NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
640528 |
6h7i   |
34305 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: dist.tbl
assign ( resid 10 and name H
)
( resid 9 and name HA
) 2.5 0.8 0.5 volume=11336356.000 peak=1 ppm1=9.687 ppm2=5.043
assign ( resid 3 and name H
)
( resid 2 and name HA
) 2.5 0.8 0.5 volume=10747699.000 peak=2 ppm1=9.402 ppm2=5.117
assign ( resid 2 and name HE1
)
( resid 2 and name HD1
) 2.3 0.6 0.5 volume=16422139.000 peak=3 ppm1=10.161 ppm2=7.311
assign ( resid 11 and name HE1
)
( resid 11 and name HD1
) 2.4 0.7 0.5 volume=14808640.000 peak=4 ppm1=9.927 ppm2=6.720
assign ( resid 4 and name HE1
)
( resid 4 and name HD1
) 2.4 0.7 0.5 volume=13545157.000 peak=5 ppm1=9.792 ppm2=6.769
assign ( resid 9 and name HE1
)
( resid 9 and name HD1
) 2.3 0.6 0.5 volume=17186073.000 peak=6 ppm1=9.733 ppm2=7.148
assign ( resid 8 and name H
)
( resid 7 and name HA2
) 3.5 1.7 0.7 volume=1490468.000 peak=7 ppm1=6.812 ppm2=3.172
assign ( resid 8 and name H
)
( resid 7 and name HA3
) 3.4 1.7 0.7 volume=1609231.000 peak=8 ppm1=6.814 ppm2=3.756
assign ( resid 6 and name H
)
( resid 5 and name HA
) 2.9 1.2 0.6 volume=4541268.000 peak=9 ppm1=9.033 ppm2=4.275
assign ( resid 1 and name HA
)
( resid 2 and name H
) 2.8 1.1 0.6 volume=5534387.000 peak=10 ppm1=3.468 ppm2=8.772
assign ( resid 1 and name HA
)
( resid 1 and name HB3
or resid 1 and name HB2
) 2.6 0.9 0.5 volume=8060830.000 peak=11 ppm1=3.465 ppm2=3.739
assign ( resid 4 and name H
)
( resid 4 and name HA
) 3.8 1.9 0.8 volume=885130.000 peak=12 ppm1=8.684 ppm2=4.575
assign ( resid 6 and name HD21
)
( resid 6 and name HD22
) 2.0 0.3 0.4 volume=41681710.000 peak=13 ppm1=6.572 ppm2=7.246
assign ( resid 6 and name HD21
)
( resid 6 and name HA
) 3.1 1.4 0.6 volume=2864075.000 peak=14 ppm1=6.571 ppm2=4.091
assign ( resid 6 and name HD22
)
( resid 6 and name HA
) 2.7 1.0 0.5 volume=6177221.000 peak=15 ppm1=7.247 ppm2=4.096
assign ( resid 1 and name HN1
)
( resid 1 and name HN2
) 1.9 0.2 0.4 volume=54759918.000 peak=16 ppm1=6.811 ppm2=7.509
assign ( resid 1 and name HN2
)
( resid 1 and name HN1
) 1.9 0.2 0.4 volume=53771155.000 peak=17 ppm1=7.511 ppm2=6.811
assign ( resid 2 and name HE1
)
( resid 11 and name HZ3
) 3.2 1.4 0.6 volume=2662530.000 peak=18 ppm1=10.162 ppm2=6.505
assign ( resid 2 and name HE1
)
( resid 11 and name HE3
) 3.5 1.8 0.7 volume=1381331.000 peak=19 ppm1=10.163 ppm2=5.245
assign ( resid 11 and name HE1
)
( resid 11 and name HZ2
) 2.8 1.1 0.6 volume=5663382.000 peak=20 ppm1=9.928 ppm2=7.313
assign ( resid 4 and name HE1
)
( resid 4 and name HZ2
) 2.8 1.0 0.6 volume=5874674.000 peak=21 ppm1=9.792 ppm2=7.132
assign ( resid 4 and name HE1
)
( resid 7 and name H
) 3.6 1.8 0.7 volume=1248030.000 peak=22 ppm1=9.796 ppm2=7.495
assign ( resid 9 and name HE1
)
( resid 4 and name HZ3
) 3.3 1.6 0.7 volume=2019155.000 peak=23 ppm1=9.733 ppm2=6.497
assign ( resid 9 and name HE1
)
( resid 4 and name HE3
) 3.5 1.7 0.7 volume=1459672.000 peak=24 ppm1=9.735 ppm2=5.703
assign ( resid 10 and name H
)
( resid 10 and name HB
) 3.2 1.5 0.6 volume=2375281.000 peak=25 ppm1=9.697 ppm2=3.939
assign ( resid 10 and name H
)
( resid 2 and name HZ3
