid 17 and name HD1 )
( resid 17 and name HG1 )
ASSI ( resid 17 and name HA )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 1620 weight 1.1 volume 372.84131 ppm1 3.97600 ppm2 2.04100
ASSI ( resid 44 and name HA )
( resid 44 and name HB2 )
6.0 0.1 0.1 peak 1621 weight 1.1 volume 282.60529 ppm1 3.95000 ppm2 2.09600
ASSI ( resid 17 and name HD2 )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 1622 weight 1.1 volume 443.51889 ppm1 3.84400 ppm2 2.18500
OR ( resid 17 and name HD1 )
( resid 17 and name HB1 )
ASSI ( resid 28 and name HA )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 1623 weight 1.1 volume 19.18590 ppm1 3.84700 ppm2 2.56900
ASSI ( attr store1 < 3.864 and attr store1 > 3.824 )
( attr store1 < 2.773 and attr store1 > 2.693 )
6.0 0.1 0.1 peak 1624 volume 20.81170 ppm1 3.84400 ppm2 2.73300
ASSI ( resid 52 and name HA )
( resid 57 and name HE1 )
6.0 0.1 0.1 peak 1625 weight 1.1 volume 177.06059 ppm1 3.95500 ppm2 2.80400
OR ( resid 52 and name HA )
( resid 57 and name HE2 )
ASSI ( resid 17 and name HD2 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 1626 weight 1.1 volume 145.95100 ppm1 3.84700 ppm2 2.92700
OR ( resid 17 and name HD1 )
( resid 16 and name HB1 )
ASSI ( resid 61 and name HA )
( resid 61 and name HD2 )
6.0 0.1 0.1 peak 1627 weight 1.1 volume 86.78030 ppm1 3.87200 ppm2 3.13500
OR ( resid 61 and name HA )
( resid 61 and name HD1 )
ASSI ( resid 17 and name HD2 )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 1628 weight 1.1 volume 196.82790 ppm1 3.84400 ppm2 3.25700
OR ( resid 17 and name HD1 )
( resid 16 and name HB2 )
ASSI ( resid 62 and name HA )
( resid 59 and name HA )
6.0 0.1 0.1 peak 1629 weight 1.1 volume 51.44710 ppm1 3.92200 ppm2 3.44500
ASSI ( resid 51 and name HA )
( resid 51 and name HD2 )
6.0 0.1 0.1 peak 1630 weight 1.1 volume 45.70640 ppm1 3.83800 ppm2 3.51400
ASSI ( resid 61 and name HA )
( resid 58 and name HA )
6.0 0.1 0.1 peak 1631 weight 1.1 volume 24.67880 ppm1 3.87000 ppm2 4.14000
ASSI ( attr store1 < 4.034 and attr store1 > 3.994 )
( attr store1 < 4.296 and attr store1 > 4.216 )
6.0 0.1 0.1 peak 1632 volume 123.95320 ppm1 4.01400 ppm2 4.25600
ASSI ( resid 17 and name HA )
( resid 20 and name HA )
6.0 0.1 0.1 peak 1633 weight 1.1 volume 103.95410 ppm1 3.97800 ppm2 4.25200
ASSI ( attr store1 < 3.944 and attr store1 > 3.904 )
( attr store1 < 4.281 and attr store1 > 4.201 )
6.0 0.1 0.1 peak 1634 volume 120.84560 ppm1 3.92400 ppm2 4.24100
ASSI ( attr store1 < 3.889 and attr store1 > 3.849 )
( attr store1 < 4.256 and attr store1 > 4.176 )
6.0 0.1 0.1 peak 1635 volume 69.23970 ppm1 3.86900 ppm2 4.21600
ASSI ( resid 2 and name HB1 )
( resid 2 and name HA )
6.0 0.1 0.1 peak 1636 weight 1.1 volume 185.73270 ppm1 3.75700 ppm2 4.46500
OR ( resid 2 and name HB2 )
( resid 2 and name HA )
ASSI ( resid 61 and name HA )
( resid 64 and name HA )
6.0 0.1 0.1 peak 1637 weight 1.1 volume 194.04401 ppm1 3.85700 ppm2 4.55600
OR ( resid 61 and name HA )
( resid 29 and name HA )
OR ( resid 28 and name HA )
( resid 64 and name HA )
OR ( resid 28 and name HA )
( resid 29 and name HA )
ASSI ( resid 28 and name HA )
( resid 33 and name HA )
6.0 0.1 0.1 peak 1638 weight 1.1 volume 91.84970 ppm1 3.85100 ppm2 4.63100
ASSI ( resid 28 and name HA )
( resid 34 and name HA )
6.0 0.1 0.1 peak 1639 weight 1.1 volume 28.24650 ppm1 3.85200 ppm2 4.68900
ASSI ( resid 17 and name HD1 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 1640 weight 1.1 volume 960.10071 ppm1 3.84600 ppm2 4.89000
OR ( resid 17 and name HD2 )
( resid 16 and name HA )
ASSI ( resid 2 and name HB2 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 1641 weight 1.1 volume 13.32740 ppm1 3.75800 ppm2 4.98400
OR ( resid 2 and name HB1 )
( resid 32 and name HA )
ASSI ( resid 28 and name HA )
( resid 35 and name HA )
6.0 0.1 0.1 peak 1642 weight 1.1 volume 22.03080 ppm1 3.85600 ppm2 5.19300
ASSI ( attr store1 < 3.64 and attr store1 > 3.6 )
( attr store1 < 5.82 and attr store1 > 5.74 )
6.0 0.1 0.1 peak 1643 volume 66.09430 ppm1 3.62000 ppm2 5.78000
ASSI ( attr store1 < 3.601 and attr store1 > 3.561 )
( attr store1 < 5.591 and attr store1 > 5.511 )
6.0 0.1 0.1 peak 1644 volume 24.10080 ppm1 3.58100 ppm2 5.55100
ASSI ( resid 40 and name HB2 )
( resid 40 and name HA )
6.0 0.1 0.1 peak 1645 weight 1.1 volume 353.88870 ppm1 3.32500 ppm2 5.55200
ASSI ( resid 46 and name HB2 )
( resid 46 and name HA )
6.0 0.1 0.1 peak 1646 weight 1.1 volume 326.52469 ppm1 3.57300 ppm2 5.46600
ASSI ( resid 46 and name HB1 )
( resid 46 and name HA )
6.0 0.1 0.1 peak 1647 weight 1.1 volume 250.34801 ppm1 3.69400 ppm2 5.46600
ASSI ( attr store1 < 3.604 and attr store1 > 3.564 )
( attr store1 < 5.82 and attr store1 > 5.74 )
6.0 0.1 0.1 peak 1648 volume 38.80400 ppm1 3.58400 ppm2 5.78000
ASSI ( resid 48 and name HB1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 1649 weight 1.1 volume 102.06310 ppm1 3.51100 ppm2 4.92500
ASSI ( resid 48 and name HB1 )
( resid 48 and name HA )
6.0 0.1 0.1 peak 1650 weight 1.1 volume 182.22240 ppm1 3.51200 ppm2 4.82600
ASSI ( resid 19 and name HB2 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 1651 weight 1.1 volume 362.00562 ppm1 3.58200 ppm2 4.71700
ASSI ( resid 46 and name HB2 )
( resid 45 and name HA )
6.0 0.1 0.1 peak 1652 weight 1.1 volume 24.58390 ppm1 3.57400 ppm2 4.63800
ASSI ( resid 25 and name HD1 )
( resid 25 and name HA )
6.0 0.1 0.1 peak 1653 weight 1.1 volume 36.37050 ppm1 3.20900 ppm2 4.66400
OR ( resid 25 and name HD2 )
( resid 25 and name HA )
ASSI ( resid 48 and name HB2 )
( resid 48 and name HA )
6.0 0.1 0.1 peak 1654 weight 1.1 volume 235.24339 ppm1 3.10800 ppm2 4.82700
ASSI ( resid 48 and name HB2 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 1655 weight 1.1 volume 111.97270 ppm1 3.10800 ppm2 4.92100
ASSI ( attr store1 < 3.139 and attr store1 > 3.099 )
( attr store1 < 5.09 and attr store1 > 5.01 )
6.0 0.1 0.1 peak 1656 volume 37.89410 ppm1 3.11900 ppm2 5.05000
ASSI ( resid 16 and name HB2 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 1657 weight 1.1 volume 332.75940 ppm1 3.25500 ppm2 4.89200
ASSI ( resid 10 and name HB1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 1658 weight 1.1 volume 197.13730 ppm1 3.35700 ppm2 4.92200
ASSI ( resid 32 and name HB1 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 1659 weight 1.1 volume 386.00800 ppm1 3.39400 ppm2 4.98200
ASSI ( resid 10 and name HB1 )
( resid 49 and name HA )
6.0 0.1 0.1 peak 1660 weight 1.1 volume 83.92410 ppm1 3.35700 ppm2 5.05500
ASSI ( resid 54 and name HB )
( resid 55 and name HA )
6.0 0.1 0.1 peak 1661 weight 1.1 volume 62.29260 ppm1 3.62000 ppm2 4.46600
ASSI ( resid 55 and name HB1 )
( resid 55 and name HA )
6.0 0.1 0.1 peak 1662 weight 1.1 volume 455.48029 ppm1 3.55900 ppm2 4.46500
ASSI ( resid 55 and name HB2 )
( resid 55 and name HA )
6.0 0.1 0.1 peak 1663 weight 1.1 volume 753.21039 ppm1 3.15500 ppm2 4.46200
ASSI ( resid 19 and name HB1 )
( resid 19 and name HA )
6.0 0.1 0.1 peak 1664 weight 1.1 volume 414.42041 ppm1 3.03900 ppm2 4.71700
ASSI ( resid 4 and name HB2 )
( resid 4 and name HA )
6.0 0.1 0.1 peak 1665 weight 1.1 volume 459.03000 ppm1 3.07900 ppm2 4.50800
ASSI ( resid 29 and name HB1 )
( resid 29 and name HA )
6.0 0.1 0.1 peak 1666 weight 1.1 volume 665.28979 ppm1 3.01800 ppm2 4.55800
ASSI ( resid 4 and name HB1 )
( resid 4 and name HA )
6.0 0.1 0.1 peak 1667 weight 1.1 volume 354.62830 ppm1 2.96300 ppm2 4.50400
ASSI ( resid 29 and name HB2 )
( resid 29 and name HA )
6.0 0.1 0.1 peak 1668 weight 1.1 volume 766.17450 ppm1 2.89800 ppm2 4.55600
ASSI ( attr store1 < 2.998 and attr store1 > 2.958 )
( attr store1 < 4.7 and attr store1 > 4.62 )
6.0 0.1 0.1 peak 1669 volume 34.95830 ppm1 2.97800 ppm2 4.66000
ASSI ( resid 48 and name HB2 )
( resid 47 and name HA )
6.0 0.1 0.1 peak 1670 weight 1.1 volume 40.71350 ppm1 3.10600 ppm2 4.35400
ASSI ( resid 54 and name HB )
( resid 54 and name HA )
6.0 0.1 0.1 peak 1671 weight 1.1 volume 374.96671 ppm1 3.62300 ppm2 4.28600
ASSI ( resid 31 and name HA1 )
( resid 31 and name HA2 )
6.0 0.1 0.1 peak 1672 weight 1.1 volume 1558.66492 ppm1 3.52000 ppm2 4.25900
ASSI ( resid 48 and name HB1 )
( resid 47 and name HA )
6.0 0.1 0.1 peak 1673 weight 1.1 volume 95.34750 ppm1 3.51300 ppm2 4.35700
ASSI ( resid 54 and name HB )
( resid 53 and name HA )
6.0 0.1 0.1 peak 1674 weight 1.1 volume 92.07880 ppm1 3.62300 ppm2 4.22800
ASSI ( resid 54 and name HB )
( resid 58 and name HA )
6.0 0.1 0.1 peak 1675 weight 1.1 volume 45.87490 ppm1 3.61800 ppm2 4.15100
ASSI ( resid 57 and name HA )
( resid 58 and name HA )
6.0 0.1 0.1 peak 1676 weight 1.1 volume 15.16990 ppm1 3.58700 ppm2 4.14100
ASSI ( resid 51 and name HD2 )
( resid 51 and name HD1 )
6.0 0.1 0.1 peak 1677 weight 1.1 volume 521.98999 ppm1 3.50100 ppm2 4.03700
ASSI ( resid 58 and name HB1 )
( resid 58 and name HA )
6.0 0.1 0.1 peak 1678 weight 1.1 volume 828.75568 ppm1 3.16100 ppm2 4.14200
OR ( resid 58 and name HB2 )
( resid 58 and name HA )
ASSI ( resid 13 and name HD1 )
( resid 13 and name HA )
6.0 0.1 0.1 peak 1679 weight 1.1 volume 62.67960 ppm1 3.05500 ppm2 4.16100
OR ( resid 13 and name HD2 )
( resid 13 and name HA )
ASSI ( resid 50 and name HB1 )
( resid 51 and name HD1 )
6.0 0.1 0.1 peak 1680 weight 1.1 volume 481.65750 ppm1 3.12600 ppm2 4.03400
ASSI ( resid 51 and name HD2 )
( resid 51 and name HA )
6.0 0.1 0.1 peak 1681 weight 1.1 volume 53.90770 ppm1 3.50000 ppm2 3.83400
ASSI ( resid 59 and name HA )
( resid 62 and name HA )
6.0 0.1 0.1 peak 1682 weight 1.1 volume 63.93270 ppm1 3.44400 ppm2 3.91800
ASSI ( resid 16 and name HB2 )
( resid 17 and name HD2 )
6.0 0.1 0.1 peak 1683 weight 1.1 volume 296.81451 ppm1 3.25400 ppm2 3.84900
OR ( resid 16 and name HB2 )
( resid 17 and name HD1 )
ASSI ( resid 61 and name HD2 )
( resid 61 and name HA )
6.0 0.1 0.1 peak 1684 weight 1.1 volume 131.90800 ppm1 3.13200 ppm2 3.87400
OR ( resid 61 and name HD1 )
( resid 61 and name HA )
ASSI ( resid 46 and name HB2 )
( resid 46 and name HB1 )
6.0 0.1 0.1 peak 1685 weight 1.1 volume 897.25989 ppm1 3.57400 ppm2 3.69600
ASSI ( resid 46 and name HB1 )
( resid 46 and name HB2 )
6.0 0.1 0.1 peak 1686 weight 1.1 volume 826.10638 ppm1 3.69300 ppm2 3.57500
ASSI ( resid 9 and name HA1 )
( resid 9 and name HA2 )
6.0 0.1 0.1 peak 1687 weight 1.1 volume 1608.66296 ppm1 3.24600 ppm2 3.62600
ASSI ( resid 55 and name HB2 )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 1688 weight 1.1 volume 1026.02649 ppm1 3.15700 ppm2 3.56200
ASSI ( resid 19 and name HB1 )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 1689 weight 1.1 volume 1319.06262 ppm1 3.04000 ppm2 3.58400
ASSI ( attr store1 < 2.942 and attr store1 > 2.902 )
( attr store1 < 3.624 and attr store1 > 3.544 )
6.0 0.1 0.1 peak 1690 volume 83.77390 ppm1 2.92200 ppm2 3.58400
ASSI ( resid 48 and name HB2 )
( resid 48 and name HB1 )
6.0 0.1 0.1 peak 1691 weight 1.1 volume 1121.71289 ppm1 3.10700 ppm2 3.50900
ASSI ( resid 57 and name HE1 )
( resid 54 and name HA )
6.0 0.1 0.1 peak 1692 weight 1.1 volume 202.60550 ppm1 2.79700 ppm2 3.62300
OR ( resid 57 and name HE2 )
( resid 54 and name HA )
ASSI ( resid 19 and name HB2 )
( resid 19 and name HB1 )
6.0 0.1 0.1 peak 1693 weight 1.1 volume 999.14941 ppm1 3.58100 ppm2 3.04200
ASSI ( resid 48 and name HB1 )
( resid 48 and name HB2 )
6.0 0.1 0.1 peak 1694 weight 1.1 volume 821.93707 ppm1 3.50200 ppm2 3.11400
ASSI ( resid 55 and name HB1 )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 1695 weight 1.1 volume 785.93079 ppm1 3.56100 ppm2 3.15800
OR ( resid 55 and name HB1 )
( resid 58 and name HB1 )
ASSI ( resid 9 and name HA2 )
( resid 9 and name HA1 )
6.0 0.1 0.1 peak 1696 weight 1.1 volume 1092.84570 ppm1 3.62800 ppm2 3.25100
ASSI ( resid 9 and name HA2 )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 1697 weight 1.1 volume 96.46290 ppm1 3.62000 ppm2 2.79900
ASSI ( resid 48 and name HB1 )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 1698 weight 1.1 volume 101.63900 ppm1 3.50700 ppm2 2.84500
ASSI ( resid 32 and name HB1 )
( resid 6 and name HB2 )
6.0 0.1 0.1 peak 1699 weight 1.1 volume 112.02660 ppm1 3.39400 ppm2 2.70900
ASSI ( resid 51 and name HD2 )
( resid 50 and name HB2 )
6.0 0.1 0.1 peak 1700 weight 1.1 volume 94.26900 ppm1 3.50000 ppm2 2.72700
ASSI ( resid 10 and name HB1 )
( resid 10 and name HB2 )
6.0 0.1 0.1 peak 1701 weight 1.1 volume 501.43530 ppm1 3.35700 ppm2 2.80700
ASSI ( resid 32 and name HB1 )
( resid 6 and name HB1 )
6.0 0.1 0.1 peak 1702 weight 1.1 volume 96.22160 ppm1 3.40500 ppm2 2.86100
ASSI ( resid 40 and name HB2 )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 1703 weight 1.1 volume 886.67151 ppm1 3.32500 ppm2 2.86700
ASSI ( resid 16 and name HB2 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 1704 weight 1.1 volume 862.80182 ppm1 3.25600 ppm2 2.94200
