NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
571714 |
2mjk   |
19729 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! derived from the 2D file(s):
! /home/meudal/Galline/Aria/noes-h2o-080710.xpk
ASSI ( resid 22 and name HN )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 0 weight 0.11000E+01 volume 1307.01147 ppm1 9.2213755 ppm2 9.5697393
ASSI ( resid 34 and name HN )
( resid 21 and name HN )
6.0 0.1 0.1 peak 1 weight 0.11000E+01 volume 6879.55225 ppm1 8.7843304 ppm2 9.1670141
ASSI ( resid 36 and name HN )
( resid 21 and name HN )
6.0 0.1 0.1 peak 2 weight 0.11000E+01 volume 886.19489 ppm1 8.6222973 ppm2 9.1648417
ASSI ( resid 33 and name HN )
( resid 32 and name HN )
6.0 0.1 0.1 peak 3 weight 0.11000E+01 volume 1437.67944 ppm1 8.6613445 ppm2 8.8652821
ASSI ( resid 24 and name HN )
( resid 3 and name HN )
6.0 0.1 0.1 peak 4 weight 0.11000E+01 volume 1635.46729 ppm1 8.5770111 ppm2 8.8300629
ASSI ( resid 23 and name HN )
( resid 22 and name HN )
6.0 0.1 0.1 peak 5 weight 0.11000E+01 volume 1071.12354 ppm1 8.1252909 ppm2 9.2205410
ASSI ( resid 23 and name HN )
( resid 32 and name HN )
6.0 0.1 0.1 peak 6 weight 0.11000E+01 volume 2478.91821 ppm1 8.1214800 ppm2 8.8786983
ASSI ( resid 23 and name HN )
( resid 34 and name HN )
6.0 0.1 0.1 peak 7 weight 0.11000E+01 volume 1244.75977 ppm1 8.1264715 ppm2 8.7856913
ASSI ( resid 19 and name HN )
( resid 18 and name HN )
6.0 0.1 0.1 peak 8 weight 0.11000E+01 volume 1505.63281 ppm1 8.0554800 ppm2 8.7948446
ASSI ( resid 38 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 9 weight 0.11000E+01 volume 591.52661 ppm1 8.0648260 ppm2 8.6254969
ASSI ( resid 23 and name HN )
( resid 24 and name HN )
6.0 0.1 0.1 peak 10 weight 0.11000E+01 volume 609.57593 ppm1 8.1163979 ppm2 8.5807629
ASSI ( resid 37 and name HN )
( resid 36 and name HN )
6.0 0.1 0.1 peak 11 weight 0.11000E+01 volume 8158.54785 ppm1 7.7708960 ppm2 8.6236868
ASSI ( resid 14 and name HD21 )
( resid 14 and name HN )
6.0 0.1 0.1 peak 12 weight 0.11000E+01 volume 873.24158 ppm1 7.7356143 ppm2 8.7243214
ASSI ( resid 15 and name HN )
( resid 14 and name HN )
6.0 0.1 0.1 peak 13 weight 0.11000E+01 volume 9769.28906 ppm1 7.6402817 ppm2 8.7243214
ASSI ( resid 40 and name HE3 )
( resid 38 and name HE1 )
6.0 0.1 0.1 peak 14 weight 0.11000E+01 volume 1057.09607 ppm1 7.7209477 ppm2 9.6083984
ASSI ( resid 40 and name HZ2 )
( resid 40 and name HE1 )
6.0 0.1 0.1 peak 15 weight 0.11000E+01 volume 7949.79248 ppm1 7.5152583 ppm2 10.2159300
ASSI ( resid 40 and name HD1 )
( resid 40 and name HE1 )
6.0 0.1 0.1 peak 16 weight 0.11000E+01 volume 20207.01953 ppm1 7.2438927 ppm2 10.2157288
ASSI ( resid 22 and name HD1 )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 17 weight 0.11000E+01 volume 27099.14062 ppm1 7.3698797 ppm2 9.5720425
ASSI ( resid 38 and name HZ2 )
( resid 38 and name HE1 )
6.0 0.1 0.1 peak 18 weight 0.11000E+01 volume 10737.26172 ppm1 7.3405290 ppm2 9.6157084
ASSI ( resid 22 and name HZ2 )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 19 weight 0.11000E+01 volume 11980.75977 ppm1 7.2862139 ppm2 9.5690231
ASSI ( resid 22 and name HH2 )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 20 weight 0.11000E+01 volume 3105.05420 ppm1 7.2431707 ppm2 9.5720425
ASSI ( resid 22 and name HD1 )
( resid 22 and name HN )
6.0 0.1 0.1 peak 21 weight 0.11000E+01 volume 27028.60742 ppm1 7.3707809 ppm2 9.2212219
ASSI ( resid 20 and name HN )
( resid 21 and name HN )
6.0 0.1 0.1 peak 22 weight 0.11000E+01 volume 1223.25708 ppm1 7.2619772 ppm2 9.1615572
ASSI ( resid 11 and name HN )
( resid 12 and name HN )
6.0 0.1 0.1 peak 23 weight 0.11000E+01 volume 875.63501 ppm1 7.2352600 ppm2 8.9534693
ASSI ( resid 5 and name HN )
( resid 4 and name HN )
6.0 0.1 0.1 peak 24 weight 0.11000E+01 volume 3493.17529 ppm1 7.1984963 ppm2 8.9473724
ASSI ( resid 31 and name HD1 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 25 weight 0.11000E+01 volume 4229.76660 ppm1 6.9992404 ppm2 8.8748178
OR ( resid 31 and name HD2 )
( resid 32 and name HN )
ASSI ( resid 11 and name HN )
( resid 33 and name HN )
6.0 0.1 0.1 peak 26 weight 0.11000E+01 volume 5512.35254 ppm1 7.2285557 ppm2 8.6578979
ASSI ( resid 9 and name HN )
( resid 8 and name HN )
6.0 0.1 0.1 peak 27 weight 0.11000E+01 volume 3658.80371 ppm1 7.1710844 ppm2 8.7046328
ASSI ( resid 38 and name HD1 )
( resid 38 and name HE1 )
6.0 0.1 0.1 peak 28 weight 0.11000E+01 volume 18353.08594 ppm1 6.8735151 ppm2 9.6135035
ASSI ( resid 5 and name HD1 )
( resid 6 and name HN )
6.0 0.1 0.1 peak 29 weight 0.11000E+01 volume 1803.10120 ppm1 6.8508177 ppm2 9.1535063
ASSI ( resid 11 and name HD2 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 30 weight 0.11000E+01 volume 3391.10498 ppm1 6.8364601 ppm2 8.9537649
OR ( resid 11 and name HD1 )
( resid 12 and name HN )
ASSI ( resid 5 and name HD1 )
( resid 8 and name HN )
6.0 0.1 0.1 peak 31 weight 0.11000E+01 volume 2497.22754 ppm1 6.8497462 ppm2 8.6935463
OR ( resid 5 and name HE1 )
( resid 8 and name HN )
ASSI ( resid 37 and name HN )
( resid 38 and name HN )
6.0 0.1 0.1 peak 32 weight 0.11000E+01 volume 11104.09863 ppm1 7.7716141 ppm2 8.0730343
ASSI ( resid 9 and name HN )
( resid 10 and name HN )
6.0 0.1 0.1 peak 33 weight 0.11000E+01 volume 12485.32617 ppm1 7.1704578 ppm2 8.2358475
ASSI ( resid 39 and name HN )
( resid 38 and name HN )
6.0 0.1 0.1 peak 34 weight 0.11000E+01 volume 3142.49927 ppm1 7.1897192 ppm2 8.0719080
ASSI ( resid 20 and name HN )
( resid 19 and name HN )
6.0 0.1 0.1 peak 35 weight 0.11000E+01 volume 7157.99561 ppm1 7.2597432 ppm2 8.0553093
ASSI ( resid 38 and name HE3 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 36 weight 0.11000E+01 volume 2015.76160 ppm1 7.3726468 ppm2 8.0754213
ASSI ( resid 31 and name HD2 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 37 weight 0.11000E+01 volume 1514.34119 ppm1 6.9977474 ppm2 8.1221533
ASSI ( resid 38 and name HZ2 )
( resid 40 and name HE3 )
6.0 0.1 0.1 peak 38 weight 0.11000E+01 volume 2305.27197 ppm1 7.3386426 ppm2 7.7112241
ASSI ( resid 41 and name HN )
( resid 40 and name HN )
6.0 0.1 0.1 peak 39 weight 0.11000E+01 volume 6676.42139 ppm1 7.2947378 ppm2 7.6662073
ASSI ( resid 40 and name HZ3 )
( resid 40 and name HE3 )
6.0 0.1 0.1 peak 40 weight 0.11000E+01 volume 25224.53320 ppm1 7.2014141 ppm2 7.7145391
ASSI ( resid 40 and name HH2 )
( resid 40 and name HZ2 )
6.0 0.1 0.1 peak 41 weight 0.11000E+01 volume 19928.52930 ppm1 7.1640964 ppm2 7.5186901
ASSI ( resid 20 and name HE22 )
( resid 20 and name HE21 )
6.0 0.1 0.1 peak 42 weight 0.11000E+01 volume 85604.12500 ppm1 6.9910421 ppm2 7.6421609
OR ( resid 20 and name HE22 )
( resid 15 and name HN )
OR ( resid 14 and name HD22 )
( resid 20 and name HE21 )
OR ( resid 14 and name HD22 )
( resid 15 and name HN )
OR ( resid 31 and name HD1 )
( resid 20 and name HE21 )
OR ( resid 31 and name HD1 )
( resid 15 and name HN )
OR ( resid 31 and name HE1 )
( resid 20 and name HE21 )
OR ( resid 31 and name HE1 )
( resid 15 and name HN )
ASSI ( resid 14 and name HD22 )
( resid 14 and name HD21 )
6.0 0.1 0.1 peak 43 weight 0.11000E+01 volume 117926.04688 ppm1 6.9795728 ppm2 7.7337685
ASSI ( resid 38 and name HH2 )
( resid 40 and name HE3 )
6.0 0.1 0.1 peak 44 weight 0.11000E+01 volume 3227.94116 ppm1 7.0703530 ppm2 7.7166910
ASSI ( resid 31 and name HD1 )
( resid 31 and name HN )
6.0 0.1 0.1 peak 45 weight 0.11000E+01 volume 5465.28760 ppm1 7.0018821 ppm2 7.8543296
OR ( resid 31 and name HE1 )
( resid 31 and name HN )
OR ( resid 31 and name HD2 )
( resid 31 and name HN )
OR ( resid 31 and name HE2 )
( resid 31 and name HN )
ASSI ( resid 11 and name HD1 )
( resid 20 and name HE21 )
6.0 0.1 0.1 peak 46 weight 0.11000E+01 volume 8093.98975 ppm1 6.8479795 ppm2 7.6618643
OR ( resid 11 and name HD2 )
( resid 20 and name HE21 )
ASSI ( resid 38 and name HH2 )
( resid 38 and name HZ2 )
6.0 0.1 0.1 peak 47 weight 0.11000E+01 volume 35234.27344 ppm1 7.0654445 ppm2 7.3383737
ASSI ( resid 38 and name HZ3 )
( resid 38 and name HE3 )
6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 32169.21484 ppm1 6.9122434 ppm2 7.3700237
ASSI ( resid 38 and name HD1 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 49 weight 0.11000E+01 volume 1687.82886 ppm1 6.8738523 ppm2 8.0700359
ASSI ( resid 11 and name HE1 )
( resid 20 and name HE21 )
6.0 0.1 0.1 peak 50 weight 0.11000E+01 volume 4725.39502 ppm1 6.7210913 ppm2 7.6416545
OR ( resid 11 and name HE2 )
( resid 20 and name HE21 )
ASSI ( resid 11 and name HE1 )
( resid 11 and name HN )
6.0 0.1 0.1 peak 51 weight 0.11000E+01 volume 1625.71997 ppm1 6.7231193 ppm2 7.2370853
OR ( resid 11 and name HE2 )
( resid 11 and name HN )
ASSI ( resid 22 and name HZ3 )
( resid 22 and name HH2 )
6.0 0.1 0.1 peak 52 weight 0.11000E+01 volume 33292.82031 ppm1 6.9224429 ppm2 7.2359099
OR ( resid 22 and name HZ3 )
( resid 40 and name HD1 )
OR ( resid 38 and name HZ3 )
( resid 22 and name HH2 )
OR ( resid 38 and name HZ3 )
( resid 40 and name HD1 )
ASSI ( resid 11 and name HD1 )
( resid 11 and name HN )
6.0 0.1 0.1 peak 53 weight 0.11000E+01 volume 7511.03320 ppm1 6.8380284 ppm2 7.2223964
OR ( resid 11 and name HD2 )
( resid 11 and name HN )
ASSI ( resid 38 and name HD1 )
( resid 39 and name HN )
6.0 0.1 0.1 peak 54 weight 0.11000E+01 volume 8371.57129 ppm1 6.8652344 ppm2 7.1933227
ASSI ( resid 11 and name HE2 )
( resid 20 and name HE22 )
6.0 0.1 0.1 peak 55 weight 0.11000E+01 volume 7968.18750 ppm1 6.7158899 ppm2 6.9848108
OR ( resid 11 and name HE1 )
( resid 20 and name HE22 )
ASSI ( resid 38 and name HZ3 )
( resid 38 and name HH2 )
6.0 0.1 0.1 peak 56 weight 0.11000E+01 volume 27820.35938 ppm1 6.9129539 ppm2 7.0739923
ASSI ( resid 11 and name HE1 )
( resid 11 and name HD1 )
6.0 0.1 0.1 peak 57 weight 0.11000E+01 volume 72998.96875 ppm1 6.7234650 ppm2 6.8364272
OR ( resid 11 and name HE1 )
( resid 11 and name HD2 )
OR ( resid 11 and name HE2 )
( resid 11 and name HD1 )
OR ( resid 11 and name HE2 )
( resid 11 and name HD2 )
ASSI ( resid 12 and name HN )
( resid 12 and name HA )
6.0 0.1 0.1 peak 58 weight 0.11000E+01 volume 4918.15918 ppm1 8.9608307 ppm2 5.8977637
ASSI ( resid 29 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 59 weight 0.11000E+01 volume 4706.68359 ppm1 9.0206842 ppm2 5.1401081
ASSI ( resid 33 and name HN )
( resid 12 and name HA )
6.0 0.1 0.1 peak 60 weight 0.11000E+01 volume 3690.28003 ppm1 8.6572866 ppm2 5.8973498
ASSI ( resid 25 and name HN )
( resid 25 and name HA )
6.0 0.1 0.1 peak 61 weight 0.11000E+01 volume 2778.92163 ppm1 9.5385027 ppm2 5.0948272
ASSI ( resid 22 and name HN )
( resid 22 and name HA )
6.0 0.1 0.1 peak 62 weight 0.11000E+01 volume 6296.74512 ppm1 9.2203941 ppm2 4.8939652
OR ( resid 22 and name HN )
( resid 33 and name HA )
ASSI ( resid 6 and name HN )
( resid 6 and name HA )
6.0 0.1 0.1 peak 63 weight 0.11000E+01 volume 4734.64014 ppm1 9.1518288 ppm2 5.0435066
ASSI ( resid 32 and name HN )
( resid 32 and name HA )
6.0 0.1 0.1 peak 64 weight 0.11000E+01 volume 3238.43848 ppm1 8.8685942 ppm2 4.8788714
ASSI ( resid 12 and name HN )
( resid 11 and name HA )
6.0 0.1 0.1 peak 65 weight 0.11000E+01 volume 24418.99219 ppm1 8.9543886 ppm2 4.7625613
ASSI ( resid 32 and name HN )
( resid 31 and name HA )
6.0 0.1 0.1 peak 66 weight 0.11000E+01 volume 27389.96875 ppm1 8.8770609 ppm2 5.1180482
ASSI ( resid 3 and name HN )
( resid 25 and name HA )
6.0 0.1 0.1 peak 67 weight 0.11000E+01 volume 10473.95996 ppm1 8.8245268 ppm2 5.0927186
ASSI ( resid 34 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 68 weight 0.11000E+01 volume 45868.25391 ppm1 8.7827168 ppm2 4.8974481
OR ( resid 34 and name HN )
( resid 22 and name HA )
ASSI ( resid 33 and name HN )
( resid 33 and name HA )
6.0 0.1 0.1 peak 69 weight 0.11000E+01 volume 17040.59180 ppm1 8.6587582 ppm2 4.8883176
OR ( resid 33 and name HN )
( resid 32 and name HA )
OR ( resid 33 and name HN )
( resid 22 and name HA )
ASSI ( resid 24 and name HN )
( resid 23 and name HA )
6.0 0.1 0.1 peak 70 weight 0.11000E+01 volume 10598.21875 ppm1 8.5772858 ppm2 4.8585143
ASSI ( resid 14 and name HN )
( resid 14 and name HA )
6.0 0.1 0.1 peak 71 weight 0.11000E+01 volume 2060.11060 ppm1 8.7209597 ppm2 4.7574821
ASSI ( resid 34 and name HN )
( resid 34 and name HA )
6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 7268.21436 ppm1 8.7772036 ppm2 4.7039013
ASSI ( resid 14 and name HN )
( resid 13 and name HA )
6.0 0.1 0.1 peak 73 weight 0.11000E+01 volume 14055.90430 ppm1 8.7201061 ppm2 4.6882629
ASSI ( resid 18 and name HN )
( resid 17 and name HA )
6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 16858.10156 ppm1 8.7927446 ppm2 4.6375809
ASSI ( resid 3 and name HN )
( resid 3 and name HA )
6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 8250.34375 ppm1 8.8226500 ppm2 4.5921946
ASSI ( resid 32 and name HN )
( resid 24 and name HA )
6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 6936.50781 ppm1 8.8769236 ppm2 4.6828399
ASSI ( resid 33 and name HN )
( resid 10 and name HA1 )
6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 3258.99463 ppm1 8.6637182 ppm2 4.6576681
ASSI ( resid 36 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 78 weight 0.11000E+01 volume 8268.70605 ppm1 8.6216431 ppm2 4.5770407
OR ( resid 36 and name HN )
( resid 19 and name HB )
ASSI ( resid 36 and name HN )
( resid 35 and name HA )
6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 39831.75781 ppm1 8.6227865 ppm2 4.6198182
ASSI ( resid 24 and name HN )
( resid 24 and name HA )
6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 6514.31689 ppm1 8.5772858 ppm2 4.6828399
ASSI ( resid 8 and name HN )
( resid 7 and name HA )
6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 20149.41211 ppm1 8.7031670 ppm2 4.5241055
ASSI ( resid 4 and name HN )
( resid 3 and name HA )
6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 10079.11230 ppm1 8.9464684 ppm2 4.5945282
ASSI ( resid 6 and name HN )
( resid 5 and name HA )
6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 16018.93262 ppm1 9.1535063 ppm2 4.6480966
ASSI ( resid 21 and name HN )
( resid 20 and name HA )
6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 29438.87109 ppm1 9.1646338 ppm2 4.5726690
ASSI ( resid 25 and name HN )
( resid 24 and name HA )
6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 17648.47461 ppm1 9.5408859 ppm2 4.6816154
ASSI ( resid 22 and name HE1 )
( resid 18 and name HA )
6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 3687.30151 ppm1 9.5690355 ppm2 4.3998809
ASSI ( resid 25 and name HN )
( resid 24 and name HB )
6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 4676.48242 ppm1 9.5424433 ppm2 4.2159390
ASSI ( resid 22 and name HN )
( resid 21 and name HA )
6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 52484.22266 ppm1 9.2215576 ppm2 4.2649040
ASSI ( resid 21 and name HN )
( resid 21 and name HA )