) 3.4 1.7 0.7 volume=1789536.000 peak=26 ppm1=9.683 ppm2=7.133
assign ( resid 10 and name H
)
( resid 2 and name HE3
) 3.5 1.7 0.7 volume=1547835.000 peak=27 ppm1=9.686 ppm2=7.299
assign ( resid 10 and name H
)
( resid 3 and name H
) 3.1 1.4 0.6 volume=2826008.000 peak=28 ppm1=9.687 ppm2=9.406
assign ( resid 3 and name H
)
( resid 2 and name HB3
or resid 2 and name HB2
) 3.5 1.8 0.7 volume=1376307.000 peak=29 ppm1=9.399 ppm2=2.961
assign ( resid 3 and name H
)
( resid 3 and name HB
) 3.5 1.7 0.7 volume=1559247.000 peak=30 ppm1=9.411 ppm2=3.936
assign ( resid 3 and name H
)
( resid 2 and name HZ3
) 3.7 1.8 0.7 volume=1083901.000 peak=31 ppm1=9.402 ppm2=7.123
assign ( resid 3 and name H
)
( resid 2 and name HE3
) 3.4 1.7 0.7 volume=1716973.000 peak=32 ppm1=9.400 ppm2=7.312
assign ( resid 6 and name H
)
( resid 7 and name H
) 3.7 1.8 0.7 volume=1097476.000 peak=33 ppm1=9.035 ppm2=7.489
assign ( resid 3 and name H
)
( resid 10 and name H
) 3.3 1.6 0.7 volume=2112743.000 peak=34 ppm1=9.401 ppm2=9.696
assign ( resid 12 and name H
)
( resid 12 and name HB2
) 3.5 1.8 0.7 volume=1377703.000 peak=35 ppm1=7.526 ppm2=1.295
assign ( resid 12 and name H
)
( resid 11 and name HA
) 2.5 0.7 0.5 volume=11936679.000 peak=36 ppm1=7.525 ppm2=4.158
assign ( resid 7 and name H
)
( resid 7 and name HA2
) 2.7 1.0 0.5 volume=6874100.000 peak=37 ppm1=7.493 ppm2=3.164
assign ( resid 7 and name H
)
( resid 7 and name HA3
) 2.9 1.2 0.6 volume=4191742.000 peak=38 ppm1=7.495 ppm2=3.743
assign ( resid 7 and name H
)
( resid 6 and name HA
) 2.8 1.1 0.6 volume=5299126.000 peak=39 ppm1=7.492 ppm2=4.103
assign ( resid 7 and name H
)
( resid 4 and name HZ2
) 3.3 1.6 0.7 volume=2066658.000 peak=40 ppm1=7.492 ppm2=7.126
assign ( resid 12 and name H
)
( resid 2 and name HA
) 3.5 1.8 0.7 volume=1357274.000 peak=41 ppm1=7.506 ppm2=5.108
assign ( resid 12 and name H
)
( resid 11 and name HZ3
) 3.5 1.8 0.7 volume=1372599.000 peak=42 ppm1=7.514 ppm2=6.522
assign ( resid 4 and name HE3
)
( resid 4 and name HZ3
) 2.5 0.8 0.5 volume=9804912.000 peak=43 ppm1=5.714 ppm2=6.498
assign ( resid 4 and name HE3
)
( resid 4 and name HZ2
or resid 9 and name HD1
) 3.3 1.6 0.7 volume=2139860.000 peak=44 ppm1=5.712 ppm2=7.129
assign ( resid 4 and name HE3
)
( resid 4 and name HA
) 3.1 1.4 0.6 volume=2957136.000 peak=45 ppm1=5.705 ppm2=4.591
assign ( resid 4 and name HE3
)
( resid 4 and name HB3
) 3.4 1.6 0.7 volume=1834209.000 peak=46 ppm1=5.714 ppm2=2.858
assign ( resid 4 and name HE3
)
( resid 4 and name HB2
) 3.2 1.4 0.6 volume=2663062.000 peak=47 ppm1=5.706 ppm2=2.005
assign ( resid 4 and name HZ3
)
( resid 4 and name HE3
) 2.6 0.9 0.5 volume=9063212.000 peak=48 ppm1=6.498 ppm2=5.708
assign ( resid 4 and name HZ3
)
( resid 4 and name HH2
) 2.4 0.7 0.5 volume=12223550.000 peak=49 ppm1=6.489 ppm2=6.887
assign ( resid 4 and name HH2
)
( resid 4 and name HZ3
) 2.5 0.7 0.5 volume=12048255.000 peak=50 ppm1=6.888 ppm2=6.494
assign ( resid 4 and name HH2
)
( resid 4 and name HZ2
) 2.3 0.5 0.5 volume=20272759.000 peak=51 ppm1=6.882 ppm2=7.132
assign ( resid 4 and name HZ2
)
( resid 4 and name HH2
) 2.1 0.4 0.4 volume=32242404.000 peak=52 ppm1=7.138 ppm2=6.900
