Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
653634 | 6vla RC | 30717 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: Bt01restraints
assign ( resid 6 and name H
)
( resid 6 and name HA
) 2.8 1.0 1.0 volume=204766.000 peak=1 ppm1=8.362 ppm2=4.224
assign ( resid 6 and name H
)
( resid 6 and name HB2
) 2.8 1.0 1.0 volume=215390.000 peak=2 ppm1=8.365 ppm2=2.772
assign ( resid 6 and name HB2
)
( resid 6 and name HA
) 2.6 0.8 0.8 volume=371331.000 peak=3 ppm1=2.770 ppm2=4.226
assign ( resid 6 and name HB3
)
( resid 6 and name HA
) 2.5 0.8 0.8 volume=448939.000 peak=4 ppm1=2.697 ppm2=4.226
assign ( resid 6 and name HA
)
( resid 6 and name HB2
) 3.2 1.3 1.3 volume=105311.500 peak=5 ppm1=4.223 ppm2=2.772
assign ( resid 6 and name HA
)
( resid 6 and name HB3
) 3.2 1.3 1.3 volume=106046.500 peak=6 ppm1=4.223 ppm2=2.688
assign ( resid 3 and name H
)
( resid 3 and name HA3
or resid 3 and name HA2
) 3.0 1.1 1.1 volume=135165.500 peak=7 ppm1=8.313 ppm2=4.099
assign ( resid 5 and name H
)
( resid 5 and name HA
) 3.1 1.2 1.2 volume=111371.500 peak=8 ppm1=8.270 ppm2=4.104
assign ( resid 5 and name H
)
( resid 5 and name HB2
) 2.6 0.9 0.9 volume=293860.000 peak=9 ppm1=8.271 ppm2=3.082
assign ( resid 5 and name HB3
or resid 5 and name HB2
)
( resid 5 and name HA
) 2.6 0.8 0.8 volume=319901.000 peak=10 ppm1=3.082 ppm2=4.104
assign ( resid 5 and name HA
)
( resid 5 and name HB3
or resid 5 and name HB2
) 2.9 1.1 1.1 volume=150266.000 peak=11 ppm1=4.103 ppm2=3.081
assign ( resid 9 and name H
)
( resid 9 and name HA
) 2.8 1.0 1.0 volume=253761.000 peak=12 ppm1=8.202 ppm2=3.442
assign ( resid 9 and name H
)
( resid 9 and name HB
) 2.5 0.8 0.8 volume=459150.500 peak=13 ppm1=8.202 ppm2=1.761
assign ( resid 9 and name HB
)
( resid 9 and name HA
) 2.6 0.8 0.8 volume=315249.500 peak=14 ppm1=1.761 ppm2=3.442
assign ( resid 9 and name HA
)
( resid 9 and name HB
) 2.5 0.8 0.8 volume=460938.000 peak=15 ppm1=3.442 ppm2=1.762
assign ( resid 9 and name HG2#
)
( resid 9 and name HA
) 2.2 0.6 0.6 volume=1179542.000 peak=16 ppm1=0.728 ppm2=3.444
assign ( resid 9 and name HD1#
)
( resid 9 and name HA
) 2.5 0.8 0.8 volume=467584.500 peak=17 ppm1=0.562 ppm2=3.439
assign ( resid 9 and name HG2#
)
( resid 9 and name HB
) 1.9 0.5 0.5 volume=2264434.000 peak=18 ppm1=0.723 ppm2=1.747
assign ( resid 9 and name HD1#
)
( resid 9 and name HB
) 2.4 0.7 0.7 volume=558383.000 peak=19 ppm1=0.564 ppm2=1.761
assign ( resid 9 and name HD1#
)
( resid 9 and name HG2#
) 2.0 0.5 0.5 volume=1707796.000 peak=20 ppm1=0.564 ppm2=0.722
assign ( resid 9 and name HG2#
)
( resid 9 and name HD1#
) 2.0 0.5 0.5 volume=1806722.000 peak=21 ppm1=0.726 ppm2=0.565
assign ( resid 9 and name HB
)
( resid 9 and name HG2#
) 2.0 0.5 0.5 volume=1333362.000 peak=22 ppm1=1.751 ppm2=0.725
assign ( resid 9 and name HB
)
( resid 9 and name HD1#
) 2.6 0.8 0.8 volume=322334.000 peak=23 ppm1=1.765 ppm2=0.561
assign ( resid 9 and name HA
)
( resid 9 and name HG2#
) 2.2 0.6 0.6 volume=1044498.500 peak=24 ppm1=3.441 ppm2=0.726
assign ( resid 12 and name H
)
( resid 12 and name HA
) 2.6 0.9 0.9 volume=332010.000 peak=25 ppm1=8.118 ppm2=3.505
assign ( resid 12 and name H
)
( resid 12 and name HB
) 2.6 0.9 0.9 volume=348179.000 peak=26 ppm1=8.121 ppm2=2.142
assign ( resid 12 and name HB
)
( resid 12 and name HA
) 2.7 0.9 0.9 volume=269391.500 peak=27 ppm1=2.143 ppm2=3.497
assign ( resid 12 and name HG2#
)
( resid 12 and name HB
) 2.2 0.6 0.6 volume=1148743.000 peak=28 ppm1=0.855 ppm2=2.147
assign ( resid 12 and name HA
)
( resid 12 and name HB
) 2.5 0.8 0.8 volume=406659.000 peak=29 ppm1=3.497 ppm2=2.145
assign ( resid 12 and name HB
)
( resid 12 and name HG2#
) 2.3 0.7 0.7 volume=628465.500 peak=30 ppm1=2.139 ppm2=0.858
assign ( resid 12 and name HG1#
)
( resid 12 and name HB
) 2.1 0.6 0.6 volume=1245109.500 peak=31 ppm1=0.936 ppm2=2.147
assign ( resid 12 and name HB
)
( resid 12 and name HG1#
) 2.3 0.6 0.6 volume=735575.500 peak=32 ppm1=2.142 ppm2=0.936
assign ( resid 8 and name H
)
( resid 8 and name HA
) 2.7 0.9 0.9 volume=226542.000 peak=33 ppm1=8.079 ppm2=3.520
assign ( resid 8 and name H
)
( resid 8 and name HB
) 2.7 0.9 0.9 volume=250216.000 peak=34 ppm1=8.077 ppm2=1.907
assign ( resid 8 and name HB
)
( resid 8 and name HA
) 2.5 0.8 0.8 volume=367030.000 peak=35 ppm1=1.901 ppm2=3.519
assign ( resid 8 and name HG2#
)
( resid 8 and name HA
) 2.1 0.5 0.5 volume=1401616.000 peak=36 ppm1=0.728 ppm2=3.512
assign ( resid 8 and name HA
)
( resid 8 and name HB
) 2.3 0.7 0.7 volume=599685.000 peak=37 ppm1=3.519 ppm2=1.902
assign ( resid 8 and name HG2#
)
( resid 8 and name HB
) 2.1 0.5 0.5 volume=1431548.000 peak=38 ppm1=0.725 ppm2=1.903
assign ( resid 8 and name HB
)
( resid 8 and name HG2#
) 2.2 0.6 0.6 volume=898288.000 peak=39 ppm1=1.902 ppm2=0.722
assign ( resid 8 and name HA
)
( resid 8 and name HG2#