6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 7057.34766 ppm1 9.1627169 ppm2 4.2684011
ASSI ( resid 21 and name HN )
( resid 36 and name HA )
6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 1565.49304 ppm1 9.1652546 ppm2 4.1664596
ASSI ( resid 3 and name HN )
( resid 2 and name HA )
6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 40182.28906 ppm1 8.8232355 ppm2 4.4290795
ASSI ( resid 18 and name HN )
( resid 18 and name HA )
6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 8728.60156 ppm1 8.7936935 ppm2 4.4021802
ASSI ( resid 2 and name HN )
( resid 2 and name HA )
6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 3826.70508 ppm1 8.6571198 ppm2 4.4306703
ASSI ( resid 24 and name HN )
( resid 2 and name HA )
6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 5928.06543 ppm1 8.5757227 ppm2 4.4306574
ASSI ( resid 24 and name HN )
( resid 24 and name HB )
6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 9593.70312 ppm1 8.5779600 ppm2 4.2158756
ASSI ( resid 8 and name HN )
( resid 8 and name HA )
6.0 0.1 0.1 peak 96 weight 0.11000E+01 volume 9154.95508 ppm1 8.7030611 ppm2 4.1430182
ASSI ( resid 18 and name HN )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 7463.39551 ppm1 8.7923021 ppm2 4.0756297
ASSI ( resid 36 and name HN )
( resid 36 and name HA )
6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 12661.60938 ppm1 8.6226959 ppm2 4.1715832
ASSI ( resid 17 and name HN )
( resid 16 and name HA )
6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 1555.92896 ppm1 8.3762283 ppm2 4.8743744
ASSI ( resid 17 and name HN )
( resid 17 and name HA )
6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 5696.54883 ppm1 8.3734255 ppm2 4.6370068
ASSI ( resid 10 and name HN )
( resid 10 and name HA1 )
6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 13556.83691 ppm1 8.2387962 ppm2 4.6536083
ASSI ( resid 10 and name HN )
( resid 9 and name HA )
6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 5717.69189 ppm1 8.2327576 ppm2 4.3414187
ASSI ( resid 10 and name HN )
( resid 8 and name HA )
6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 3797.39771 ppm1 8.2372837 ppm2 4.1420617
ASSI ( resid 17 and name HN )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 4017.32910 ppm1 8.3803129 ppm2 4.0756092
ASSI ( resid 19 and name HN )
( resid 17 and name HB1 )
6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 788.96399 ppm1 8.0533628 ppm2 4.0708137
ASSI ( resid 38 and name HN )
( resid 37 and name HB1 )
6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 736.49463 ppm1 8.0728474 ppm2 4.1066566
ASSI ( resid 38 and name HN )
( resid 37 and name HA )
6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 6555.63477 ppm1 8.0712156 ppm2 4.2799621
ASSI ( resid 38 and name HN )
( resid 36 and name HA )
6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 2725.95679 ppm1 8.0728474 ppm2 4.1704860
ASSI ( resid 38 and name HN )
( resid 38 and name HA )
6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 13145.97461 ppm1 8.0721149 ppm2 4.2170863
ASSI ( resid 19 and name HN )
( resid 18 and name HA )
6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 7327.30859 ppm1 8.0549517 ppm2 4.4004483
ASSI ( resid 19 and name HN )
( resid 19 and name HA )
6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 8296.53027 ppm1 8.0579653 ppm2 4.4713092
ASSI ( resid 19 and name HN )
( resid 19 and name HB )
6.0 0.1 0.1 peak 112 weight 0.11000E+01 volume 1517.53650 ppm1 8.0574579 ppm2 4.5857987
ASSI ( resid 26 and name HN )
( resid 26 and name HA )
6.0 0.1 0.1 peak 113 weight 0.11000E+01 volume 5863.46289 ppm1 7.8451443 ppm2 4.4970646
ASSI ( resid 23 and name HN )
( resid 22 and name HA )
6.0 0.1 0.1 peak 114 weight 0.11000E+01 volume 29571.95898 ppm1 8.1232929 ppm2 4.8867106
OR ( resid 23 and name HN )
( resid 33 and name HA )
OR ( resid 23 and name HN )
( resid 32 and name HA )
ASSI ( resid 26 and name HN )
( resid 25 and name HA )
6.0 0.1 0.1 peak 115 weight 0.11000E+01 volume 11844.81348 ppm1 7.8459015 ppm2 5.0959311
ASSI ( resid 28 and name HN )
( resid 28 and name HA )
6.0 0.1 0.1 peak 116 weight 0.11000E+01 volume 7672.12646 ppm1 7.3292098 ppm2 5.1379437
ASSI ( resid 22 and name HD1 )
( resid 22 and name HA )
6.0 0.1 0.1 peak 117 weight 0.11000E+01 volume 4534.49805 ppm1 7.3717566 ppm2 4.8931193
ASSI ( resid 15 and name HN )
( resid 14 and name HA )
6.0 0.1 0.1 peak 118 weight 0.11000E+01 volume 1988.11768 ppm1 7.6424270 ppm2 4.7556286
ASSI ( resid 15 and name HN )
( resid 13 and name HA )
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ASSI ( resid 37 and name HN )
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ASSI ( resid 15 and name HN )
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ASSI ( resid 40 and name HN )
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ASSI ( resid 37 and name HN )
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ASSI ( resid 37 and name HN )
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ASSI ( resid 40 and name HE3 )
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ASSI ( resid 40 and name HN )
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ASSI ( resid 15 and name HN )
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ASSI ( resid 15 and name HN )
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ASSI ( resid 38 and name HE3 )
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OR ( resid 41 and name HN )
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OR ( resid 22 and name HZ2 )
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OR ( resid 22 and name HZ2 )
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OR ( resid 40 and name HZ3 )
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ASSI ( resid 22 and name HZ2 )
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ASSI ( resid 39 and name HN )
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ASSI ( resid 40 and name HD1 )
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ASSI ( resid 41 and name HN )
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ASSI ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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ASSI ( resid 22 and name HH2 )
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ASSI ( resid 28 and name HN )
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ASSI ( resid 20 and name HN )
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OR ( resid 20 and name HN )
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ASSI ( resid 5 and name HN )
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ASSI ( resid 5 and name HN )
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ASSI ( resid 9 and name HN )
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ASSI ( resid 11 and name HN )
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ASSI ( resid 22 and name HH2 )
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OR ( resid 31 and name HD1 )
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OR ( resid 31 and name HE2 )
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OR ( resid 31 and name HD2 )
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ASSI ( resid 31 and name HD1 )
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OR ( resid 31 and name HD2 )
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ASSI ( resid 5 and name HD1 )
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OR ( resid 20 and name HE22 )
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OR ( resid 31 and name HD2 )
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OR ( resid 31 and name HD2 )
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OR ( resid 31 and name HD2 )
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OR ( resid 20 and name HE22 )
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OR ( resid 31 and name HE1 )
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OR ( resid 31 and name HE2 )
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OR ( resid 31 and name HD2 )
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OR ( resid 11 and name HD2 )
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ASSI ( resid 5 and name HD1 )
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OR ( resid 5 and name HD1 )
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OR ( resid 5 and name HD2 )
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OR ( resid 5 and name HE1 )
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ASSI ( resid 31 and name HD1 )
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OR ( resid 31 and name HE1 )
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OR ( resid 31 and name HE1 )
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ASSI ( resid 38 and name HH2 )
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OR ( resid 31 and name HD2 )
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OR ( resid 31 and name HE1 )
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ASSI ( resid 22 and name HZ3 )
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ASSI ( resid 22 and name HZ3 )
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ASSI ( resid 38 and name HZ3 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 5 and name HD1 )
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OR ( resid 5 and name HE1 )
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OR ( resid 5 and name HD1 )
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ASSI ( resid 11 and name HD2 )
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ASSI ( resid 20 and name HE22 )
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OR ( resid 20 and name HE22 )
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ASSI ( resid 11 and name HE2 )
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ASSI ( resid 11 and name HE2 )
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OR ( resid 11 and name HE2 )
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OR ( resid 11 and name HE1 )
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ASSI ( resid 11 and name HD1 )
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OR ( resid 11 and name HD2 )
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OR ( resid 5 and name HD1 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 11 and name HD1 )
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ASSI ( resid 38 and name HZ3 )
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OR ( resid 38 and name HZ3 )
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OR ( resid 11 and name HE2 )
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OR ( resid 5 and name HE2 )
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OR ( resid 14 and name HD22 )
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ASSI ( resid 11 and name HE2 )
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OR ( resid 11 and name HE1 )
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OR ( resid 5 and name HD1 )
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OR ( resid 11 and name HD2 )
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OR ( resid 11 and name HD1 )
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OR ( resid 5 and name HE1 )
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OR ( resid 5 and name HE1 )
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OR ( resid 5 and name HE2 )
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OR ( resid 5 and name HE2 )
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OR ( resid 31 and name HD1 )
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ASSI ( resid 5 and name HD1 )
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OR ( resid 5 and name HE1 )
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OR ( resid 31 and name HD1 )
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OR ( resid 31 and name HE1 )
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OR ( resid 31 and name HE1 )
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ASSI ( resid 31 and name HD2 )
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OR ( resid 31 and name HE2 )
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OR ( resid 31 and name HE1 )
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OR ( resid 31 and name HE1 )
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ASSI ( resid 28 and name HN )
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6.0 0.1 0.1 peak 214 weight 0.11000E+01 volume 3855.77588 ppm1 7.3297496 ppm2 3.7168295
ASSI ( resid 38 and name HH2 )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 215 weight 0.11000E+01 volume 3580.43311 ppm1 7.0718684 ppm2 3.1692567
OR ( resid 38 and name HH2 )
( resid 40 and name HB2 )
ASSI ( resid 5 and name HN )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 1418.93591 ppm1 7.1892610 ppm2 3.3708787
ASSI ( resid 39 and name HN )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 217 weight 0.11000E+01 volume 8800.98242 ppm1 7.1920371 ppm2 3.1873994
OR ( resid 39 and name HN )
( resid 26 and name HB2 )
OR ( resid 5 and name HN )
( resid 38 and name HB2 )
OR ( resid 5 and name HN )
( resid 26 and name HB2 )
ASSI ( resid 39 and name HN )
( resid 38 and name HB1 )
6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 7949.39404 ppm1 7.1911097 ppm2 3.2558486
OR ( resid 39 and name HN )
( resid 26 and name HB1 )
OR ( resid 5 and name HN )
( resid 38 and name HB1 )
OR ( resid 5 and name HN )
( resid 26 and name HB1 )
ASSI ( resid 11 and name HN )
( resid 10 and name HA2 )
6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 14816.51270 ppm1 7.2298622 ppm2 3.2539594
ASSI ( resid 40 and name HD1 )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 220 weight 0.11000E+01 volume 15067.52832 ppm1 7.2436633 ppm2 3.1696808
OR ( resid 40 and name HD1 )
( resid 40 and name HB2 )
ASSI ( resid 38 and name HE3 )
( resid 38 and name HB1 )
6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 14645.10059 ppm1 7.3716497 ppm2 3.2597187
ASSI ( resid 38 and name HE3 )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 11488.71777 ppm1 7.3704176 ppm2 3.1801651
ASSI ( resid 28 and name HN )
( resid 25 and name HB2 )
6.0 0.1 0.1 peak 223 weight 0.11000E+01 volume 4914.37695 ppm1 7.3361773 ppm2 3.1689563
ASSI ( resid 41 and name HN )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 5683.84229 ppm1 7.2964759 ppm2 3.1715648
OR ( resid 41 and name HN )
( resid 40 and name HB1 )
ASSI ( resid 28 and name HN )
( resid 28 and name HB1 )
6.0 0.1 0.1 peak 225 weight 0.11000E+01 volume 6325.70410 ppm1 7.3315983 ppm2 3.0232079
ASSI ( resid 22 and name HD1 )
( resid 22 and name HB1 )
6.0 0.1 0.1 peak 226 weight 0.11000E+01 volume 4924.71582 ppm1 7.3706732 ppm2 2.9789777
ASSI ( resid 11 and name HN )
( resid 11 and name HB2 )