assign ( resid 2 and name HD1
)
( resid 2 and name HE1
) 2.3 0.6 0.5 volume=16776734.000 peak=53 ppm1=7.308 ppm2=10.161
assign ( resid 11 and name HZ3
)
( resid 2 and name HE1
) 3.3 1.6 0.7 volume=1890883.000 peak=54 ppm1=6.508 ppm2=10.161
assign ( resid 11 and name HZ2
)
( resid 11 and name HE1
) 2.9 1.2 0.6 volume=4012085.000 peak=55 ppm1=7.309 ppm2=9.931
assign ( resid 2 and name HE3
)
( resid 10 and name H
) 3.3 1.6 0.7 volume=1997082.000 peak=56 ppm1=7.314 ppm2=9.709
assign ( resid 2 and name HD1
)
( resid 2 and name H
) 3.1 1.4 0.6 volume=2746916.000 peak=57 ppm1=7.307 ppm2=8.777
assign ( resid 7 and name H
)
( resid 6 and name H
) 3.3 1.6 0.7 volume=1958769.000 peak=58 ppm1=7.492 ppm2=9.026
assign ( resid 11 and name HE3
)
( resid 11 and name HZ3
) 2.6 0.8 0.5 volume=9330522.000 peak=59 ppm1=5.246 ppm2=6.509
assign ( resid 11 and name HE3
)
( resid 2 and name HD1
or resid 2 and name HE3
) 3.3 1.6 0.7 volume=1937064.000 peak=60 ppm1=5.250 ppm2=7.312
assign ( resid 11 and name HE3
)
( resid 11 and name HA
) 3.1 1.4 0.6 volume=3022348.000 peak=61 ppm1=5.254 ppm2=4.167
assign ( resid 11 and name HE3
)
( resid 11 and name HB3
) 3.3 1.6 0.7 volume=1894997.000 peak=62 ppm1=5.245 ppm2=1.942
assign ( resid 2 and name HA
)
( resid 2 and name HD1
) 3.3 1.5 0.7 volume=2239977.000 peak=63 ppm1=5.118 ppm2=7.308
assign ( resid 2 and name HA
)
( resid 2 and name HB3
or resid 2 and name HB2
) 3.2 1.5 0.6 volume=2396298.000 peak=64 ppm1=5.120 ppm2=2.936
assign ( resid 9 and name HA
)
( resid 2 and name HZ3
) 3.4 1.6 0.7 volume=1860460.000 peak=65 ppm1=5.043 ppm2=7.127
assign ( resid 2 and name HA
)
( resid 3 and name H
) 2.9 1.1 0.6 volume=4819262.000 peak=66 ppm1=5.120 ppm2=9.405
assign ( resid 9 and name HA
)
( resid 10 and name H
) 3.0 1.3 0.6 volume=3459391.000 peak=67 ppm1=5.049 ppm2=9.696
assign ( resid 4 and name HZ3
)
( resid 9 and name HE1
) 3.5 1.7 0.7 volume=1507173.000 peak=68 ppm1=6.498 ppm2=9.742
assign ( resid 11 and name HZ3
)
( resid 11 and name HE3
) 2.5 0.7 0.5 volume=12143668.000 peak=69 ppm1=6.509 ppm2=5.251
assign ( resid 4 and name HZ3
)
( resid 8 and name HA
) 3.2 1.5 0.6 volume=2317481.000 peak=70 ppm1=6.503 ppm2=4.195
assign ( resid 4 and name HZ3
)
( resid 9 and name H
) 3.6 1.8 0.7 volume=1254195.000 peak=71 ppm1=6.499 ppm2=8.504
assign ( resid 11 and name HZ3
)
( resid 1 and name HA
) 3.2 1.5 0.6 volume=2269399.000 peak=72 ppm1=6.509 ppm2=3.464
assign ( resid 2 and name HD1
)
( resid 1 and name HA
) 3.4 1.7 0.7 volume=1650700.000 peak=73 ppm1=7.307 ppm2=3.461
assign ( resid 9 and name HD1
)
( resid 4 and name HE3
) 3.2 1.5 0.6 volume=2444797.000 peak=74 ppm1=7.148 ppm2=5.715
assign ( resid 9 and name HB3
)
( resid 9 and name H
) 3.2 1.5 0.6 volume=2452031.000 peak=75 ppm1=3.179 ppm2=8.512
assign ( resid 9 and name HB2
)
( resid 9 and name H
) 3.0 1.3 0.6 volume=3733234.000 peak=76 ppm1=2.822 ppm2=8.510
assign ( resid 4 and name HB3
)
( resid 4 and name H
) 3.0 1.3 0.6 volume=3631547.000 peak=77 ppm1=2.865 ppm2=8.682
assign ( resid 4 and name HB2
)
( resid 4 and name H
) 3.1 1.4 0.6 volume=2726741.000 peak=78 ppm1=2.026 ppm2=8.678
assign ( resid 2 and name HB3