) 2.1 0.5 0.5 volume=1415167.500 peak=40 ppm1=3.512 ppm2=0.728
assign ( resid 4 and name H
)
( resid 4 and name HA
) 3.0 1.1 1.1 volume=130785.000 peak=41 ppm1=8.027 ppm2=3.972
assign ( resid 4 and name H
)
( resid 4 and name HG
) 2.7 0.9 0.9 volume=252303.000 peak=42 ppm1=8.027 ppm2=1.583
assign ( resid 4 and name HA
)
( resid 4 and name HG
) 2.3 0.7 0.7 volume=621937.000 peak=43 ppm1=3.965 ppm2=1.586
assign ( resid 17 and name H
)
( resid 17 and name HA
) 2.4 0.7 0.7 volume=594409.500 peak=44 ppm1=7.922 ppm2=4.471
assign ( resid 17 and name H
)
( resid 17 and name HB3
) 2.5 0.8 0.8 volume=504703.500 peak=45 ppm1=7.923 ppm2=2.734
assign ( resid 17 and name HB3
)
( resid 17 and name HA
) 2.4 0.7 0.7 volume=657598.500 peak=46 ppm1=2.733 ppm2=4.470
assign ( resid 17 and name HB2
)
( resid 17 and name HA
) 2.4 0.7 0.7 volume=550265.000 peak=47 ppm1=2.697 ppm2=4.471
assign ( resid 16 and name H
)
( resid 16 and name HA
) 2.6 0.8 0.8 volume=376523.000 peak=48 ppm1=7.876 ppm2=4.169
assign ( resid 16 and name H
)
( resid 16 and name HB3
) 2.6 0.8 0.8 volume=372778.000 peak=49 ppm1=7.874 ppm2=3.114
assign ( resid 16 and name H
)
( resid 16 and name HB2
) 2.5 0.8 0.8 volume=426861.000 peak=50 ppm1=7.873 ppm2=2.876
assign ( resid 16 and name HB3
)
( resid 16 and name HA
) 2.4 0.7 0.7 volume=591235.500 peak=51 ppm1=3.109 ppm2=4.172
assign ( resid 16 and name HB2
)
( resid 16 and name HA
) 2.4 0.7 0.7 volume=471922.000 peak=52 ppm1=2.884 ppm2=4.172
assign ( resid 16 and name HB3
)
( resid 16 and name HB2
) 2.1 0.6 0.6 volume=1034124.000 peak=53 ppm1=3.113 ppm2=2.876
assign ( resid 16 and name HA
)
( resid 16 and name HB2
) 2.9 1.0 1.0 volume=173031.500 peak=54 ppm1=4.169 ppm2=2.876
assign ( resid 15 and name H
)
( resid 15 and name HA
) 2.4 0.7 0.7 volume=565073.500 peak=55 ppm1=7.821 ppm2=3.953
assign ( resid 15 and name H
)
( resid 15 and name HB3
) 2.1 0.6 0.6 volume=1163921.000 peak=56 ppm1=7.820 ppm2=1.759
assign ( resid 15 and name H
)
( resid 15 and name HG
) 2.5 0.8 0.8 volume=451531.000 peak=57 ppm1=7.820 ppm2=1.320
assign ( resid 15 and name HB3
)
( resid 15 and name HG
) 2.2 0.6 0.6 volume=808246.500 peak=58 ppm1=1.760 ppm2=1.323
assign ( resid 15 and name HA
)
( resid 15 and name HB3
) 2.4 0.7 0.7 volume=479234.500 peak=59 ppm1=3.947 ppm2=1.761
assign ( resid 15 and name HG
)
( resid 15 and name HB3
) 2.3 0.6 0.6 volume=734992.000 peak=60 ppm1=1.323 ppm2=1.761
assign ( resid 7 and name H
)
( resid 7 and name HA
) 2.7 0.9 0.9 volume=216714.500 peak=61 ppm1=7.820 ppm2=3.896
assign ( resid 7 and name HA
)
( resid 7 and name HB2
) 2.6 0.8 0.8 volume=340878.500 peak=62 ppm1=3.891 ppm2=1.745
assign ( resid 14 and name H
)
( resid 14 and name HA
) 2.6 0.9 0.9 volume=225833.000 peak=63 ppm1=7.502 ppm2=3.996
assign ( resid 14 and name H
)
( resid 14 and name HB3
) 2.3 0.7 0.7 volume=684789.500 peak=64 ppm1=7.503 ppm2=1.853
assign ( resid 14 and name H
)
( resid 14 and name HD2
) 2.8 1.0 1.0 volume=216761.000 peak=65 ppm1=7.502 ppm2=1.594
assign ( resid 14 and name H
)
( resid 14 and name HG3
) 2.8 1.0 1.0 volume=218023.500 peak=66 ppm1=7.503 ppm2=1.485
assign ( resid 14 and name HB2
or resid 14 and name HB3
)
( resid 14 and name HA
) 2.1 0.5 0.5 volume=1283684.000 peak=67 ppm1=1.853 ppm2=3.996
assign ( resid 14 and name HD2
)
( resid 14 and name HA
) 2.2 0.6 0.6 volume=917459.000 peak=68 ppm1=1.594 ppm2=3.996
assign ( resid 14 and name HG3
)
( resid 14 and name HB2
or resid 14 and name HB3
) 2.3 0.7 0.7 volume=573264.000 peak=69 ppm1=1.485 ppm2=1.852
assign ( resid 14 and name HB2
or resid 14 and name HB3
)
( resid 14 and name HD2
) 2.3 0.7 0.7 volume=686996.500 peak=70 ppm1=1.855 ppm2=1.594
assign ( resid 14 and name HB2
)
( resid 14 and name HD3
) 2.3 0.7 0.7 volume=686996.500 peak=70 ppm1=1.855 ppm2=1.594
assign ( resid 14 and name HB3
)
( resid 14 and name HG3
) 2.4 0.7 0.7 volume=513232.000 peak=71 ppm1=1.848 ppm2=1.484
assign ( resid 14 and name HA
)
( resid 14 and name HB2
or resid 14 and name HB3
) 2.1 0.6 0.6 volume=1145371.000 peak=72 ppm1=3.996 ppm2=1.852
assign ( resid 14 and name HA
)
( resid 14 and name HD2
) 2.3 0.7 0.7 volume=700906.500 peak=73 ppm1=3.994 ppm2=1.595
assign ( resid 11 and name H
)
( resid 11 and name HA
) 2.3 0.7 0.7 volume=522717.500 peak=74 ppm1=7.478 ppm2=4.005
assign ( resid 11 and name H
)
( resid 11 and name HB3
) 2.5 0.8 0.8 volume=433174.500 peak=75 ppm1=7.478 ppm2=1.922
assign ( resid 11 and name HA
)
( resid 11 and name HB3
) 2.5 0.8 0.8 volume=399566.500 peak=76 ppm1=3.997 ppm2=1.932
assign ( resid 12 and name H
)
( resid 12 and name HG1#
) 2.3 0.7 0.7 volume=695460.000 peak=77 ppm1=8.120 ppm2=0.936
assign ( resid 4 and name HB3
)
( resid 4 and name HG
) 2.7 0.9 0.9 volume=308354.500 peak=78 ppm1=1.957 ppm2=1.585
assign ( resid 4 and name HG
)
( resid 4 and name HB3