ASSI ( resid 48 and name HB2 )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 1705 weight 1.1 volume 183.84090 ppm1 3.11000 ppm2 2.84400
ASSI ( resid 50 and name HB1 )
( resid 50 and name HB2 )
6.0 0.1 0.1 peak 1706 weight 1.1 volume 295.81201 ppm1 3.11300 ppm2 2.72800
ASSI ( resid 32 and name HB1 )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 1707 weight 1.1 volume 807.30933 ppm1 3.39500 ppm2 2.56900
ASSI ( resid 39 and name HB1 )
( resid 47 and name HB )
6.0 0.1 0.1 peak 1708 weight 1.1 volume 103.15160 ppm1 3.01400 ppm2 2.02800
ASSI ( resid 59 and name HA )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 1709 weight 1.1 volume 232.70580 ppm1 3.44300 ppm2 2.21600
ASSI ( resid 55 and name HB2 )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 1710 weight 1.1 volume 40.68050 ppm1 3.16100 ppm2 2.21400
ASSI ( attr store1 < 3.41 and attr store1 > 3.37 )
( attr store1 < 2.276 and attr store1 > 2.196 )
6.0 0.1 0.1 peak 1711 volume 61.77330 ppm1 3.39000 ppm2 2.23600
ASSI ( resid 51 and name HD2 )
( resid 51 and name HB2 )
6.0 0.1 0.1 peak 1712 weight 1.1 volume 37.41640 ppm1 3.50300 ppm2 2.07700
ASSI ( resid 59 and name HA )
( resid 59 and name HB )
6.0 0.1 0.1 peak 1713 weight 1.1 volume 184.01460 ppm1 3.44300 ppm2 1.83800
ASSI ( resid 51 and name HD2 )
( resid 51 and name HG1 )
6.0 0.1 0.1 peak 1714 weight 1.1 volume 191.84520 ppm1 3.50300 ppm2 1.71400
ASSI ( resid 51 and name HD2 )
( resid 51 and name HB2 )
6.0 0.1 0.1 peak 1715 weight 1.1 volume 97.02870 ppm1 3.50300 ppm2 1.77700
ASSI ( resid 57 and name HA )
( resid 57 and name HB1 )
6.0 0.1 0.1 peak 1716 weight 1.1 volume 563.32751 ppm1 3.58700 ppm2 1.71900
OR ( resid 57 and name HA )
( resid 57 and name HB2 )
ASSI ( resid 54 and name HA )
( resid 57 and name HB2 )
6.0 0.1 0.1 peak 1717 weight 1.1 volume 604.95239 ppm1 3.62000 ppm2 1.71500
OR ( resid 54 and name HA )
( resid 57 and name HB1 )
ASSI ( resid 61 and name HD2 )
( resid 61 and name HB2 )
6.0 0.1 0.1 peak 1718 weight 1.1 volume 274.96429 ppm1 3.13400 ppm2 1.85000
OR ( resid 61 and name HD1 )
( resid 61 and name HB2 )
ASSI ( resid 61 and name HD1 )
( resid 61 and name HB1 )
6.0 0.1 0.1 peak 1719 weight 1.1 volume 276.72061 ppm1 3.13300 ppm2 1.78400
OR ( resid 61 and name HD2 )
( resid 61 and name HB1 )
ASSI ( resid 25 and name HD1 )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 1720 weight 1.1 volume 1203.93848 ppm1 3.20600 ppm2 1.69500
OR ( resid 25 and name HD1 )
( resid 25 and name HB2 )
OR ( resid 25 and name HD2 )
( resid 25 and name HB1 )
OR ( resid 25 and name HD2 )
( resid 25 and name HB2 )
ASSI ( resid 61 and name HD2 )
( resid 61 and name HG1 )
6.0 0.1 0.1 peak 1721 weight 1.1 volume 837.02222 ppm1 3.12699 ppm2 1.68406
OR ( resid 61 and name HD2 )
( resid 57 and name HB1 )
OR ( resid 61 and name HD1 )
( resid 61 and name HG1 )
OR ( resid 61 and name HD1 )
( resid 57 and name HB1 )
ASSI ( resid 59 and name HA )
( resid 62 and name HB2 )
6.0 0.1 0.1 peak 1722 weight 1.1 volume 332.94431 ppm1 3.44300 ppm2 1.58500
OR ( resid 59 and name HA )
( resid 62 and name HB1 )
ASSI ( resid 51 and name HD2 )
( resid 51 and name HG2 )
6.0 0.1 0.1 peak 1723 weight 1.1 volume 111.38350 ppm1 3.49700 ppm2 1.58100
ASSI ( resid 59 and name HA )
( resid 62 and name HG )
6.0 0.1 0.1 peak 1724 weight 1.1 volume 60.45010 ppm1 3.44300 ppm2 1.46100
ASSI ( resid 39 and name HB1 )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 1725 weight 1.1 volume 126.16600 ppm1 3.01900 ppm2 1.16600
ASSI ( resid 50 and name HB1 )
( resid 51 and name HG2 )
6.0 0.1 0.1 peak 1726 weight 1.1 volume 117.00160 ppm1 3.12800 ppm2 1.57700
ASSI ( resid 13 and name HD1 )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 1727 weight 1.1 volume 266.91959 ppm1 3.06500 ppm2 1.57400
OR ( resid 13 and name HD1 )
( resid 13 and name HB2 )
OR ( resid 13 and name HD2 )
( resid 13 and name HB1 )
OR ( resid 13 and name HD2 )
( resid 13 and name HB2 )
ASSI ( resid 13 and name HD1 )
( resid 13 and name HG1 )
6.0 0.1 0.1 peak 1728 weight 1.1 volume 554.04852 ppm1 3.05600 ppm2 1.49000
OR ( resid 13 and name HD1 )
( resid 13 and name HG2 )
OR ( resid 13 and name HD2 )
( resid 13 and name HG1 )
OR ( resid 13 and name HD2 )
( resid 13 and name HG2 )
ASSI ( resid 61 and name HD1 )
( resid 61 and name HG2 )
6.0 0.1 0.1 peak 1729 weight 1.1 volume 577.04968 ppm1 3.12900 ppm2 1.48600
OR ( resid 61 and name HD2 )
( resid 61 and name HG2 )
ASSI ( resid 25 and name HD2 )
( resid 25 and name HG1 )
6.0 0.1 0.1 peak 1730 weight 1.1 volume 343.84790 ppm1 3.20500 ppm2 1.43200
OR ( resid 25 and name HD2 )
( resid 25 and name HG2 )
OR ( resid 25 and name HD1 )
( resid 25 and name HG1 )
OR ( resid 25 and name HD1 )
( resid 25 and name HG2 )
ASSI ( resid 57 and name HA )
( resid 57 and name HG1 )
6.0 0.1 0.1 peak 1731 weight 1.1 volume 302.00159 ppm1 3.58500 ppm2 1.45100
ASSI ( resid 54 and name HB )
( resid 57 and name HG1 )
6.0 0.1 0.1 peak 1732 weight 1.1 volume 316.46991 ppm1 3.62400 ppm2 1.45300
ASSI ( resid 54 and name HB )
( resid 57 and name HD2 )
6.0 0.1 0.1 peak 1733 weight 1.1 volume 71.46250 ppm1 3.62000 ppm2 1.52700
ASSI ( resid 48 and name HB1 )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 1734 weight 1.1 volume 89.55900 ppm1 3.50500 ppm2 1.35700
OR ( resid 48 and name HB1 )
( resid 52 and name HG1 )
OR ( resid 51 and name HD2 )
( resid 36 and name HB1 )
OR ( resid 51 and name HD2 )
( resid 52 and name HG1 )
ASSI ( resid 19 and name HB2 )
( resid 41 and name HG21 )
6.0 0.1 0.1 peak 1735 weight 1.1 volume 58.52940 ppm1 3.58200 ppm2 1.17100
ASSI ( resid 57 and name HA )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 1736 weight 1.1 volume 257.70660 ppm1 3.58300 ppm2 1.23200
ASSI ( resid 54 and name HA )
( resid 54 and name HG21 )
6.0 0.1 0.1 peak 1737 weight 1.1 volume 633.99042 ppm1 3.62400 ppm2 1.23500
OR ( resid 54 and name HA )
( resid 57 and name HG2 )
ASSI ( resid 48 and name HB2 )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 1738 weight 1.1 volume 138.06090 ppm1 3.10900 ppm2 1.35700
ASSI ( resid 61 and name HD1 )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 1739 weight 1.1 volume 140.72639 ppm1 3.15056 ppm2 1.23443
OR ( resid 61 and name HD1 )
( resid 54 and name HG21 )
OR ( resid 58 and name HB2 )
( resid 57 and name HG2 )
OR ( resid 58 and name HB2 )
( resid 54 and name HG21 )
ASSI ( resid 13 and name HD1 )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 1740 weight 1.1 volume 45.82640 ppm1 3.07200 ppm2 1.16600
ASSI ( resid 59 and name HA )
( resid 59 and name HG11 )
6.0 0.1 0.1 peak 1741 weight 1.1 volume 208.27029 ppm1 3.44200 ppm2 0.90900
ASSI ( resid 59 and name HA )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1742 weight 1.1 volume 389.04059 ppm1 3.44200 ppm2 0.71000
OR ( resid 59 and name HA )
( resid 62 and name HD11 )
OR ( resid 59 and name HA )
( resid 62 and name HD21 )
ASSI ( resid 59 and name HA )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1743 weight 1.1 volume 422.32309 ppm1 3.44200 ppm2 0.63300
ASSI ( resid 40 and name HB2 )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 1744 weight 1.1 volume 104.86300 ppm1 3.32600 ppm2 0.72200
ASSI ( resid 25 and name HD1 )
( resid 27 and name HD11 )
6.0 0.1 0.1 peak 1745 weight 1.1 volume 172.38029 ppm1 3.21300 ppm2 0.81400
OR ( resid 25 and name HD2 )
( resid 27 and name HD11 )
ASSI ( resid 55 and name HB2 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1746 weight 1.1 volume 39.25280 ppm1 3.15300 ppm2 0.70300
ASSI ( attr store1 < 3.057 and attr store1 > 3.017 )
( attr store1 < 0.771 and attr store1 > 0.691 )
6.0 0.1 0.1 peak 1747 volume 64.82520 ppm1 3.03700 ppm2 0.73100
ASSI ( resid 25 and name HD2 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1748 weight 1.1 volume 56.48070 ppm1 3.20000 ppm2 0.53100
OR ( resid 25 and name HD1 )
( resid 37 and name HD11 )
ASSI ( resid 46 and name HB1 )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1749 weight 1.1 volume 233.89371 ppm1 3.69300 ppm2 0.52300
ASSI ( resid 46 and name HB2 )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1750 weight 1.1 volume 372.47610 ppm1 3.57200 ppm2 0.52100
ASSI ( resid 57 and name HA )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 1751 weight 1.1 volume 160.31520 ppm1 3.58600 ppm2 0.34300
ASSI ( resid 57 and name HA )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 1752 weight 1.1 volume 220.10699 ppm1 3.58900 ppm2 0.28600
ASSI ( resid 9 and name HA2 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1753 weight 1.1 volume 88.08970 ppm1 3.62900 ppm2 0.17000
ASSI ( resid 55 and name HB1 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 1754 weight 1.1 volume 102.23060 ppm1 3.56000 ppm2 0.06500
ASSI ( resid 9 and name HA1 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1755 weight 1.1 volume 185.97009 ppm1 3.24800 ppm2 0.17200
ASSI ( resid 55 and name HB2 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 1756 weight 1.1 volume 110.03550 ppm1 3.15700 ppm2 0.06300
ASSI ( resid 56 and name HA )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1757 weight 1.1 volume 447.84689 ppm1 2.88300 ppm2 -0.56000
ASSI ( resid 60 and name HA )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1758 weight 1.1 volume 177.03520 ppm1 2.92500 ppm2 -0.38200
OR ( resid 23 and name HB1 )
( resid 37 and name HG21 )
ASSI ( resid 23 and name HB2 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1759 weight 1.1 volume 227.79250 ppm1 2.63100 ppm2 -0.38200
ASSI ( resid 39 and name HB1 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1760 weight 1.1 volume 136.55450 ppm1 3.01800 ppm2 0.35600
ASSI ( resid 60 and name HA )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 1761 weight 1.1 volume 704.77570 ppm1 2.92300 ppm2 0.28000
ASSI ( resid 60 and name HA )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 1762 weight 1.1 volume 743.62738 ppm1 2.92300 ppm2 0.34200
ASSI ( resid 6 and name HB1 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1763 weight 1.1 volume 77.88750 ppm1 2.84467 ppm2 0.17079
OR ( resid 7 and name HB1 )
( resid 34 and name HD11 )
ASSI ( resid 56 and name HA )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 1764 weight 1.1 volume 401.41690 ppm1 2.87300 ppm2 0.30900
ASSI ( resid 60 and name HA )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1765 weight 1.1 volume 22.76350 ppm1 2.92300 ppm2 0.53300
ASSI ( resid 56 and name HA )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1766 weight 1.1 volume 38.36530 ppm1 2.87400 ppm2 0.63500
ASSI ( resid 60 and name HA )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1767 weight 1.1 volume 117.12330 ppm1 2.92300 ppm2 0.63400
ASSI ( attr store1 < 2.961 and attr store1 > 2.921 )
( attr store1 < 0.759 and attr store1 > 0.679 )
6.0 0.1 0.1 peak 1768 volume 68.93470 ppm1 2.94100 ppm2 0.71900
ASSI ( resid 56 and name HA )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1769 weight 1.1 volume 199.57310 ppm1 2.88500 ppm2 0.72000
ASSI ( attr store1 < 2.865 and attr store1 > 2.825 )
( attr store1 < 0.773 and attr store1 > 0.693 )
6.0 0.1 0.1 peak 1770 volume 123.64960 ppm1 2.84500 ppm2 0.73300
ASSI ( attr store1 < 2.803 and attr store1 > 2.763 )
( attr store1 < 0.734 and attr store1 > 0.654 )
6.0 0.1 0.1 peak 1771 volume 43.28480 ppm1 2.78300 ppm2 0.69400
ASSI ( resid 33 and name HB2 )
( resid 34 and name HG21 )
6.0 0.1 0.1 peak 1772 weight 1.1 volume 290.72980 ppm1 2.73400 ppm2 0.68900
OR ( resid 33 and name HB1 )
( resid 34 and name HG21 )
ASSI ( attr store1 < 2.731 and attr store1 > 2.691 )
( attr store1 < 0.785 and attr store1 > 0.705 )
6.0 0.1 0.1 peak 1773 volume 147.59399 ppm1 2.71100 ppm2 0.74500
ASSI ( resid 6 and name HB2 )
( resid 34 and name HG11 )
6.0 0.1 0.1 peak 1774 weight 1.1 volume 340.05981 ppm1 2.72900 ppm2 0.83600
OR ( resid 6 and name HB2 )
( resid 18 and name HG2 )
OR ( resid 18 and name HE2 )
( resid 34 and name HG11 )
OR ( resid 18 and name HE2 )
( resid 18 and name HG2 )
OR ( resid 18 and name HE1 )
( resid 34 and name HG11 )
OR ( resid 18 and name HE1 )
( resid 18 and name HG2 )
ASSI ( resid 39 and name HB2 )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 1775 weight 1.1 volume 28.48460 ppm1 2.78900 ppm2 0.86200
ASSI ( attr store1 < 2.859 and attr store1 > 2.819 )
( attr store1 < 0.898 and attr store1 > 0.818 )
6.0 0.1 0.1 peak 1776 volume 79.26870 ppm1 2.83900 ppm2 0.85800
ASSI ( attr store1 < 2.943 and attr store1 > 2.903 )
( attr store1 < 0.935 and attr store1 > 0.855 )
6.0 0.1 0.1 peak 1777 volume 460.21509 ppm1 2.92300 ppm2 0.89500
ASSI ( resid 39 and name HB1 )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 1778 weight 1.1 volume 75.92480 ppm1 3.02000 ppm2 0.86200
ASSI ( resid 39 and name HB1 )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 1779 weight 1.1 volume 133.43880 ppm1 3.01900 ppm2 0.95600