or resid 2 and name HB2
)
( resid 2 and name H
) 3.1 1.4 0.6 volume=3073312.000 peak=79 ppm1=2.948 ppm2=8.768
assign ( resid 11 and name HB2
)
( resid 11 and name H
) 3.0 1.2 0.6 volume=3921420.000 peak=80 ppm1=2.669 ppm2=8.848
assign ( resid 11 and name HB3
)
( resid 11 and name H
) 3.2 1.5 0.6 volume=2479253.000 peak=81 ppm1=1.949 ppm2=8.854
assign ( resid 11 and name HB2
)
( resid 11 and name HD1
) 3.1 1.4 0.6 volume=2889006.000 peak=82 ppm1=2.669 ppm2=6.722
assign ( resid 11 and name HB3
)
( resid 11 and name HD1
) 3.6 1.8 0.7 volume=1150735.000 peak=83 ppm1=1.947 ppm2=6.716
assign ( resid 11 and name HB3
)
( resid 11 and name HE3
) 3.3 1.6 0.7 volume=2066531.000 peak=84 ppm1=1.950 ppm2=5.245
assign ( resid 11 and name HB2
)
( resid 11 and name HA
) 3.6 1.8 0.7 volume=1230013.000 peak=85 ppm1=2.670 ppm2=4.163
assign ( resid 11 and name HB3
)
( resid 11 and name HA
) 3.0 1.3 0.6 volume=3560903.000 peak=86 ppm1=1.949 ppm2=4.164
assign ( resid 11 and name HB3
)
( resid 11 and name HB2
) 2.3 0.6 0.5 volume=16135805.000 peak=87 ppm1=1.950 ppm2=2.668
assign ( resid 11 and name HB2
)
( resid 11 and name HB3
) 2.3 0.6 0.5 volume=15870389.000 peak=88 ppm1=2.669 ppm2=1.935
assign ( resid 11 and name HA
)
( resid 11 and name HB3
) 3.2 1.5 0.6 volume=2575388.000 peak=89 ppm1=4.181 ppm2=1.931
assign ( resid 11 and name HA
)
( resid 11 and name HB2
) 3.4 1.6 0.7 volume=1850134.000 peak=90 ppm1=4.183 ppm2=2.673
assign ( resid 11 and name HD1
)
( resid 11 and name HB3
) 3.2 1.4 0.6 volume=2645976.000 peak=91 ppm1=6.722 ppm2=1.941
assign ( resid 11 and name HD1
)
( resid 11 and name HB2
) 2.6 0.9 0.5 volume=8393013.000 peak=92 ppm1=6.722 ppm2=2.667
assign ( resid 4 and name HD1
)
( resid 4 and name HB2
) 3.0 1.2 0.6 volume=3997980.000 peak=93 ppm1=6.769 ppm2=2.011
assign ( resid 4 and name HD1
)
( resid 4 and name HB3
) 2.7 1.0 0.5 volume=7074320.000 peak=94 ppm1=6.769 ppm2=2.863
assign ( resid 11 and name HD1
)
( resid 11 and name HE1
) 2.3 0.6 0.5 volume=18208522.000 peak=95 ppm1=6.721 ppm2=9.927
assign ( resid 4 and name HD1
)
( resid 4 and name HE1
) 2.3 0.6 0.5 volume=17860071.000 peak=96 ppm1=6.769 ppm2=9.791
assign ( resid 9 and name HD1
)
( resid 9 and name HE1
) 2.3 0.6 0.5 volume=19193768.000 peak=97 ppm1=7.147 ppm2=9.738
assign ( resid 9 and name HB3
)
( resid 9 and name HD1
) 2.8 1.1 0.6 volume=5000347.000 peak=98 ppm1=3.179 ppm2=7.134
assign ( resid 9 and name HB2
)
( resid 9 and name HD1
) 3.0 1.3 0.6 volume=3375701.000 peak=99 ppm1=2.822 ppm2=7.137
assign ( resid 9 and name HB3
)
( resid 9 and name HA
) 3.1 1.4 0.6 volume=2987710.000 peak=100 ppm1=3.179 ppm2=5.049
assign ( resid 9 and name HB2
)
( resid 9 and name HA
) 3.5 1.7 0.7 volume=1551762.000 peak=101 ppm1=2.821 ppm2=5.049
assign ( resid 9 and name HB2
)
( resid 9 and name HB3
) 2.3 0.6 0.5 volume=17259120.000 peak=102 ppm1=2.820 ppm2=3.160
assign ( resid 9 and name HB3
)
( resid 9 and name HB2
) 2.2 0.5 0.4 volume=23634867.000 peak=103 ppm1=3.178 ppm2=2.823
assign ( resid 9 and name HD1
)
( resid 9 and name HB2
) 2.7 0.9 0.5 volume=7462806.000 peak=104 ppm1=7.146 ppm2=2.827
assign ( resid 9 and name HD1
)
( resid 9 and name HB3