) 2.5 0.8 0.8 volume=359134.000 peak=79 ppm1=1.586 ppm2=1.952
assign ( resid 4 and name HA
)
( resid 4 and name HB3
) 2.7 0.9 0.9 volume=219312.500 peak=80 ppm1=3.977 ppm2=1.947
assign ( resid 4 and name HB3
)
( resid 4 and name HA
) 2.7 0.9 0.9 volume=247657.000 peak=81 ppm1=1.959 ppm2=3.978
assign ( resid 7 and name HD3
)
( resid 11 and name HB2
or resid 11 and name HB3
) 2.5 0.8 0.8 volume=433189.000 peak=82 ppm1=3.093 ppm2=1.938
assign ( resid 15 and name HB3
)
( resid 15 and name HA
) 2.4 0.7 0.7 volume=516908.500 peak=83 ppm1=1.759 ppm2=3.949
assign ( resid 2 and name HG3
)
( resid 2 and name HA
) 2.9 1.0 1.0 volume=174108.500 peak=84 ppm1=2.598 ppm2=4.284
assign ( resid 2 and name HG2
)
( resid 2 and name HA
) 2.9 1.1 1.1 volume=164779.000 peak=85 ppm1=2.561 ppm2=4.283
assign ( resid 2 and name HB3
)
( resid 2 and name HA
) 2.4 0.7 0.7 volume=537322.000 peak=86 ppm1=2.019 ppm2=4.287
assign ( resid 14 and name HE3
)
( resid 14 and name HA
) 3.0 1.1 1.1 volume=160035.000 peak=87 ppm1=2.856 ppm2=3.997
assign ( resid 14 and name HE2
)
( resid 14 and name HA
) 2.9 1.0 1.0 volume=163940.500 peak=88 ppm1=2.766 ppm2=3.996
assign ( resid 14 and name HB2
)
( resid 14 and name HE3
) 3.0 1.1 1.1 volume=139984.000 peak=89 ppm1=1.851 ppm2=2.859
assign ( resid 14 and name HD2
or resid 14 and name HD3
)
( resid 14 and name HE3
) 2.4 0.7 0.7 volume=542874.000 peak=90 ppm1=1.601 ppm2=2.860
assign ( resid 14 and name HG3
)
( resid 14 and name HE3
) 2.8 1.0 1.0 volume=194041.000 peak=91 ppm1=1.483 ppm2=2.861
assign ( resid 14 and name HB2
)
( resid 14 and name HE2
) 3.1 1.2 1.2 volume=102952.500 peak=92 ppm1=1.851 ppm2=2.775
assign ( resid 14 and name HD2
or resid 14 and name HD3
)
( resid 14 and name HE2
) 2.3 0.7 0.7 volume=635170.000 peak=93 ppm1=1.609 ppm2=2.778
assign ( resid 14 and name HG3
)
( resid 14 and name HE2
) 3.2 1.3 1.3 volume=88399.000 peak=94 ppm1=1.489 ppm2=2.777
assign ( resid 14 and name HE3
)
( resid 14 and name HB3
) 2.9 1.0 1.0 volume=213487.000 peak=95 ppm1=2.857 ppm2=1.851
assign ( resid 14 and name HE2
)
( resid 14 and name HD2
or resid 14 and name HD3
) 2.3 0.6 0.6 volume=794553.000 peak=96 ppm1=2.774 ppm2=1.604
assign ( resid 14 and name HE3
)
( resid 14 and name HD2
or resid 14 and name HD3
) 2.3 0.7 0.7 volume=811124.000 peak=97 ppm1=2.854 ppm2=1.594
assign ( resid 14 and name HE3
)
( resid 14 and name HG3
) 2.8 1.0 1.0 volume=275498.000 peak=98 ppm1=2.858 ppm2=1.482
assign ( resid 14 and name HA
)
( resid 14 and name HE3
) 3.2 1.3 1.3 volume=108681.500 peak=99 ppm1=3.995 ppm2=2.864
assign ( resid 14 and name HA
)
( resid 14 and name HE2
) 3.2 1.2 1.2 volume=98612.000 peak=100 ppm1=3.995 ppm2=2.775
assign ( resid 11 and name HB3
)
( resid 11 and name HA
) 2.4 0.7 0.7 volume=454093.000 peak=101 ppm1=1.928 ppm2=4.002
assign ( resid 16 and name HB2
)
( resid 16 and name HB3
) 2.1 0.6 0.6 volume=1109554.500 peak=102 ppm1=2.877 ppm2=3.116
assign ( resid 16 and name HA
)
( resid 16 and name HB3
) 2.8 1.0 1.0 volume=237049.000 peak=103 ppm1=4.164 ppm2=3.115
assign ( resid 2 and name HB3
)
( resid 2 and name HG3
) 2.3 0.7 0.7 volume=650726.500 peak=104 ppm1=2.020 ppm2=2.600
assign ( resid 2 and name HB3
)
( resid 2 and name HG2
) 2.3 0.7 0.7 volume=624791.000 peak=105 ppm1=2.018 ppm2=2.560
assign ( resid 2 and name HG2
)
( resid 2 and name HB3
) 2.4 0.7 0.7 volume=583979.500 peak=106 ppm1=2.565 ppm2=2.019
assign ( resid 2 and name HG3
)
( resid 2 and name HB3
) 2.3 0.7 0.7 volume=554097.000 peak=107 ppm1=2.599 ppm2=2.022
assign ( resid 2 and name HA
)
( resid 2 and name HG3
) 3.9 1.9 1.9 volume=32939.500 peak=108 ppm1=4.285 ppm2=2.598
assign ( resid 2 and name HA
)
( resid 2 and name HG2
) 3.8 1.8 1.8 volume=41390.000 peak=109 ppm1=4.286 ppm2=2.560
assign ( resid 2 and name HA
)
( resid 2 and name HB3
) 3.2 1.3 1.3 volume=96917.000 peak=110 ppm1=4.286 ppm2=2.019
assign ( resid 13 and name H
)
( resid 13 and name HA
) 2.6 0.8 0.8 volume=410268.000 peak=111 ppm1=8.301 ppm2=3.480
assign ( resid 13 and name HB
)
( resid 13 and name HA
) 2.6 0.9 0.9 volume=297047.000 peak=112 ppm1=2.034 ppm2=3.476
assign ( resid 13 and name HG2#
)
( resid 13 and name HB
) 2.1 0.6 0.6 volume=1349191.500 peak=113 ppm1=0.939 ppm2=2.034
assign ( resid 13 and name HG1#
)
( resid 13 and name HB
) 2.2 0.6 0.6 volume=1234476.500 peak=114 ppm1=0.864 ppm2=2.035
assign ( resid 13 and name HB
)
( resid 13 and name HG2#
) 2.3 0.7 0.7 volume=697725.500 peak=115 ppm1=2.034 ppm2=0.938
assign ( resid 13 and name HB
)
( resid 13 and name HG1#
) 2.3 0.7 0.7 volume=689560.000 peak=116 ppm1=2.032 ppm2=0.863
assign ( resid 13 and name HA
)
( resid 13 and name HB
) 2.4 0.7 0.7 volume=533307.000 peak=117 ppm1=3.475 ppm2=2.034
assign ( resid 13 and name HA
)
( resid 13 and name HG1#
) 2.0 0.5 0.5 volume=1622294.000 peak=118 ppm1=3.473 ppm2=0.865
assign ( resid 13 and name H