OR ( resid 39 and name HB1 )
( resid 47 and name HG21 )
ASSI ( resid 39 and name HB2 )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 1780 weight 1.1 volume 63.06650 ppm1 2.79600 ppm2 0.95500
OR ( resid 39 and name HB2 )
( resid 20 and name HG12 )
ASSI ( resid 18 and name HE1 )
( resid 18 and name HG1 )
6.0 0.1 0.1 peak 1781 weight 1.1 volume 99.29670 ppm1 2.72900 ppm2 0.97300
OR ( resid 18 and name HE2 )
( resid 18 and name HG1 )
ASSI ( resid 39 and name HB1 )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1782 weight 1.1 volume 177.62131 ppm1 3.01700 ppm2 1.04800
ASSI ( attr store1 < 2.958 and attr store1 > 2.918 )
( attr store1 < 1.086 and attr store1 > 1.006 )
6.0 0.1 0.1 peak 1783 volume 64.22540 ppm1 2.93800 ppm2 1.04600
ASSI ( attr store1 < 2.888 and attr store1 > 2.848 )
( attr store1 < 1.084 and attr store1 > 1.004 )
6.0 0.1 0.1 peak 1784 volume 13.50900 ppm1 2.86800 ppm2 1.04400
ASSI ( resid 39 and name HB2 )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1785 weight 1.1 volume 87.16400 ppm1 2.79700 ppm2 1.04600
ASSI ( resid 35 and name HB1 )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 1786 weight 1.1 volume 150.66280 ppm1 2.73600 ppm2 1.08900
OR ( resid 35 and name HB2 )
( resid 28 and name HB1 )
ASSI ( resid 39 and name HB2 )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 1787 weight 1.1 volume 124.52530 ppm1 2.79100 ppm2 1.17000
ASSI ( resid 57 and name HE1 )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 1788 weight 1.1 volume 259.32761 ppm1 2.79000 ppm2 1.23400
OR ( resid 57 and name HE2 )
( resid 57 and name HG2 )
ASSI ( resid 56 and name HA )
( resid 49 and name HB1 )
6.0 0.1 0.1 peak 1789 weight 1.1 volume 66.88310 ppm1 2.88100 ppm2 1.23900
OR ( resid 56 and name HA )
( resid 57 and name HG2 )
ASSI ( resid 52 and name HE2 )
( resid 52 and name HG2 )
6.0 0.1 0.1 peak 1790 weight 1.1 volume 136.34441 ppm1 2.95200 ppm2 1.24700
OR ( resid 52 and name HE1 )
( resid 52 and name HG2 )
ASSI ( resid 44 and name HE2 )
( resid 44 and name HG2 )
6.0 0.1 0.1 peak 1791 weight 1.1 volume 269.58350 ppm1 2.95900 ppm2 1.30400
OR ( resid 44 and name HE2 )
( resid 44 and name HG1 )
OR ( resid 44 and name HE1 )
( resid 44 and name HG2 )
OR ( resid 44 and name HE1 )
( resid 44 and name HG1 )
ASSI ( attr store1 < 2.857 and attr store1 > 2.817 )
( attr store1 < 1.395 and attr store1 > 1.315 )
6.0 0.1 0.1 peak 1792 volume 183.89110 ppm1 2.83700 ppm2 1.35500
ASSI ( attr store1 < 2.742 and attr store1 > 2.702 )
( attr store1 < 1.395 and attr store1 > 1.315 )
6.0 0.1 0.1 peak 1793 volume 259.33069 ppm1 2.72200 ppm2 1.35500
ASSI ( attr store1 < 2.948 and attr store1 > 2.908 )
( attr store1 < 1.473 and attr store1 > 1.393 )
6.0 0.1 0.1 peak 1794 volume 166.44130 ppm1 2.92800 ppm2 1.43300
ASSI ( attr store1 < 2.942 and attr store1 > 2.902 )
( attr store1 < 1.521 and attr store1 > 1.441 )
6.0 0.1 0.1 peak 1795 volume 330.36551 ppm1 2.92200 ppm2 1.48100
ASSI ( resid 57 and name HE2 )
( resid 57 and name HG1 )
6.0 0.1 0.1 peak 1796 weight 1.1 volume 219.77870 ppm1 2.79600 ppm2 1.45900
OR ( resid 57 and name HE1 )
( resid 57 and name HG1 )
ASSI ( resid 18 and name HE2 )
( resid 18 and name HD1 )
6.0 0.1 0.1 peak 1797 weight 1.1 volume 376.94470 ppm1 2.71400 ppm2 1.42600
OR ( resid 18 and name HE2 )
( resid 18 and name HD2 )
OR ( resid 18 and name HE1 )
( resid 18 and name HD1 )
OR ( resid 18 and name HE1 )
( resid 18 and name HD2 )
ASSI ( resid 35 and name HB2 )
( resid 51 and name HG2 )
6.0 0.1 0.1 peak 1798 weight 1.1 volume 282.99780 ppm1 2.73100 ppm2 1.58200
OR ( resid 35 and name HB1 )
( resid 51 and name HG2 )
OR ( resid 50 and name HB2 )
( resid 51 and name HG2 )
ASSI ( resid 43 and name HE2 )
( resid 43 and name HB2 )
6.0 0.1 0.1 peak 1799 weight 1.1 volume 495.22241 ppm1 2.89000 ppm2 1.63500
OR ( resid 43 and name HE1 )
( resid 43 and name HB2 )
ASSI ( resid 52 and name HE1 )
( resid 52 and name HD2 )
6.0 0.1 0.1 peak 1800 weight 1.1 volume 1315.01367 ppm1 2.94200 ppm2 1.64300
OR ( resid 52 and name HE1 )
( resid 44 and name HD2 )
OR ( resid 52 and name HE1 )
( resid 44 and name HD1 )
OR ( resid 52 and name HE1 )
( resid 68 and name HD2 )
OR ( resid 52 and name HE1 )
( resid 66 and name HD2 )
OR ( resid 44 and name HE2 )
( resid 52 and name HD2 )
OR ( resid 44 and name HE2 )
( resid 44 and name HD2 )
OR ( resid 44 and name HE2 )
( resid 44 and name HD1 )
OR ( resid 44 and name HE2 )
( resid 68 and name HD2 )
OR ( resid 44 and name HE2 )
( resid 66 and name HD2 )
OR ( resid 44 and name HE1 )
( resid 52 and name HD2 )
OR ( resid 44 and name HE1 )
( resid 44 and name HD2 )
OR ( resid 44 and name HE1 )
( resid 44 and name HD1 )
OR ( resid 44 and name HE1 )
( resid 68 and name HD2 )
OR ( resid 44 and name HE1 )
( resid 66 and name HD2 )
OR ( resid 68 and name HE1 )
( resid 52 and name HD2 )
OR ( resid 68 and name HE1 )
( resid 44 and name HD2 )
OR ( resid 68 and name HE1 )
( resid 44 and name HD1 )
OR ( resid 68 and name HE1 )
( resid 68 and name HD2 )
OR ( resid 68 and name HE1 )
( resid 66 and name HD2 )
OR ( resid 66 and name HE1 )
( resid 52 and name HD2 )
OR ( resid 66 and name HE1 )
( resid 44 and name HD2 )
OR ( resid 66 and name HE1 )
( resid 44 and name HD1 )
OR ( resid 66 and name HE1 )
( resid 68 and name HD2 )
OR ( resid 66 and name HE1 )
( resid 66 and name HD2 )
ASSI ( resid 35 and name HB2 )
( resid 51 and name HG1 )
6.0 0.1 0.1 peak 1801 weight 1.1 volume 761.05487 ppm1 2.73600 ppm2 1.70600
OR ( resid 35 and name HB1 )
( resid 51 and name HG1 )
ASSI ( attr store1 < 2.824 and attr store1 > 2.784 )
( attr store1 < 1.742 and attr store1 > 1.662 )
6.0 0.1 0.1 peak 1802 volume 311.18961 ppm1 2.80400 ppm2 1.70200
ASSI ( resid 50 and name HB2 )
( resid 56 and name HB )
6.0 0.1 0.1 peak 1803 weight 1.1 volume 97.10910 ppm1 2.73400 ppm2 1.77700
OR ( resid 50 and name HB2 )
( resid 51 and name HB2 )
OR ( resid 35 and name HB2 )
( resid 56 and name HB )
OR ( resid 35 and name HB2 )
( resid 51 and name HB2 )
OR ( resid 35 and name HB1 )
( resid 56 and name HB )
OR ( resid 35 and name HB1 )
( resid 51 and name HB2 )
ASSI ( resid 60 and name HA )
( resid 60 and name HB )
6.0 0.1 0.1 peak 1804 weight 1.1 volume 644.99658 ppm1 2.92300 ppm2 1.73800
OR ( resid 60 and name HA )
( resid 63 and name HB2 )
ASSI ( resid 23 and name HB1 )
( resid 63 and name HB1 )
6.0 0.1 0.1 peak 1805 weight 1.1 volume 296.05679 ppm1 2.92300 ppm2 1.94100
OR ( resid 60 and name HA )
( resid 63 and name HB1 )
ASSI ( attr store1 < 2.9 and attr store1 > 2.86 )
( attr store1 < 1.87 and attr store1 > 1.79 )
6.0 0.1 0.1 peak 1806 volume 129.46831 ppm1 2.88000 ppm2 1.83000
ASSI ( attr store1 < 2.752 and attr store1 > 2.712 )
( attr store1 < 1.943 and attr store1 > 1.863 )
6.0 0.1 0.1 peak 1807 volume 122.09540 ppm1 2.73200 ppm2 1.90300
ASSI ( attr store1 < 2.943 and attr store1 > 2.903 )
( attr store1 < 1.893 and attr store1 > 1.813 )
6.0 0.1 0.1 peak 1808 volume 308.86691 ppm1 2.92300 ppm2 1.85300
ASSI ( resid 39 and name HB2 )
( resid 47 and name HB )
6.0 0.1 0.1 peak 1809 weight 1.1 volume 108.33420 ppm1 2.79000 ppm2 2.03000
ASSI ( attr store1 < 2.755 and attr store1 > 2.715 )
( attr store1 < 2.105 and attr store1 > 2.025 )
6.0 0.1 0.1 peak 1810 volume 39.85230 ppm1 2.73500 ppm2 2.06500
ASSI ( resid 56 and name HA )
( resid 59 and name HG12 )
6.0 0.1 0.1 peak 1811 weight 1.1 volume 86.02750 ppm1 2.88500 ppm2 2.21600
ASSI ( resid 50 and name HB2 )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 1812 weight 1.1 volume 124.25030 ppm1 2.72205 ppm2 2.21821
OR ( resid 50 and name HB1 )
( resid 53 and name HG2 )
ASSI ( resid 23 and name HB1 )
( resid 23 and name HB2 )
6.0 0.1 0.1 peak 1813 weight 1.1 volume 412.93091 ppm1 2.93800 ppm2 2.63200
ASSI ( resid 5 and name HB2 )
( resid 5 and name HB1 )
6.0 0.1 0.1 peak 1814 weight 1.1 volume 2814.70239 ppm1 2.70800 ppm2 2.57300
OR ( resid 5 and name HB2 )
( resid 32 and name HB2 )
OR ( resid 6 and name HB2 )
( resid 5 and name HB1 )
OR ( resid 6 and name HB2 )
( resid 32 and name HB2 )
ASSI ( resid 39 and name HB1 )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 1815 weight 1.1 volume 463.03448 ppm1 3.01800 ppm2 2.79100
ASSI ( resid 39 and name HB2 )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 1816 weight 1.1 volume 876.12262 ppm1 2.79200 ppm2 3.01300
ASSI ( resid 7 and name HB1 )
( resid 48 and name HB2 )
6.0 0.1 0.1 peak 1817 weight 1.1 volume 283.98151 ppm1 2.84800 ppm2 3.11600
ASSI ( resid 16 and name HB1 )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 1818 weight 1.1 volume 1014.30780 ppm1 2.94300 ppm2 3.25400
ASSI ( resid 40 and name HB1 )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 1819 weight 1.1 volume 1185.56140 ppm1 2.87100 ppm2 3.32800
ASSI ( resid 10 and name HB2 )
( resid 10 and name HB1 )
6.0 0.1 0.1 peak 1820 weight 1.1 volume 639.17462 ppm1 2.80500 ppm2 3.35400
ASSI ( attr store1 < 2.733 and attr store1 > 2.693 )
( attr store1 < 3.427 and attr store1 > 3.347 )
6.0 0.1 0.1 peak 1821 volume 176.21629 ppm1 2.71300 ppm2 3.38700
ASSI ( resid 7 and name HB1 )
( resid 48 and name HB1 )
6.0 0.1 0.1 peak 1822 weight 1.1 volume 109.62230 ppm1 2.85100 ppm2 3.51400
ASSI ( resid 50 and name HB2 )
( resid 51 and name HD2 )
6.0 0.1 0.1 peak 1823 weight 1.1 volume 194.06940 ppm1 2.72900 ppm2 3.50900
OR ( resid 35 and name HB2 )
( resid 51 and name HD2 )
ASSI ( resid 16 and name HB1 )
( resid 17 and name HD2 )
6.0 0.1 0.1 peak 1824 weight 1.1 volume 273.67410 ppm1 2.93800 ppm2 3.84900
OR ( resid 16 and name HB1 )
( resid 17 and name HD1 )
ASSI ( attr store1 < 2.957 and attr store1 > 2.917 )
( attr store1 < 4.299 and attr store1 > 4.219 )
6.0 0.1 0.1 peak 1825 volume 54.65710 ppm1 2.93700 ppm2 4.25900
ASSI ( resid 57 and name HE1 )
( resid 52 and name HA )
6.0 0.1 0.1 peak 1826 weight 1.1 volume 217.36971 ppm1 2.79100 ppm2 3.95300
OR ( resid 57 and name HE2 )
( resid 52 and name HA )
ASSI ( resid 50 and name HB2 )
( resid 51 and name HD1 )
6.0 0.1 0.1 peak 1827 weight 1.1 volume 32.37710 ppm1 2.73300 ppm2 4.03800
OR ( resid 50 and name HB1 )
( resid 51 and name HD1 )
ASSI ( attr store1 < 2.95 and attr store1 > 2.91 )
( attr store1 < 4.117 and attr store1 > 4.037 )
6.0 0.1 0.1 peak 1828 volume 30.95620 ppm1 2.93000 ppm2 4.07700
ASSI ( attr store1 < 2.975 and attr store1 > 2.935 )
( attr store1 < 3.991 and attr store1 > 3.911 )
6.0 0.1 0.1 peak 1829 volume 52.81050 ppm1 2.95500 ppm2 3.95100
ASSI ( resid 43 and name HE1 )
( resid 43 and name HA )
6.0 0.1 0.1 peak 1830 weight 1.1 volume 40.26510 ppm1 2.92300 ppm2 4.36100
OR ( resid 43 and name HE1 )
( resid 24 and name HA )
OR ( resid 23 and name HB1 )
( resid 43 and name HA )
OR ( resid 23 and name HB1 )
( resid 24 and name HA )
ASSI ( resid 6 and name HB1 )
( resid 6 and name HA )
6.0 0.1 0.1 peak 1831 weight 1.1 volume 528.18488 ppm1 2.86600 ppm2 4.41200
ASSI ( resid 6 and name HB2 )
( resid 6 and name HA )
6.0 0.1 0.1 peak 1832 weight 1.1 volume 476.94211 ppm1 2.70800 ppm2 4.41200
OR ( resid 7 and name HB2 )
( resid 6 and name HA )
ASSI ( attr store1 < 2.716 and attr store1 > 2.676 )
( attr store1 < 4.545 and attr store1 > 4.465 )
6.0 0.1 0.1 peak 1833 volume 50.49170 ppm1 2.69600 ppm2 4.50500
ASSI ( attr store1 < 2.857 and attr store1 > 2.817 )
( attr store1 < 4.544 and attr store1 > 4.464 )
6.0 0.1 0.1 peak 1834 volume 51.20570 ppm1 2.83700 ppm2 4.50400
ASSI ( resid 29 and name HB2 )
( resid 30 and name HA )
6.0 0.1 0.1 peak 1835 weight 1.1 volume 51.32520 ppm1 2.90400 ppm2 4.50000
ASSI ( attr store1 < 2.828 and attr store1 > 2.788 )
( attr store1 < 4.546 and attr store1 > 4.466 )
6.0 0.1 0.1 peak 1836 volume 27.53760 ppm1 2.80800 ppm2 4.50600
ASSI ( attr store1 < 2.603 and attr store1 > 2.563 )
( attr store1 < 4.454 and attr store1 > 4.374 )
6.0 0.1 0.1 peak 1837 volume 34.26300 ppm1 2.58300 ppm2 4.41400
ASSI ( attr store1 < 2.606 and attr store1 > 2.566 )
( attr store1 < 4.545 and attr store1 > 4.465 )
6.0 0.1 0.1 peak 1838 volume 20.75630 ppm1 2.58600 ppm2 4.50500
ASSI ( resid 5 and name HB1 )
( resid 5 and name HA )
6.0 0.1 0.1 peak 1839 weight 1.1 volume 492.94211 ppm1 2.57000 ppm2 4.60600
OR ( resid 32 and name HB2 )
( resid 5 and name HA )
ASSI ( resid 5 and name HB2 )
( resid 5 and name HA )
6.0 0.1 0.1 peak 1840 weight 1.1 volume 445.80688 ppm1 2.71100 ppm2 4.60100
ASSI ( resid 7 and name HB2 )
( resid 7 and name HA )
6.0 0.1 0.1 peak 1841 weight 1.1 volume 174.71440 ppm1 2.71000 ppm2 4.56500
ASSI ( resid 7 and name HB1 )
( resid 7 and name HA )
6.0 0.1 0.1 peak 1842 weight 1.1 volume 449.90601 ppm1 2.85600 ppm2 4.56700
ASSI ( resid 33 and name HB2 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 1843 weight 1.1 volume 1243.07800 ppm1 2.74300 ppm2 4.63300
OR ( resid 33 and name HB1 )
( resid 33 and name HA )
ASSI ( resid 69 and name HB1 )