) 2.6 0.9 0.5 volume=8098015.000 peak=105 ppm1=7.143 ppm2=3.162
assign ( resid 2 and name HZ3
)
( resid 11 and name HA
) 3.5 1.8 0.7 volume=1356860.000 peak=106 ppm1=7.148 ppm2=4.172
assign ( resid 2 and name HE3
)
( resid 11 and name HA
) 3.2 1.5 0.6 volume=2599447.000 peak=107 ppm1=7.314 ppm2=4.165
assign ( resid 2 and name HE3
)
( resid 9 and name HB3
) 2.9 1.2 0.6 volume=4489975.000 peak=108 ppm1=7.312 ppm2=3.160
assign ( resid 2 and name HD1
or resid 2 and name HE3
)
( resid 2 and name HB3
or resid 2 and name HB2
) 2.4 0.7 0.5 volume=13754723.000 peak=109 ppm1=7.308 ppm2=2.935
assign ( resid 8 and name H
)
( resid 8 and name HA
) 3.1 1.4 0.6 volume=2918467.000 peak=110 ppm1=6.804 ppm2=4.191
assign ( resid 8 and name H
)
( resid 8 and name HG2
or resid 8 and name HG3
) 3.5 1.8 0.7 volume=1398327.000 peak=111 ppm1=6.803 ppm2=1.579
assign ( resid 4 and name HH2
)
( resid 8 and name HA
) 3.7 1.9 0.7 volume=1006375.000 peak=112 ppm1=6.887 ppm2=4.181
assign ( resid 4 and name HE3
)
( resid 8 and name HA
) 4.0 2.0 0.8 volume=694018.000 peak=113 ppm1=5.712 ppm2=4.194
assign ( resid 9 and name HZ3
)
( resid 2 and name HB3
or resid 2 and name HB2
) 3.3 1.5 0.7 volume=2215050.000 peak=114 ppm1=6.982 ppm2=2.935
assign ( resid 9 and name HZ3
)
( resid 4 and name H
) 3.4 1.7 0.7 volume=1643796.000 peak=115 ppm1=6.983 ppm2=8.692
assign ( resid 8 and name H
)
( resid 5 and name H
) 3.1 1.4 0.6 volume=2832519.000 peak=116 ppm1=6.802 ppm2=8.416
assign ( resid 9 and name HZ3
)
( resid 4 and name HB2
) 3.4 1.7 0.7 volume=1583240.000 peak=117 ppm1=6.987 ppm2=2.000
assign ( resid 9 and name HD1
)
( resid 9 and name H
) 3.1 1.4 0.6 volume=2732078.000 peak=118 ppm1=7.146 ppm2=8.509
assign ( resid 9 and name HZ3
)
( resid 9 and name HH2
) 2.1 0.3 0.4 volume=35379428.000 peak=119 ppm1=6.982 ppm2=7.127
assign ( resid 2 and name HZ3
)
( resid 11 and name H
) 3.3 1.6 0.7 volume=1989215.000 peak=120 ppm1=7.118 ppm2=8.856
assign ( resid 2 and name HZ3
)
( resid 11 and name HB3
) 3.2 1.5 0.6 volume=2269303.000 peak=121 ppm1=7.120 ppm2=1.961
assign ( resid 4 and name HH2
)
( resid 4 and name HE3
) 3.6 1.8 0.7 volume=1205439.000 peak=122 ppm1=6.904 ppm2=5.714
assign ( resid 6 and name HD22
)
( resid 6 and name HD21
) 2.0 0.3 0.4 volume=41977314.000 peak=123 ppm1=7.247 ppm2=6.571
assign ( resid 2 and name HD1
)
( resid 11 and name HZ3
) 2.8 1.1 0.6 volume=5800977.000 peak=124 ppm1=7.311 ppm2=6.508
assign ( resid 2 and name HZ3
or resid 9 and name HE3
)
( resid 9 and name HA
) 2.6 0.9 0.5 volume=7679126.000 peak=125 ppm1=7.124 ppm2=5.047
assign ( resid 9 and name HH2
)
( resid 9 and name HZ3
) 2.1 0.4 0.4 volume=32020153.000 peak=126 ppm1=7.128 ppm2=6.951
assign ( resid 2 and name HZ3
)
( resid 2 and name HE3
) 2.2 0.5 0.4 volume=23642673.000 peak=127 ppm1=7.119 ppm2=7.307
assign ( resid 9 and name HE3
or resid 9 and name HH2
)
( resid 2 and name HB3
or resid 2 and name HB2
) 2.7 1.0 0.5 volume=6951197.000 peak=128 ppm1=7.122 ppm2=2.939
assign ( resid 2 and name HZ3
)
( resid 10 and name HG2#
) 3.6 1.8 0.7 volume=1160471.000 peak=129 ppm1=7.137 ppm2=1.111
assign ( resid 2 and name HH2
or resid 2 and name HZ2
)
( resid 11 and name HB3