)
( resid 13 and name HB
) 2.5 0.8 0.8 volume=439292.500 peak=119 ppm1=8.303 ppm2=2.034
assign ( resid 12 and name HG1#
)
( resid 12 and name HA
) 2.0 0.5 0.5 volume=2031021.500 peak=120 ppm1=0.934 ppm2=3.505
assign ( resid 12 and name HG2#
)
( resid 12 and name HA
) 2.0 0.5 0.5 volume=1632790.000 peak=121 ppm1=0.853 ppm2=3.505
assign ( resid 12 and name HA
)
( resid 12 and name HG1#
) 2.0 0.5 0.5 volume=1641883.000 peak=122 ppm1=3.503 ppm2=0.938
assign ( resid 12 and name HA
)
( resid 12 and name HG2#
) 2.1 0.5 0.5 volume=1156395.000 peak=123 ppm1=3.502 ppm2=0.846
assign ( resid 4 and name H
)
( resid 4 and name HD2#
) 2.9 1.0 1.0 volume=150748.500 peak=124 ppm1=8.027 ppm2=0.724
assign ( resid 4 and name HD2#
)
( resid 4 and name HA
) 2.2 0.6 0.6 volume=1032288.000 peak=125 ppm1=0.719 ppm2=3.971
assign ( resid 4 and name HG
)
( resid 4 and name HD2#
) 2.1 0.5 0.5 volume=1270100.000 peak=126 ppm1=1.594 ppm2=0.746
assign ( resid 4 and name HA
)
( resid 4 and name HD2#
) 2.2 0.6 0.6 volume=868199.500 peak=127 ppm1=3.948 ppm2=0.729
assign ( resid 10 and name H
)
( resid 10 and name HA
) 2.7 0.9 0.9 volume=297884.000 peak=128 ppm1=7.805 ppm2=3.805
assign ( resid 10 and name HD2
)
( resid 10 and name HA
) 3.0 1.1 1.1 volume=154266.500 peak=129 ppm1=3.040 ppm2=3.805
assign ( resid 10 and name HB3
or resid 10 and name HB2
)
( resid 10 and name HA
) 2.3 0.7 0.7 volume=580813.000 peak=130 ppm1=1.742 ppm2=3.803
assign ( resid 10 and name HG3
)
( resid 10 and name HA
) 2.6 0.8 0.8 volume=348854.000 peak=131 ppm1=1.566 ppm2=3.805
assign ( resid 10 and name HA
)
( resid 10 and name HD3
) 2.8 1.0 1.0 volume=206606.500 peak=132 ppm1=3.804 ppm2=3.091
assign ( resid 10 and name HA
)
( resid 10 and name HD2
) 3.0 1.1 1.1 volume=139224.000 peak=133 ppm1=3.803 ppm2=3.044
assign ( resid 10 and name HA
)
( resid 10 and name HB3
or resid 10 and name HB2
) 2.2 0.6 0.6 volume=845857.000 peak=134 ppm1=3.804 ppm2=1.742
assign ( resid 10 and name HA
)
( resid 10 and name HG3
) 2.6 0.8 0.8 volume=384638.000 peak=135 ppm1=3.804 ppm2=1.564
assign ( resid 10 and name HD3
)
( resid 10 and name HB3
) 2.1 0.6 0.6 volume=967854.000 peak=136 ppm1=3.078 ppm2=1.746
assign ( resid 10 and name HD3
)
( resid 10 and name HG3
) 2.3 0.7 0.7 volume=612266.500 peak=137 ppm1=3.075 ppm2=1.563
assign ( resid 10 and name HD2
)
( resid 10 and name HB3
or resid 10 and name HB2
) 2.4 0.7 0.7 volume=408084.000 peak=138 ppm1=3.042 ppm2=1.741
assign ( resid 10 and name HD2
)
( resid 10 and name HG3
) 2.6 0.9 0.9 volume=284971.500 peak=139 ppm1=3.040 ppm2=1.564
assign ( resid 10 and name HB3
)
( resid 10 and name HD3
) 2.2 0.6 0.6 volume=722392.500 peak=140 ppm1=1.741 ppm2=3.073
assign ( resid 10 and name HG3
)
( resid 10 and name HD3
) 2.4 0.7 0.7 volume=509973.000 peak=141 ppm1=1.566 ppm2=3.074
assign ( resid 10 and name HB3
or resid 10 and name HB2
)
( resid 10 and name HD2
) 2.4 0.7 0.7 volume=412008.500 peak=142 ppm1=1.741 ppm2=3.041
assign ( resid 10 and name HG3
)
( resid 10 and name HD2
) 2.6 0.8 0.8 volume=332532.500 peak=143 ppm1=1.565 ppm2=3.039
assign ( resid 10 and name HG3
)
( resid 10 and name HB3
or resid 10 and name HB2
) 2.1 0.5 0.5 volume=1275841.500 peak=144 ppm1=1.568 ppm2=1.742
assign ( resid 10 and name HB3
or resid 10 and name HB2
)
( resid 10 and name HG3
) 2.1 0.6 0.6 volume=1047790.500 peak=145 ppm1=1.740 ppm2=1.562
assign ( resid 7 and name HG2
)
( resid 7 and name HA
) 2.7 0.9 0.9 volume=244993.000 peak=146 ppm1=1.509 ppm2=3.898
assign ( resid 7 and name HA
)
( resid 7 and name HG2
) 2.7 0.9 0.9 volume=293059.500 peak=147 ppm1=3.893 ppm2=1.515
assign ( resid 1 and name HB2
)
( resid 1 and name HA
) 2.9 1.0 1.0 volume=189850.000 peak=148 ppm1=1.585 ppm2=3.622
assign ( resid 1 and name HB3
)
( resid 1 and name HA
) 2.7 0.9 0.9 volume=272936.000 peak=149 ppm1=1.491 ppm2=3.623
assign ( resid 1 and name HG
)
( resid 1 and name HA
) 2.4 0.7 0.7 volume=382166.000 peak=150 ppm1=0.815 ppm2=3.621
assign ( resid 1 and name HA
)
( resid 1 and name HB2
) 2.8 1.0 1.0 volume=227548.000 peak=151 ppm1=3.617 ppm2=1.587
assign ( resid 1 and name HA
)
( resid 1 and name HB3
) 2.6 0.8 0.8 volume=356851.500 peak=152 ppm1=3.619 ppm2=1.497
assign ( resid 1 and name HA
)
( resid 1 and name HG
) 2.4 0.7 0.7 volume=511216.000 peak=153 ppm1=3.620 ppm2=0.814
assign ( resid 1 and name HG
)
( resid 1 and name HB3
) 2.1 0.6 0.6 volume=831920.500 peak=154 ppm1=0.826 ppm2=1.496
assign ( resid 14 and name HG2
)
( resid 14 and name HA
) 2.4 0.7 0.7 volume=504063.000 peak=155 ppm1=1.383 ppm2=3.996
assign ( resid 14 and name HG2
)
( resid 14 and name HB2
or resid 14 and name HB3
) 2.3 0.7 0.7 volume=616974.500 peak=156 ppm1=1.384 ppm2=1.857
assign ( resid 14 and name HG2
)
( resid 14 and name HD2
or resid 14 and name HD3
) 2.0 0.5 0.5 volume=1423903.500 peak=157 ppm1=1.384 ppm2=1.597