( resid 69 and name HA )
6.0 0.1 0.1 peak 1844 weight 1.1 volume 1517.25977 ppm1 2.71300 ppm2 4.65200
OR ( resid 69 and name HB1 )
( resid 50 and name HA )
OR ( resid 69 and name HB1 )
( resid 3 and name HA )
OR ( resid 69 and name HB1 )
( resid 33 and name HA )
OR ( resid 50 and name HB2 )
( resid 69 and name HA )
OR ( resid 50 and name HB2 )
( resid 50 and name HA )
OR ( resid 50 and name HB2 )
( resid 3 and name HA )
OR ( resid 50 and name HB2 )
( resid 33 and name HA )
OR ( resid 3 and name HB1 )
( resid 69 and name HA )
OR ( resid 3 and name HB1 )
( resid 50 and name HA )
OR ( resid 3 and name HB1 )
( resid 3 and name HA )
OR ( resid 3 and name HB1 )
( resid 33 and name HA )
OR ( resid 33 and name HB2 )
( resid 69 and name HA )
OR ( resid 33 and name HB2 )
( resid 50 and name HA )
OR ( resid 33 and name HB2 )
( resid 3 and name HA )
OR ( resid 33 and name HB2 )
( resid 33 and name HA )
OR ( resid 33 and name HB1 )
( resid 69 and name HA )
OR ( resid 33 and name HB1 )
( resid 50 and name HA )
OR ( resid 33 and name HB1 )
( resid 3 and name HA )
OR ( resid 33 and name HB1 )
( resid 33 and name HA )
ASSI ( attr store1 < 2.744 and attr store1 > 2.704 )
( attr store1 < 4.749 and attr store1 > 4.669 )
6.0 0.1 0.1 peak 1845 volume 135.40620 ppm1 2.72400 ppm2 4.70900
ASSI ( resid 39 and name HB1 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1846 weight 1.1 volume 186.25790 ppm1 3.01800 ppm2 5.09600
ASSI ( resid 23 and name HB1 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1847 weight 1.1 volume 128.36920 ppm1 2.93800 ppm2 5.09500
ASSI ( resid 16 and name HB1 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 1848 weight 1.1 volume 242.35159 ppm1 2.95800 ppm2 4.89000
ASSI ( resid 12 and name HB2 )
( resid 12 and name HA )
6.0 0.1 0.1 peak 1849 weight 1.1 volume 529.33337 ppm1 2.89400 ppm2 4.90900
ASSI ( resid 12 and name HB1 )
( resid 12 and name HA )
6.0 0.1 0.1 peak 1850 weight 1.1 volume 942.55908 ppm1 2.82400 ppm2 4.91100
ASSI ( resid 7 and name HB1 )
( resid 48 and name HA )
6.0 0.1 0.1 peak 1851 weight 1.1 volume 37.19300 ppm1 2.83300 ppm2 4.82600
ASSI ( resid 6 and name HB1 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 1852 weight 1.1 volume 25.17020 ppm1 2.85500 ppm2 4.98200
ASSI ( attr store1 < 2.751 and attr store1 > 2.711 )
( attr store1 < 4.969 and attr store1 > 4.889 )
6.0 0.1 0.1 peak 1853 volume 167.51250 ppm1 2.73100 ppm2 4.92900
ASSI ( resid 33 and name HB2 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 1854 weight 1.1 volume 192.22530 ppm1 2.74000 ppm2 4.98600
OR ( resid 33 and name HB1 )
( resid 32 and name HA )
ASSI ( resid 40 and name HB1 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1855 weight 1.1 volume 34.79120 ppm1 2.86700 ppm2 5.09300
ASSI ( resid 39 and name HB2 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 1856 weight 1.1 volume 257.65091 ppm1 2.80200 ppm2 5.08100
ASSI ( resid 35 and name HB1 )
( resid 35 and name HA )
6.0 0.1 0.1 peak 1857 weight 1.1 volume 642.90668 ppm1 2.73200 ppm2 5.19800
OR ( resid 35 and name HB2 )
( resid 35 and name HA )
ASSI ( resid 55 and name HB2 )
( resid 56 and name HN )
6.0 0.1 0.1 peak 1858 weight 1.1 volume 55.20750 ppm1 3.15800 ppm2 5.78100
ASSI ( resid 56 and name HA )
( resid 56 and name HN )
6.0 0.1 0.1 peak 1859 weight 1.1 volume 163.16119 ppm1 2.88200 ppm2 5.77900
ASSI ( resid 40 and name HB1 )
( resid 40 and name HA )
6.0 0.1 0.1 peak 1860 weight 1.1 volume 219.86940 ppm1 2.87100 ppm2 5.55100
ASSI ( resid 23 and name HB1 )
( resid 23 and name HA )
6.0 0.1 0.1 peak 1861 weight 1.1 volume 306.03400 ppm1 2.94100 ppm2 5.91100
ASSI ( resid 53 and name HG1 )
( resid 53 and name HG2 )
6.0 0.1 0.1 peak 1862 weight 1.1 volume 963.64960 ppm1 2.43900 ppm2 2.19900
ASSI ( resid 30 and name HG2 )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 1863 weight 1.1 volume 1284.91650 ppm1 2.30000 ppm2 1.91400
OR ( resid 30 and name HG2 )
( resid 30 and name HB1 )
ASSI ( resid 30 and name HG2 )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 1864 weight 1.1 volume 198.94611 ppm1 2.30200 ppm2 1.50000
OR ( resid 30 and name HG2 )
( resid 27 and name HB1 )
ASSI ( attr store1 < 2.257 and attr store1 > 2.217 )
( attr store1 < 1.539 and attr store1 > 1.459 )
6.0 0.1 0.1 peak 1865 volume 103.58450 ppm1 2.23700 ppm2 1.49900
ASSI ( resid 26 and name HG2 )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 1866 weight 1.1 volume 96.00880 ppm1 2.20700 ppm2 1.35500
ASSI ( resid 14 and name HA )
( resid 14 and name HB )
6.0 0.1 0.1 peak 1867 weight 1.1 volume 105.30820 ppm1 2.38600 ppm2 1.10200
ASSI ( resid 14 and name HA )
( resid 14 and name HG11 )
6.0 0.1 0.1 peak 1868 weight 1.1 volume 70.50330 ppm1 2.38800 ppm2 0.96800
ASSI ( resid 59 and name HG12 )
( resid 59 and name HG11 )
6.0 0.1 0.1 peak 1869 weight 1.1 volume 1127.02722 ppm1 2.19800 ppm2 0.88200
OR ( resid 59 and name HG12 )
( resid 21 and name HG11 )
OR ( resid 21 and name HB )
( resid 59 and name HG11 )
OR ( resid 21 and name HB )
( resid 21 and name HG11 )
ASSI ( attr store1 < 2.315 and attr store1 > 2.275 )
( attr store1 < 0.892 and attr store1 > 0.812 )
6.0 0.1 0.1 peak 1870 volume 22.87120 ppm1 2.29500 ppm2 0.85200
ASSI ( resid 17 and name HB1 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1871 weight 1.1 volume 295.79349 ppm1 2.13000 ppm2 0.70900
ASSI ( resid 59 and name HG12 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1872 weight 1.1 volume 908.49127 ppm1 2.19300 ppm2 0.71600
OR ( resid 59 and name HG12 )
( resid 21 and name HG21 )
OR ( resid 21 and name HB )
( resid 59 and name HD11 )
OR ( resid 21 and name HB )
( resid 21 and name HG21 )
ASSI ( resid 59 and name HG12 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1873 weight 1.1 volume 192.31250 ppm1 2.21100 ppm2 0.63400
ASSI ( resid 17 and name HB1 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1874 weight 1.1 volume 60.74060 ppm1 2.13600 ppm2 0.63200
ASSI ( resid 14 and name HA )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 1875 weight 1.1 volume 27.67430 ppm1 2.38900 ppm2 0.50400
ASSI ( resid 14 and name HA )
( resid 14 and name HG12 )
6.0 0.1 0.1 peak 1876 weight 1.1 volume 588.48218 ppm1 2.38900 ppm2 0.08100
OR ( resid 14 and name HA )
( resid 14 and name HG21 )
ASSI ( attr store1 < 2.224 and attr store1 > 2.184 )
( attr store1 < -0.518 and attr store1 > -0.598 )
6.0 0.1 0.1 peak 1877 volume 21.33500 ppm1 2.20400 ppm2 -0.55800
ASSI ( resid 44 and name HB2 )
( resid 44 and name HG2 )
6.0 0.1 0.1 peak 1878 weight 1.1 volume 429.40649 ppm1 2.10000 ppm2 1.30400
OR ( resid 44 and name HB2 )
( resid 44 and name HG1 )
ASSI ( resid 44 and name HB1 )
( resid 44 and name HG1 )
6.0 0.1 0.1 peak 1879 weight 1.1 volume 670.81488 ppm1 1.97200 ppm2 1.30500
OR ( resid 44 and name HB1 )
( resid 44 and name HG2 )
ASSI ( resid 26 and name HB2 )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 1880 weight 1.1 volume 246.57381 ppm1 1.89300 ppm2 1.36000
ASSI ( resid 65 and name HB1 )
( resid 65 and name HG2 )
6.0 0.1 0.1 peak 1881 weight 1.1 volume 1260.81787 ppm1 1.84300 ppm2 1.47800
OR ( resid 65 and name HB1 )
( resid 66 and name HG2 )
OR ( resid 65 and name HB1 )
( resid 61 and name HG2 )
OR ( resid 65 and name HB1 )
( resid 42 and name HG2 )
OR ( resid 65 and name HB1 )
( resid 42 and name HG1 )
OR ( resid 65 and name HB1 )
( resid 65 and name HG1 )
OR ( resid 65 and name HB1 )
( resid 62 and name HG )
OR ( resid 66 and name HB2 )
( resid 65 and name HG2 )
OR ( resid 66 and name HB2 )
( resid 66 and name HG2 )
OR ( resid 66 and name HB2 )
( resid 61 and name HG2 )
OR ( resid 66 and name HB2 )
( resid 42 and name HG2 )
OR ( resid 66 and name HB2 )
( resid 42 and name HG1 )
OR ( resid 66 and name HB2 )
( resid 65 and name HG1 )
OR ( resid 66 and name HB2 )
( resid 62 and name HG )
OR ( resid 61 and name HB2 )
( resid 65 and name HG2 )
OR ( resid 61 and name HB2 )
( resid 66 and name HG2 )
OR ( resid 61 and name HB2 )
( resid 61 and name HG2 )
OR ( resid 61 and name HB2 )
( resid 42 and name HG2 )
OR ( resid 61 and name HB2 )
( resid 42 and name HG1 )
OR ( resid 61 and name HB2 )
( resid 65 and name HG1 )
OR ( resid 61 and name HB2 )
( resid 62 and name HG )
OR ( resid 42 and name HB2 )
( resid 65 and name HG2 )
OR ( resid 42 and name HB2 )
( resid 66 and name HG2 )
OR ( resid 42 and name HB2 )
( resid 61 and name HG2 )
OR ( resid 42 and name HB2 )
( resid 42 and name HG2 )
OR ( resid 42 and name HB2 )
( resid 42 and name HG1 )
OR ( resid 42 and name HB2 )
( resid 65 and name HG1 )
OR ( resid 42 and name HB2 )
( resid 62 and name HG )
ASSI ( resid 52 and name HD1 )
( resid 52 and name HB1 )
6.0 0.1 0.1 peak 1882 weight 1.1 volume 930.01532 ppm1 1.78500 ppm2 1.48700
OR ( resid 52 and name HD1 )
( resid 52 and name HB2 )
ASSI ( resid 51 and name HB2 )
( resid 52 and name HG1 )
6.0 0.1 0.1 peak 1883 weight 1.1 volume 380.86450 ppm1 1.77900 ppm2 1.36400
OR ( resid 52 and name HD1 )
( resid 52 and name HG1 )
ASSI ( resid 52 and name HD1 )
( resid 52 and name HG2 )
6.0 0.1 0.1 peak 1884 weight 1.1 volume 394.33481 ppm1 1.78300 ppm2 1.24500
OR ( resid 51 and name HB2 )
( resid 52 and name HG2 )
ASSI ( resid 38 and name HB )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 1885 weight 1.1 volume 173.99130 ppm1 1.77300 ppm2 1.18400
ASSI ( resid 20 and name HB )
( resid 20 and name HG21 )
6.0 0.1 0.1 peak 1886 weight 1.1 volume 587.33539 ppm1 1.90300 ppm2 1.04700
ASSI ( resid 38 and name HB )
( resid 38 and name HG12 )
6.0 0.1 0.1 peak 1887 weight 1.1 volume 304.40869 ppm1 1.77400 ppm2 1.03800
OR ( resid 38 and name HB )
( resid 38 and name HG11 )
ASSI ( resid 67 and name HB )
( resid 67 and name HG21 )
6.0 0.1 0.1 peak 1888 weight 1.1 volume 725.06348 ppm1 2.08100 ppm2 0.92200
OR ( resid 67 and name HB )
( resid 67 and name HG11 )
ASSI ( resid 47 and name HB )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 1889 weight 1.1 volume 275.26819 ppm1 2.03000 ppm2 0.86500
ASSI ( resid 51 and name HB2 )
( resid 51 and name HB1 )
6.0 0.1 0.1 peak 1890 weight 1.1 volume 878.77338 ppm1 1.78200 ppm2 2.07500
ASSI ( resid 51 and name HG1 )
( resid 51 and name HB1 )
6.0 0.1 0.1 peak 1891 weight 1.1 volume 458.22360 ppm1 1.71900 ppm2 2.07600
ASSI ( resid 43 and name HB2 )
( resid 43 and name HB1 )
6.0 0.1 0.1 peak 1892 weight 1.1 volume 1272.96228 ppm1 1.62200 ppm2 2.00900
ASSI ( resid 43 and name HG1 )
( resid 43 and name HB1 )
6.0 0.1 0.1 peak 1893 weight 1.1 volume 277.60699 ppm1 1.38800 ppm2 2.01000
OR ( resid 43 and name HG2 )
( resid 43 and name HB1 )
ASSI ( resid 36 and name HB1 )
( resid 26 and name HB1 )
6.0 0.1 0.1 peak 1894 weight 1.1 volume 230.09460 ppm1 1.35400 ppm2 2.03500
ASSI ( resid 44 and name HG1 )
( resid 44 and name HB1 )
6.0 0.1 0.1 peak 1895 weight 1.1 volume 556.30792 ppm1 1.30300 ppm2 1.96600
OR ( resid 44 and name HG2 )
( resid 44 and name HB1 )
ASSI ( resid 44 and name HG2 )
( resid 44 and name HB2 )
6.0 0.1 0.1 peak 1896 weight 1.1 volume 581.33722 ppm1 1.30300 ppm2 2.09900
OR ( resid 44 and name HG1 )
( resid 44 and name HB2 )
ASSI ( resid 36 and name HB1 )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 1897 weight 1.1 volume 378.93689 ppm1 1.35500 ppm2 1.88600
ASSI ( resid 36 and name HB1 )
( resid 26 and name HG1 )
6.0 0.1 0.1 peak 1898 weight 1.1 volume 198.33920 ppm1 1.35300 ppm2 2.23200
OR ( resid 36 and name HB1 )
( resid 26 and name HG2 )
ASSI ( resid 47 and name HG11 )
( resid 47 and name HB )
6.0 0.1 0.1 peak 1899 weight 1.1 volume 693.51343 ppm1 1.16700 ppm2 2.03000
OR ( resid 41 and name HG21 )
( resid 47 and name HB )
ASSI ( attr store1 < 1.105 and attr store1 > 1.065 )
( attr store1 < 1.948 and attr store1 > 1.868 )
6.0 0.1 0.1 peak 1900 volume 92.98390 ppm1 1.08500 ppm2 1.90800
ASSI ( resid 20 and name HG21 )
( resid 20 and name HB )
6.0 0.1 0.1 peak 1901 weight 1.1 volume 583.71710 ppm1 1.04700 ppm2 1.90100
ASSI ( resid 37 and name HG11 )
( resid 51 and name HB1 )
6.0 0.1 0.1 peak 1902 weight 1.1 volume 63.32980 ppm1 1.06400 ppm2 2.07100
ASSI ( resid 47 and name HG21 )
( resid 47 and name HB )
6.0 0.1 0.1 peak 1903 weight 1.1 volume 757.98767 ppm1 0.95100 ppm2 2.02800
ASSI ( resid 67 and name HG21 )
( resid 67 and name HB )
6.0 0.1 0.1 peak 1904 weight 1.1 volume 892.40851 ppm1 0.90900 ppm2 2.06200
OR ( resid 67 and name HG11 )
( resid 67 and name HB )
ASSI ( resid 15 and name HD21 )
( resid 47 and name HB )
6.0 0.1 0.1 peak 1905 weight 1.1 volume 786.00281 ppm1 0.85800 ppm2 2.03600
ASSI ( attr store1 < 0.73761 and attr store1 > 0.69761 )
( attr store1 < 2.07738 and attr store1 > 1.99738 )
6.0 0.1 0.1 peak 1906 volume 286.15369 ppm1 0.71761 ppm2 2.03738
ASSI ( resid 63 and name HD21 )
( resid 63 and name HG )
6.0 0.1 0.1 peak 1907 weight 1.1 volume 780.53339 ppm1 0.90100 ppm2 1.85100
ASSI ( resid 63 and name HD11 )