6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 1479.29150 ppm1 7.2314019 ppm2 2.8608294
ASSI ( resid 5 and name HN )
( resid 5 and name HB2 )
6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 3654.68848 ppm1 7.1970439 ppm2 2.8526964
ASSI ( resid 20 and name HN )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 229 weight 0.11000E+01 volume 2307.91138 ppm1 7.2669072 ppm2 2.7306924
ASSI ( resid 22 and name HD1 )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 1573.65906 ppm1 7.3706441 ppm2 2.7293885
ASSI ( resid 28 and name HN )
( resid 28 and name HB2 )
6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 2708.72681 ppm1 7.3322144 ppm2 2.5805030
ASSI ( resid 22 and name HD1 )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 2432.35083 ppm1 7.3706493 ppm2 2.5377617
ASSI ( resid 38 and name HZ2 )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 1255.90564 ppm1 7.3373308 ppm2 2.4776576
ASSI ( resid 9 and name HN )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 2590.53491 ppm1 7.1738582 ppm2 2.4732523
ASSI ( resid 20 and name HN )
( resid 20 and name HG1 )
6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 9430.81250 ppm1 7.2610364 ppm2 2.3751976
ASSI ( resid 11 and name HN )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 1520.53821 ppm1 7.2290735 ppm2 2.3682332
ASSI ( resid 20 and name HN )
( resid 20 and name HG2 )
6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 4006.15771 ppm1 7.2619019 ppm2 2.2490008
ASSI ( resid 9 and name HN )
( resid 9 and name HB )
6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 15705.92969 ppm1 7.1712646 ppm2 2.0247965
ASSI ( resid 9 and name HN )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 7800.88135 ppm1 7.1718421 ppm2 1.9297388
OR ( resid 9 and name HN )
( resid 8 and name HB1 )
ASSI ( resid 9 and name HN )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 8342.04395 ppm1 7.1723819 ppm2 1.8769594
OR ( resid 9 and name HN )
( resid 2 and name HB )
OR ( resid 40 and name HH2 )
( resid 7 and name HB2 )
OR ( resid 40 and name HH2 )
( resid 2 and name HB )
ASSI ( resid 20 and name HN )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 9619.30566 ppm1 7.2609591 ppm2 1.8441416
ASSI ( resid 20 and name HN )
( resid 20 and name HB1 )
6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 17982.33984 ppm1 7.2608013 ppm2 1.9242476
ASSI ( resid 22 and name HD1 )
( resid 20 and name HB1 )
6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 804.42639 ppm1 7.3714147 ppm2 1.9244521
ASSI ( resid 22 and name HD1 )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 927.92517 ppm1 7.3708739 ppm2 1.8437504
ASSI ( resid 5 and name HN )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 9805.35059 ppm1 7.1974664 ppm2 1.8707718
ASSI ( resid 38 and name HH2 )
( resid 7 and name HG1 )
6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 1550.03528 ppm1 7.0729389 ppm2 1.7543477
ASSI ( resid 9 and name HN )
( resid 7 and name HG1 )
6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 1454.63916 ppm1 7.1783390 ppm2 1.7467495
ASSI ( resid 38 and name HZ2 )
( resid 7 and name HG1 )
6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 2673.18604 ppm1 7.3389239 ppm2 1.7579615
ASSI ( resid 38 and name HE3 )
( resid 21 and name HB )
6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 771.70758 ppm1 7.3731561 ppm2 1.7144434
ASSI ( resid 38 and name HE3 )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 715.12872 ppm1 7.3708739 ppm2 1.6363089
ASSI ( resid 41 and name HN )
( resid 41 and name HB2 )
6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 3083.53760 ppm1 7.2949734 ppm2 1.6329176
OR ( resid 41 and name HN )
( resid 41 and name HB1 )
ASSI ( resid 41 and name HN )
( resid 41 and name HD2 )
6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 6650.51660 ppm1 7.2967043 ppm2 1.5413606
OR ( resid 41 and name HN )
( resid 41 and name HD1 )
ASSI ( resid 5 and name HN )
( resid 3 and name HB1 )
6.0 0.1 0.1 peak 253 weight 0.11000E+01 volume 18765.76953 ppm1 7.1965785 ppm2 1.6555856
OR ( resid 5 and name HN )
( resid 3 and name HG )
OR ( resid 40 and name HZ3 )
( resid 3 and name HB1 )
OR ( resid 40 and name HZ3 )
( resid 3 and name HG )
ASSI ( resid 9 and name HN )
( resid 8 and name HG2 )
6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 1508.34595 ppm1 7.1643400 ppm2 1.5888348
OR ( resid 9 and name HN )
( resid 8 and name HG1 )
ASSI ( resid 39 and name HN )
( resid 39 and name HD2 )
6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 6527.85107 ppm1 7.1880975 ppm2 1.5183476
OR ( resid 39 and name HN )
( resid 39 and name HD1 )
ASSI ( resid 31 and name HN )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 8701.33789 ppm1 7.8705502 ppm2 1.9093627
OR ( resid 31 and name HN )
( resid 30 and name HB1 )
ASSI ( resid 37 and name HN )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 9196.30859 ppm1 7.7720618 ppm2 2.0902097
ASSI ( resid 37 and name HN )
( resid 35 and name HG2 )
6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 2539.88135 ppm1 7.7712383 ppm2 2.1603739
ASSI ( resid 20 and name HE21 )
( resid 20 and name HG2 )
6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 10120.22949 ppm1 7.6426115 ppm2 2.2524037
ASSI ( resid 20 and name HE21 )
( resid 20 and name HG1 )
6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 9185.37305 ppm1 7.6414657 ppm2 2.3708825
OR ( resid 20 and name HE21 )
( resid 30 and name HG1 )
OR ( resid 20 and name HE21 )
( resid 33 and name HB1 )
OR ( resid 15 and name HN )
( resid 20 and name HG1 )
OR ( resid 15 and name HN )
( resid 30 and name HG1 )
OR ( resid 15 and name HN )
( resid 33 and name HB1 )
ASSI ( resid 37 and name HN )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 3557.82446 ppm1 7.7725258 ppm2 2.5143824
ASSI ( resid 15 and name HN )
( resid 14 and name HB2 )
6.0 0.1 0.1 peak 262 weight 0.11000E+01 volume 7722.64990 ppm1 7.6417265 ppm2 2.9836032
OR ( resid 15 and name HN )
( resid 14 and name HB1 )
ASSI ( resid 14 and name HD21 )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 263 weight 0.11000E+01 volume 12347.62988 ppm1 7.7341537 ppm2 2.9885485
OR ( resid 14 and name HD21 )
( resid 14 and name HB2 )
ASSI ( resid 40 and name HE3 )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 264 weight 0.11000E+01 volume 14256.40820 ppm1 7.7187490 ppm2 3.1705327
OR ( resid 40 and name HE3 )
( resid 40 and name HB1 )
ASSI ( resid 40 and name HN )
( resid 40 and name HB1 )
6.0 0.1 0.1 peak 265 weight 0.11000E+01 volume 23882.75586 ppm1 7.6691723 ppm2 3.1703701
OR ( resid 40 and name HN )
( resid 40 and name HB2 )
ASSI ( resid 37 and name HN )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 266 weight 0.11000E+01 volume 1379.46143 ppm1 7.7712383 ppm2 3.1824012
ASSI ( resid 26 and name HN )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 267 weight 0.11000E+01 volume 6172.35889 ppm1 7.8464451 ppm2 3.1903999
ASSI ( resid 26 and name HN )
( resid 26 and name HB1 )
6.0 0.1 0.1 peak 268 weight 0.11000E+01 volume 7612.71582 ppm1 7.8442674 ppm2 3.2506454
ASSI ( resid 26 and name HN )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 269 weight 0.11000E+01 volume 1798.64661 ppm1 7.8420992 ppm2 3.3724556
ASSI ( resid 15 and name HN )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 270 weight 0.11000E+01 volume 7525.66064 ppm1 7.6410193 ppm2 3.7739217
OR ( resid 15 and name HN )
( resid 17 and name HB2 )
OR ( resid 20 and name HE21 )
( resid 13 and name HB2 )
OR ( resid 20 and name HE21 )
( resid 17 and name HB2 )
ASSI ( resid 26 and name HN )
( resid 4 and name HA )
6.0 0.1 0.1 peak 271 weight 0.11000E+01 volume 743.19702 ppm1 7.8488698 ppm2 3.9834130
ASSI ( resid 37 and name HN )
( resid 37 and name HB2 )
6.0 0.1 0.1 peak 272 weight 0.11000E+01 volume 11223.74219 ppm1 7.7700524 ppm2 3.8479006
ASSI ( resid 15 and name HN )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 273 weight 0.11000E+01 volume 2222.95288 ppm1 7.6403422 ppm2 3.9222643
OR ( resid 20 and name HE21 )
( resid 13 and name HB1 )
ASSI ( resid 38 and name HN )
( resid 37 and name HB2 )
6.0 0.1 0.1 peak 274 weight 0.11000E+01 volume 929.34198 ppm1 8.0737734 ppm2 3.8573306
ASSI ( resid 19 and name HN )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 275 weight 0.11000E+01 volume 1430.95007 ppm1 8.0622501 ppm2 3.7812033
ASSI ( resid 17 and name HN )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 276 weight 0.11000E+01 volume 6381.48730 ppm1 8.3769522 ppm2 3.7822783
ASSI ( resid 38 and name HN )
( resid 38 and name HB1 )
6.0 0.1 0.1 peak 277 weight 0.11000E+01 volume 28547.49414 ppm1 8.0715876 ppm2 3.2545755
ASSI ( resid 38 and name HN )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 278 weight 0.11000E+01 volume 24699.42383 ppm1 8.0716887 ppm2 3.1840971
ASSI ( resid 10 and name HN )
( resid 10 and name HA2 )
6.0 0.1 0.1 peak 279 weight 0.11000E+01 volume 23331.37891 ppm1 8.2364340 ppm2 3.2548997
ASSI ( resid 23 and name HN )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 280 weight 0.11000E+01 volume 1507.08435 ppm1 8.1294136 ppm2 2.8074663
ASSI ( resid 23 and name HN )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 281 weight 0.11000E+01 volume 1413.14136 ppm1 8.1271391 ppm2 2.5374348
ASSI ( resid 23 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 282 weight 0.11000E+01 volume 676.36023 ppm1 8.1257248 ppm2 2.2666745
ASSI ( resid 38 and name HN )
( resid 35 and name HG2 )
6.0 0.1 0.1 peak 283 weight 0.11000E+01 volume 3349.27905 ppm1 8.0731964 ppm2 2.1657312
OR ( resid 38 and name HN )
( resid 35 and name HG1 )
ASSI ( resid 38 and name HN )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 284 weight 0.11000E+01 volume 3492.61572 ppm1 8.0716772 ppm2 2.0879443
ASSI ( resid 19 and name HN )
( resid 18 and name HB2 )
6.0 0.1 0.1 peak 285 weight 0.11000E+01 volume 4012.95654 ppm1 8.0530386 ppm2 2.0073154
OR ( resid 19 and name HN )
( resid 18 and name HB1 )
ASSI ( resid 10 and name HN )
( resid 9 and name HB )
6.0 0.1 0.1 peak 286 weight 0.11000E+01 volume 1069.15540 ppm1 8.2309465 ppm2 2.0251613
ASSI ( resid 10 and name HN )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 287 weight 0.11000E+01 volume 1998.20068 ppm1 8.2364845 ppm2 1.8740667
ASSI ( resid 17 and name HN )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 288 weight 0.11000E+01 volume 990.20709 ppm1 8.3790359 ppm2 1.8371854
ASSI ( resid 17 and name HN )
( resid 20 and name HB1 )
6.0 0.1 0.1 peak 289 weight 0.11000E+01 volume 5469.44531 ppm1 8.3762665 ppm2 1.9299836
ASSI ( resid 17 and name HN )
( resid 20 and name HG1 )
6.0 0.1 0.1 peak 290 weight 0.11000E+01 volume 1456.95422 ppm1 8.3700361 ppm2 2.3678010
OR ( resid 17 and name HN )
( resid 33 and name HB1 )
ASSI ( resid 17 and name HN )
( resid 16 and name HB1 )
6.0 0.1 0.1 peak 291 weight 0.11000E+01 volume 12310.40430 ppm1 8.3743591 ppm2 2.7286966
ASSI ( resid 2 and name HN )
( resid 1 and name HA )
6.0 0.1 0.1 peak 292 weight 0.11000E+01 volume 20218.09766 ppm1 8.6594601 ppm2 3.9777555
ASSI ( resid 14 and name HN )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 293 weight 0.11000E+01 volume 2139.90381 ppm1 8.7180147 ppm2 3.7696657
ASSI ( resid 18 and name HN )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 294 weight 0.11000E+01 volume 4000.62988 ppm1 8.7923307 ppm2 3.7789872
ASSI ( resid 14 and name HN )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 295 weight 0.11000E+01 volume 1332.09717 ppm1 8.7214327 ppm2 3.9245520
ASSI ( resid 3 and name HN )
( resid 25 and name HB2 )
6.0 0.1 0.1 peak 296 weight 0.11000E+01 volume 1186.70618 ppm1 8.8217382 ppm2 3.1665678
ASSI ( resid 14 and name HN )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 297 weight 0.11000E+01 volume 14580.73926 ppm1 8.7200489 ppm2 2.9919026
OR ( resid 14 and name HN )
( resid 14 and name HB2 )
ASSI ( resid 32 and name HN )
( resid 31 and name HB1 )
6.0 0.1 0.1 peak 298 weight 0.11000E+01 volume 19153.48047 ppm1 8.8764973 ppm2 2.8086858
ASSI ( resid 33 and name HN )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 299 weight 0.11000E+01 volume 2132.74023 ppm1 8.6579380 ppm2 2.8237197
ASSI ( resid 32 and name HN )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 300 weight 0.11000E+01 volume 3830.02441 ppm1 8.8758059 ppm2 2.5166879
ASSI ( resid 34 and name HN )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 301 weight 0.11000E+01 volume 3882.80518 ppm1 8.7857342 ppm2 2.3631010
ASSI ( resid 32 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 302 weight 0.11000E+01 volume 14601.72852 ppm1 8.8752575 ppm2 2.2623398
ASSI ( resid 8 and name HN )
( resid 7 and name HB1 )
6.0 0.1 0.1 peak 303 weight 0.11000E+01 volume 3469.06519 ppm1 8.7026348 ppm2 2.4695117
ASSI ( resid 33 and name HN )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 304 weight 0.11000E+01 volume 605.32458 ppm1 8.6589212 ppm2 2.5197637
ASSI ( resid 33 and name HN )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 305 weight 0.11000E+01 volume 6158.75000 ppm1 8.6582317 ppm2 2.3608272
ASSI ( resid 36 and name HN )
( resid 20 and name HG1 )
6.0 0.1 0.1 peak 306 weight 0.11000E+01 volume 815.66602 ppm1 8.6217155 ppm2 2.3769162
ASSI ( resid 36 and name HN )
( resid 35 and name HB1 )
6.0 0.1 0.1 peak 307 weight 0.11000E+01 volume 4806.17725 ppm1 8.6228218 ppm2 2.5105352
ASSI ( resid 33 and name HN )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 308 weight 0.11000E+01 volume 1493.45667 ppm1 8.6564674 ppm2 2.2526739
ASSI ( resid 36 and name HN )
( resid 20 and name HG2 )
6.0 0.1 0.1 peak 309 weight 0.11000E+01 volume 1352.31006 ppm1 8.6232958 ppm2 2.2440462
ASSI ( resid 36 and name HN )
( resid 35 and name HG1 )
6.0 0.1 0.1 peak 310 weight 0.11000E+01 volume 1122.50977 ppm1 8.6227798 ppm2 2.1571295
ASSI ( resid 36 and name HN )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 311 weight 0.11000E+01 volume 4565.77246 ppm1 8.6232262 ppm2 2.0902097
ASSI ( resid 18 and name HN )
( resid 18 and name HB2 )
6.0 0.1 0.1 peak 312 weight 0.11000E+01 volume 14290.67871 ppm1 8.7929506 ppm2 2.0111308
OR ( resid 18 and name HN )
( resid 18 and name HB1 )
ASSI ( resid 8 and name HN )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 313 weight 0.11000E+01 volume 4909.07715 ppm1 8.7027426 ppm2 1.8808610
ASSI ( resid 8 and name HN )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 314 weight 0.11000E+01 volume 19302.59375 ppm1 8.7041273 ppm2 1.9343985
OR ( resid 8 and name HN )
( resid 8 and name HB1 )
ASSI ( resid 2 and name HN )
( resid 2 and name HB )
6.0 0.1 0.1 peak 315 weight 0.11000E+01 volume 8740.42480 ppm1 8.6585541 ppm2 1.8689039
ASSI ( resid 18 and name HN )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 316 weight 0.11000E+01 volume 3407.41284 ppm1 8.7844286 ppm2 1.8439797
OR ( resid 34 and name HN )
( resid 20 and name HB2 )
ASSI ( resid 3 and name HN )
( resid 2 and name HB )