assign ( resid 14 and name HD2
)
( resid 14 and name HG2
) 2.0 0.5 0.5 volume=1311592.000 peak=158 ppm1=1.594 ppm2=1.385
assign ( resid 14 and name HB3
)
( resid 14 and name HG2
) 2.3 0.7 0.7 volume=621607.000 peak=159 ppm1=1.860 ppm2=1.379
assign ( resid 14 and name HA
)
( resid 14 and name HG2
) 2.5 0.8 0.8 volume=419360.500 peak=160 ppm1=3.994 ppm2=1.378
assign ( resid 4 and name HD2#
)
( resid 4 and name HB3
) 2.4 0.7 0.7 volume=586052.000 peak=161 ppm1=0.724 ppm2=1.950
assign ( resid 4 and name HD2#
)
( resid 4 and name HG
) 2.2 0.6 0.6 volume=861029.000 peak=162 ppm1=0.723 ppm2=1.582
assign ( resid 4 and name HB3
)
( resid 4 and name HD2#
) 2.6 0.8 0.8 volume=304609.500 peak=163 ppm1=1.958 ppm2=0.724
assign ( resid 14 and name HG2
)
( resid 14 and name HE3
) 2.9 1.0 1.0 volume=177822.000 peak=164 ppm1=1.372 ppm2=2.861
assign ( resid 14 and name HE3
)
( resid 14 and name HG2
) 2.7 0.9 0.9 volume=277916.000 peak=165 ppm1=2.860 ppm2=1.368
assign ( resid 9 and name HG12
)
( resid 9 and name HA
) 2.8 1.0 1.0 volume=198009.500 peak=166 ppm1=1.348 ppm2=3.442
assign ( resid 9 and name HG13
)
( resid 9 and name HB
) 2.5 0.8 0.8 volume=344681.000 peak=167 ppm1=0.906 ppm2=1.756
assign ( resid 9 and name HG12
)
( resid 9 and name HB
) 2.3 0.7 0.7 volume=571373.500 peak=168 ppm1=1.351 ppm2=1.763
assign ( resid 9 and name HB
)
( resid 9 and name HG12
) 2.4 0.7 0.7 volume=537574.500 peak=169 ppm1=1.760 ppm2=1.355
assign ( resid 9 and name HD1#
)
( resid 9 and name HG12
) 2.3 0.7 0.7 volume=744191.500 peak=170 ppm1=0.562 ppm2=1.350
assign ( resid 9 and name HG13
)
( resid 9 and name HG12
) 2.4 0.7 0.7 volume=543036.000 peak=171 ppm1=0.905 ppm2=1.347
assign ( resid 9 and name HD1#
)
( resid 9 and name HG13
) 2.2 0.6 0.6 volume=1024505.000 peak=172 ppm1=0.561 ppm2=0.908
assign ( resid 9 and name HG13
)
( resid 9 and name HD1#
) 2.4 0.7 0.7 volume=501448.000 peak=173 ppm1=0.917 ppm2=0.564
assign ( resid 9 and name HG12
)
( resid 9 and name HD1#
) 2.6 0.8 0.8 volume=328266.500 peak=174 ppm1=1.348 ppm2=0.565
assign ( resid 9 and name HA
)
( resid 9 and name HD1#
) 2.5 0.8 0.8 volume=450321.500 peak=175 ppm1=3.441 ppm2=0.559
assign ( resid 9 and name HA
)
( resid 9 and name HG12
) 2.7 0.9 0.9 volume=306661.500 peak=176 ppm1=3.441 ppm2=1.349
assign ( resid 12 and name H
)
( resid 9 and name HA
) 2.9 1.0 1.0 volume=177809.000 peak=177 ppm1=8.121 ppm2=3.444
assign ( resid 9 and name H
)
( resid 8 and name HA
) 3.1 1.2 1.2 volume=132287.000 peak=178 ppm1=8.202 ppm2=3.520
assign ( resid 9 and name H
)
( resid 11 and name H
) 3.5 1.5 1.5 volume=59937.000 peak=179 ppm1=8.200 ppm2=7.477
assign ( resid 17 and name H
)
( resid 16 and name HA
) 2.7 0.9 0.9 volume=292553.000 peak=180 ppm1=7.918 ppm2=4.168
assign ( resid 17 and name H
)
( resid 14 and name HA
) 2.8 1.0 1.0 volume=239186.500 peak=181 ppm1=7.921 ppm2=3.997
assign ( resid 9 and name H
)
( resid 6 and name HA
) 3.1 1.2 1.2 volume=141260.500 peak=182 ppm1=8.202 ppm2=4.227
assign ( resid 14 and name H
)
( resid 13 and name HA
) 2.8 1.0 1.0 volume=241181.000 peak=183 ppm1=7.503 ppm2=3.483
assign ( resid 11 and name H
)
( resid 8 and name HA
) 2.9 1.0 1.0 volume=200198.500 peak=184 ppm1=7.477 ppm2=3.515
assign ( resid 13 and name H
)
( resid 14 and name H
) 2.8 1.0 1.0 volume=255101.500 peak=185 ppm1=8.302 ppm2=7.503
assign ( resid 17 and name HD22
)
( resid 17 and name HA
) 3.6 1.6 1.6 volume=68881.500 peak=186 ppm1=7.426 ppm2=4.475
assign ( resid 17 and name HD21
)
( resid 17 and name HA
) 2.9 1.0 1.0 volume=238977.000 peak=187 ppm1=7.210 ppm2=4.471
assign ( resid 13 and name H
)
( resid 10 and name HA
) 2.9 1.1 1.1 volume=181177.500 peak=188 ppm1=8.302 ppm2=3.805
assign ( resid 13 and name H
)
( resid 15 and name H
) 3.2 1.3 1.3 volume=89335.500 peak=189 ppm1=8.302 ppm2=7.817
assign ( resid 13 and name H
)
( resid 12 and name H
) 2.9 1.0 1.0 volume=197125.000 peak=190 ppm1=8.302 ppm2=8.120
assign ( resid 9 and name H
)
( resid 5 and name HA
) 3.3 1.4 1.4 volume=89368.500 peak=191 ppm1=8.201 ppm2=4.101
assign ( resid 9 and name H
)
( resid 7 and name HA
) 3.6 1.6 1.6 volume=59978.500 peak=192 ppm1=8.203 ppm2=3.898
assign ( resid 8 and name H
)
( resid 7 and name HA
) 3.1 1.2 1.2 volume=115578.500 peak=193 ppm1=8.079 ppm2=3.897
assign ( resid 12 and name H
)
( resid 11 and name HA
) 3.0 1.1 1.1 volume=156242.500 peak=194 ppm1=8.117 ppm2=4.002
assign ( resid 12 and name H
)
( resid 11 and name H
) 2.8 1.0 1.0 volume=225507.000 peak=195 ppm1=8.119 ppm2=7.479
assign ( resid 8 and name H
)
( resid 6 and name HA
) 3.6 1.7 1.7 volume=43092.000 peak=196 ppm1=8.081 ppm2=4.227
assign ( resid 8 and name H
)
( resid 5 and name HA
) 3.1 1.2 1.2 volume=111150.500 peak=197 ppm1=8.082 ppm2=4.102
assign ( resid 16 and name H
)
( resid 15 and name HA
) 2.8 1.0 1.0 volume=204678.500 peak=198 ppm1=7.874 ppm2=3.956