( resid 63 and name HG )
6.0 0.1 0.1 peak 1908 weight 1.1 volume 677.32068 ppm1 0.84200 ppm2 1.84900
ASSI ( resid 34 and name HG21 )
( resid 34 and name HB )
6.0 0.1 0.1 peak 1909 weight 1.1 volume 1008.01721 ppm1 0.69500 ppm2 1.90800
ASSI ( resid 59 and name HG21 )
( resid 20 and name HB )
6.0 0.1 0.1 peak 1910 weight 1.1 volume 449.01489 ppm1 0.63400 ppm2 1.91100
ASSI ( resid 59 and name HG21 )
( resid 59 and name HB )
6.0 0.1 0.1 peak 1911 weight 1.1 volume 718.94897 ppm1 0.63400 ppm2 1.84000
ASSI ( resid 59 and name HD11 )
( resid 59 and name HB )
6.0 0.1 0.1 peak 1912 weight 1.1 volume 580.54211 ppm1 0.70600 ppm2 1.83300
ASSI ( attr store1 < 0.651 and attr store1 > 0.611 )
( attr store1 < 2.075 and attr store1 > 1.995 )
6.0 0.1 0.1 peak 1913 volume 59.23530 ppm1 0.63100 ppm2 2.03500
ASSI ( resid 37 and name HD11 )
( resid 51 and name HB1 )
6.0 0.1 0.1 peak 1914 weight 1.1 volume 183.69810 ppm1 0.53200 ppm2 2.07200
ASSI ( attr store1 < 0.371 and attr store1 > 0.331 )
( attr store1 < 2.074 and attr store1 > 1.994 )
6.0 0.1 0.1 peak 1915 volume 49.15000 ppm1 0.35100 ppm2 2.03400
ASSI ( resid 56 and name HG21 )
( resid 51 and name HB1 )
6.0 0.1 0.1 peak 1916 weight 1.1 volume 78.07100 ppm1 0.31400 ppm2 2.07600
ASSI ( resid 20 and name HD11 )
( resid 20 and name HB )
6.0 0.1 0.1 peak 1917 weight 1.1 volume 663.36530 ppm1 0.35300 ppm2 1.90200
ASSI ( resid 34 and name HD11 )
( resid 34 and name HB )
6.0 0.1 0.1 peak 1918 weight 1.1 volume 417.21429 ppm1 0.17100 ppm2 1.90700
ASSI ( resid 63 and name HB1 )
( resid 63 and name HD21 )
6.0 0.1 0.1 peak 1919 weight 1.1 volume 729.56958 ppm1 1.93200 ppm2 0.89900
ASSI ( resid 63 and name HG )
( resid 63 and name HD11 )
6.0 0.1 0.1 peak 1920 weight 1.1 volume 622.83173 ppm1 1.86100 ppm2 0.84200
ASSI ( resid 63 and name HB1 )
( resid 63 and name HD11 )
6.0 0.1 0.1 peak 1921 weight 1.1 volume 733.46777 ppm1 1.93200 ppm2 0.84200
ASSI ( resid 63 and name HG )
( resid 63 and name HD21 )
6.0 0.1 0.1 peak 1922 weight 1.1 volume 519.54657 ppm1 1.86100 ppm2 0.90300
ASSI ( resid 38 and name HB )
( resid 38 and name HD11 )
6.0 0.1 0.1 peak 1923 weight 1.1 volume 409.90381 ppm1 1.77500 ppm2 0.86000
ASSI ( resid 57 and name HB1 )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 1924 weight 1.1 volume 552.94879 ppm1 1.70000 ppm2 1.22800
OR ( resid 57 and name HB2 )
( resid 57 and name HG2 )
ASSI ( resid 11 and name HG21 )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 1925 weight 1.1 volume 594.42749 ppm1 1.52500 ppm2 1.16800
ASSI ( resid 15 and name HG )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 1926 weight 1.1 volume 270.64450 ppm1 1.56600 ppm2 1.16500
OR ( resid 15 and name HG )
( resid 41 and name HG21 )
OR ( resid 45 and name HB2 )
( resid 47 and name HG11 )
OR ( resid 45 and name HB2 )
( resid 41 and name HG21 )
OR ( resid 45 and name HB1 )
( resid 47 and name HG11 )
OR ( resid 45 and name HB1 )
( resid 41 and name HG21 )
ASSI ( resid 57 and name HD1 )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 1927 weight 1.1 volume 733.58398 ppm1 1.52200 ppm2 1.23800
OR ( resid 57 and name HD2 )
( resid 57 and name HG2 )
ASSI ( resid 57 and name HG1 )
( resid 57 and name HG2 )
6.0 0.1 0.1 peak 1928 weight 1.1 volume 1131.55286 ppm1 1.45500 ppm2 1.23400
ASSI ( resid 18 and name HB2 )
( resid 18 and name HG1 )
6.0 0.1 0.1 peak 1929 weight 1.1 volume 222.82581 ppm1 1.66600 ppm2 0.98100
ASSI ( attr store1 < 1.544 and attr store1 > 1.504 )
( attr store1 < 1.0 and attr store1 > 0.92 )
6.0 0.1 0.1 peak 1930 volume 226.68961 ppm1 1.52400 ppm2 0.96000
ASSI ( resid 15 and name HG )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 1931 weight 1.1 volume 167.97270 ppm1 1.56700 ppm2 0.95900
OR ( resid 15 and name HG )
( resid 20 and name HG12 )
OR ( resid 45 and name HB2 )
( resid 47 and name HG21 )
OR ( resid 45 and name HB2 )
( resid 20 and name HG12 )
OR ( resid 45 and name HB1 )
( resid 47 and name HG21 )
OR ( resid 45 and name HB1 )
( resid 20 and name HG12 )
ASSI ( resid 13 and name HB2 )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 1932 weight 1.1 volume 3394.00000 ppm1 1.56900 ppm2 0.86300
OR ( resid 13 and name HB2 )
( resid 45 and name HD11 )
OR ( resid 13 and name HB2 )
( resid 8 and name HD21 )
OR ( resid 15 and name HG )
( resid 15 and name HD21 )
OR ( resid 15 and name HG )
( resid 45 and name HD11 )
OR ( resid 15 and name HG )
( resid 8 and name HD21 )
OR ( resid 45 and name HB2 )
( resid 15 and name HD21 )
OR ( resid 45 and name HB2 )
( resid 45 and name HD11 )
OR ( resid 45 and name HB2 )
( resid 8 and name HD21 )
OR ( resid 45 and name HB1 )
( resid 15 and name HD21 )
OR ( resid 45 and name HB1 )
( resid 45 and name HD11 )
OR ( resid 45 and name HB1 )
( resid 8 and name HD21 )
OR ( resid 13 and name HB1 )
( resid 15 and name HD21 )
OR ( resid 13 and name HB1 )
( resid 45 and name HD11 )
OR ( resid 13 and name HB1 )
( resid 8 and name HD21 )
OR ( resid 8 and name HB1 )
( resid 15 and name HD21 )
OR ( resid 8 and name HB1 )
( resid 45 and name HD11 )
OR ( resid 8 and name HB1 )
( resid 8 and name HD21 )
OR ( resid 8 and name HB2 )
( resid 15 and name HD21 )
OR ( resid 8 and name HB2 )
( resid 45 and name HD11 )
OR ( resid 8 and name HB2 )
( resid 8 and name HD21 )
ASSI ( resid 45 and name HG )
( resid 45 and name HD11 )
6.0 0.1 0.1 peak 1933 weight 1.1 volume 5497.54883 ppm1 1.47100 ppm2 0.84700
OR ( resid 45 and name HG )
( resid 18 and name HG2 )
OR ( resid 45 and name HG )
( resid 27 and name HD21 )
OR ( resid 45 and name HG )
( resid 27 and name HD11 )
OR ( resid 18 and name HD1 )
( resid 45 and name HD11 )
OR ( resid 18 and name HD1 )
( resid 18 and name HG2 )
OR ( resid 18 and name HD1 )
( resid 27 and name HD21 )
OR ( resid 18 and name HD1 )
( resid 27 and name HD11 )
OR ( resid 27 and name HB1 )
( resid 45 and name HD11 )
OR ( resid 27 and name HB1 )
( resid 18 and name HG2 )
OR ( resid 27 and name HB1 )
( resid 27 and name HD21 )
OR ( resid 27 and name HB1 )
( resid 27 and name HD11 )
OR ( resid 27 and name HB2 )
( resid 45 and name HD11 )
OR ( resid 27 and name HB2 )
( resid 18 and name HG2 )
OR ( resid 27 and name HB2 )
( resid 27 and name HD21 )
OR ( resid 27 and name HB2 )
( resid 27 and name HD11 )
ASSI ( attr store1 < 1.71 and attr store1 > 1.67 )
( attr store1 < 0.893 and attr store1 > 0.813 )
6.0 0.1 0.1 peak 1934 volume 371.84119 ppm1 1.69000 ppm2 0.85300
ASSI ( attr store1 < 1.711 and attr store1 > 1.671 )
( attr store1 < 0.851 and attr store1 > 0.771 )
6.0 0.1 0.1 peak 1935 volume 270.58359 ppm1 1.69100 ppm2 0.81100
ASSI ( resid 34 and name HB )
( resid 34 and name HG21 )
6.0 0.1 0.1 peak 1936 weight 1.1 volume 955.16632 ppm1 1.91300 ppm2 0.69700
OR ( resid 34 and name HB )
( resid 59 and name HD11 )
OR ( resid 20 and name HB )
( resid 34 and name HG21 )
OR ( resid 20 and name HB )
( resid 59 and name HD11 )
OR ( resid 17 and name HG1 )
( resid 34 and name HG21 )
OR ( resid 17 and name HG1 )
( resid 59 and name HD11 )
OR ( resid 17 and name HG2 )
( resid 34 and name HG21 )
OR ( resid 17 and name HG2 )
( resid 59 and name HD11 )
ASSI ( resid 59 and name HB )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 1937 weight 1.1 volume 496.28970 ppm1 1.83500 ppm2 0.70500
ASSI ( resid 63 and name HB1 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1938 weight 1.1 volume 395.61951 ppm1 1.91200 ppm2 0.63200
OR ( resid 20 and name HB )
( resid 59 and name HG21 )
OR ( resid 17 and name HG1 )
( resid 59 and name HG21 )
OR ( resid 17 and name HG2 )
( resid 59 and name HG21 )
ASSI ( resid 59 and name HB )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1939 weight 1.1 volume 467.83209 ppm1 1.84400 ppm2 0.63200
ASSI ( resid 8 and name HG )
( resid 8 and name HD11 )
6.0 0.1 0.1 peak 1940 weight 1.1 volume 1209.51440 ppm1 1.52500 ppm2 0.73600
ASSI ( resid 15 and name HG )
( resid 15 and name HD11 )
6.0 0.1 0.1 peak 1941 weight 1.1 volume 2112.89673 ppm1 1.57900 ppm2 0.73600
OR ( resid 15 and name HG )
( resid 62 and name HD11 )
OR ( resid 15 and name HG )
( resid 8 and name HD11 )
OR ( resid 15 and name HG )
( resid 62 and name HD21 )
OR ( resid 62 and name HB2 )
( resid 15 and name HD11 )
OR ( resid 62 and name HB2 )
( resid 62 and name HD11 )
OR ( resid 62 and name HB2 )
( resid 8 and name HD11 )
OR ( resid 62 and name HB2 )
( resid 62 and name HD21 )
OR ( resid 8 and name HB2 )
( resid 15 and name HD11 )
OR ( resid 8 and name HB2 )
( resid 62 and name HD11 )
OR ( resid 8 and name HB2 )
( resid 8 and name HD11 )
OR ( resid 8 and name HB2 )
( resid 62 and name HD21 )
OR ( resid 62 and name HB1 )
( resid 15 and name HD11 )
OR ( resid 62 and name HB1 )
( resid 62 and name HD11 )
OR ( resid 62 and name HB1 )
( resid 8 and name HD11 )
OR ( resid 62 and name HB1 )
( resid 62 and name HD21 )
OR ( resid 8 and name HB1 )
( resid 15 and name HD11 )
OR ( resid 8 and name HB1 )
( resid 62 and name HD11 )
OR ( resid 8 and name HB1 )
( resid 8 and name HD11 )
OR ( resid 8 and name HB1 )
( resid 62 and name HD21 )
ASSI ( resid 62 and name HB1 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1942 weight 1.1 volume 101.74490 ppm1 1.58000 ppm2 0.63400
OR ( resid 62 and name HB2 )
( resid 59 and name HG21 )
ASSI ( resid 38 and name HB )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 1943 weight 1.1 volume 579.75983 ppm1 1.77600 ppm2 0.52400
ASSI ( resid 25 and name HB2 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1944 weight 1.1 volume 405.49591 ppm1 1.69500 ppm2 0.53300
OR ( resid 25 and name HB1 )
( resid 37 and name HD11 )
ASSI ( resid 51 and name HG2 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 1945 weight 1.1 volume 53.49150 ppm1 1.58500 ppm2 0.53500
ASSI ( resid 20 and name HB )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1946 weight 1.1 volume 400.59409 ppm1 1.90800 ppm2 0.35600
ASSI ( resid 60 and name HB )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 1947 weight 1.1 volume 712.89868 ppm1 1.73600 ppm2 0.28400
ASSI ( resid 60 and name HB )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 1948 weight 1.1 volume 705.46112 ppm1 1.73500 ppm2 0.33900
OR ( resid 60 and name HB )
( resid 56 and name HG21 )
OR ( resid 56 and name HB )
( resid 60 and name HG21 )
OR ( resid 56 and name HB )
( resid 56 and name HG21 )
ASSI ( resid 15 and name HG )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1949 weight 1.1 volume 64.63080 ppm1 1.57100 ppm2 0.34700
ASSI ( resid 34 and name HB )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1950 weight 1.1 volume 367.31241 ppm1 1.90700 ppm2 0.16900
ASSI ( resid 56 and name HB )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1951 weight 1.1 volume 62.94430 ppm1 1.77100 ppm2 -0.38200
ASSI ( resid 25 and name HB1 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1952 weight 1.1 volume 49.24680 ppm1 1.70000 ppm2 -0.38000
OR ( resid 25 and name HB2 )
( resid 37 and name HG21 )
ASSI ( resid 56 and name HB )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1953 weight 1.1 volume 463.88721 ppm1 1.77400 ppm2 -0.55900
ASSI ( attr store1 < 1.545 and attr store1 > 1.505 )
( attr store1 < -0.519 and attr store1 > -0.599 )
6.0 0.1 0.1 peak 1954 volume 33.63270 ppm1 1.52500 ppm2 -0.55900
ASSI ( resid 20 and name HG11 )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 1955 weight 1.1 volume 907.30280 ppm1 1.41700 ppm2 0.95600
ASSI ( resid 36 and name HB1 )
( resid 38 and name HG11 )
6.0 0.1 0.1 peak 1956 weight 1.1 volume 820.00299 ppm1 1.35700 ppm2 1.03100
OR ( resid 36 and name HB1 )
( resid 38 and name HG12 )
ASSI ( resid 49 and name HB1 )
( resid 37 and name HB )
6.0 0.1 0.1 peak 1957 weight 1.1 volume 324.11938 ppm1 1.23400 ppm2 1.13200
ASSI ( resid 47 and name HG11 )
( resid 47 and name HG21 )
6.0 0.1 0.1 peak 1958 weight 1.1 volume 1309.41809 ppm1 1.16500 ppm2 0.95400
OR ( resid 41 and name HG21 )
( resid 47 and name HG21 )
ASSI ( resid 47 and name HG11 )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 1959 weight 1.1 volume 897.65930 ppm1 1.16700 ppm2 0.86200
ASSI ( attr store1 < 1.256 and attr store1 > 1.216 )
( attr store1 < 0.899 and attr store1 > 0.819 )
6.0 0.1 0.1 peak 1960 volume 141.38560 ppm1 1.23600 ppm2 0.85900
ASSI ( resid 15 and name HB2 )
( resid 15 and name HD21 )
6.0 0.1 0.1 peak 1961 weight 1.1 volume 847.58667 ppm1 1.35400 ppm2 0.86100
OR ( resid 15 and name HB2 )
( resid 38 and name HD11 )
OR ( resid 36 and name HB1 )
( resid 15 and name HD21 )
OR ( resid 36 and name HB1 )
( resid 38 and name HD11 )
ASSI ( resid 62 and name HG )
( resid 62 and name HD11 )
6.0 0.1 0.1 peak 1962 weight 1.1 volume 1332.87732 ppm1 1.46000 ppm2 0.72800
OR ( resid 62 and name HG )
( resid 62 and name HD21 )
ASSI ( attr store1 < 1.26 and attr store1 > 1.22 )
( attr store1 < 0.763 and attr store1 > 0.683 )
6.0 0.1 0.1 peak 1963 volume 128.68311 ppm1 1.24000 ppm2 0.72300