) 3.7 1.9 0.7 volume=996898.000 peak=130 ppm1=7.198 ppm2=1.938
assign ( resid 2 and name HE3
)
( resid 11 and name HB3
) 3.5 1.7 0.7 volume=1556014.000 peak=131 ppm1=7.321 ppm2=1.939
assign ( resid 4 and name HZ2
or resid 9 and name HD1
)
( resid 4 and name HZ3
) 2.6 0.9 0.5 volume=7893361.000 peak=132 ppm1=7.145 ppm2=6.506
assign ( resid 11 and name HH2
)
( resid 11 and name HZ3
) 2.5 0.8 0.5 volume=11406629.000 peak=133 ppm1=7.026 ppm2=6.509
assign ( resid 2 and name HD1
or resid 2 and name HE3
)
( resid 11 and name HE3
) 3.0 1.3 0.6 volume=3331141.000 peak=134 ppm1=7.311 ppm2=5.247
assign ( resid 2 and name HE3
)
( resid 3 and name H
) 3.7 1.8 0.7 volume=1062340.000 peak=135 ppm1=7.304 ppm2=9.402
assign ( resid 11 and name HH2
)
( resid 11 and name HZ2
) 2.3 0.6 0.5 volume=18205682.000 peak=136 ppm1=7.018 ppm2=7.315
assign ( resid 11 and name HD1
)
( resid 12 and name HA
) 3.5 1.7 0.7 volume=1555679.000 peak=137 ppm1=6.724 ppm2=4.130
assign ( resid 4 and name HZ2
)
( resid 7 and name HA3
) 3.5 1.8 0.7 volume=1329448.000 peak=138 ppm1=7.140 ppm2=3.741
assign ( resid 4 and name HE3
)
( resid 4 and name HH2
) 3.6 1.8 0.7 volume=1157742.000 peak=139 ppm1=5.709 ppm2=6.875
assign ( resid 5 and name HA
)
( resid 6 and name H
) 3.0 1.3 0.6 volume=3535232.000 peak=140 ppm1=4.276 ppm2=9.030
assign ( resid 10 and name HG2#
)
( resid 10 and name HB
) 3.2 1.5 0.6 volume=2347234.000 peak=141 ppm1=1.100 ppm2=3.951
assign ( resid 3 and name HG2#
)
( resid 3 and name HB
) 3.3 1.6 0.7 volume=2038848.000 peak=142 ppm1=1.037 ppm2=3.926
assign ( resid 10 and name HG2#
)
( resid 8 and name HG2
or resid 8 and name HG3
) 3.4 1.7 0.7 volume=1696881.000 peak=143 ppm1=1.101 ppm2=1.582
assign ( resid 3 and name HG2#
)
( resid 12 and name HD3
or resid 12 and name HD2
or resid 12 and name HB3
) 3.3 1.6 0.7 volume=1962577.000 peak=144 ppm1=1.037 ppm2=1.419
assign ( resid 10 and name HG2#
)
( resid 12 and name HD3
or resid 12 and name HD2
or resid 12 and name HB3
) 3.3 1.5 0.7 volume=2166284.000 peak=145 ppm1=1.119 ppm2=1.421
assign ( resid 8 and name HA
)
( resid 9 and name H
) 2.7 1.0 0.5 volume=6734558.000 peak=146 ppm1=4.190 ppm2=8.509
assign ( resid 6 and name HA
)
( resid 6 and name H
) 2.8 1.0 0.6 volume=6003176.000 peak=147 ppm1=4.103 ppm2=9.028
assign ( resid 6 and name HA
)
( resid 7 and name H
) 2.9 1.2 0.6 volume=4343020.000 peak=148 ppm1=4.103 ppm2=7.505
assign ( resid 6 and name HA
)
( resid 6 and name HD22
) 3.1 1.4 0.6 volume=2762405.000 peak=149 ppm1=4.101 ppm2=7.250
assign ( resid 6 and name HA
)
( resid 6 and name HD21
) 3.5 1.8 0.7 volume=1395908.000 peak=150 ppm1=4.090 ppm2=6.572
assign ( resid 1 and name HA
)
( resid 2 and name HD1
) 3.7 1.9 0.7 volume=1000186.000 peak=151 ppm1=3.470 ppm2=7.309
assign ( resid 1 and name HA
)
( resid 11 and name HH2
) 3.4 1.7 0.7 volume=1576250.000 peak=152 ppm1=3.469 ppm2=7.026
assign ( resid 1 and name HA
)
( resid 11 and name HZ3
) 3.2 1.4 0.6 volume=2665255.000 peak=153 ppm1=3.470 ppm2=6.508
assign ( resid 7 and name HA3
)
( resid 7 and name H
) 3.3 1.6 0.7 volume=1962303.000 peak=154 ppm1=3.727 ppm2=7.493
assign ( resid 7 and name HA3
)
( resid 7 and name HA2