assign ( resid 11 and name H
)
( resid 10 and name HA
) 2.9 1.1 1.1 volume=179007.000 peak=199 ppm1=7.477 ppm2=3.805
assign ( resid 6 and name H
)
( resid 5 and name HA
) 3.2 1.3 1.3 volume=100881.500 peak=200 ppm1=8.360 ppm2=4.104
assign ( resid 16 and name HD#
)
( resid 16 and name HA
) 2.4 0.7 0.7 volume=666566.500 peak=201 ppm1=7.214 ppm2=4.168
assign ( resid 12 and name H
)
( resid 10 and name HA
) 3.4 1.5 1.5 volume=66082.000 peak=202 ppm1=8.125 ppm2=3.804
assign ( resid 16 and name H
)
( resid 13 and name HA
) 2.9 1.1 1.1 volume=166732.000 peak=203 ppm1=7.875 ppm2=3.478
assign ( resid 11 and name H
)
( resid 7 and name HA
) 3.2 1.3 1.3 volume=91628.500 peak=204 ppm1=7.478 ppm2=3.898
assign ( resid 17 and name H
)
( resid 13 and name HA
) 3.1 1.2 1.2 volume=124863.000 peak=205 ppm1=7.917 ppm2=3.480
assign ( resid 9 and name H
)
( resid 10 and name H
) 2.9 1.0 1.0 volume=198004.500 peak=206 ppm1=8.201 ppm2=7.810
assign ( resid 6 and name H
)
( resid 7 and name H
) 3.1 1.2 1.2 volume=114339.000 peak=207 ppm1=8.366 ppm2=7.821
assign ( resid 8 and name H
)
( resid 7 and name H
) 3.0 1.1 1.1 volume=147824.000 peak=208 ppm1=8.084 ppm2=7.820
assign ( resid 9 and name H
)
( resid 8 and name H
) 2.9 1.1 1.1 volume=186938.000 peak=209 ppm1=8.202 ppm2=8.085
assign ( resid 15 and name H
)
( resid 14 and name H
) 2.6 0.8 0.8 volume=350103.500 peak=210 ppm1=7.819 ppm2=7.498
assign ( resid 7 and name H
)
( resid 6 and name HA
) 3.0 1.1 1.1 volume=141899.000 peak=211 ppm1=7.823 ppm2=4.229
assign ( resid 10 and name H
)
( resid 9 and name HA
) 3.0 1.1 1.1 volume=141420.500 peak=212 ppm1=7.805 ppm2=3.440
assign ( resid 15 and name H
)
( resid 12 and name HA
) 2.7 0.9 0.9 volume=299864.500 peak=213 ppm1=7.820 ppm2=3.506
assign ( resid 7 and name HB2
or resid 7 and name HB3
)
( resid 7 and name HA
) 2.4 0.7 0.7 volume=476247.000 peak=214 ppm1=1.793 ppm2=3.897
assign ( resid 7 and name HA
)
( resid 7 and name HB2
or resid 7 and name HB3
) 2.3 0.7 0.7 volume=642810.500 peak=215 ppm1=3.892 ppm2=1.794
assign ( resid 12 and name H
)
( resid 13 and name H
) 2.8 1.0 1.0 volume=203861.000 peak=216 ppm1=8.120 ppm2=8.301
assign ( resid 8 and name H
)
( resid 9 and name H
) 2.9 1.0 1.0 volume=162252.000 peak=217 ppm1=8.085 ppm2=8.202
assign ( resid 7 and name H
)
( resid 6 and name H
) 3.1 1.2 1.2 volume=120422.500 peak=218 ppm1=7.821 ppm2=8.366
assign ( resid 15 and name H
)
( resid 13 and name H
) 3.1 1.2 1.2 volume=122299.000 peak=219 ppm1=7.819 ppm2=8.301
assign ( resid 10 and name H
)
( resid 9 and name H
) 2.8 1.0 1.0 volume=203917.000 peak=220 ppm1=7.807 ppm2=8.202
assign ( resid 7 and name H
)
( resid 8 and name H
) 2.8 1.0 1.0 volume=200235.000 peak=221 ppm1=7.819 ppm2=8.085
assign ( resid 14 and name H
)
( resid 13 and name H
) 2.7 0.9 0.9 volume=281647.500 peak=222 ppm1=7.503 ppm2=8.301
assign ( resid 11 and name H
)
( resid 12 and name H
) 2.7 0.9 0.9 volume=292916.500 peak=223 ppm1=7.477 ppm2=8.118
assign ( resid 14 and name H
)
( resid 15 and name H
) 2.6 0.8 0.8 volume=350483.500 peak=224 ppm1=7.502 ppm2=7.821
assign ( resid 6 and name H
)
( resid 5 and name HB3
) 2.6 0.9 0.9 volume=309306.000 peak=225 ppm1=8.363 ppm2=3.083
assign ( resid 8 and name H
)
( resid 7 and name HD3
) 3.2 1.3 1.3 volume=102537.000 peak=226 ppm1=8.075 ppm2=3.085
assign ( resid 17 and name H
)
( resid 16 and name HB3
) 2.7 0.9 0.9 volume=275934.500 peak=227 ppm1=7.920 ppm2=3.114
assign ( resid 7 and name H
)
( resid 7 and name HD3
or resid 7 and name HD2
) 2.7 0.9 0.9 volume=260885.500 peak=228 ppm1=7.820 ppm2=3.087
assign ( resid 7 and name H
)
( resid 5 and name HA
) 3.4 1.5 1.5 volume=59817.000 peak=229 ppm1=7.818 ppm2=4.101
assign ( resid 11 and name H
)
( resid 9 and name HA
) 3.1 1.2 1.2 volume=106495.500 peak=230 ppm1=7.477 ppm2=3.442
assign ( resid 17 and name H
)
( resid 16 and name HB2
) 2.7 0.9 0.9 volume=277798.000 peak=231 ppm1=7.918 ppm2=2.876
assign ( resid 13 and name H
)
( resid 12 and name HB
) 2.8 1.0 1.0 volume=250336.500 peak=232 ppm1=8.301 ppm2=2.144
assign ( resid 9 and name H
)
( resid 8 and name HB
) 2.8 1.0 1.0 volume=250366.500 peak=233 ppm1=8.203 ppm2=1.907
assign ( resid 14 and name H
)
( resid 13 and name HB
) 2.7 0.9 0.9 volume=303610.500 peak=234 ppm1=7.504 ppm2=2.034
assign ( resid 7 and name HA
)
( resid 7 and name HD3
or resid 7 and name HD2
) 2.7 0.9 0.9 volume=270407.000 peak=235 ppm1=3.898 ppm2=3.090
assign ( resid 7 and name HG2
)
( resid 7 and name HD3
or resid 7 and name HD2
) 2.4 0.7 0.7 volume=457074.000 peak=236 ppm1=1.512 ppm2=3.093
assign ( resid 7 and name HB2
)
( resid 7 and name HD3
or resid 7 and name HD2
) 2.3 0.7 0.7 volume=626262.000 peak=237 ppm1=1.793 ppm2=3.087
assign ( resid 7 and name HD3
or resid 7 and name HD2
)
( resid 7 and name HG2
) 2.3 0.7 0.7 volume=705508.000 peak=238 ppm1=3.091 ppm2=1.519