6.0 0.1 0.1 peak 317 weight 0.11000E+01 volume 1658.25842 ppm1 8.8266916 ppm2 1.8679217
ASSI ( resid 4 and name HN )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 318 weight 0.11000E+01 volume 5916.17285 ppm1 8.9477997 ppm2 1.8546872
OR ( resid 4 and name HN )
( resid 2 and name HB )
ASSI ( resid 29 and name HN )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 319 weight 0.11000E+01 volume 5044.02100 ppm1 9.0218172 ppm2 1.7858554
OR ( resid 29 and name HN )
( resid 29 and name HB1 )
ASSI ( resid 21 and name HN )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 320 weight 0.11000E+01 volume 14774.46680 ppm1 9.1608677 ppm2 1.8421204
ASSI ( resid 21 and name HN )
( resid 20 and name HB1 )
6.0 0.1 0.1 peak 321 weight 0.11000E+01 volume 7354.06738 ppm1 9.1616516 ppm2 1.9179145
ASSI ( resid 21 and name HN )
( resid 20 and name HG2 )
6.0 0.1 0.1 peak 322 weight 0.11000E+01 volume 3145.62329 ppm1 9.1623440 ppm2 2.2525699
ASSI ( resid 21 and name HN )
( resid 20 and name HG1 )
6.0 0.1 0.1 peak 323 weight 0.11000E+01 volume 2422.26538 ppm1 9.1637287 ppm2 2.3703523
OR ( resid 21 and name HN )
( resid 33 and name HB1 )
ASSI ( resid 22 and name HN )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 324 weight 0.11000E+01 volume 5971.74756 ppm1 9.2230492 ppm2 2.5297749
ASSI ( resid 6 and name HN )
( resid 6 and name HB2 )
6.0 0.1 0.1 peak 325 weight 0.11000E+01 volume 10692.08984 ppm1 9.1552486 ppm2 2.7899864
ASSI ( resid 6 and name HN )
( resid 5 and name HB2 )
6.0 0.1 0.1 peak 326 weight 0.11000E+01 volume 11033.10938 ppm1 9.1535320 ppm2 2.8468492
ASSI ( resid 12 and name HN )
( resid 12 and name HB2 )
6.0 0.1 0.1 peak 327 weight 0.11000E+01 volume 9595.06934 ppm1 8.9534149 ppm2 2.7746723
ASSI ( resid 12 and name HN )
( resid 11 and name HB2 )
6.0 0.1 0.1 peak 328 weight 0.11000E+01 volume 9725.71777 ppm1 8.9568901 ppm2 2.8631301
ASSI ( resid 22 and name HN )
( resid 22 and name HB1 )
6.0 0.1 0.1 peak 329 weight 0.11000E+01 volume 15865.05469 ppm1 9.2202797 ppm2 2.9786437
ASSI ( resid 6 and name HN )
( resid 6 and name HB1 )
6.0 0.1 0.1 peak 330 weight 0.11000E+01 volume 8778.55566 ppm1 9.1536283 ppm2 3.1375906
ASSI ( resid 6 and name HN )
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OR ( resid 6 and name HN )
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ASSI ( resid 12 and name HN )
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OR ( resid 12 and name HN )
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ASSI ( resid 12 and name HN )
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ASSI ( resid 4 and name HN )
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ASSI ( resid 22 and name HE1 )
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ASSI ( resid 25 and name HN )
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ASSI ( resid 38 and name HE1 )
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ASSI ( resid 22 and name HN )
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ASSI ( resid 22 and name HN )
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ASSI ( resid 21 and name HN )
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ASSI ( resid 21 and name HN )
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ASSI ( resid 22 and name HN )
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ASSI ( resid 21 and name HN )
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OR ( resid 21 and name HN )
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ASSI ( resid 22 and name HN )
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ASSI ( resid 21 and name HN )
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ASSI ( resid 22 and name HN )
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ASSI ( resid 21 and name HN )
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ASSI ( resid 4 and name HN )
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OR ( resid 4 and name HN )
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ASSI ( resid 4 and name HN )
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ASSI ( resid 4 and name HN )
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OR ( resid 4 and name HN )
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OR ( resid 4 and name HN )
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ASSI ( resid 32 and name HN )
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ASSI ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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ASSI ( resid 34 and name HN )
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ASSI ( resid 3 and name HN )
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ASSI ( resid 34 and name HN )
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ASSI ( resid 34 and name HN )
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ASSI ( resid 34 and name HN )
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ASSI ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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ASSI ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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ASSI ( resid 4 and name HN )
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OR ( resid 4 and name HN )
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OR ( resid 4 and name HN )
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ASSI ( resid 8 and name HN )
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OR ( resid 8 and name HN )
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ASSI ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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ASSI ( resid 33 and name HN )
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ASSI ( resid 36 and name HN )
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ASSI ( resid 24 and name HN )
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ASSI ( resid 24 and name HN )
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ASSI ( resid 36 and name HN )
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ASSI ( resid 36 and name HN )
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ASSI ( resid 2 and name HN )
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ASSI ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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ASSI ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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OR ( resid 2 and name HN )
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ASSI ( resid 24 and name HN )
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OR ( resid 24 and name HN )
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OR ( resid 24 and name HN )
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OR ( resid 24 and name HN )
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OR ( resid 24 and name HN )
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OR ( resid 24 and name HN )
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ASSI ( resid 24 and name HN )
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OR ( resid 24 and name HN )
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OR ( resid 24 and name HN )
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ASSI ( resid 10 and name HN )
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ASSI ( resid 10 and name HN )
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OR ( resid 10 and name HN )
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ASSI ( resid 23 and name HN )
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ASSI ( resid 38 and name HN )
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ASSI ( resid 19 and name HN )
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OR ( resid 19 and name HN )
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OR ( resid 19 and name HN )
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OR ( resid 38 and name HN )
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OR ( resid 38 and name HN )
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OR ( resid 38 and name HN )
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ASSI ( resid 19 and name HN )
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ASSI ( resid 38 and name HN )
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ASSI ( resid 38 and name HN )
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ASSI ( resid 23 and name HN )
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ASSI ( resid 10 and name HN )
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ASSI ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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OR ( resid 3 and name HN )
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ASSI ( resid 34 and name HN )
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OR ( resid 34 and name HN )
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OR ( resid 34 and name HN )
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ASSI ( resid 34 and name HN )
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OR ( resid 34 and name HN )
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OR ( resid 34 and name HN )
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ASSI ( resid 22 and name HE1 )
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ASSI ( resid 17 and name HN )
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ASSI ( resid 10 and name HN )
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OR ( resid 10 and name HN )
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OR ( resid 10 and name HN )
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ASSI ( resid 23 and name HN )
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OR ( resid 23 and name HN )
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OR ( resid 23 and name HN )
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ASSI ( resid 26 and name HN )
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OR ( resid 26 and name HN )
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OR ( resid 26 and name HN )
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ASSI ( resid 40 and name HE3 )
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OR ( resid 40 and name HE3 )
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OR ( resid 40 and name HE3 )
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ASSI ( resid 40 and name HN )
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OR ( resid 40 and name HN )
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ASSI ( resid 14 and name HD21 )
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ASSI ( resid 15 and name HN )
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ASSI ( resid 40 and name HN )
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OR ( resid 40 and name HN )
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ASSI ( resid 40 and name HN )
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OR ( resid 40 and name HN )
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ASSI ( resid 37 and name HN )
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ASSI ( resid 38 and name HZ2 )
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ASSI ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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ASSI ( resid 38 and name HE3 )
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ASSI ( resid 22 and name HD1 )
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OR ( resid 38 and name HE3 )
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ASSI ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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ASSI ( resid 22 and name HD1 )
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ASSI ( resid 22 and name HZ2 )
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ASSI ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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ASSI ( resid 38 and name HZ2 )
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OR ( resid 38 and name HZ2 )
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OR ( resid 38 and name HZ2 )
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ASSI ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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OR ( resid 38 and name HE3 )
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ASSI ( resid 11 and name HN )
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OR ( resid 11 and name HN )
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OR ( resid 11 and name HN )
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ASSI ( attr store1 < 7.2098088 and attr store1 > 7.1698088 )
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ASSI ( resid 9 and name HN )
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OR ( resid 9 and name HN )
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OR ( resid 9 and name HN )
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OR ( resid 38 and name HZ2 )
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OR ( resid 38 and name HZ2 )
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ASSI ( resid 40 and name HZ3 )
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OR ( resid 40 and name HZ3 )
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OR ( resid 40 and name HZ3 )
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ASSI ( resid 40 and name HH2 )
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OR ( resid 40 and name HH2 )
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OR ( resid 40 and name HH2 )
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OR ( resid 40 and name HH2 )
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ASSI ( resid 38 and name HZ2 )
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ASSI ( resid 38 and name HZ2 )
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OR ( resid 38 and name HZ2 )
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OR ( resid 38 and name HZ2 )
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ASSI ( resid 40 and name HD1 )
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OR ( resid 40 and name HD1 )
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OR ( resid 40 and name HD1 )
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ASSI ( resid 40 and name HD1 )
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OR ( resid 40 and name HD1 )
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OR ( resid 40 and name HD1 )
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ASSI ( resid 9 and name HN )
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OR ( resid 9 and name HN )
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OR ( resid 9 and name HN )