) 2.4 0.6 0.5 volume=15117000.000 peak=155 ppm1=3.727 ppm2=3.165
assign ( resid 7 and name HA2
)
( resid 7 and name HA3
) 2.4 0.7 0.5 volume=13142327.000 peak=156 ppm1=3.185 ppm2=3.745
assign ( resid 10 and name HB
)
( resid 10 and name H
) 3.2 1.5 0.6 volume=2584119.000 peak=157 ppm1=3.949 ppm2=9.688
assign ( resid 3 and name HB
)
( resid 3 and name H
) 3.4 1.7 0.7 volume=1583167.000 peak=158 ppm1=3.919 ppm2=9.419
assign ( resid 3 and name HB
)
( resid 4 and name H
) 3.5 1.7 0.7 volume=1452957.000 peak=159 ppm1=3.927 ppm2=8.675
assign ( resid 10 and name HB
)
( resid 10 and name HG2#
) 3.1 1.4 0.6 volume=3111633.000 peak=160 ppm1=3.950 ppm2=1.091
assign ( resid 3 and name HB
)
( resid 3 and name HG2#
) 3.1 1.4 0.6 volume=3130383.000 peak=161 ppm1=3.938 ppm2=1.059
assign ( resid 6 and name HA
)
( resid 6 and name HB3
) 3.0 1.3 0.6 volume=3748782.000 peak=162 ppm1=4.102 ppm2=2.840
assign ( resid 12 and name HA
)
( resid 12 and name HB3
) 3.5 1.7 0.7 volume=1525295.000 peak=163 ppm1=4.099 ppm2=1.422
assign ( resid 6 and name HA
)
( resid 6 and name HB2
) 3.3 1.6 0.7 volume=1926643.000 peak=164 ppm1=4.123 ppm2=2.549
assign ( resid 11 and name HA
)
( resid 11 and name HE3
) 3.5 1.8 0.7 volume=1342248.000 peak=165 ppm1=4.181 ppm2=5.253
assign ( resid 11 and name HA
)
( resid 2 and name HA
) 3.3 1.6 0.7 volume=1959586.000 peak=166 ppm1=4.178 ppm2=5.118
assign ( resid 11 and name HA
)
( resid 12 and name H
) 2.8 1.1 0.6 volume=5016887.000 peak=167 ppm1=4.166 ppm2=7.519
assign ( resid 8 and name HA
)
( resid 8 and name H
) 3.4 1.7 0.7 volume=1670332.000 peak=168 ppm1=4.179 ppm2=6.805
assign ( resid 7 and name HA2
)
( resid 7 and name H
) 2.9 1.2 0.6 volume=4592984.000 peak=169 ppm1=3.184 ppm2=7.489
assign ( resid 9 and name HB3
)
( resid 2 and name HE3
) 3.2 1.5 0.6 volume=2589233.000 peak=170 ppm1=3.180 ppm2=7.312
assign ( resid 2 and name HB3
or resid 2 and name HB2
)
( resid 2 and name HD1
or resid 2 and name HE3
) 2.7 0.9 0.5 volume=7522726.000 peak=171 ppm1=2.946 ppm2=7.307
assign ( resid 2 and name HB3
or resid 2 and name HB2
)
( resid 2 and name HZ3
or resid 9 and name HH2
) 2.8 1.1 0.6 volume=5643607.000 peak=172 ppm1=2.946 ppm2=7.127
assign ( resid 2 and name HB3
or resid 2 and name HB2
)
( resid 9 and name HZ3
) 3.5 1.8 0.7 volume=1417383.000 peak=173 ppm1=2.944 ppm2=7.003
assign ( resid 2 and name HB3
or resid 2 and name HB2
)
( resid 2 and name HA
) 2.9 1.1 0.6 volume=4786367.000 peak=174 ppm1=2.946 ppm2=5.115
assign ( resid 2 and name HB3
or resid 2 and name HB2
)
( resid 3 and name H
) 3.5 1.7 0.7 volume=1497956.000 peak=175 ppm1=2.947 ppm2=9.399
assign ( resid 4 and name HB3
)
( resid 4 and name HD1
) 3.2 1.5 0.6 volume=2472125.000 peak=176 ppm1=2.865 ppm2=6.775
assign ( resid 4 and name HB2
)
( resid 4 and name HD1
) 3.4 1.7 0.7 volume=1595676.000 peak=177 ppm1=2.029 ppm2=6.774
assign ( resid 4 and name HB2
)
( resid 4 and name HE3
) 3.4 1.7 0.7 volume=1633828.000 peak=178 ppm1=2.027 ppm2=5.707
assign ( resid 4 and name HB3
)
( resid 4 and name HE3
) 3.7 1.8 0.7 volume=1086540.000 peak=179 ppm1=2.864 ppm2=5.706
assign ( resid 1 and name HB3
or resid 1 and name HB2
)
( resid 1 and name HA