assign ( resid 7 and name HD2
)
( resid 7 and name HG3
) 2.3 0.7 0.7 volume=705508.000 peak=238 ppm1=3.091 ppm2=1.519
assign ( resid 7 and name HD3
or resid 7 and name HD2
)
( resid 7 and name HB2
) 2.2 0.6 0.6 volume=942584.500 peak=239 ppm1=3.087 ppm2=1.793
assign ( resid 13 and name H
)
( resid 13 and name HG2#
) 2.3 0.6 0.6 volume=899179.000 peak=240 ppm1=8.303 ppm2=0.937
assign ( resid 14 and name H
)
( resid 13 and name HG2#
) 2.6 0.8 0.8 volume=375370.500 peak=241 ppm1=7.502 ppm2=0.938
assign ( resid 7 and name H
)
( resid 6 and name HB3
) 2.9 1.1 1.1 volume=177195.000 peak=242 ppm1=7.820 ppm2=2.694
assign ( resid 15 and name H
)
( resid 12 and name HG2#
) 2.8 1.0 1.0 volume=230672.000 peak=243 ppm1=7.821 ppm2=0.854
assign ( resid 17 and name H
)
( resid 13 and name HG2#
) 3.4 1.4 1.4 volume=80477.500 peak=244 ppm1=7.922 ppm2=0.938
assign ( resid 17 and name H
)
( resid 13 and name HG1#
) 3.1 1.2 1.2 volume=131471.000 peak=245 ppm1=7.919 ppm2=0.859
assign ( resid 16 and name H
)
( resid 12 and name HG2#
) 3.0 1.2 1.2 volume=123940.500 peak=246 ppm1=7.874 ppm2=0.853
assign ( resid 14 and name H
)
( resid 15 and name HG
) 3.1 1.2 1.2 volume=128585.500 peak=247 ppm1=7.503 ppm2=1.325
assign ( resid 16 and name H
)
( resid 15 and name HG
) 2.8 1.0 1.0 volume=190902.500 peak=248 ppm1=7.871 ppm2=1.317
assign ( resid 6 and name H
)
( resid 6 and name HB3
) 2.8 1.0 1.0 volume=228011.500 peak=249 ppm1=8.366 ppm2=2.691
assign ( resid 14 and name H
)
( resid 16 and name HB2
) 3.5 1.5 1.5 volume=66991.500 peak=250 ppm1=7.502 ppm2=2.868
assign ( resid 17 and name HD22
)
( resid 17 and name HB3
) 3.0 1.1 1.1 volume=198281.000 peak=251 ppm1=7.426 ppm2=2.734
assign ( resid 17 and name HD22
)
( resid 17 and name HB2
) 2.9 1.1 1.1 volume=207526.000 peak=252 ppm1=7.425 ppm2=2.695
assign ( resid 17 and name HD22
)
( resid 13 and name HA
) 3.6 1.6 1.6 volume=61027.000 peak=253 ppm1=7.428 ppm2=3.479
assign ( resid 17 and name HD22
)
( resid 13 and name HG1#
) 2.9 1.0 1.0 volume=231221.500 peak=254 ppm1=7.424 ppm2=0.861
assign ( resid 10 and name HA
)
( resid 13 and name HB
) 2.7 0.9 0.9 volume=313633.000 peak=255 ppm1=3.804 ppm2=2.036
assign ( resid 10 and name HA
)
( resid 12 and name HB
) 3.6 1.6 1.6 volume=47834.500 peak=256 ppm1=3.804 ppm2=2.145
assign ( resid 12 and name HB
)
( resid 10 and name HA
) 3.6 1.6 1.6 volume=46976.000 peak=257 ppm1=2.147 ppm2=3.801
assign ( resid 13 and name HB
)
( resid 10 and name HA
) 2.7 0.9 0.9 volume=235973.500 peak=258 ppm1=2.034 ppm2=3.805
assign ( resid 6 and name HA
)
( resid 9 and name HD1#
) 3.4 1.4 1.4 volume=78582.000 peak=259 ppm1=4.225 ppm2=0.564
assign ( resid 13 and name HG2#
)
( resid 14 and name HA
) 2.7 0.9 0.9 volume=302116.000 peak=260 ppm1=0.936 ppm2=3.999
assign ( resid 9 and name HD1#
)
( resid 6 and name HA
) 2.7 0.9 0.9 volume=322428.500 peak=261 ppm1=0.564 ppm2=4.225
assign ( resid 9 and name HG12
)
( resid 6 and name HA
) 3.3 1.4 1.4 volume=76062.500 peak=262 ppm1=1.349 ppm2=4.224
assign ( resid 10 and name HA
)
( resid 14 and name HG2
) 3.5 1.5 1.5 volume=66139.000 peak=263 ppm1=3.804 ppm2=1.371
assign ( resid 14 and name HG2
)
( resid 10 and name HA
) 3.6 1.6 1.6 volume=56704.500 peak=264 ppm1=1.379 ppm2=3.803
assign ( resid 9 and name HD1#
)
( resid 12 and name HB
) 3.3 1.3 1.3 volume=102294.000 peak=265 ppm1=0.561 ppm2=2.145
assign ( resid 12 and name HB
)
( resid 9 and name HD1#
) 3.7 1.7 1.7 volume=41994.500 peak=266 ppm1=2.144 ppm2=0.561
assign ( resid 6 and name HB3
)
( resid 7 and name HA
) 3.1 1.2 1.2 volume=126362.500 peak=267 ppm1=2.698 ppm2=3.891
assign ( resid 7 and name HA
)
( resid 6 and name HB3
) 3.2 1.3 1.3 volume=94134.500 peak=268 ppm1=3.894 ppm2=2.689
assign ( resid 16 and name HB2
)
( resid 13 and name HA
) 2.9 1.0 1.0 volume=178399.500 peak=269 ppm1=2.879 ppm2=3.472
assign ( resid 16 and name HB3
)
( resid 13 and name HA
) 2.8 1.0 1.0 volume=214974.000 peak=270 ppm1=3.105 ppm2=3.472
assign ( resid 13 and name HA
)
( resid 16 and name HB3
) 2.8 1.0 1.0 volume=216507.000 peak=271 ppm1=3.475 ppm2=3.106
assign ( resid 7 and name H
)
( resid 6 and name HB2
) 2.9 1.1 1.1 volume=168222.000 peak=272 ppm1=7.820 ppm2=2.772
assign ( resid 13 and name H
)
( resid 14 and name HB3
) 3.0 1.1 1.1 volume=151181.500 peak=273 ppm1=8.303 ppm2=1.852
assign ( resid 5 and name HB2
)
( resid 2 and name HA
) 2.7 0.9 0.9 volume=305584.500 peak=274 ppm1=3.084 ppm2=4.285
assign ( resid 2 and name HA
)
( resid 5 and name HB2
) 3.5 1.5 1.5 volume=66058.500 peak=275 ppm1=4.286 ppm2=3.080
assign ( resid 4 and name HD1#
)
( resid 5 and name HB3
or resid 5 and name HB2
) 2.7 0.9 0.9 volume=283262.000 peak=276 ppm1=0.723 ppm2=3.084
assign ( resid 12 and name HB
)
( resid 8 and name HG2#
) 2.8 1.0 1.0 volume=186434.000 peak=277 ppm1=2.144 ppm2=0.731