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OR ( resid 9 and name HN )
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OR ( resid 40 and name HH2 )
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OR ( resid 40 and name HH2 )
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OR ( resid 40 and name HH2 )
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OR ( resid 40 and name HH2 )
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ASSI ( resid 40 and name HZ3 )
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OR ( resid 40 and name HZ3 )
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OR ( resid 40 and name HZ3 )
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ASSI ( resid 9 and name HN )
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ASSI ( resid 41 and name HN )
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OR ( resid 41 and name HN )
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ASSI ( resid 40 and name HD1 )
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ASSI ( resid 39 and name HN )
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OR ( resid 39 and name HN )
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ASSI ( resid 22 and name HZ2 )
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ASSI ( resid 22 and name HH2 )
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OR ( resid 22 and name HH2 )
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OR ( resid 11 and name HN )
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OR ( resid 11 and name HN )
( resid 34 and name HG )
ASSI ( resid 11 and name HN )
( resid 33 and name HB2 )
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ASSI ( resid 5 and name HN )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 431 weight 0.11000E+01 volume 7871.79590 ppm1 7.1964393 ppm2 1.4438818
OR ( resid 5 and name HN )
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OR ( resid 40 and name HZ3 )
( resid 3 and name HB2 )
OR ( resid 40 and name HZ3 )
( resid 1 and name HG )
ASSI ( resid 9 and name HN )
( resid 9 and name HG11 )
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OR ( resid 9 and name HN )
( resid 9 and name HG12 )
ASSI ( resid 39 and name HN )
( resid 39 and name HB2 )
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OR ( resid 39 and name HN )
( resid 39 and name HB1 )
ASSI ( resid 40 and name HD1 )
( resid 41 and name HD2 )
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OR ( resid 40 and name HD1 )
( resid 41 and name HD1 )
ASSI ( resid 38 and name HH2 )
( resid 7 and name HG2 )
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ASSI ( resid 31 and name HD2 )
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ASSI ( resid 31 and name HE1 )
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6.0 0.1 0.1 peak 437 weight 0.11000E+01 volume 20457.48047 ppm1 6.9998045 ppm2 1.2566855
OR ( resid 31 and name HD1 )
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OR ( resid 31 and name HE2 )
( resid 24 and name HG21 )
OR ( resid 31 and name HD2 )
( resid 24 and name HG21 )
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( resid 34 and name HG )
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OR ( resid 38 and name HZ3 )
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OR ( resid 22 and name HZ3 )
( resid 34 and name HG )
OR ( resid 22 and name HZ3 )
( resid 15 and name HG21 )
ASSI ( resid 5 and name HE2 )
( resid 4 and name HD1 )
6.0 0.1 0.1 peak 439 weight 0.11000E+01 volume 1985.36414 ppm1 6.8526697 ppm2 1.5621263
OR ( resid 5 and name HE2 )
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OR ( resid 5 and name HD2 )
( resid 4 and name HD1 )
OR ( resid 5 and name HD2 )
( resid 4 and name HD2 )
OR ( resid 5 and name HD1 )
( resid 4 and name HD1 )
OR ( resid 5 and name HD1 )
( resid 4 and name HD2 )
ASSI ( resid 5 and name HD2 )
( resid 4 and name HG2 )
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OR ( resid 5 and name HD2 )
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OR ( resid 5 and name HD1 )
( resid 4 and name HG2 )
OR ( resid 5 and name HD1 )
( resid 4 and name HG1 )
OR ( resid 5 and name HE2 )
( resid 4 and name HG2 )
OR ( resid 5 and name HE2 )
( resid 4 and name HG1 )
ASSI ( resid 38 and name HD1 )
( resid 34 and name HB1 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HZ3 )
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ASSI ( resid 38 and name HZ3 )
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OR ( resid 38 and name HZ3 )
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OR ( resid 38 and name HZ3 )
( resid 1 and name HD22 )
OR ( resid 38 and name HZ3 )
( resid 1 and name HD11 )
OR ( resid 38 and name HZ3 )
( resid 1 and name HD12 )
OR ( resid 38 and name HZ3 )
( resid 1 and name HD13 )
ASSI ( resid 38 and name HD1 )
( resid 9 and name HG21 )
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ASSI ( resid 38 and name HH2 )
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OR ( resid 38 and name HH2 )
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OR ( resid 38 and name HH2 )
( resid 3 and name HD12 )
ASSI ( resid 38 and name HH2 )
( resid 1 and name HD13 )
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OR ( resid 38 and name HH2 )
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OR ( resid 38 and name HH2 )
( resid 1 and name HD12 )
ASSI ( resid 38 and name HH2 )
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OR ( resid 38 and name HH2 )
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OR ( resid 38 and name HH2 )
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ASSI ( resid 38 and name HZ3 )
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OR ( resid 38 and name HZ3 )
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OR ( resid 38 and name HZ3 )
( resid 3 and name HD22 )
ASSI ( resid 5 and name HD1 )
( resid 3 and name HD22 )
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OR ( resid 5 and name HE1 )
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ASSI ( resid 38 and name HZ3 )
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OR ( resid 38 and name HZ3 )
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OR ( resid 38 and name HZ3 )
( resid 34 and name HD13 )
ASSI ( resid 38 and name HD1 )
( resid 34 and name HD11 )
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OR ( resid 38 and name HD1 )
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OR ( resid 38 and name HD1 )
( resid 34 and name HD12 )
ASSI ( resid 38 and name HD1 )
( resid 34 and name HD21 )
6.0 0.1 0.1 peak 454 weight 0.11000E+01 volume 1931.90564 ppm1 6.8740540 ppm2 -0.2698429
OR ( resid 38 and name HD1 )
( resid 34 and name HD22 )
OR ( resid 38 and name HD1 )
( resid 34 and name HD23 )
ASSI ( resid 38 and name HZ3 )
( resid 34 and name HD21 )
6.0 0.1 0.1 peak 455 weight 0.11000E+01 volume 2160.69458 ppm1 6.9140553 ppm2 -0.2706638
OR ( resid 38 and name HZ3 )
( resid 34 and name HD22 )
OR ( resid 38 and name HZ3 )
( resid 34 and name HD23 )
ASSI ( resid 38 and name HH2 )
( resid 34 and name HD21 )
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OR ( resid 38 and name HH2 )
( resid 34 and name HD23 )
OR ( resid 38 and name HH2 )
( resid 34 and name HD22 )
ASSI ( resid 38 and name HZ3 )
( resid 21 and name HD11 )
6.0 0.1 0.1 peak 457 weight 0.11000E+01 volume 636.86267 ppm1 6.9079928 ppm2 1.1107455
ASSI ( resid 38 and name HZ3 )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 458 weight 0.11000E+01 volume 554.34167 ppm1 6.9129534 ppm2 1.3974917
ASSI ( resid 11 and name HE2 )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 459 weight 0.11000E+01 volume 4302.41602 ppm1 6.7253613 ppm2 1.4540093
ASSI ( resid 11 and name HD1 )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 460 weight 0.11000E+01 volume 611.25647 ppm1 6.8381300 ppm2 2.3604763
OR ( resid 11 and name HD2 )
( resid 33 and name HB1 )
ASSI ( resid 11 and name HN )
( resid 10 and name HN )
6.0 0.1 0.1 peak 461 weight 0.11000E+01 volume 1688.21008 ppm1 7.2257133 ppm2 8.2339296
ASSI ( resid 6 and name HN )
( resid 25 and name HB1 )
6.0 0.1 0.1 peak 462 weight 0.11000E+01 volume 955.28442 ppm1 9.1531248 ppm2 3.3691659
ASSI ( resid 38 and name HN )
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6.0 0.1 0.1 peak 463 weight 0.11000E+01 volume 922.79358 ppm1 8.0698519 ppm2 1.2874862
! derived from the 2D file(s):
! /home/meudal/Galline/Aria/noes-d2o-080710.xpk
ASSI ( resid 32 and name HA )
( resid 12 and name HA )
6.0 0.1 0.1 peak 0 weight 0.11000E+01 volume 12.57430 ppm1 4.8333926 ppm2 5.8981442
ASSI ( resid 22 and name HA )
( resid 22 and name HE3 )
6.0 0.1 0.1 peak 1 weight 0.11000E+01 volume 2.18820 ppm1 4.8846979 ppm2 5.6827960
ASSI ( resid 22 and name HE3 )
( resid 15 and name HA )
6.0 0.1 0.1 peak 2 weight 0.11000E+01 volume 2.89000 ppm1 5.6782827 ppm2 4.1109328
ASSI ( resid 12 and name HA )
( resid 12 and name HB1 )
6.0 0.1 0.1 peak 3 weight 0.11000E+01 volume 12.53540 ppm1 5.8934350 ppm2 3.4310732
ASSI ( resid 6 and name HA )
( resid 7 and name HD1 )
6.0 0.1 0.1 peak 4 weight 0.11000E+01 volume 71.35000 ppm1 5.0451798 ppm2 4.0817075
ASSI ( resid 19 and name HB )
( resid 19 and name HA )
6.0 0.1 0.1 peak 5 weight 0.11000E+01 volume 5.20890 ppm1 4.5682049 ppm2 4.4507241
OR ( resid 20 and name HA )
( resid 19 and name HA )
ASSI ( resid 24 and name HA )
( resid 24 and name HB )
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ASSI ( resid 20 and name HA )
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ASSI ( resid 17 and name HA )
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ASSI ( resid 7 and name HA )
( resid 7 and name HD1 )
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OR ( resid 7 and name HA )
( resid 8 and name HA )
ASSI ( resid 2 and name HA )
( resid 24 and name HB )
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ASSI ( resid 13 and name HA )
( resid 13 and name HB1 )
6.0 0.1 0.1 peak 11 weight 0.11000E+01 volume 17.59380 ppm1 4.6801229 ppm2 3.9164386
ASSI ( resid 34 and name HA )
( resid 35 and name HD1 )
6.0 0.1 0.1 peak 12 weight 0.11000E+01 volume 64.12580 ppm1 4.6984096 ppm2 3.7817302
ASSI ( resid 17 and name HA )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 13 weight 0.11000E+01 volume 34.35890 ppm1 4.6247492 ppm2 3.7654381
ASSI ( resid 37 and name HA )
( resid 37 and name HB1 )
6.0 0.1 0.1 peak 14 weight 0.11000E+01 volume 17.92210 ppm1 4.2710819 ppm2 4.0987511
ASSI ( resid 37 and name HA )
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ASSI ( resid 37 and name HB1 )
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ASSI ( resid 27 and name HA1 )
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ASSI ( resid 17 and name HB1 )
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ASSI ( resid 13 and name HB1 )
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ASSI ( resid 12 and name HA )
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ASSI ( resid 12 and name HA )
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ASSI ( resid 22 and name HE3 )
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ASSI ( resid 25 and name HA )
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ASSI ( resid 6 and name HA )
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ASSI ( resid 25 and name HA )
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ASSI ( resid 6 and name HA )
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ASSI ( resid 28 and name HA )
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ASSI ( resid 31 and name HA )
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OR ( resid 31 and name HA )
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OR ( resid 28 and name HA )
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OR ( resid 28 and name HA )
( resid 6 and name HB2 )
ASSI ( resid 6 and name HA )
( resid 6 and name HB2 )
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ASSI ( resid 22 and name HA )
( resid 22 and name HB1 )
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OR ( resid 33 and name HA )
( resid 22 and name HB1 )
ASSI ( resid 22 and name HA )
( resid 31 and name HB1 )
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ASSI ( resid 22 and name HA )
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OR ( resid 33 and name HA )
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ASSI ( resid 16 and name HA )
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ASSI ( resid 32 and name HA )
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ASSI ( resid 11 and name HA )
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ASSI ( resid 14 and name HA )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 36 weight 0.11000E+01 volume 55.13760 ppm1 4.7548881 ppm2 2.9743440
OR ( resid 14 and name HA )
( resid 14 and name HB2 )
ASSI ( resid 24 and name HA )
( resid 32 and name HB1 )
6.0 0.1 0.1 peak 37 weight 0.11000E+01 volume 3.18570 ppm1 4.6718950 ppm2 2.8175509
ASSI ( resid 5 and name HA )
( resid 5 and name HB2 )
6.0 0.1 0.1 peak 38 weight 0.11000E+01 volume 37.43810 ppm1 4.6421146 ppm2 2.8419213
ASSI ( resid 11 and name HA )
( resid 11 and name HB1 )
6.0 0.1 0.1 peak 39 weight 0.11000E+01 volume 26.68850 ppm1 4.7588787 ppm2 3.1252582
OR ( resid 11 and name HA )
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ASSI ( resid 13 and name HA )
( resid 14 and name HB1 )
6.0 0.1 0.1 peak 40 weight 0.11000E+01 volume 2.00690 ppm1 4.6805234 ppm2 2.9817839
OR ( resid 13 and name HA )
( resid 14 and name HB2 )
ASSI ( resid 5 and name HA )
( resid 5 and name HB1 )
6.0 0.1 0.1 peak 41 weight 0.11000E+01 volume 48.46590 ppm1 4.6404462 ppm2 3.1848135
ASSI ( resid 10 and name HA1 )
( resid 10 and name HA2 )
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ASSI ( resid 5 and name HA )
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ASSI ( resid 34 and name HA )
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ASSI ( resid 26 and name HA )
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ASSI ( resid 26 and name HA )
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ASSI ( resid 38 and name HA )
( resid 38 and name HB1 )
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ASSI ( resid 40 and name HA )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 96.75010 ppm1 4.1950779 ppm2 3.1658642
OR ( resid 40 and name HA )
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OR ( resid 40 and name HA )
( resid 40 and name HB1 )
OR ( resid 38 and name HA )
( resid 40 and name HB2 )
OR ( resid 38 and name HA )
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OR ( resid 38 and name HA )
( resid 40 and name HB1 )
ASSI ( resid 7 and name HD1 )
( resid 7 and name HD2 )
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ASSI ( resid 4 and name HA )