ASSI ( resid 15 and name HB2 )
( resid 15 and name HD11 )
6.0 0.1 0.1 peak 1964 weight 1.1 volume 133.62030 ppm1 1.34000 ppm2 0.72800
ASSI ( resid 49 and name HB1 )
( resid 37 and name HG12 )
6.0 0.1 0.1 peak 1965 weight 1.1 volume 31.64240 ppm1 1.23600 ppm2 0.78400
ASSI ( resid 47 and name HG11 )
( resid 15 and name HD11 )
6.0 0.1 0.1 peak 1966 weight 1.1 volume 458.36050 ppm1 1.16500 ppm2 0.73100
OR ( resid 41 and name HG21 )
( resid 15 and name HD11 )
ASSI ( attr store1 < 1.108 and attr store1 > 1.068 )
( attr store1 < 0.733 and attr store1 > 0.653 )
6.0 0.1 0.1 peak 1967 volume 50.81520 ppm1 1.08800 ppm2 0.69300
ASSI ( attr store1 < 1.067 and attr store1 > 1.027 )
( attr store1 < 0.77 and attr store1 > 0.69 )
6.0 0.1 0.1 peak 1968 volume 212.12050 ppm1 1.04700 ppm2 0.73000
ASSI ( resid 8 and name HD11 )
( resid 8 and name HD21 )
6.0 0.1 0.1 peak 1969 weight 1.1 volume 2459.80444 ppm1 0.73800 ppm2 0.86200
ASSI ( attr store1 < 0.977 and attr store1 > 0.937 )
( attr store1 < 0.768 and attr store1 > 0.688 )
6.0 0.1 0.1 peak 1970 volume 504.95459 ppm1 0.95700 ppm2 0.72800
ASSI ( resid 20 and name HG21 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 1971 weight 1.1 volume 213.58141 ppm1 1.04700 ppm2 0.63400
ASSI ( attr store1 < 1.182 and attr store1 > 1.142 )
( attr store1 < 0.67 and attr store1 > 0.59 )
6.0 0.1 0.1 peak 1972 volume 20.60370 ppm1 1.16200 ppm2 0.63000
ASSI ( attr store1 < 1.254 and attr store1 > 1.214 )
( attr store1 < 0.672 and attr store1 > 0.592 )
6.0 0.1 0.1 peak 1973 volume 29.06240 ppm1 1.23400 ppm2 0.63200
ASSI ( attr store1 < 1.454 and attr store1 > 1.414 )
( attr store1 < 0.574 and attr store1 > 0.494 )
6.0 0.1 0.1 peak 1974 volume 116.17790 ppm1 1.43400 ppm2 0.53400
ASSI ( attr store1 < 1.377 and attr store1 > 1.337 )
( attr store1 < 0.568 and attr store1 > 0.488 )
6.0 0.1 0.1 peak 1975 volume 278.54419 ppm1 1.35700 ppm2 0.52800
ASSI ( attr store1 < 1.258 and attr store1 > 1.218 )
( attr store1 < 0.572 and attr store1 > 0.492 )
6.0 0.1 0.1 peak 1976 volume 75.75780 ppm1 1.23800 ppm2 0.53200
ASSI ( attr store1 < 1.19 and attr store1 > 1.15 )
( attr store1 < 0.559 and attr store1 > 0.479 )
6.0 0.1 0.1 peak 1977 volume 309.07471 ppm1 1.17000 ppm2 0.51900
ASSI ( resid 14 and name HG11 )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 1978 weight 1.1 volume 529.76031 ppm1 0.96600 ppm2 0.50900
ASSI ( resid 14 and name HB )
( resid 14 and name HD11 )
6.0 0.1 0.1 peak 1979 weight 1.1 volume 514.45001 ppm1 1.10800 ppm2 0.51800
ASSI ( resid 20 and name HG11 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1980 weight 1.1 volume 282.59439 ppm1 1.41200 ppm2 0.35400
ASSI ( resid 15 and name HB2 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1981 weight 1.1 volume 117.65970 ppm1 1.34300 ppm2 0.35400
ASSI ( resid 49 and name HB1 )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 1982 weight 1.1 volume 512.58478 ppm1 1.23800 ppm2 0.31300
ASSI ( resid 41 and name HG21 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1983 weight 1.1 volume 206.64070 ppm1 1.16500 ppm2 0.36200
ASSI ( resid 37 and name HB )
( resid 56 and name HG21 )
6.0 0.1 0.1 peak 1984 weight 1.1 volume 313.88239 ppm1 1.13700 ppm2 0.31000
ASSI ( resid 36 and name HB1 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1985 weight 1.1 volume 165.02760 ppm1 1.35400 ppm2 0.17100
ASSI ( resid 20 and name HG21 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1986 weight 1.1 volume 581.20258 ppm1 1.04700 ppm2 0.35300
ASSI ( resid 20 and name HG12 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1987 weight 1.1 volume 287.45520 ppm1 0.95200 ppm2 0.35400
ASSI ( resid 15 and name HD21 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 1988 weight 1.1 volume 502.27960 ppm1 0.85900 ppm2 0.35500
ASSI ( attr store1 < 0.877 and attr store1 > 0.837 )
( attr store1 < 0.321 and attr store1 > 0.241 )
6.0 0.1 0.1 peak 1989 volume 58.57210 ppm1 0.85700 ppm2 0.28100
ASSI ( attr store1 < 0.93 and attr store1 > 0.89 )
( attr store1 < 0.327 and attr store1 > 0.247 )
6.0 0.1 0.1 peak 1990 volume 118.71730 ppm1 0.91000 ppm2 0.28700
ASSI ( resid 14 and name HG11 )
( resid 14 and name HG12 )
6.0 0.1 0.1 peak 1991 weight 1.1 volume 1244.04395 ppm1 0.96400 ppm2 0.09100
OR ( resid 14 and name HG11 )
( resid 14 and name HG21 )
ASSI ( resid 14 and name HB )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 1992 weight 1.1 volume 949.96460 ppm1 1.11100 ppm2 0.06400
ASSI ( attr store1 < 0.777 and attr store1 > 0.737 )
( attr store1 < 0.211 and attr store1 > 0.131 )
6.0 0.1 0.1 peak 1993 volume 364.56100 ppm1 0.75700 ppm2 0.17100
ASSI ( resid 34 and name HG12 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1994 weight 1.1 volume 518.36060 ppm1 0.88300 ppm2 0.16800
OR ( resid 8 and name HD21 )
( resid 34 and name HD11 )
ASSI ( resid 34 and name HG11 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 1995 weight 1.1 volume 463.32349 ppm1 0.82500 ppm2 0.16800
ASSI ( attr store1 < 1.375 and attr store1 > 1.335 )
( attr store1 < -0.342 and attr store1 > -0.422 )
6.0 0.1 0.1 peak 1996 volume 33.52860 ppm1 1.35500 ppm2 -0.38200
ASSI ( resid 49 and name HB1 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 1997 weight 1.1 volume 660.10358 ppm1 1.23800 ppm2 -0.55900
ASSI ( resid 49 and name HB1 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1998 weight 1.1 volume 175.25909 ppm1 1.23800 ppm2 -0.38100
ASSI ( resid 37 and name HB )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 1999 weight 1.1 volume 421.21429 ppm1 1.13100 ppm2 -0.38100
ASSI ( resid 37 and name HG11 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2000 weight 1.1 volume 178.35390 ppm1 1.06200 ppm2 -0.38200
ASSI ( attr store1 < 0.923 and attr store1 > 0.883 )
( attr store1 < -0.344 and attr store1 > -0.424 )
6.0 0.1 0.1 peak 2001 volume 39.63020 ppm1 0.90300 ppm2 -0.38400
ASSI ( attr store1 < 0.879 and attr store1 > 0.839 )
( attr store1 < -0.333 and attr store1 > -0.413 )
6.0 0.1 0.1 peak 2002 volume 39.95610 ppm1 0.85900 ppm2 -0.37300
ASSI ( resid 37 and name HG12 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2003 weight 1.1 volume 246.35400 ppm1 0.76600 ppm2 -0.38200
ASSI ( attr store1 < 0.752 and attr store1 > 0.712 )
( attr store1 < -0.517 and attr store1 > -0.597 )
6.0 0.1 0.1 peak 2004 volume 82.55840 ppm1 0.73200 ppm2 -0.55700
ASSI ( resid 37 and name HG11 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 2005 weight 1.1 volume 532.15479 ppm1 1.06300 ppm2 0.52800
ASSI ( resid 38 and name HD11 )
( resid 38 and name HG21 )
6.0 0.1 0.1 peak 2006 weight 1.1 volume 892.88867 ppm1 0.86100 ppm2 0.52400
ASSI ( resid 20 and name HG12 )
( resid 59 and name HG21 )
6.0 0.1 0.1 peak 2007 weight 1.1 volume 109.84940 ppm1 0.95200 ppm2 0.63500
ASSI ( attr store1 < 0.924 and attr store1 > 0.884 )
( attr store1 < 0.674 and attr store1 > 0.594 )
6.0 0.1 0.1 peak 2008 volume 557.32562 ppm1 0.90400 ppm2 0.63400
ASSI ( resid 8 and name HD21 )
( resid 8 and name HD11 )
6.0 0.1 0.1 peak 2009 weight 1.1 volume 2860.07397 ppm1 0.86000 ppm2 0.74200
ASSI ( resid 37 and name HG12 )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 2010 weight 1.1 volume 726.89148 ppm1 0.77300 ppm2 0.53100
ASSI ( resid 15 and name HD11 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 2011 weight 1.1 volume 376.52200 ppm1 0.73400 ppm2 0.34500
ASSI ( resid 59 and name HD11 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 2012 weight 1.1 volume 398.63361 ppm1 0.70000 ppm2 0.35400
ASSI ( resid 59 and name HG21 )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 2013 weight 1.1 volume 117.73200 ppm1 0.63300 ppm2 0.28500
ASSI ( resid 59 and name HG21 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 2014 weight 1.1 volume 466.38559 ppm1 0.63400 ppm2 0.35300
ASSI ( resid 37 and name HD11 )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 2015 weight 1.1 volume 757.81097 ppm1 0.53100 ppm2 0.28100
ASSI ( resid 37 and name HD11 )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 2016 weight 1.1 volume 327.67340 ppm1 0.52400 ppm2 0.34800
ASSI ( resid 34 and name HG21 )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 2017 weight 1.1 volume 891.41821 ppm1 0.68900 ppm2 0.17100
ASSI ( attr store1 < 0.737 and attr store1 > 0.697 )
( attr store1 < 0.101 and attr store1 > 0.021 )
6.0 0.1 0.1 peak 2018 volume 212.97360 ppm1 0.71700 ppm2 0.06100
ASSI ( resid 14 and name HD11 )
( resid 14 and name HG12 )
6.0 0.1 0.1 peak 2019 weight 1.1 volume 373.54419 ppm1 0.50700 ppm2 0.12300
ASSI ( resid 14 and name HD11 )
( resid 14 and name HG21 )
6.0 0.1 0.1 peak 2020 weight 1.1 volume 1090.47534 ppm1 0.50700 ppm2 0.06200
ASSI ( resid 59 and name HG21 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2021 weight 1.1 volume 22.43620 ppm1 0.63700 ppm2 -0.38300
ASSI ( resid 37 and name HD11 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2022 weight 1.1 volume 845.71191 ppm1 0.53100 ppm2 -0.38000
ASSI ( resid 60 and name HG11 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2023 weight 1.1 volume 465.72290 ppm1 0.28100 ppm2 -0.38100
ASSI ( resid 60 and name HG21 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2024 weight 1.1 volume 88.30080 ppm1 0.34600 ppm2 -0.38100
ASSI ( resid 56 and name HG21 )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2025 weight 1.1 volume 246.81960 ppm1 0.30900 ppm2 -0.38100
ASSI ( resid 56 and name HG21 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 2026 weight 1.1 volume 601.78632 ppm1 0.31300 ppm2 -0.56000
ASSI ( resid 37 and name HD11 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 2027 weight 1.1 volume 12.54920 ppm1 0.53000 ppm2 -0.56100
ASSI ( resid 59 and name HG21 )
( resid 56 and name HG11 )
6.0 0.1 0.1 peak 2028 weight 1.1 volume 9.68530 ppm1 0.63400 ppm2 -0.55800
ASSI ( resid 60 and name HG21 )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 2029 weight 1.1 volume 982.80988 ppm1 0.34500 ppm2 0.27900
ASSI ( attr store1 < 0.371 and attr store1 > 0.331 )
( attr store1 < 0.108 and attr store1 > 0.028 )
6.0 0.1 0.1 peak 2030 volume 62.21760 ppm1 0.35100 ppm2 0.06800
ASSI ( resid 69 and name HN )
( resid 69 and name HB1 )
6.0 0.1 0.1 peak 2031 weight 1.1 volume 211.66570 ppm1 8.44300 ppm2 2.72500
ASSI ( resid 69 and name HN )
( resid 69 and name HB2 )
6.0 0.1 0.1 peak 2032 weight 1.1 volume 83.79090 ppm1 8.44300 ppm2 2.80600
ASSI ( resid 24 and name HN )
( resid 40 and name HN )
6.0 0.1 0.1 peak 2033 weight 1.1 volume 20.32600 ppm1 9.13200 ppm2 8.72100
ASSI ( resid 25 and name HN )
( resid 38 and name HN )
6.0 0.1 0.1 peak 2034 weight 1.1 volume 102.04440 ppm1 9.00000 ppm2 8.87600
ASSI ( resid 7 and name HN )
( resid 34 and name HD11 )
6.0 0.1 0.1 peak 2035 weight 1.1 volume 18.44000 ppm1 10.16900 ppm2 0.17000
ASSI ( resid 55 and name HN )
( resid 53 and name HA )
6.0 0.1 0.1 peak 2036 weight 1.1 volume 127.72100 ppm1 8.43800 ppm2 4.24100
ASSI ( resid 65 and name HN )
( resid 61 and name HA )
6.0 0.1 0.1 peak 2037 weight 1.1 volume 23.90700 ppm1 7.67600 ppm2 3.87300
ASSI ( attr store1 < 7.163 and attr store1 > 7.123 )
( attr store1 < 0.754 and attr store1 > 0.674 )
6.0 0.1 0.1 peak 2038 volume 299.08789 ppm1 7.14300 ppm2 0.71400
ASSI ( resid 55 and name HD1 )
( resid 53 and name HB1 )
6.0 0.1 0.1 peak 2039 weight 1.1 volume 293.56979 ppm1 7.57200 ppm2 1.82500
OR ( resid 53 and name HE21 )
( resid 53 and name HB1 )
ASSI ( resid 52 and name HN )
( resid 53 and name HG1 )
6.0 0.1 0.1 peak 2040 weight 1.1 volume 43.52650 ppm1 7.48800 ppm2 2.44800
ASSI ( resid 55 and name HZ3 )
( resid 20 and name HG12 )
6.0 0.1 0.1 peak 2041 weight 1.1 volume 26.88700 ppm1 6.52000 ppm2 0.95200
ASSI ( resid 14 and name HN )
( resid 15 and name HN )
6.0 0.1 0.1 peak 2042 weight 1.1 volume 27.17090 ppm1 7.65300 ppm2 5.52000
ASSI ( resid 57 and name HN )
( resid 54 and name HB )
6.0 0.1 0.1 peak 2043 weight 1.1 volume 159.88409 ppm1 7.51600 ppm2 3.62800
ASSI ( attr store1 < 7.527 and attr store1 > 7.487 )
( attr store1 < 1.459 and attr store1 > 1.379 )
6.0 0.1 0.1 peak 2044 volume 207.25200 ppm1 7.50700 ppm2 1.41900
ASSI ( resid 62 and name HN )
( resid 59 and name HB )
6.0 0.1 0.1 peak 2045 weight 1.1 volume 275.50421 ppm1 7.75300 ppm2 1.84100
OR ( resid 62 and name HN )
( resid 61 and name HB2 )
ASSI ( attr store1 < 4.374 and attr store1 > 4.334 )
( attr store1 < 4.865 and attr store1 > 4.785 )
6.0 0.1 0.1 peak 2046 volume 12.09460 ppm1 4.35400 ppm2 4.82500
ASSI ( resid 61 and name HN )
( resid 61 and name HB2 )
6.0 0.1 0.1 peak 2047 weight 1.1 volume 401.00739 ppm1 7.86300 ppm2 1.85100
ASSI ( resid 8 and name HN )
( resid 8 and name HG )
6.0 0.1 0.1 peak 2048 weight 1.1 volume 459.75381 ppm1 9.15800 ppm2 1.52300
ASSI ( resid 53 and name HN )
( resid 53 and name HB1 )