) 2.9 1.1 0.6 volume=4908512.000 peak=180 ppm1=3.747 ppm2=3.463
assign ( resid 1 and name HA
)
( resid 2 and name HB3
or resid 2 and name HB2
) 3.6 1.8 0.7 volume=1253116.000 peak=181 ppm1=3.468 ppm2=2.940
assign ( resid 6 and name HB2
)
( resid 6 and name HB3
) 2.4 0.6 0.5 volume=15036704.000 peak=182 ppm1=2.542 ppm2=2.839
assign ( resid 6 and name HB2
)
( resid 6 and name HA
) 3.7 1.8 0.7 volume=1092466.000 peak=183 ppm1=2.516 ppm2=4.096
assign ( resid 6 and name HB3
)
( resid 6 and name HA
) 3.2 1.4 0.6 volume=2694066.000 peak=184 ppm1=2.822 ppm2=4.108
assign ( resid 6 and name HB3
)
( resid 6 and name HB2
) 2.3 0.6 0.5 volume=17550657.000 peak=185 ppm1=2.849 ppm2=2.549
assign ( resid 4 and name HB2
)
( resid 4 and name HB3
) 2.3 0.6 0.5 volume=17979295.000 peak=186 ppm1=2.025 ppm2=2.864
assign ( resid 4 and name HB3
)
( resid 4 and name HB2
) 2.3 0.6 0.5 volume=18551012.000 peak=187 ppm1=2.864 ppm2=2.012
assign ( resid 8 and name HA
)
( resid 8 and name HG2
or resid 8 and name HG3
or resid 8 and name HD2
or resid 8 and name HD3
or resid 8 and name HB3
or resid 8 and name HB2
) 3.6 1.8 0.7 volume=1158900.000 peak=188 ppm1=4.182 ppm2=1.612
assign ( resid 8 and name HZ#
)
( resid 9 and name HD1
) 3.5 1.8 0.7 volume=1425240.000 peak=189 ppm1=7.446 ppm2=7.142
assign ( resid 11 and name HZ3
)
( resid 2 and name HD1
or resid 11 and name HZ2
) 3.0 1.3 0.6 volume=3747949.000 peak=190 ppm1=6.509 ppm2=7.308
assign ( resid 11 and name HZ3
)
( resid 11 and name HH2
) 2.5 0.8 0.5 volume=10247969.000 peak=191 ppm1=6.507 ppm2=7.026
assign ( resid 5 and name HB2
)
( resid 5 and name HG3
) 2.9 1.2 0.6 volume=4319729.000 peak=192 ppm1=1.666 ppm2=2.004
assign ( resid 5 and name HG3
)
( resid 5 and name HB2
) 2.9 1.2 0.6 volume=4274993.000 peak=193 ppm1=2.018 ppm2=1.688
assign ( resid 5 and name HB3
)
( resid 5 and name HG3
) 2.8 1.0 0.6 volume=5850085.000 peak=194 ppm1=1.822 ppm2=2.033
assign ( resid 8 and name HG2
or resid 8 and name HG3
)
( resid 8 and name HE2
or resid 8 and name HE3
) 3.6 1.8 0.7 volume=1289146.000 peak=195 ppm1=1.543 ppm2=2.925
assign ( resid 12 and name HB2
)
( resid 12 and name HA
) 3.5 1.8 0.7 volume=1404358.000 peak=196 ppm1=1.292 ppm2=4.118
assign ( resid 8 and name HB3
or resid 8 and name HB2
)
( resid 8 and name HA
) 3.4 1.7 0.7 volume=1578056.000 peak=197 ppm1=1.645 ppm2=4.194
assign ( resid 5 and name HG2
)
( resid 5 and name HB3
) 3.0 1.3 0.6 volume=3494084.000 peak=198 ppm1=2.091 ppm2=1.839
assign ( resid 3 and name HB
)
( resid 3 and name HA
) 3.2 1.5 0.6 volume=2313211.000 peak=199 ppm1=3.933 ppm2=4.827
assign ( resid 2 and name HD1
or resid 2 and name HE3
)
( resid 2 and name HA
) 2.7 1.0 0.5 volume=6849961.000 peak=200 ppm1=7.310 ppm2=5.114
assign ( resid 9 and name HA
)
( resid 9 and name HZ3
) 3.6 1.8 0.7 volume=1124331.000 peak=201 ppm1=5.046 ppm2=6.957
assign ( resid 4 and name HZ3
)
( resid 9 and name HA
) 3.5 1.8 0.7 volume=1381994.000 peak=202 ppm1=6.501 ppm2=5.070
assign ( resid 2 and name HA
)
( resid 11 and name HA
) 3.6 1.8 0.7 volume=1200439.000 peak=203 ppm1=5.122 ppm2=4.159
Contact the webmaster for help, if required. Friday, May 3, 2024 6:26:08 AM GMT (wattos1)