assign ( resid 13 and name HB
)
( resid 9 and name HG2#
) 2.9 1.1 1.1 volume=153290.500 peak=278 ppm1=2.025 ppm2=0.727
assign ( resid 9 and name HG2#
)
( resid 13 and name HB
) 2.8 1.0 1.0 volume=234612.000 peak=279 ppm1=0.727 ppm2=2.024
assign ( resid 8 and name HG2#
)
( resid 12 and name HB
) 2.7 0.9 0.9 volume=303023.000 peak=280 ppm1=0.727 ppm2=2.146
assign ( resid 5 and name HD#
)
( resid 5 and name HA
) 2.4 0.7 0.7 volume=544193.500 peak=281 ppm1=7.090 ppm2=4.104
assign ( resid 5 and name HD#
)
( resid 5 and name HB3
or resid 5 and name HB2
) 2.4 0.7 0.7 volume=671543.500 peak=282 ppm1=7.090 ppm2=3.088
assign ( resid 9 and name HD1#
)
( resid 5 and name HB3
or resid 5 and name HB2
) 3.0 1.1 1.1 volume=161075.000 peak=283 ppm1=0.563 ppm2=3.087
assign ( resid 15 and name HG
)
( resid 16 and name HA
) 3.4 1.5 1.5 volume=67075.500 peak=284 ppm1=1.324 ppm2=4.171
assign ( resid 8 and name HB
)
( resid 5 and name HA
) 2.8 1.0 1.0 volume=194663.500 peak=285 ppm1=1.901 ppm2=4.105
assign ( resid 5 and name HA
)
( resid 8 and name HB
) 3.1 1.2 1.2 volume=134213.000 peak=286 ppm1=4.105 ppm2=1.904
assign ( resid 7 and name HD2
)
( resid 4 and name HA
) 2.7 0.9 0.9 volume=279188.000 peak=287 ppm1=3.092 ppm2=3.976
assign ( resid 4 and name HA
)
( resid 7 and name HD2
) 2.9 1.1 1.1 volume=169011.500 peak=288 ppm1=3.977 ppm2=3.092
assign ( resid 2 and name HB3
)
( resid 5 and name HB3
or resid 5 and name HB2
) 3.0 1.1 1.1 volume=152851.000 peak=289 ppm1=2.021 ppm2=3.088
assign ( resid 10 and name HD3
)
( resid 13 and name HB
) 2.9 1.1 1.1 volume=155976.500 peak=290 ppm1=3.080 ppm2=2.026
assign ( resid 9 and name HD1#
)
( resid 8 and name HB
) 3.1 1.2 1.2 volume=127981.000 peak=291 ppm1=0.563 ppm2=1.903
assign ( resid 8 and name HB
)
( resid 9 and name HD1#
) 3.3 1.4 1.4 volume=65229.000 peak=292 ppm1=1.902 ppm2=0.563
assign ( resid 14 and name HE2
)
( resid 14 and name HG3
) 3.1 1.2 1.2 volume=97305.000 peak=293 ppm1=2.774 ppm2=1.484
assign ( resid 6 and name HB2
)
( resid 7 and name HA
) 3.0 1.2 1.2 volume=118342.500 peak=294 ppm1=2.769 ppm2=3.894
assign ( resid 7 and name HA
)
( resid 6 and name HB2
) 3.2 1.3 1.3 volume=90929.000 peak=295 ppm1=3.894 ppm2=2.773
assign ( resid 13 and name HG2#
)
( resid 10 and name HA
) 2.5 0.8 0.8 volume=511519.000 peak=296 ppm1=0.940 ppm2=3.803
assign ( resid 13 and name HG1#
)
( resid 10 and name HA
) 2.7 0.9 0.9 volume=292347.000 peak=297 ppm1=0.866 ppm2=3.803
assign ( resid 10 and name HA
)
( resid 13 and name HG2#
) 2.5 0.8 0.8 volume=434415.000 peak=298 ppm1=3.804 ppm2=0.941
assign ( resid 10 and name HA
)
( resid 13 and name HG1#
) 2.7 0.9 0.9 volume=276900.500 peak=299 ppm1=3.803 ppm2=0.865
assign ( resid 9 and name HG12
)
( resid 9 and name HG13
) 2.3 0.7 0.7 volume=592242.500 peak=300 ppm1=1.347 ppm2=0.907
assign ( resid 9 and name HB
)
( resid 9 and name HG13
) 2.4 0.7 0.7 volume=488684.500 peak=301 ppm1=1.758 ppm2=0.905
assign ( resid 9 and name H
)
( resid 9 and name HD1#
) 2.9 1.0 1.0 volume=203776.500 peak=302 ppm1=8.202 ppm2=0.565
assign ( resid 9 and name H
)
( resid 9 and name HG12
) 2.8 1.0 1.0 volume=237919.000 peak=303 ppm1=8.200 ppm2=1.350
assign ( resid 9 and name H
)
( resid 9 and name HG13
) 2.7 0.9 0.9 volume=286370.000 peak=304 ppm1=8.201 ppm2=0.896
assign ( resid 10 and name H
)
( resid 10 and name HD2
) 3.1 1.2 1.2 volume=106262.000 peak=305 ppm1=7.804 ppm2=3.040
assign ( resid 10 and name H
)
( resid 10 and name HD3
) 2.7 0.9 0.9 volume=233670.500 peak=306 ppm1=7.806 ppm2=3.087
assign ( resid 6 and name H
)
( resid 8 and name H
) 3.6 1.6 1.6 volume=44321.000 peak=307 ppm1=8.367 ppm2=8.072
assign ( resid 8 and name H
)
( resid 6 and name H
) 3.7 1.7 1.7 volume=35797.000 peak=308 ppm1=8.071 ppm2=8.368
assign ( resid 17 and name H
)
( resid 17 and name HD22
) 3.5 1.6 1.6 volume=67791.500 peak=309 ppm1=7.922 ppm2=7.426
assign ( resid 11 and name H
)
( resid 9 and name H
) 3.3 1.4 1.4 volume=81728.000 peak=310 ppm1=7.474 ppm2=8.199
assign ( resid 17 and name HD22
)
( resid 17 and name H
) 3.4 1.5 1.5 volume=83352.000 peak=311 ppm1=7.424 ppm2=7.914
assign ( resid 4 and name H
)
( resid 3 and name HA2
) 3.6 1.6 1.6 volume=42601.500 peak=312 ppm1=8.025 ppm2=4.100
assign ( resid 5 and name H
)
( resid 4 and name HG
) 2.9 1.0 1.0 volume=159009.000 peak=313 ppm1=8.281 ppm2=1.590
assign ( resid 9 and name H
)
( resid 10 and name HD2
or resid 10 and name HD3
) 3.2 1.3 1.3 volume=94311.000 peak=314 ppm1=8.207 ppm2=3.083
assign ( resid 8 and name H
)
( resid 7 and name HG2
or resid 7 and name HG3
) 3.3 1.3 1.3 volume=78511.000 peak=315 ppm1=8.068 ppm2=1.514
assign ( resid 16 and name H
)
( resid 13 and name HB
) 3.6 1.7 1.7 volume=39141.000 peak=316 ppm1=7.865 ppm2=2.034
assign ( resid 13 and name H
)
( resid 11 and name HA
) 3.1 1.2 1.2 volume=133467.000 peak=317 ppm1=8.300 ppm2=3.995