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ASSI ( resid 35 and name HD1 )
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ASSI ( resid 25 and name HB1 )
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ASSI ( resid 11 and name HB1 )
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ASSI ( resid 6 and name HB1 )
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ASSI ( resid 5 and name HB1 )
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ASSI ( resid 12 and name HB1 )
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ASSI ( resid 31 and name HB1 )
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OR ( resid 31 and name HB1 )
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ASSI ( resid 22 and name HB1 )
( resid 22 and name HB2 )
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OR ( resid 22 and name HB1 )
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OR ( resid 29 and name HE2 )
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OR ( resid 29 and name HE2 )
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ASSI ( resid 7 and name HD2 )
( resid 7 and name HB1 )
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ASSI ( resid 35 and name HD2 )
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ASSI ( resid 16 and name HB1 )
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OR ( resid 16 and name HB1 )
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ASSI ( resid 32 and name HB1 )
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ASSI ( resid 6 and name HB1 )
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ASSI ( resid 35 and name HD1 )
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ASSI ( resid 17 and name HB2 )
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ASSI ( resid 17 and name HB1 )
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ASSI ( resid 7 and name HD1 )
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ASSI ( resid 35 and name HD1 )
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OR ( resid 35 and name HD1 )
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ASSI ( resid 35 and name HA )
( resid 35 and name HB1 )
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ASSI ( resid 7 and name HA )
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ASSI ( resid 30 and name HA )
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OR ( resid 30 and name HA )
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ASSI ( resid 20 and name HA )
( resid 20 and name HG1 )
6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 21.59440 ppm1 4.5695958 ppm2 2.3664134
OR ( resid 20 and name HA )
( resid 33 and name HB1 )
OR ( resid 19 and name HB )
( resid 20 and name HG1 )
OR ( resid 19 and name HB )
( resid 33 and name HB1 )
ASSI ( resid 35 and name HA )
( resid 20 and name HG1 )
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ASSI ( resid 20 and name HA )
( resid 20 and name HG2 )
6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 26.13800 ppm1 4.5712957 ppm2 2.2424948
OR ( resid 19 and name HB )
( resid 20 and name HG2 )
ASSI ( resid 35 and name HA )
( resid 20 and name HG2 )
6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 14.70910 ppm1 4.6131873 ppm2 2.2456849
ASSI ( resid 35 and name HA )
( resid 35 and name HG2 )
6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 18.28130 ppm1 4.6152449 ppm2 2.1504121
OR ( resid 35 and name HA )
( resid 35 and name HG1 )
ASSI ( resid 35 and name HA )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 25.06500 ppm1 4.6119776 ppm2 2.0878501
ASSI ( resid 13 and name HA )
( resid 30 and name HE1 )
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ASSI ( resid 34 and name HA )
( resid 35 and name HG2 )
6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 7.82180 ppm1 4.6989083 ppm2 2.1558383
OR ( resid 34 and name HA )
( resid 35 and name HG1 )
ASSI ( resid 14 and name HA )
( resid 30 and name HE1 )
6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 3.98690 ppm1 4.7518640 ppm2 2.0708108
ASSI ( resid 14 and name HA )
( resid 30 and name HG1 )
6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 17.99190 ppm1 4.7554321 ppm2 2.3608952
OR ( resid 14 and name HA )
( resid 30 and name HG2 )
ASSI ( resid 32 and name HA )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 11.50920 ppm1 4.8346572 ppm2 2.2634032
ASSI ( resid 33 and name HA )
( resid 33 and name HB1 )
6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 23.23800 ppm1 4.8829007 ppm2 2.3542781
OR ( resid 22 and name HA )
( resid 33 and name HB1 )
ASSI ( resid 22 and name HA )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 24.74900 ppm1 4.8865566 ppm2 2.5281875
ASSI ( resid 28 and name HA )
( resid 28 and name HB2 )
6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 12.69790 ppm1 5.1213083 ppm2 2.5260184
OR ( resid 28 and name HA )
( resid 31 and name HB2 )
OR ( resid 31 and name HA )
( resid 28 and name HB2 )
OR ( resid 31 and name HA )
( resid 31 and name HB2 )
ASSI ( resid 22 and name HE3 )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 27.52420 ppm1 5.6800184 ppm2 2.5303977
ASSI ( resid 14 and name HA )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 51.17050 ppm1 4.7537374 ppm2 1.9062020
OR ( resid 14 and name HA )
( resid 30 and name HB1 )
ASSI ( resid 23 and name HA )
( resid 1 and name HB1 )
6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 11.12670 ppm1 4.8513069 ppm2 1.6845082
ASSI ( resid 6 and name HA )
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6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 5.23590 ppm1 5.0424242 ppm2 1.7511947
ASSI ( resid 6 and name HA )
( resid 3 and name HB1 )
6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 3.45390 ppm1 5.0489907 ppm2 1.6549921
OR ( resid 6 and name HA )
( resid 3 and name HG )
ASSI ( resid 25 and name HA )
( resid 3 and name HG )
6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 5.97510 ppm1 5.0859561 ppm2 1.6538043
OR ( resid 25 and name HA )
( resid 3 and name HB1 )
ASSI ( resid 30 and name HA )
( resid 30 and name HE1 )
6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 4.02840 ppm1 4.4908257 ppm2 2.0741439
ASSI ( resid 19 and name HA )
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6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 3.59830 ppm1 4.4600801 ppm2 2.0000713
OR ( resid 19 and name HA )
( resid 18 and name HB1 )
ASSI ( resid 20 and name HA )
( resid 20 and name HB1 )
6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 15.36490 ppm1 4.5701933 ppm2 1.9317478
ASSI ( resid 20 and name HA )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 26.45430 ppm1 4.5711055 ppm2 1.8401289
ASSI ( resid 7 and name HA )
( resid 7 and name HB2 )
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ASSI ( resid 30 and name HA )
( resid 30 and name HB1 )
6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 58.87290 ppm1 4.4916420 ppm2 1.9079919
OR ( resid 30 and name HA )
( resid 30 and name HB2 )
ASSI ( resid 2 and name HA )
( resid 2 and name HB )
6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 17.77580 ppm1 4.4373488 ppm2 1.8711704
ASSI ( resid 7 and name HA )
( resid 7 and name HG1 )
6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 10.14660 ppm1 4.5154319 ppm2 1.7503536
ASSI ( resid 18 and name HA )
( resid 18 and name HB2 )
6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 76.56700 ppm1 4.3913064 ppm2 1.9946903
OR ( resid 18 and name HA )
( resid 18 and name HB1 )
ASSI ( resid 9 and name HA )
( resid 9 and name HB )
6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 55.53290 ppm1 4.3326750 ppm2 2.0213747
ASSI ( resid 38 and name HA )
( resid 35 and name HG2 )
6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 2.97290 ppm1 4.2103858 ppm2 2.1616447
OR ( resid 38 and name HA )
( resid 35 and name HG1 )
ASSI ( resid 18 and name HA )
( resid 18 and name HD2 )
6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 5.81080 ppm1 4.3922896 ppm2 1.7761873
OR ( resid 18 and name HA )
( resid 18 and name HD1 )
ASSI ( resid 8 and name HA )
( resid 8 and name HB2 )
6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 72.81880 ppm1 4.1339588 ppm2 1.9320108
OR ( resid 8 and name HA )
( resid 8 and name HB1 )
ASSI ( resid 7 and name HD1 )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 6.13290 ppm1 4.0798883 ppm2 1.8671308
ASSI ( resid 8 and name HA )
( resid 8 and name HD2 )
6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 8.88330 ppm1 4.1332808 ppm2 1.7537273
OR ( resid 8 and name HA )
( resid 8 and name HD1 )
ASSI ( resid 7 and name HD1 )
( resid 7 and name HG1 )
6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 43.25940 ppm1 4.0798078 ppm2 1.7542697
ASSI ( resid 29 and name HA )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 47.60390 ppm1 4.0425482 ppm2 1.7763919
OR ( resid 29 and name HA )
( resid 29 and name HB1 )
ASSI ( resid 4 and name HA )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 70.81580 ppm1 3.9757667 ppm2 1.8614063
OR ( resid 4 and name HA )
( resid 2 and name HB )
OR ( resid 1 and name HA )
( resid 4 and name HB1 )
OR ( resid 1 and name HA )
( resid 2 and name HB )
ASSI ( resid 1 and name HA )
( resid 1 and name HB1 )
6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 25.16970 ppm1 3.9773161 ppm2 1.6901470
ASSI ( resid 35 and name HD2 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 16.03190 ppm1 3.2856266 ppm2 2.0848522
ASSI ( resid 35 and name HD2 )
( resid 35 and name HG2 )
6.0 0.1 0.1 peak 112 weight 0.11000E+01 volume 44.74970 ppm1 3.2915394 ppm2 2.1633673
OR ( resid 35 and name HD2 )
( resid 35 and name HG1 )
ASSI ( resid 38 and name HB2 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 113 weight 0.11000E+01 volume 3.46770 ppm1 3.1794879 ppm2 2.0897241
ASSI ( resid 38 and name HB2 )
( resid 35 and name HG2 )
6.0 0.1 0.1 peak 114 weight 0.11000E+01 volume 9.17780 ppm1 3.1771777 ppm2 2.1609917
OR ( resid 38 and name HB2 )
( resid 35 and name HG1 )
ASSI ( resid 7 and name HD2 )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 115 weight 0.11000E+01 volume 10.13300 ppm1 3.2291181 ppm2 1.8664693
ASSI ( resid 7 and name HD2 )
( resid 7 and name HG1 )
6.0 0.1 0.1 peak 116 weight 0.11000E+01 volume 18.43200 ppm1 3.2286174 ppm2 1.7482915
ASSI ( resid 25 and name HB1 )
( resid 3 and name HG )
6.0 0.1 0.1 peak 117 weight 0.11000E+01 volume 8.29950 ppm1 3.3631485 ppm2 1.6556832
OR ( resid 25 and name HB1 )
( resid 3 and name HB1 )
ASSI ( resid 25 and name HB2 )
( resid 3 and name HG )
6.0 0.1 0.1 peak 118 weight 0.11000E+01 volume 11.75770 ppm1 3.1645892 ppm2 1.6529375
OR ( resid 25 and name HB2 )
( resid 3 and name HB1 )
ASSI ( resid 14 and name HB1 )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 119 weight 0.11000E+01 volume 4.65600 ppm1 2.9743187 ppm2 1.9062741
OR ( resid 14 and name HB1 )
( resid 30 and name HB1 )
OR ( resid 14 and name HB2 )
( resid 30 and name HB2 )
OR ( resid 14 and name HB2 )
( resid 30 and name HB1 )
ASSI ( resid 16 and name HB1 )
( resid 20 and name HB1 )
6.0 0.1 0.1 peak 120 weight 0.11000E+01 volume 25.79690 ppm1 2.7267013 ppm2 1.9246210
ASSI ( resid 16 and name HB1 )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 121 weight 0.11000E+01 volume 15.21810 ppm1 2.7243907 ppm2 1.8367244
ASSI ( resid 35 and name HB1 )
( resid 35 and name HG1 )
6.0 0.1 0.1 peak 122 weight 0.11000E+01 volume 57.12750 ppm1 2.5018258 ppm2 2.1507537
OR ( resid 35 and name HB1 )
( resid 35 and name HG2 )
ASSI ( resid 35 and name HB1 )
( resid 35 and name HB2 )
6.0 0.1 0.1 peak 123 weight 0.11000E+01 volume 138.54720 ppm1 2.4985750 ppm2 2.0814097
ASSI ( resid 7 and name HB1 )
( resid 7 and name HB2 )
6.0 0.1 0.1 peak 124 weight 0.11000E+01 volume 132.02521 ppm1 2.4639199 ppm2 1.8735459
ASSI ( resid 7 and name HB1 )
( resid 7 and name HG1 )
6.0 0.1 0.1 peak 125 weight 0.11000E+01 volume 13.35870 ppm1 2.4604545 ppm2 1.7512033
ASSI ( resid 30 and name HG2 )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 126 weight 0.11000E+01 volume 88.21940 ppm1 2.3541789 ppm2 1.9139309
OR ( resid 30 and name HG2 )
( resid 30 and name HB1 )
OR ( resid 30 and name HG1 )
( resid 30 and name HB2 )
OR ( resid 30 and name HG1 )
( resid 30 and name HB1 )
ASSI ( resid 30 and name HG2 )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 127 weight 0.11000E+01 volume 22.80160 ppm1 2.3569734 ppm2 1.7831739
OR ( resid 30 and name HG2 )
( resid 29 and name HB1 )
OR ( resid 30 and name HG1 )
( resid 29 and name HB2 )
OR ( resid 30 and name HG1 )
( resid 29 and name HB1 )
ASSI ( resid 20 and name HG2 )
( resid 20 and name HB2 )
6.0 0.1 0.1 peak 128 weight 0.11000E+01 volume 18.90310 ppm1 2.2429273 ppm2 1.8370733
ASSI ( resid 18 and name HB1 )
( resid 18 and name HG2 )
6.0 0.1 0.1 peak 129 weight 0.11000E+01 volume 53.09670 ppm1 1.9901364 ppm2 1.6238079
OR ( resid 18 and name HB1 )
( resid 18 and name HG1 )
OR ( resid 18 and name HB2 )
( resid 18 and name HG2 )
OR ( resid 18 and name HB2 )
( resid 18 and name HG1 )
ASSI ( resid 8 and name HB1 )
( resid 8 and name HG2 )
6.0 0.1 0.1 peak 130 weight 0.11000E+01 volume 56.92750 ppm1 1.9214376 ppm2 1.5853739
OR ( resid 8 and name HB1 )
( resid 8 and name HG1 )
OR ( resid 8 and name HB2 )
( resid 8 and name HG2 )
OR ( resid 8 and name HB2 )
( resid 8 and name HG1 )
ASSI ( resid 4 and name HB1 )
( resid 4 and name HD1 )
6.0 0.1 0.1 peak 131 weight 0.11000E+01 volume 25.72910 ppm1 1.8436470 ppm2 1.5471418
OR ( resid 4 and name HB1 )
( resid 4 and name HD2 )
ASSI ( resid 7 and name HB2 )
( resid 7 and name HG2 )
6.0 0.1 0.1 peak 132 weight 0.11000E+01 volume 52.03380 ppm1 1.8682733 ppm2 1.4105842
OR ( resid 7 and name HB2 )
( resid 4 and name HG1 )
OR ( resid 7 and name HB2 )
( resid 4 and name HG2 )
OR ( resid 4 and name HB1 )
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OR ( resid 4 and name HB1 )
( resid 4 and name HG1 )
OR ( resid 4 and name HB1 )
( resid 4 and name HG2 )
OR ( resid 2 and name HB )
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OR ( resid 2 and name HB )
( resid 4 and name HG1 )
OR ( resid 2 and name HB )
( resid 4 and name HG2 )
ASSI ( resid 7 and name HG1 )
( resid 7 and name HG2 )
6.0 0.1 0.1 peak 133 weight 0.11000E+01 volume 142.02921 ppm1 1.7583007 ppm2 1.4110793
ASSI ( resid 3 and name HB1 )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 134 weight 0.11000E+01 volume 207.10150 ppm1 1.6555434 ppm2 1.4471685
OR ( resid 3 and name HG )
( resid 3 and name HB2 )
ASSI ( resid 4 and name HB2 )
( resid 4 and name HD2 )
6.0 0.1 0.1 peak 135 weight 0.11000E+01 volume 61.99880 ppm1 1.7154492 ppm2 1.5657972
OR ( resid 4 and name HB2 )
( resid 4 and name HD1 )
ASSI ( resid 4 and name HD2 )
( resid 4 and name HG1 )
6.0 0.1 0.1 peak 136 weight 0.11000E+01 volume 18.43070 ppm1 1.5675876 ppm2 1.4101964
OR ( resid 4 and name HD2 )
( resid 4 and name HG2 )