6.0 0.1 0.1 peak 2049 weight 1.1 volume 620.43011 ppm1 7.15600 ppm2 1.80700
ASSI ( resid 64 and name HB2 )
( resid 61 and name HA )
6.0 0.1 0.1 peak 2050 weight 1.1 volume 259.67050 ppm1 4.01300 ppm2 3.86700
OR ( resid 64 and name HB1 )
( resid 61 and name HA )
ASSI ( resid 17 and name HA )
( resid 17 and name HD1 )
6.0 0.1 0.1 peak 2051 weight 1.1 volume 254.32910 ppm1 3.97800 ppm2 3.84300
OR ( resid 17 and name HA )
( resid 17 and name HD2 )
ASSI ( attr store1 < 0.192 and attr store1 > 0.152 )
( attr store1 < 9.198 and attr store1 > 9.118 )
6.0 0.1 0.1 peak 2052 volume 41.23670 ppm1 0.17200 ppm2 9.15800
ASSI ( resid 26 and name HN )
( resid 25 and name HA )
6.0 0.1 0.1 peak 2053 weight 1.1 volume 728.93488 ppm1 8.78800 ppm2 4.66400
ASSI ( resid 29 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 2054 weight 1.1 volume 371.20251 ppm1 8.33700 ppm2 4.63500
ASSI ( resid 20 and name HN )
( resid 17 and name HA )
6.0 0.1 0.1 peak 2055 weight 1.1 volume 112.90200 ppm1 7.72000 ppm2 3.97700
ASSI ( attr store1 < 7.161 and attr store1 > 7.121 )
( attr store1 < 0.89 and attr store1 > 0.81 )
6.0 0.1 0.1 peak 2056 volume 298.87299 ppm1 7.14100 ppm2 0.85000
ASSI ( resid 45 and name HN )
( resid 45 and name HD21 )
6.0 0.1 0.1 peak 2057 weight 1.1 volume 129.05859 ppm1 7.16400 ppm2 0.89100
ASSI ( attr store1 < 7.201 and attr store1 > 7.161 )
( attr store1 < 0.901 and attr store1 > 0.821 )
6.0 0.1 0.1 peak 2058 volume 157.99950 ppm1 7.18100 ppm2 0.86100
ASSI ( resid 39 and name HE2 )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 2059 weight 1.1 volume 390.25830 ppm1 6.75000 ppm2 0.34600
OR ( resid 39 and name HE1 )
( resid 60 and name HG21 )
ASSI ( resid 26 and name HE22 )
( resid 6 and name HB1 )
6.0 0.1 0.1 peak 2060 weight 1.1 volume 372.68869 ppm1 7.10200 ppm2 2.86900
OR ( resid 26 and name HE22 )
( resid 7 and name HB1 )
ASSI ( resid 7 and name HN )
( resid 26 and name HE22 )
6.0 0.1 0.1 peak 2061 weight 1.1 volume 209.86079 ppm1 10.17000 ppm2 7.10100
ASSI ( resid 7 and name HN )
( resid 9 and name HN )
6.0 0.1 0.1 peak 2062 weight 1.1 volume 42.98140 ppm1 10.17000 ppm2 7.26100
ASSI ( attr store1 < 9.918 and attr store1 > 9.878 )
( attr store1 < 7.203 and attr store1 > 7.123 )
6.0 0.1 0.1 peak 2063 volume 113.41770 ppm1 9.89800 ppm2 7.16300
ASSI ( resid 55 and name HE1 )
( resid 55 and name HZ2 )
6.0 0.1 0.1 peak 2064 weight 1.1 volume 524.72260 ppm1 9.89700 ppm2 7.52600
ASSI ( resid 12 and name HN )
( resid 13 and name HN )
6.0 0.1 0.1 peak 2065 weight 1.1 volume 501.67419 ppm1 8.63200 ppm2 8.08800
ASSI ( resid 36 and name HN )
( resid 37 and name HD11 )
6.0 0.1 0.1 peak 2066 weight 1.1 volume 12.14330 ppm1 9.49500 ppm2 0.53100
ASSI ( resid 36 and name HN )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 2067 weight 1.1 volume 4.88240 ppm1 9.49500 ppm2 1.50100
OR ( resid 36 and name HN )
( resid 27 and name HB1 )
ASSI ( resid 36 and name HN )
( resid 51 and name HG2 )
6.0 0.1 0.1 peak 2068 weight 1.1 volume 7.31790 ppm1 9.49400 ppm2 1.57500
ASSI ( resid 24 and name HN )
( resid 37 and name HG21 )
6.0 0.1 0.1 peak 2069 weight 1.1 volume 102.12750 ppm1 9.13800 ppm2 -0.38000
ASSI ( resid 23 and name HN )
( resid 63 and name HD21 )
6.0 0.1 0.1 peak 2070 weight 1.1 volume 139.52020 ppm1 8.86900 ppm2 0.90700
ASSI ( resid 35 and name HN )
( resid 34 and name HG11 )
6.0 0.1 0.1 peak 2071 weight 1.1 volume 125.29310 ppm1 8.86300 ppm2 0.81800
ASSI ( resid 23 and name HN )
( resid 22 and name HA1 )
6.0 0.1 0.1 peak 2072 weight 1.1 volume 578.45111 ppm1 8.87100 ppm2 4.32100
ASSI ( resid 32 and name HB2 )
( resid 32 and name HA )
6.0 0.1 0.1 peak 2073 weight 1.1 volume 402.43051 ppm1 2.56700 ppm2 4.98000
ASSI ( resid 61 and name HB2 )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 2074 weight 1.1 volume 161.70160 ppm1 1.85800 ppm2 0.28200
OR ( resid 59 and name HB )
( resid 60 and name HG11 )
ASSI ( resid 57 and name HG2 )
( resid 57 and name HB1 )
6.0 0.1 0.1 peak 2075 weight 1.1 volume 429.72571 ppm1 1.23700 ppm2 1.71400
OR ( resid 57 and name HG2 )
( resid 57 and name HB2 )
OR ( resid 54 and name HG21 )
( resid 57 and name HB1 )
OR ( resid 54 and name HG21 )
( resid 57 and name HB2 )
ASSI ( resid 24 and name HG21 )
( resid 38 and name HB )
6.0 0.1 0.1 peak 2076 weight 1.1 volume 155.80170 ppm1 1.18600 ppm2 1.77000
ASSI ( resid 52 and name HG2 )
( resid 52 and name HD1 )
6.0 0.1 0.1 peak 2077 weight 1.1 volume 377.51779 ppm1 1.24600 ppm2 1.77800
OR ( resid 52 and name HG2 )
( resid 51 and name HB2 )
OR ( resid 52 and name HG2 )
( resid 56 and name HB )
OR ( resid 57 and name HG2 )
( resid 52 and name HD1 )
OR ( resid 57 and name HG2 )
( resid 51 and name HB2 )
OR ( resid 57 and name HG2 )
( resid 56 and name HB )
OR ( resid 49 and name HB1 )
( resid 52 and name HD1 )
OR ( resid 49 and name HB1 )
( resid 51 and name HB2 )
OR ( resid 49 and name HB1 )
( resid 56 and name HB )
ASSI ( resid 52 and name HG1 )
( resid 51 and name HB2 )
6.0 0.1 0.1 peak 2078 weight 1.1 volume 427.57660 ppm1 1.35900 ppm2 1.77900
OR ( resid 52 and name HG1 )
( resid 52 and name HD1 )
ASSI ( resid 63 and name HD11 )
( resid 63 and name HB1 )
6.0 0.1 0.1 peak 2079 weight 1.1 volume 929.81049 ppm1 0.84500 ppm2 1.94100
ASSI ( resid 63 and name HD21 )
( resid 63 and name HB1 )
6.0 0.1 0.1 peak 2080 weight 1.1 volume 857.68121 ppm1 0.90000 ppm2 1.94000
ASSI ( resid 38 and name HD11 )
( resid 38 and name HB )
6.0 0.1 0.1 peak 2081 weight 1.1 volume 508.00580 ppm1 0.86200 ppm2 1.77300
ASSI ( resid 60 and name HG21 )
( resid 60 and name HA )
6.0 0.1 0.1 peak 2082 weight 1.1 volume 486.97119 ppm1 0.34600 ppm2 2.92200
ASSI ( resid 56 and name HG21 )
( resid 56 and name HA )
6.0 0.1 0.1 peak 2083 weight 1.1 volume 390.74100 ppm1 0.31300 ppm2 2.88500
ASSI ( resid 60 and name HG11 )
( resid 60 and name HA )
6.0 0.1 0.1 peak 2084 weight 1.1 volume 576.41083 ppm1 0.28100 ppm2 2.92200
ASSI ( resid 20 and name HD11 )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 2085 weight 1.1 volume 63.45330 ppm1 0.35100 ppm2 2.78800
ASSI ( resid 20 and name HD11 )
( resid 39 and name HB1 )
6.0 0.1 0.1 peak 2086 weight 1.1 volume 184.55341 ppm1 0.35300 ppm2 3.02400
ASSI ( resid 34 and name HD11 )
( resid 9 and name HA1 )
6.0 0.1 0.1 peak 2087 weight 1.1 volume 199.04581 ppm1 0.17200 ppm2 3.24900
ASSI ( resid 14 and name HG21 )
( resid 55 and name HB2 )
6.0 0.1 0.1 peak 2088 weight 1.1 volume 125.62410 ppm1 0.06200 ppm2 3.16000
ASSI ( resid 34 and name HD11 )
( resid 9 and name HA2 )
6.0 0.1 0.1 peak 2089 weight 1.1 volume 140.69839 ppm1 0.17100 ppm2 3.62600
ASSI ( resid 14 and name HG21 )
( resid 55 and name HB1 )
6.0 0.1 0.1 peak 2090 weight 1.1 volume 151.97099 ppm1 0.06100 ppm2 3.56000
ASSI ( resid 60 and name HG11 )
( resid 57 and name HA )
6.0 0.1 0.1 peak 2091 weight 1.1 volume 184.41870 ppm1 0.28300 ppm2 3.58800
ASSI ( resid 20 and name HD11 )
( resid 19 and name HB2 )
6.0 0.1 0.1 peak 2092 weight 1.1 volume 183.09129 ppm1 0.34800 ppm2 3.58800
ASSI ( resid 59 and name HG21 )
( resid 59 and name HA )
6.0 0.1 0.1 peak 2093 weight 1.1 volume 418.53110 ppm1 0.63200 ppm2 3.44000
ASSI ( resid 59 and name HD11 )
( resid 59 and name HA )
6.0 0.1 0.1 peak 2094 weight 1.1 volume 404.33459 ppm1 0.70600 ppm2 3.44300
ASSI ( resid 6 and name HN )
( resid 26 and name HG2 )
6.0 0.1 0.1 peak 2095 weight 1.1 volume 200.62550 ppm1 8.02200 ppm2 2.19400
ASSI ( resid 46 and name HB1 )
( resid 45 and name HA )
6.0 0.1 0.1 peak 2096 weight 1.1 volume 10.65490 ppm1 3.69400 ppm2 4.63600
ASSI ( resid 41 and name HG1 )
( resid 41 and name HB )
6.0 0.1 0.1 peak 2097 weight 1.1 volume 665.06238 ppm1 1.16300 ppm2 4.64400
OR ( resid 41 and name HG21 )
( resid 41 and name HB )
ASSI ( resid 17 and name HA )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 2098 weight 1.1 volume 532.67682 ppm1 3.97700 ppm2 2.16100
ASSI ( resid 44 and name HA )
( resid 44 and name HN )
6.0 0.1 0.1 peak 2099 weight 1.1 volume 914.76892 ppm1 3.95600 ppm2 7.97400
ASSI ( resid 52 and name HA )
( resid 52 and name HN )
6.0 0.1 0.1 peak 2100 weight 1.1 volume 287.79199 ppm1 3.95500 ppm2 7.48900
ASSI ( resid 44 and name HA )
( resid 45 and name HN )
6.0 0.1 0.1 peak 2101 weight 1.1 volume 447.59360 ppm1 3.95600 ppm2 7.16000
OR ( resid 44 and name HA )
( resid 53 and name HN )
OR ( resid 52 and name HA )
( resid 45 and name HN )
OR ( resid 52 and name HA )
( resid 53 and name HN )
ASSI ( resid 25 and name HB2 )
( resid 37 and name HN )
6.0 0.1 0.1 peak 2102 weight 1.1 volume 296.54929 ppm1 1.69900 ppm2 8.46400
OR ( resid 25 and name HB1 )
( resid 37 and name HN )
ASSI ( resid 53 and name HE22 )
( resid 52 and name HB1 )
6.0 0.1 0.1 peak 2103 weight 1.1 volume 58.31080 ppm1 7.03900 ppm2 1.47700
OR ( resid 53 and name HE22 )
( resid 52 and name HB2 )
ASSI ( resid 50 and name HD21 )
( resid 51 and name HD1 )
6.0 0.1 0.1 peak 2104 weight 1.1 volume 319.25690 ppm1 6.86600 ppm2 4.03400
OR ( resid 10 and name HD1 )
( resid 51 and name HD1 )
OR ( resid 10 and name HD2 )
( resid 51 and name HD1 )
ASSI ( resid 19 and name HN )
( resid 18 and name HB1 )
6.0 0.1 0.1 peak 2105 weight 1.1 volume 166.97720 ppm1 7.76800 ppm2 1.50700
ASSI ( resid 43 and name HN )
( resid 42 and name HG1 )
6.0 0.1 0.1 peak 2106 weight 1.1 volume 316.35089 ppm1 7.69900 ppm2 1.48600
OR ( resid 43 and name HN )
( resid 43 and name HD1 )
OR ( resid 43 and name HN )
( resid 43 and name HD2 )
OR ( resid 43 and name HN )
( resid 42 and name HG2 )
OR ( resid 43 and name HN )
( resid 45 and name HG )
ASSI ( resid 65 and name HN )
( resid 65 and name HG1 )
6.0 0.1 0.1 peak 2107 weight 1.1 volume 179.67780 ppm1 7.67400 ppm2 1.43200
OR ( resid 65 and name HN )
( resid 65 and name HG2 )
ASSI ( resid 14 and name HN )
( resid 13 and name HG2 )
6.0 0.1 0.1 peak 2108 weight 1.1 volume 176.20959 ppm1 7.65800 ppm2 1.48800
ASSI ( resid 39 and name HD1 )
( resid 20 and name HD11 )
6.0 0.1 0.1 peak 2109 weight 1.1 volume 449.98431 ppm1 7.14400 ppm2 0.34000
OR ( resid 39 and name HD2 )
( resid 20 and name HD11 )
ASSI ( resid 8 and name HA )
( resid 8 and name HD11 )
6.0 0.1 0.1 peak 2110 weight 1.1 volume 438.39331 ppm1 4.29100 ppm2 0.74100
ASSI ( resid 23 and name HE1 )
( resid 60 and name HG11 )
6.0 0.1 0.1 peak 2111 weight 1.1 volume 523.70660 ppm1 7.10200 ppm2 0.27900
ASSI ( resid 23 and name HE1 )
( resid 60 and name HG21 )
6.0 0.1 0.1 peak 2112 weight 1.1 volume 600.33179 ppm1 7.10800 ppm2 0.34200
ASSI ( resid 20 and name HG21 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 2113 weight 1.1 volume 128.96510 ppm1 1.04700 ppm2 5.09600
ASSI ( resid 49 and name HB1 )
( resid 49 and name HA )
6.0 0.1 0.1 peak 2114 weight 1.1 volume 645.03772 ppm1 1.23800 ppm2 5.05200
ASSI ( resid 28 and name HB1 )
( resid 27 and name HA )
6.0 0.1 0.1 peak 2115 weight 1.1 volume 229.45380 ppm1 1.08800 ppm2 4.94200
ASSI ( resid 28 and name HB1 )
( resid 35 and name HA )
6.0 0.1 0.1 peak 2116 weight 1.1 volume 116.55510 ppm1 1.08900 ppm2 5.19800
ASSI ( resid 11 and name HG21 )
( resid 49 and name HA )
6.0 0.1 0.1 peak 2117 weight 1.1 volume 187.14540 ppm1 1.52500 ppm2 5.05300
ASSI ( resid 49 and name HB1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 2118 weight 1.1 volume 36.49010 ppm1 1.24100 ppm2 4.91700
ASSI ( resid 49 and name HB1 )
( resid 48 and name HA )
6.0 0.1 0.1 peak 2119 weight 1.1 volume 102.37420 ppm1 1.23600 ppm2 4.82500
ASSI ( resid 36 and name HB1 )
( resid 48 and name HA )
6.0 0.1 0.1 peak 2120 weight 1.1 volume 173.25510 ppm1 1.35400 ppm2 4.82400
ASSI ( resid 36 and name HB1 )
( resid 10 and name HA )
6.0 0.1 0.1 peak 2121 weight 1.1 volume 69.50700 ppm1 1.35500 ppm2 4.92600
ASSI ( resid 17 and name HG2 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 2122 weight 1.1 volume 79.33460 ppm1 1.92500 ppm2 4.89000
OR ( resid 17 and name HG1 )
( resid 16 and name HA )
ASSI ( resid 37 and name HG21 )
( resid 25 and name HA )
6.0 0.1 0.1 peak 2123 weight 1.1 volume 136.47960 ppm1 -0.38200 ppm2 4.67100
ASSI ( resid 37 and name HG21 )
( resid 39 and name HA )
6.0 0.1 0.1 peak 2124 weight 1.1 volume 73.00410 ppm1 -0.38100 ppm2 5.09400
ASSI ( attr store1 < -0.542 and attr store1 > -0.582 )
( attr store1 < 4.504 and attr store1 > 4.424 )
6.0 0.1 0.1 peak 2125 volume 28.28030 ppm1 -0.56200 ppm2 4.46400
ASSI ( resid 56 and name HG11 )
( resid 53 and name HA )
6.0 0.1 0.1 peak 2126 weight 1.1 volume 30.72880 ppm1 -0.55700 ppm2 4.23800
ASSI ( resid 37 and name HG21 )
( resid 37 and name HA )
6.0 0.1 0.1 peak 2127 weight 1.1 volume 440.08121 ppm1 -0.38000 ppm2 4.37600
ASSI ( resid 34 and name HD11 )
( resid 34 and name HA )
6.0 0.1 0.1 peak 2128 weight 1.1 volume 158.15950 ppm1 0.17100 ppm2 4.69000
ASSI ( resid 34 and name HD11 )
( resid 8 and name HA )
6.0 0.1 0.1 peak 2129 weight 1.1 volume 218.54849 ppm1 0.17100 ppm2 4.28900
ASSI ( attr store1 < 0.08 and attr store1 > 0.04 )