OR ( resid 4 and name HD1 )
( resid 4 and name HG1 )
OR ( resid 4 and name HD1 )
( resid 4 and name HG2 )
ASSI ( resid 39 and name HD2 )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 137 weight 0.11000E+01 volume 82.90190 ppm1 1.4966871 ppm2 1.3497397
OR ( resid 39 and name HD2 )
( resid 39 and name HB1 )
OR ( resid 39 and name HD1 )
( resid 39 and name HB2 )
OR ( resid 39 and name HD1 )
( resid 39 and name HB1 )
ASSI ( resid 21 and name HG11 )
( resid 21 and name HG12 )
6.0 0.1 0.1 peak 138 weight 0.11000E+01 volume 149.89970 ppm1 1.6396645 ppm2 1.2850943
ASSI ( resid 21 and name HB )
( resid 21 and name HG12 )
6.0 0.1 0.1 peak 139 weight 0.11000E+01 volume 71.59170 ppm1 1.7022613 ppm2 1.2890396
OR ( resid 21 and name HB )
( resid 34 and name HB1 )
ASSI ( resid 39 and name HD2 )
( resid 39 and name HG2 )
6.0 0.1 0.1 peak 140 weight 0.11000E+01 volume 62.36330 ppm1 1.5075189 ppm2 1.1524454
OR ( resid 39 and name HD2 )
( resid 39 and name HG1 )
OR ( resid 39 and name HD1 )
( resid 39 and name HG2 )
OR ( resid 39 and name HD1 )
( resid 39 and name HG1 )
ASSI ( resid 21 and name HG11 )
( resid 21 and name HD11 )
6.0 0.1 0.1 peak 141 weight 0.11000E+01 volume 42.56810 ppm1 1.6322770 ppm2 1.1084971
OR ( resid 21 and name HG11 )
( resid 41 and name HG2 )
OR ( resid 21 and name HG11 )
( resid 41 and name HG1 )
OR ( resid 41 and name HB2 )
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OR ( resid 41 and name HB2 )
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OR ( resid 41 and name HB2 )
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OR ( resid 41 and name HB1 )
( resid 21 and name HD11 )
OR ( resid 41 and name HB1 )
( resid 41 and name HG2 )
OR ( resid 41 and name HB1 )
( resid 41 and name HG1 )
ASSI ( resid 21 and name HB )
( resid 21 and name HD11 )
6.0 0.1 0.1 peak 142 weight 0.11000E+01 volume 23.50030 ppm1 1.7055453 ppm2 1.1108375
ASSI ( resid 7 and name HB2 )
( resid 34 and name HB1 )
6.0 0.1 0.1 peak 143 weight 0.11000E+01 volume 9.08110 ppm1 1.8644660 ppm2 1.3056706
ASSI ( resid 18 and name HB2 )
( resid 19 and name HG21 )
6.0 0.1 0.1 peak 144 weight 0.11000E+01 volume 10.19430 ppm1 1.9984655 ppm2 1.2142106
OR ( resid 18 and name HB1 )
( resid 19 and name HG21 )
ASSI ( resid 9 and name HB )
( resid 9 and name HG12 )
6.0 0.1 0.1 peak 145 weight 0.11000E+01 volume 47.78200 ppm1 2.0192585 ppm2 1.3234875
OR ( resid 9 and name HB )
( resid 9 and name HG11 )
ASSI ( resid 35 and name HG2 )
( resid 9 and name HG12 )
6.0 0.1 0.1 peak 146 weight 0.11000E+01 volume 17.67620 ppm1 2.1544132 ppm2 1.3163608
OR ( resid 35 and name HG2 )
( resid 9 and name HG11 )
ASSI ( resid 32 and name HB2 )
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6.0 0.1 0.1 peak 147 weight 0.11000E+01 volume 30.53010 ppm1 2.2604086 ppm2 1.3944299
ASSI ( resid 33 and name HB1 )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 148 weight 0.11000E+01 volume 111.86240 ppm1 2.3582418 ppm2 1.4529569
ASSI ( resid 7 and name HB1 )
( resid 7 and name HG2 )
6.0 0.1 0.1 peak 149 weight 0.11000E+01 volume 9.81250 ppm1 2.4570787 ppm2 1.4136797
ASSI ( resid 32 and name HB1 )
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6.0 0.1 0.1 peak 150 weight 0.11000E+01 volume 11.92960 ppm1 2.8195457 ppm2 1.3969675
ASSI ( resid 4 and name HE2 )
( resid 4 and name HG2 )
6.0 0.1 0.1 peak 151 weight 0.11000E+01 volume 6.09510 ppm1 3.0064383 ppm2 1.4077632
OR ( resid 4 and name HE2 )
( resid 4 and name HG1 )
OR ( resid 4 and name HE1 )
( resid 4 and name HG2 )
OR ( resid 4 and name HE1 )
( resid 4 and name HG1 )
ASSI ( resid 14 and name HB2 )
( resid 15 and name HG21 )
6.0 0.1 0.1 peak 152 weight 0.11000E+01 volume 10.96120 ppm1 2.9733100 ppm2 1.2296519
OR ( resid 14 and name HB1 )
( resid 15 and name HG21 )
ASSI ( resid 39 and name HE2 )
( resid 39 and name HG2 )
6.0 0.1 0.1 peak 153 weight 0.11000E+01 volume 10.91930 ppm1 2.8792171 ppm2 1.1580241
OR ( resid 39 and name HE2 )
( resid 39 and name HG1 )
OR ( resid 39 and name HE1 )
( resid 39 and name HG2 )
OR ( resid 39 and name HE1 )
( resid 39 and name HG1 )
ASSI ( resid 25 and name HB2 )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 154 weight 0.11000E+01 volume 25.31310 ppm1 3.1615515 ppm2 1.4361943
ASSI ( resid 7 and name HD2 )
( resid 7 and name HG2 )
6.0 0.1 0.1 peak 155 weight 0.11000E+01 volume 35.91360 ppm1 3.2294478 ppm2 1.4095131
OR ( resid 7 and name HD2 )
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OR ( resid 7 and name HD2 )
( resid 4 and name HG1 )
OR ( resid 26 and name HB2 )
( resid 7 and name HG2 )
OR ( resid 26 and name HB2 )
( resid 23 and name HB1 )
OR ( resid 26 and name HB2 )
( resid 4 and name HG1 )
ASSI ( resid 25 and name HB1 )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 156 weight 0.11000E+01 volume 18.28550 ppm1 3.3575623 ppm2 1.4455390
ASSI ( resid 35 and name HD2 )
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6.0 0.1 0.1 peak 157 weight 0.11000E+01 volume 23.49680 ppm1 3.2863607 ppm2 1.2997317
ASSI ( resid 38 and name HB2 )
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6.0 0.1 0.1 peak 158 weight 0.11000E+01 volume 6.46030 ppm1 3.1780262 ppm2 1.2832532
ASSI ( resid 38 and name HB1 )
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6.0 0.1 0.1 peak 159 weight 0.11000E+01 volume 6.52520 ppm1 3.2517056 ppm2 1.2189618
OR ( resid 10 and name HA2 )
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ASSI ( resid 40 and name HB1 )
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6.0 0.1 0.1 peak 160 weight 0.11000E+01 volume 9.89670 ppm1 3.1743095 ppm2 1.1120604
OR ( resid 40 and name HB1 )
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OR ( resid 40 and name HB1 )
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OR ( resid 38 and name HB2 )
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OR ( resid 38 and name HB2 )
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OR ( resid 38 and name HB2 )
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OR ( resid 40 and name HB2 )
( resid 41 and name HG1 )
OR ( resid 40 and name HB2 )
( resid 41 and name HG2 )
OR ( resid 40 and name HB2 )
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ASSI ( resid 38 and name HB1 )
( resid 21 and name HD11 )
6.0 0.1 0.1 peak 161 weight 0.11000E+01 volume 16.80250 ppm1 3.2563264 ppm2 1.1108727
ASSI ( resid 37 and name HB2 )
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6.0 0.1 0.1 peak 162 weight 0.11000E+01 volume 3.13740 ppm1 3.8349872 ppm2 1.5218489
ASSI ( resid 35 and name HD1 )
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6.0 0.1 0.1 peak 163 weight 0.11000E+01 volume 10.53500 ppm1 3.7841065 ppm2 1.2926507
ASSI ( resid 35 and name HD1 )
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6.0 0.1 0.1 peak 164 weight 0.11000E+01 volume 3.92930 ppm1 3.7726083 ppm2 1.2225251
OR ( resid 35 and name HD1 )
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OR ( resid 17 and name HB2 )
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OR ( resid 17 and name HB2 )
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ASSI ( resid 29 and name HA )
( resid 29 and name HD1 )
6.0 0.1 0.1 peak 165 weight 0.11000E+01 volume 4.05380 ppm1 4.0439873 ppm2 1.6678460
OR ( resid 29 and name HA )
( resid 29 and name HD2 )
ASSI ( resid 4 and name HA )
( resid 4 and name HD1 )
6.0 0.1 0.1 peak 166 weight 0.11000E+01 volume 53.91050 ppm1 3.9767632 ppm2 1.5659486
OR ( resid 4 and name HA )
( resid 4 and name HD2 )
ASSI ( resid 29 and name HA )
( resid 29 and name HG1 )
6.0 0.1 0.1 peak 167 weight 0.11000E+01 volume 58.99870 ppm1 4.0446267 ppm2 1.5089794
OR ( resid 29 and name HA )
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OR ( resid 29 and name HA )
( resid 39 and name HD2 )
OR ( resid 39 and name HA )
( resid 29 and name HG1 )
OR ( resid 39 and name HA )
( resid 39 and name HD1 )
OR ( resid 39 and name HA )
( resid 39 and name HD2 )
ASSI ( resid 1 and name HA )
( resid 1 and name HG )
6.0 0.1 0.1 peak 168 weight 0.11000E+01 volume 24.80920 ppm1 3.9763188 ppm2 1.4177051
OR ( resid 1 and name HA )
( resid 4 and name HG1 )
OR ( resid 1 and name HA )
( resid 4 and name HG2 )
OR ( resid 4 and name HA )
( resid 1 and name HG )
OR ( resid 4 and name HA )
( resid 4 and name HG1 )
OR ( resid 4 and name HA )
( resid 4 and name HG2 )
ASSI ( resid 39 and name HA )
( resid 39 and name HB2 )
6.0 0.1 0.1 peak 169 weight 0.11000E+01 volume 34.24040 ppm1 4.0463829 ppm2 1.3721870
OR ( resid 39 and name HA )
( resid 39 and name HB1 )
ASSI ( resid 7 and name HD1 )
( resid 7 and name HG2 )
6.0 0.1 0.1 peak 170 weight 0.11000E+01 volume 39.02750 ppm1 4.0766225 ppm2 1.4105403
ASSI ( resid 8 and name HA )
( resid 8 and name HG1 )
6.0 0.1 0.1 peak 171 weight 0.11000E+01 volume 21.16840 ppm1 4.1326756 ppm2 1.5916715
OR ( resid 8 and name HA )
( resid 8 and name HG2 )
ASSI ( resid 36 and name HA )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 172 weight 0.11000E+01 volume 100.94100 ppm1 4.1636128 ppm2 1.5194733
ASSI ( resid 36 and name HA )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 173 weight 0.11000E+01 volume 25.01220 ppm1 4.1657567 ppm2 1.6397973
ASSI ( resid 37 and name HA )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 174 weight 0.11000E+01 volume 6.47500 ppm1 4.2708120 ppm2 1.5216647
ASSI ( resid 21 and name HA )
( resid 21 and name HG11 )
6.0 0.1 0.1 peak 175 weight 0.11000E+01 volume 17.78970 ppm1 4.2594919 ppm2 1.6370647
ASSI ( resid 21 and name HA )
( resid 21 and name HB )
6.0 0.1 0.1 peak 176 weight 0.11000E+01 volume 25.28890 ppm1 4.2583370 ppm2 1.7118956
ASSI ( resid 15 and name HB )
( resid 15 and name HG21 )
6.0 0.1 0.1 peak 177 weight 0.11000E+01 volume 70.67570 ppm1 4.0273032 ppm2 1.2308397
ASSI ( resid 39 and name HA )
( resid 39 and name HG1 )
6.0 0.1 0.1 peak 178 weight 0.11000E+01 volume 19.73340 ppm1 4.0441699 ppm2 1.1561123
OR ( resid 39 and name HA )
( resid 39 and name HG2 )
ASSI ( resid 41 and name HA )
( resid 41 and name HG2 )
6.0 0.1 0.1 peak 179 weight 0.11000E+01 volume 5.95580 ppm1 4.0103512 ppm2 1.1157126
OR ( resid 41 and name HA )
( resid 41 and name HG1 )
ASSI ( resid 15 and name HA )
( resid 15 and name HG21 )
6.0 0.1 0.1 peak 180 weight 0.11000E+01 volume 35.06910 ppm1 4.1079607 ppm2 1.2290076
ASSI ( resid 36 and name HA )
( resid 21 and name HG12 )
6.0 0.1 0.1 peak 181 weight 0.11000E+01 volume 18.09580 ppm1 4.1673703 ppm2 1.2848278
ASSI ( resid 24 and name HB )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 182 weight 0.11000E+01 volume 71.38770 ppm1 4.2097359 ppm2 1.2514628
ASSI ( resid 21 and name HA )
( resid 21 and name HG12 )
6.0 0.1 0.1 peak 183 weight 0.11000E+01 volume 31.22510 ppm1 4.2594919 ppm2 1.2819148
ASSI ( resid 9 and name HA )
( resid 9 and name HG11 )
6.0 0.1 0.1 peak 184 weight 0.11000E+01 volume 28.06840 ppm1 4.3327131 ppm2 1.3317482
OR ( resid 9 and name HA )
( resid 9 and name HG12 )
ASSI ( resid 9 and name HA )
( resid 8 and name HG2 )
6.0 0.1 0.1 peak 185 weight 0.11000E+01 volume 2.80940 ppm1 4.3328562 ppm2 1.5816727
OR ( resid 9 and name HA )
( resid 8 and name HG1 )
ASSI ( resid 18 and name HA )
( resid 18 and name HG1 )
6.0 0.1 0.1 peak 186 weight 0.11000E+01 volume 19.58500 ppm1 4.3940496 ppm2 1.6311258
OR ( resid 18 and name HA )
( resid 18 and name HG2 )
ASSI ( resid 19 and name HA )
( resid 18 and name HG2 )
6.0 0.1 0.1 peak 187 weight 0.11000E+01 volume 1.91960 ppm1 4.4605269 ppm2 1.6334692
OR ( resid 19 and name HA )
( resid 18 and name HG1 )
OR ( resid 19 and name HA )
( resid 21 and name HG11 )
ASSI ( resid 2 and name HA )
( resid 3 and name HG )
6.0 0.1 0.1 peak 188 weight 0.11000E+01 volume 3.07370 ppm1 4.4356356 ppm2 1.6631962
ASSI ( resid 19 and name HA )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 189 weight 0.11000E+01 volume 4.86350 ppm1 4.4605269 ppm2 1.5233427
ASSI ( resid 2 and name HA )
( resid 1 and name HG )
6.0 0.1 0.1 peak 190 weight 0.11000E+01 volume 2.93920 ppm1 4.4344807 ppm2 1.4244499
ASSI ( resid 7 and name HA )
( resid 7 and name HG2 )
6.0 0.1 0.1 peak 191 weight 0.11000E+01 volume 4.71070 ppm1 4.5136042 ppm2 1.4098476
ASSI ( resid 19 and name HA )
( resid 19 and name HG21 )
6.0 0.1 0.1 peak 192 weight 0.11000E+01 volume 57.69030 ppm1 4.4609175 ppm2 1.2212504
ASSI ( resid 18 and name HA )
( resid 19 and name HG21 )
6.0 0.1 0.1 peak 193 weight 0.11000E+01 volume 1.71290 ppm1 4.3926735 ppm2 1.2231741
ASSI ( resid 3 and name HA )
( resid 3 and name HB1 )
6.0 0.1 0.1 peak 194 weight 0.11000E+01 volume 39.94490 ppm1 4.5832906 ppm2 1.6532129
OR ( resid 3 and name HA )
( resid 3 and name HG )
ASSI ( resid 17 and name HA )
( resid 18 and name HG2 )
6.0 0.1 0.1 peak 195 weight 0.11000E+01 volume 23.52800 ppm1 4.6261759 ppm2 1.6398913
OR ( resid 17 and name HA )
( resid 18 and name HG1 )
ASSI ( resid 13 and name HA )
( resid 29 and name HD2 )
6.0 0.1 0.1 peak 196 weight 0.11000E+01 volume 6.07250 ppm1 4.6868634 ppm2 1.6833972
ASSI ( resid 19 and name HB )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 197 weight 0.11000E+01 volume 24.23690 ppm1 4.5679951 ppm2 1.5218303
OR ( resid 20 and name HA )
( resid 36 and name HB1 )
ASSI ( resid 35 and name HA )
( resid 36 and name HB1 )
6.0 0.1 0.1 peak 198 weight 0.11000E+01 volume 5.58850 ppm1 4.6083140 ppm2 1.5218489
ASSI ( resid 3 and name HA )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 199 weight 0.11000E+01 volume 16.78420 ppm1 4.5898314 ppm2 1.4398912
ASSI ( resid 24 and name HA )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 200 weight 0.11000E+01 volume 6.28240 ppm1 4.6732039 ppm2 1.3954612
ASSI ( resid 19 and name HB )
( resid 19 and name HG21 )
6.0 0.1 0.1 peak 201 weight 0.11000E+01 volume 94.43740 ppm1 4.5701933 ppm2 1.2177740
OR ( resid 20 and name HA )
( resid 19 and name HG21 )
ASSI ( resid 10 and name HA1 )
( resid 34 and name HG )
6.0 0.1 0.1 peak 202 weight 0.11000E+01 volume 7.79100 ppm1 4.6402125 ppm2 1.2250242
ASSI ( resid 34 and name HA )
( resid 34 and name HG )
6.0 0.1 0.1 peak 203 weight 0.11000E+01 volume 40.33900 ppm1 4.7007275 ppm2 1.2130228
ASSI ( resid 34 and name HA )
( resid 34 and name HB1 )
6.0 0.1 0.1 peak 204 weight 0.11000E+01 volume 15.93990 ppm1 4.7041931 ppm2 1.2961683
ASSI ( resid 24 and name HA )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 205 weight 0.11000E+01 volume 58.89080 ppm1 4.6765962 ppm2 1.2509447
ASSI ( resid 33 and name HA )
( resid 33 and name HB2 )
6.0 0.1 0.1 peak 206 weight 0.11000E+01 volume 8.33340 ppm1 4.8907328 ppm2 1.4577081
OR ( resid 22 and name HA )
( resid 33 and name HB2 )
ASSI ( resid 22 and name HA )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 207 weight 0.11000E+01 volume 20.85750 ppm1 4.8895774 ppm2 1.3947551
OR ( resid 33 and name HA )
( resid 23 and name HB1 )
ASSI ( resid 23 and name HA )
( resid 23 and name HB1 )
6.0 0.1 0.1 peak 208 weight 0.11000E+01 volume 83.81350 ppm1 4.8418546 ppm2 1.3916564
OR ( resid 32 and name HA )
( resid 23 and name HB1 )
ASSI ( resid 23 and name HA )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 209 weight 0.11000E+01 volume 7.05350 ppm1 4.8467913 ppm2 1.2478540
ASSI ( resid 6 and name HA )
( resid 7 and name HG2 )
6.0 0.1 0.1 peak 210 weight 0.11000E+01 volume 10.24430 ppm1 5.0452213 ppm2 1.4234158
ASSI ( resid 25 and name HA )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 211 weight 0.11000E+01 volume 14.86620 ppm1 5.0858235 ppm2 1.4492757
ASSI ( resid 31 and name HA )
( resid 24 and name HG21 )
6.0 0.1 0.1 peak 212 weight 0.11000E+01 volume 8.83410 ppm1 5.1117759 ppm2 1.2506046
ASSI ( resid 22 and name HE3 )
( resid 15 and name HG21 )
6.0 0.1 0.1 peak 213 weight 0.11000E+01 volume 1.58830 ppm1 5.6807895 ppm2 1.2355909
ASSI ( resid 22 and name HA )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 214 weight 0.11000E+01 volume 7.54840 ppm1 4.8843217 ppm2 0.9610416
ASSI ( resid 25 and name HA )
( resid 2 and name HG12 )
6.0 0.1 0.1 peak 215 weight 0.11000E+01 volume 2.22930 ppm1 5.0795832 ppm2 0.8553868
OR ( resid 25 and name HA )
( resid 2 and name HG13 )
OR ( resid 25 and name HA )
( resid 2 and name HG11 )
ASSI ( resid 25 and name HA )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 20.31370 ppm1 5.0840998 ppm2 0.6982653
OR ( resid 25 and name HA )
( resid 3 and name HD22 )
OR ( resid 25 and name HA )
( resid 3 and name HD23 )
ASSI ( resid 6 and name HA )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 217 weight 0.11000E+01 volume 18.10620 ppm1 5.0437727 ppm2 0.6819691
OR ( resid 6 and name HA )
( resid 3 and name HD22 )
OR ( resid 6 and name HA )
( resid 3 and name HD23 )
ASSI ( resid 34 and name HA )
( resid 34 and name HB2 )
6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 28.83110 ppm1 4.6998734 ppm2 1.0001429
ASSI ( resid 34 and name HA )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 3.60080 ppm1 4.6941147 ppm2 0.8671223
ASSI ( resid 3 and name HA )
( resid 3 and name HD13 )
6.0 0.1 0.1 peak 220 weight 0.11000E+01 volume 60.79960 ppm1 4.5915637 ppm2 0.9319286
OR ( resid 3 and name HA )
( resid 3 and name HD11 )
OR ( resid 3 and name HA )
( resid 3 and name HD12 )
ASSI ( resid 3 and name HA )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 8.88660 ppm1 4.5915637 ppm2 0.6869769
OR ( resid 3 and name HA )
( resid 3 and name HD22 )
OR ( resid 3 and name HA )
( resid 3 and name HD23 )
ASSI ( resid 26 and name HA )
( resid 2 and name HG21 )
6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 3.01560 ppm1 4.4945097 ppm2 0.7021616
OR ( resid 26 and name HA )
( resid 2 and name HG22 )
OR ( resid 26 and name HA )
( resid 2 and name HG23 )
ASSI ( resid 2 and name HA )
( resid 2 and name HG23 )
6.0 0.1 0.1 peak 223 weight 0.11000E+01 volume 36.80520 ppm1 4.4367514 ppm2 0.7009738
OR ( resid 2 and name HA )
( resid 2 and name HG21 )
OR ( resid 2 and name HA )
( resid 2 and name HG22 )
ASSI ( resid 2 and name HA )
( resid 2 and name HG12 )
6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 41.90430 ppm1 4.4367514 ppm2 0.8589502
OR ( resid 2 and name HA )
( resid 2 and name HG13 )
OR ( resid 2 and name HA )
( resid 2 and name HG11 )
ASSI ( resid 9 and name HA )
( resid 9 and name HD11 )
6.0 0.1 0.1 peak 225 weight 0.11000E+01 volume 13.28180 ppm1 4.3325157 ppm2 0.9748550
ASSI ( resid 9 and name HA )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 226 weight 0.11000E+01 volume 38.16190 ppm1 4.3324213 ppm2 0.8675939
ASSI ( resid 21 and name HA )
( resid 21 and name HD11 )
6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 15.39630 ppm1 4.2588949 ppm2 1.1143255
ASSI ( resid 21 and name HA )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 37.26980 ppm1 4.2676921 ppm2 0.9570518
ASSI ( resid 36 and name HA )
( resid 21 and name HD11 )
6.0 0.1 0.1 peak 229 weight 0.11000E+01 volume 22.16830 ppm1 4.1653547 ppm2 1.1112458
ASSI ( resid 38 and name HA )
( resid 9 and name HD11 )
6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 3.30670 ppm1 4.2156720 ppm2 0.9774457
ASSI ( resid 36 and name HA )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 4.10770 ppm1 4.1661067 ppm2 0.9600715
ASSI ( resid 24 and name HB )
( resid 2 and name HG11 )
6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 14.92230 ppm1 4.2092004 ppm2 0.8598131
OR ( resid 24 and name HB )
( resid 2 and name HG12 )
OR ( resid 24 and name HB )
( resid 2 and name HG13 )
OR ( resid 24 and name HB )
( resid 9 and name HG21 )
OR ( resid 38 and name HA )
( resid 2 and name HG11 )
OR ( resid 38 and name HA )
( resid 2 and name HG12 )
OR ( resid 38 and name HA )
( resid 2 and name HG13 )
OR ( resid 38 and name HA )
( resid 9 and name HG21 )
ASSI ( resid 24 and name HB )
( resid 2 and name HG21 )
6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 6.21810 ppm1 4.2068305 ppm2 0.6994441
OR ( resid 24 and name HB )
( resid 2 and name HG22 )
OR ( resid 24 and name HB )
( resid 2 and name HG23 )
ASSI ( resid 7 and name HD1 )
( resid 3 and name HD11 )
6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 4.09670 ppm1 4.0815959 ppm2 0.9302177
OR ( resid 7 and name HD1 )
( resid 3 and name HD13 )
OR ( resid 7 and name HD1 )
( resid 3 and name HD12 )
ASSI ( resid 7 and name HD1 )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 26.00350 ppm1 4.0796728 ppm2 0.6822605
OR ( resid 7 and name HD1 )
( resid 3 and name HD22 )
OR ( resid 7 and name HD1 )
( resid 3 and name HD23 )
ASSI ( resid 1 and name HA )
( resid 2 and name HG21 )
6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 1.84080 ppm1 3.9765732 ppm2 0.7013838
OR ( resid 1 and name HA )
( resid 2 and name HG22 )
OR ( resid 1 and name HA )
( resid 2 and name HG23 )
ASSI ( resid 1 and name HA )
( resid 1 and name HD13 )
6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 37.68300 ppm1 3.9779539 ppm2 0.8613667
OR ( resid 1 and name HA )
( resid 1 and name HD12 )
OR ( resid 1 and name HA )
( resid 1 and name HD11 )
OR ( resid 1 and name HA )
( resid 2 and name HG12 )
OR ( resid 1 and name HA )
( resid 2 and name HG11 )
OR ( resid 4 and name HA )
( resid 1 and name HD13 )
OR ( resid 4 and name HA )
( resid 1 and name HD12 )
OR ( resid 4 and name HA )
( resid 1 and name HD11 )
OR ( resid 4 and name HA )
( resid 2 and name HG12 )
OR ( resid 4 and name HA )
( resid 2 and name HG11 )
ASSI ( resid 35 and name HD1 )
( resid 34 and name HB2 )
6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 16.32840 ppm1 3.7818782 ppm2 0.9920011
ASSI ( resid 35 and name HD1 )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 8.15680 ppm1 3.7858729 ppm2 0.8684525
ASSI ( resid 35 and name HD2 )
( resid 34 and name HB2 )
6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 45.29650 ppm1 3.2880738 ppm2 0.9967341
ASSI ( resid 10 and name HA2 )
( resid 9 and name HD11 )
6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 13.17470 ppm1 3.2467933 ppm2 0.9876648
OR ( resid 10 and name HA2 )
( resid 34 and name HB2 )
OR ( resid 38 and name HB1 )
( resid 9 and name HD11 )
OR ( resid 38 and name HB1 )
( resid 34 and name HB2 )
ASSI ( resid 38 and name HB2 )
( resid 34 and name HB2 )
6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 20.61780 ppm1 3.1786432 ppm2 0.9880466
OR ( resid 38 and name HB2 )
( resid 9 and name HD11 )
OR ( resid 40 and name HB2 )
( resid 34 and name HB2 )
OR ( resid 40 and name HB2 )
( resid 9 and name HD11 )
ASSI ( resid 40 and name HB2 )
( resid 1 and name HD12 )
6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 8.49640 ppm1 3.1725569 ppm2 0.8589502
OR ( resid 40 and name HB2 )
( resid 1 and name HD13 )
OR ( resid 40 and name HB2 )
( resid 1 and name HD11 )
OR ( resid 40 and name HB2 )
( resid 9 and name HG21 )
OR ( resid 40 and name HB1 )
( resid 1 and name HD12 )
OR ( resid 40 and name HB1 )
( resid 1 and name HD13 )
OR ( resid 40 and name HB1 )
( resid 1 and name HD11 )
OR ( resid 40 and name HB1 )
( resid 9 and name HG21 )
OR ( resid 38 and name HB2 )
( resid 1 and name HD12 )
OR ( resid 38 and name HB2 )
( resid 1 and name HD13 )
OR ( resid 38 and name HB2 )
( resid 1 and name HD11 )
OR ( resid 38 and name HB2 )
( resid 9 and name HG21 )
ASSI ( resid 35 and name HD2 )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 11.95670 ppm1 3.2900534 ppm2 0.8663644
ASSI ( resid 10 and name HA2 )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 4.31670 ppm1 3.2384017 ppm2 0.8684525
ASSI ( resid 25 and name HB2 )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 10.23900 ppm1 3.1604769 ppm2 0.6815261
OR ( resid 25 and name HB2 )
( resid 3 and name HD22 )
OR ( resid 25 and name HB2 )
( resid 3 and name HD23 )
ASSI ( resid 7 and name HD2 )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 14.41190 ppm1 3.2291043 ppm2 0.6817744
OR ( resid 7 and name HD2 )
( resid 3 and name HD22 )
OR ( resid 7 and name HD2 )
( resid 3 and name HD23 )
ASSI ( resid 25 and name HB1 )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 6.84590 ppm1 3.3608494 ppm2 0.6843447
OR ( resid 25 and name HB1 )
( resid 3 and name HD23 )
OR ( resid 25 and name HB1 )
( resid 3 and name HD22 )
ASSI ( resid 7 and name HB1 )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 3.29300 ppm1 2.4645584 ppm2 0.8694081
ASSI ( resid 32 and name HB2 )
( resid 3 and name HD21 )
6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 5.76490 ppm1 2.2623627 ppm2 0.6819691
OR ( resid 32 and name HB2 )
( resid 3 and name HD23 )
OR ( resid 32 and name HB2 )
( resid 3 and name HD22 )
ASSI ( resid 35 and name HG1 )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 9.34290 ppm1 2.1572423 ppm2 0.8696404
OR ( resid 35 and name HG2 )
( resid 9 and name HG21 )
ASSI ( resid 35 and name HG2 )
( resid 9 and name HD11 )
6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 23.12460 ppm1 2.1549320 ppm2 0.9741660
OR ( resid 35 and name HG1 )
( resid 9 and name HD11 )
ASSI ( resid 9 and name HB )
( resid 9 and name HD11 )
6.0 0.1 0.1 peak 253 weight 0.11000E+01 volume 26.13560 ppm1 2.0211995 ppm2 0.9740643
ASSI ( resid 9 and name HB )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 70.99920 ppm1 2.0179183 ppm2 0.8684348
ASSI ( resid 2 and name HB )
( resid 2 and name HG12 )
6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 92.31620 ppm1 1.8643990 ppm2 0.8618223
OR ( resid 2 and name HB )
( resid 2 and name HG13 )
OR ( resid 2 and name HB )
( resid 2 and name HG11 )
OR ( resid 2 and name HB )
( resid 9 and name HG21 )
OR ( resid 7 and name HB2 )
( resid 2 and name HG12 )
OR ( resid 7 and name HB2 )
( resid 2 and name HG13 )
OR ( resid 7 and name HB2 )
( resid 2 and name HG11 )
OR ( resid 7 and name HB2 )
( resid 9 and name HG21 )
OR ( resid 4 and name HB1 )
( resid 2 and name HG12 )
OR ( resid 4 and name HB1 )
( resid 2 and name HG13 )
OR ( resid 4 and name HB1 )
( resid 2 and name HG11 )
OR ( resid 4 and name HB1 )
( resid 9 and name HG21 )
ASSI ( resid 8 and name HB2 )
( resid 9 and name HG21 )
6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 4.96430 ppm1 1.9308686 ppm2 0.8755793
OR ( resid 8 and name HB1 )
( resid 9 and name HG21 )
ASSI ( resid 2 and name HB )
( resid 2 and name HG21 )
6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 64.35590 ppm1 1.8650867 ppm2 0.7024513
OR ( resid 2 and name HB )
( resid 2 and name HG22 )
OR ( resid 2 and name HB )
( resid 2 and name HG23 )
ASSI ( resid 21 and name HB )
( resid 21 and name HG21 )
6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 90.59050 ppm1 1.7017850 ppm2 0.9576047
ASSI ( resid 3 and name HG )
( resid 3 and name HD12 )
6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 88.69010 ppm1 1.6535342 ppm2 0.9341710
OR ( resid 3 and name HG )
( resid 3 and name HD13 )
OR ( resid 3 and name HG )
( resid 3 and name HD11 )
OR ( resid 3 and name HB1 )
( resid 3 and name HD12 )
OR ( resid 3 and name HB1 )
( resid 3 and name HD13 )
OR ( resid 3 and name HB1 )
( resid 3 and name HD11 )
ASSI ( resid 1 and name HB1 )
( resid 1 and name HD21 )
6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 30.93820 ppm1 1.6881087 ppm2 0.8378120
OR ( resid 1 and name HB1 )
( resid 1 and name HD22 )
OR ( resid 1 and name HB1 )
( resid 1 and name HD23 )
ASSI ( resid 1 and name HB2 )
( resid 3 and name HD12 )
6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 6.70150 ppm1 1.5843573 ppm2 0.9337811
OR ( resid 1 and name HB2 )
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OR ( resid 1 and name HB2 )
( resid 3 and name HD13 )
OR ( resid 4 and name HD1 )
( resid 3 and name HD12 )
OR ( resid 4 and name HD1 )
( resid 3 and name HD11 )
OR ( resid 4 and name HD1 )
( resid 3 and name HD13 )
OR ( resid 4 and name HD2 )
( resid 3 and name HD12 )
OR ( resid 4 and name HD2 )
( resid 3 and name HD11 )
OR ( resid 4 and name HD2 )
( resid 3 and name HD13 )
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( resid 32 and name HB2 )
6.0 0.1 0.1 peak 322 weight 0.11000E+01 volume 3.08030 ppm1 3.3580477 ppm2 2.2630081
ASSI ( resid 24 and name HA )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 323 weight 0.11000E+01 volume 1.95580 ppm1 4.6739230 ppm2 2.2549353
ASSI ( resid 31 and name HD1 )
( resid 30 and name HE1 )
6.0 0.1 0.1 peak 324 weight 0.11000E+01 volume 9.45350 ppm1 6.9952898 ppm2 2.0719218
OR ( resid 31 and name HE1 )
( resid 30 and name HE1 )
ASSI ( resid 5 and name HA )
( resid 4 and name HB1 )
6.0 0.1 0.1 peak 325 weight 0.11000E+01 volume 1.62170 ppm1 4.6407242 ppm2 1.8673421
OR ( resid 5 and name HA )
( resid 7 and name HB2 )
OR ( resid 10 and name HA1 )
( resid 4 and name HB1 )
OR ( resid 10 and name HA1 )
( resid 7 and name HB2 )
ASSI ( resid 17 and name HA )
( resid 18 and name HB2 )
6.0 0.1 0.1 peak 326 weight 0.11000E+01 volume 2.56940 ppm1 4.6308908 ppm2 2.0033295
OR ( resid 17 and name HA )
( resid 18 and name HB1 )
ASSI ( resid 29 and name HE2 )
( resid 30 and name HE1 )
6.0 0.1 0.1 peak 327 weight 0.11000E+01 volume 2.06640 ppm1 2.9671359 ppm2 2.0710442
OR ( resid 29 and name HE1 )
( resid 30 and name HE1 )
OR ( resid 14 and name HB1 )
( resid 30 and name HE1 )
OR ( resid 14 and name HB2 )
( resid 30 and name HE1 )
ASSI ( resid 6 and name HA )
( resid 3 and name HD11 )
6.0 0.1 0.1 peak 328 weight 0.11000E+01 volume 1.74370 ppm1 5.0440073 ppm2 0.9294218
ASSI ( resid 24 and name HA )
( resid 3 and name HD23 )
6.0 0.1 0.1 peak 329 weight 0.11000E+01 volume 1.66110 ppm1 4.6787319 ppm2 0.6932134
ASSI ( resid 22 and name HA )
( resid 16 and name HB2 )
6.0 0.1 0.1 peak 330 weight 0.11000E+01 volume 4.14260 ppm1 4.8847284 ppm2 -0.4970582
ASSI ( resid 33 and name HA )
( resid 34 and name HD13 )
6.0 0.1 0.1 peak 331 weight 0.11000E+01 volume 0.94990 ppm1 4.8885536 ppm2 -0.0385997
OR ( resid 33 and name HA )
( resid 34 and name HD11 )
OR ( resid 33 and name HA )
( resid 34 and name HD12 )
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