( attr store1 < 4.503 and attr store1 > 4.423 )
6.0 0.1 0.1 peak 2130 volume 54.87330 ppm1 0.06000 ppm2 4.46300
ASSI ( resid 38 and name HG21 )
( resid 38 and name HA )
6.0 0.1 0.1 peak 2131 weight 1.1 volume 805.98059 ppm1 0.52500 ppm2 4.67800
ASSI ( resid 38 and name HG21 )
( resid 48 and name HA )
6.0 0.1 0.1 peak 2132 weight 1.1 volume 99.46020 ppm1 0.52300 ppm2 4.82600
ASSI ( resid 14 and name HG21 )
( resid 16 and name HA )
6.0 0.1 0.1 peak 2133 weight 1.1 volume 29.78740 ppm1 0.06000 ppm2 4.88900
ASSI ( resid 34 and name HG21 )
( resid 34 and name HA )
6.0 0.1 0.1 peak 2134 weight 1.1 volume 585.31769 ppm1 0.68900 ppm2 4.68900
ASSI ( resid 37 and name HD11 )
( resid 37 and name HA )
6.0 0.1 0.1 peak 2135 weight 1.1 volume 752.90277 ppm1 0.53000 ppm2 4.37500
ASSI ( resid 20 and name HD11 )
( resid 20 and name HA )
6.0 0.1 0.1 peak 2136 weight 1.1 volume 269.40100 ppm1 0.35300 ppm2 4.24900
ASSI ( resid 21 and name HG21 )
( resid 21 and name HA )
6.0 0.1 0.1 peak 2137 weight 1.1 volume 420.72311 ppm1 0.72700 ppm2 4.46100
ASSI ( resid 8 and name HD11 )
( resid 7 and name HA )
6.0 0.1 0.1 peak 2138 weight 1.1 volume 53.08300 ppm1 0.74600 ppm2 4.57300
ASSI ( resid 34 and name HD11 )
( resid 6 and name HB1 )
6.0 0.1 0.1 peak 2139 weight 1.1 volume 83.15080 ppm1 0.17100 ppm2 2.84700
OR ( resid 34 and name HD11 )
( resid 7 and name HB1 )
ASSI ( attr store1 < 0.97344 and attr store1 > 0.93344 )
( attr store1 < 4.68741 and attr store1 > 4.60741 )
6.0 0.1 0.1 peak 2140 volume 82.17180 ppm1 0.95344 ppm2 4.64741
ASSI ( attr store1 < 1.374 and attr store1 > 1.334 )
( attr store1 < 4.071 and attr store1 > 3.991 )
6.0 0.1 0.1 peak 2141 volume 139.19890 ppm1 1.35400 ppm2 4.03100
ASSI ( attr store1 < -0.54 and attr store1 > -0.58 )
( attr store1 < 8.493 and attr store1 > 8.413 )
6.0 0.1 0.1 peak 2142 volume 140.59340 ppm1 -0.56000 ppm2 8.45300
ASSI ( resid 36 and name HB1 )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 2143 weight 1.1 volume 321.59250 ppm1 1.35400 ppm2 2.84700
ASSI ( resid 59 and name HD11 )
( resid 15 and name HG )
6.0 0.1 0.1 peak 2144 weight 1.1 volume 246.13341 ppm1 0.69800 ppm2 1.35100
ASSI ( resid 37 and name HG21 )
( resid 37 and name HG12 )
6.0 0.1 0.1 peak 2145 weight 1.1 volume 336.31161 ppm1 -0.37900 ppm2 0.77700
ASSI ( resid 14 and name HG21 )
( resid 59 and name HD11 )
6.0 0.1 0.1 peak 2146 weight 1.1 volume 173.37550 ppm1 0.06200 ppm2 0.71500
ASSI ( attr store1 < 0.086 and attr store1 > 0.046 )
( attr store1 < 0.39 and attr store1 > 0.31 )
6.0 0.1 0.1 peak 2147 volume 33.58390 ppm1 0.06600 ppm2 0.35000
ASSI ( resid 40 and name HA )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 2148 weight 1.1 volume 371.20810 ppm1 5.55400 ppm2 2.87200
OR ( resid 40 and name HA )
( resid 42 and name HE1 )
OR ( resid 40 and name HA )
( resid 42 and name HE2 )
ASSI ( resid 15 and name HN )
( resid 14 and name HB )
6.0 0.1 0.1 peak 2149 weight 1.1 volume 25.34150 ppm1 5.52000 ppm2 1.10100
ASSI ( resid 15 and name HN )
( resid 55 and name HZ3 )
6.0 0.1 0.1 peak 2150 weight 1.1 volume 16.57130 ppm1 5.51400 ppm2 6.51900
ASSI ( resid 55 and name HE3 )
( resid 15 and name HN )
6.0 0.1 0.1 peak 2151 weight 1.1 volume 70.56900 ppm1 7.35200 ppm2 5.52000
ASSI ( resid 15 and name HA )
( resid 55 and name HZ3 )
6.0 0.1 0.1 peak 2152 weight 1.1 volume 8.60650 ppm1 4.25800 ppm2 6.52000
ASSI ( attr store1 < 4.279 and attr store1 > 4.239 )
( attr store1 < 4.927 and attr store1 > 4.847 )
6.0 0.1 0.1 peak 2153 volume 6.41860 ppm1 4.25900 ppm2 4.88700
ASSI ( resid 15 and name HB1 )
( resid 15 and name HD11 )
6.0 0.1 0.1 peak 2154 weight 1.1 volume 180.25880 ppm1 1.28100 ppm2 0.72600
ASSI ( resid 51 and name HA )
( resid 51 and name HB1 )
6.0 0.1 0.1 peak 2155 weight 1.1 volume 745.61389 ppm1 3.83500 ppm2 2.07400
OR ( resid 51 and name HA )
( resid 17 and name HB2 )
OR ( resid 17 and name HD1 )
( resid 51 and name HB1 )
OR ( resid 17 and name HD1 )
( resid 17 and name HB2 )
OR ( resid 17 and name HD2 )
( resid 51 and name HB1 )
OR ( resid 17 and name HD2 )
( resid 17 and name HB2 )
ASSI ( resid 17 and name HD2 )
( resid 18 and name HN )
6.0 0.1 0.1 peak 2156 weight 1.1 volume 106.59570 ppm1 3.84500 ppm2 8.55300
OR ( resid 17 and name HD1 )
( resid 18 and name HN )
ASSI ( resid 59 and name HD11 )
( resid 17 and name HD1 )
6.0 0.1 0.1 peak 2157 weight 1.1 volume 243.23990 ppm1 0.70000 ppm2 3.84800
OR ( resid 59 and name HD11 )
( resid 17 and name HD2 )
ASSI ( resid 17 and name HA )
( resid 18 and name HN )
6.0 0.1 0.1 peak 2158 weight 1.1 volume 126.00960 ppm1 3.97700 ppm2 8.55300
ASSI ( resid 20 and name HG21 )
( resid 17 and name HA )
6.0 0.1 0.1 peak 2159 weight 1.1 volume 71.44840 ppm1 1.04600 ppm2 3.97800
ASSI ( attr store1 < 2.168 and attr store1 > 2.128 )
( attr store1 < 0.396 and attr store1 > 0.316 )
6.0 0.1 0.1 peak 2160 volume 19.93990 ppm1 2.14800 ppm2 0.35600
ASSI ( resid 17 and name HG2 )
( resid 17 and name HD2 )
6.0 0.1 0.1 peak 2161 weight 1.1 volume 676.85461 ppm1 1.92400 ppm2 3.84600
OR ( resid 17 and name HG2 )
( resid 17 and name HD1 )
OR ( resid 17 and name HG1 )
( resid 17 and name HD2 )
OR ( resid 17 and name HG1 )
( resid 17 and name HD1 )
ASSI ( resid 20 and name HB )
( resid 17 and name HA )
6.0 0.1 0.1 peak 2162 weight 1.1 volume 631.59259 ppm1 1.92200 ppm2 3.97600
OR ( resid 17 and name HG2 )
( resid 17 and name HA )
OR ( resid 17 and name HG1 )
( resid 17 and name HA )
ASSI ( resid 51 and name HD1 )
( resid 51 and name HG1 )
6.0 0.1 0.1 peak 2163 weight 1.1 volume 196.07899 ppm1 4.02200 ppm2 1.70400
ASSI ( resid 69 and name HN )
( resid 68 and name HN )
6.0 0.1 0.1 peak 2164 weight 1.1 volume 37.44780 ppm1 8.45200 ppm2 8.32500
ASSI ( resid 68 and name HN )
( resid 69 and name HN )
6.0 0.1 0.1 peak 2165 weight 1.1 volume 201.07471 ppm1 8.32200 ppm2 8.44900
ASSI ( resid 48 and name HN )
( resid 47 and name HN )
6.0 0.1 0.1 peak 2166 weight 1.1 volume 238.51540 ppm1 9.07600 ppm2 9.00500
ASSI ( resid 20 and name HN )
( resid 19 and name HN )
6.0 0.1 0.1 peak 2167 weight 1.1 volume 420.95349 ppm1 7.71500 ppm2 7.77800
ASSI ( resid 47 and name HB )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 2168 weight 1.1 volume 455.94711 ppm1 2.03400 ppm2 1.16700
OR ( resid 47 and name HB )
( resid 41 and name HG21 )
ASSI ( resid 15 and name HD11 )
( resid 47 and name HG11 )
6.0 0.1 0.1 peak 2169 weight 1.1 volume 388.72311 ppm1 0.73000 ppm2 1.16600
OR ( resid 15 and name HD11 )
( resid 41 and name HG21 )
ASSI ( resid 16 and name HN )
( resid 18 and name HN )
6.0 0.1 0.1 peak 2170 weight 1.1 volume 24.28420 ppm1 8.23100 ppm2 8.55200
ASSI ( resid 46 and name HN )
( resid 40 and name HA )
6.0 0.1 0.1 peak 2171 weight 1.1 volume 27.87520 ppm1 8.60300 ppm2 5.55200
ASSI ( resid 21 and name HN )
( resid 20 and name HN )
6.0 0.1 0.1 peak 2172 weight 1.1 volume 123.47570 ppm1 8.76900 ppm2 7.71800
ASSI ( resid 26 and name HN )
( resid 38 and name HN )
6.0 0.1 0.1 peak 2173 weight 1.1 volume 415.71350 ppm1 8.79000 ppm2 8.86600
ASSI ( resid 38 and name HN )
( resid 26 and name HN )
6.0 0.1 0.1 peak 2174 weight 1.1 volume 190.49110 ppm1 8.87300 ppm2 8.78500
ASSI ( resid 25 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 2175 weight 1.1 volume 17.47420 ppm1 9.00300 ppm2 5.90900
ASSI ( resid 63 and name HN )
( resid 61 and name HA )
6.0 0.1 0.1 peak 2176 weight 1.1 volume 142.42191 ppm1 8.26600 ppm2 3.86400
OR ( resid 60 and name HN )
( resid 61 and name HA )
ASSI ( resid 62 and name HB2 )
( resid 62 and name HA )
6.0 0.1 0.1 peak 2177 weight 1.1 volume 1140.42725 ppm1 1.58300 ppm2 3.92400
OR ( resid 62 and name HB1 )
( resid 62 and name HA )
ASSI ( resid 64 and name HN )
( resid 66 and name HN )
6.0 0.1 0.1 peak 2178 weight 1.1 volume 60.03150 ppm1 7.89200 ppm2 8.12200
ASSI ( resid 14 and name HN )
( resid 13 and name HN )
6.0 0.1 0.1 peak 2179 weight 1.1 volume 58.97160 ppm1 7.65600 ppm2 8.08300
ASSI ( attr store1 < 8.042 and attr store1 > 8.002 )
( attr store1 < 8.493 and attr store1 > 8.413 )
6.0 0.1 0.1 peak 2180 volume 33.85860 ppm1 8.02200 ppm2 8.45300
ASSI ( resid 32 and name HB2 )
( resid 26 and name HG1 )
6.0 0.1 0.1 peak 2181 weight 1.1 volume 198.44031 ppm1 2.56900 ppm2 2.24700
ASSI ( resid 50 and name HB2 )
( resid 50 and name HB1 )
6.0 0.1 0.1 peak 2182 weight 1.1 volume 248.50520 ppm1 2.72900 ppm2 3.12000
ASSI ( resid 53 and name HG1 )
( resid 50 and name HB2 )
6.0 0.1 0.1 peak 2183 weight 1.1 volume 101.58150 ppm1 2.43621 ppm2 2.74149
OR ( resid 53 and name HG1 )
( resid 50 and name HB1 )
ASSI ( resid 31 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 2184 weight 1.1 volume 31.25400 ppm1 8.20000 ppm2 4.63800
ASSI ( resid 13 and name HD1 )
( resid 13 and name HE )
6.0 0.1 0.1 peak 2185 weight 1.1 volume 194.80150 ppm1 3.06000 ppm2 7.06300
OR ( resid 13 and name HD2 )
( resid 13 and name HE )
ASSI ( resid 39 and name HZ )
( resid 60 and name HA )
6.0 0.1 0.1 peak 2186 weight 1.1 volume 92.94840 ppm1 6.90400 ppm2 2.93900
OR ( resid 39 and name HZ )
( resid 23 and name HB1 )
OR ( resid 40 and name HD2 )
( resid 60 and name HA )
OR ( resid 40 and name HD2 )
( resid 23 and name HB1 )
ASSI ( attr store1 < 1.74408 and attr store1 > 1.70408 )
( attr store1 < 7.74281 and attr store1 > 7.66281 )
6.0 0.1 0.1 peak 2187 volume 175.76160 ppm1 1.72408 ppm2 7.70281
ASSI ( resid 34 and name HD11 )
( resid 6 and name HB2 )
6.0 0.1 0.1 peak 2188 weight 1.1 volume 130.54350 ppm1 0.17113 ppm2 2.72234
OR ( resid 34 and name HD11 )
( resid 7 and name HB2 )
ASSI ( resid 26 and name HG1 )
( resid 26 and name HA )
6.0 0.1 0.1 peak 2189 weight 1.1 volume 523.50153 ppm1 2.22453 ppm2 4.62707
OR ( resid 26 and name HG2 )
( resid 26 and name HA )
ASSI ( resid 34 and name HB )
( resid 34 and name HA )
6.0 0.1 0.1 peak 2190 weight 1.1 volume 587.76459 ppm1 1.90449 ppm2 4.68908
ASSI ( resid 26 and name HB2 )
( resid 26 and name HA )
6.0 0.1 0.1 peak 2191 weight 1.1 volume 175.00909 ppm1 1.87517 ppm2 4.62329
ASSI ( resid 38 and name HB )
( resid 38 and name HA )
6.0 0.1 0.1 peak 2192 weight 1.1 volume 109.48220 ppm1 1.77328 ppm2 4.67833
OR ( resid 38 and name HB )
( resid 25 and name HA )
ASSI ( resid 25 and name HB2 )
( resid 25 and name HA )
6.0 0.1 0.1 peak 2193 weight 1.1 volume 478.92920 ppm1 1.69097 ppm2 4.65263
OR ( resid 25 and name HB1 )
( resid 25 and name HA )
ASSI ( resid 45 and name HB1 )
( resid 45 and name HA )
6.0 0.1 0.1 peak 2194 weight 1.1 volume 615.95111 ppm1 1.57478 ppm2 4.63899
OR ( resid 45 and name HB2 )
( resid 45 and name HA )
ASSI ( resid 8 and name HB1 )
( resid 7 and name HA )
6.0 0.1 0.1 peak 2195 weight 1.1 volume 146.88029 ppm1 1.57927 ppm2 4.56754
OR ( resid 8 and name HB2 )
( resid 7 and name HA )
ASSI ( resid 45 and name HG )
( resid 45 and name HA )
6.0 0.1 0.1 peak 2196 weight 1.1 volume 405.63580 ppm1 1.48966 ppm2 4.63569
OR ( resid 45 and name HG )
( resid 26 and name HA )
OR ( resid 45 and name HG )
( resid 41 and name HB )
OR ( resid 27 and name HB2 )
( resid 45 and name HA )
OR ( resid 27 and name HB2 )
( resid 26 and name HA )
OR ( resid 27 and name HB2 )
( resid 41 and name HB )
OR ( resid 42 and name HG1 )
( resid 45 and name HA )
OR ( resid 42 and name HG1 )
( resid 26 and name HA )
OR ( resid 42 and name HG1 )
( resid 41 and name HB )
ASSI ( resid 36 and name HB1 )
( resid 36 and name HA )
6.0 0.1 0.1 peak 2197 weight 1.1 volume 313.55850 ppm1 1.35478 ppm2 4.67124
OR ( resid 36 and name HB1 )
( resid 50 and name HA )
OR ( resid 52 and name HG1 )
( resid 36 and name HA )
OR ( resid 52 and name HG1 )
( resid 50 and name HA )
ASSI ( resid 28 and name HB1 )
( resid 34 and name HA )
6.0 0.1 0.1 peak 2198 weight 1.1 volume 273.35840 ppm1 1.08852 ppm2 4.68822
ASSI ( resid 28 and name HB1 )
( resid 33 and name HA )
6.0 0.1 0.1 peak 2199 weight 1.1 volume 166.71091 ppm1 1.08930 ppm2 4.63322
ASSI ( resid 28 and name HB1 )
( resid 29 and name HA )
6.0 0.1 0.1 peak 2200 weight 1.1 volume 69.35080 ppm1 1.08783 ppm2 4.55379
ASSI ( resid 38 and name HG12 )
( resid 38 and name HA )
6.0 0.1 0.1 peak 2201 weight 1.1 volume 221.96680 ppm1 1.02136 ppm2 4.68654
OR ( resid 38 and name HG11 )
( resid 38 and name HA )
ASSI ( resid 45 and name HD11 )
( resid 45 and name HA )
6.0 0.1 0.1 peak 2202 weight 1.1 volume 561.84021 ppm1 0.84513 ppm2 4.63597
ASSI ( resid 38 and name HD11 )
( resid 38 and name HA )
6.0 0.1 0.1 peak 2203 weight 1.1 volume 328.32111 ppm1 0.86620 ppm2 4.69378
ASSI ( attr store1 < 0.88427 and attr store1 > 0.84427 )
( attr store1 < 4.6041 and attr store1 > 4.5241 )
6.0 0.1 0.1 peak 2204 volume 61.42800 ppm1 0.86427 ppm2 4.56410
ASSI ( resid 45 and name HD21 )
( resid 45 and name HA )
6.0 0.1 0.1 peak 2205 weight 1.1 volume 303.11649 ppm1 0.88774 ppm2 4.63475
Contact the webmaster for help, if required. Wednesday, May 22, 2024 7:34:57 AM GMT (wattos1)