NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
640537 | 6h7q | 34306 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 2: dist.tbl assign ( resid 4 and name HE1 ) ( resid 4 and name HZ2 ) 2.9 1.2 0.6 volume=180998.000 peak=1 ppm1=9.793 ppm2=7.133 assign ( resid 4 and name HE1 ) ( resid 4 and name HD1 ) 2.6 0.8 0.5 volume=409619.000 peak=2 ppm1=9.792 ppm2=6.711 assign ( resid 4 and name HZ2 ) ( resid 4 and name HE1 ) 2.9 1.2 0.6 volume=190054.000 peak=3 ppm1=7.127 ppm2=9.796 assign ( resid 4 and name HD1 ) ( resid 4 and name HE1 ) 2.5 0.7 0.5 volume=519062.000 peak=4 ppm1=6.712 ppm2=9.790 assign ( resid 4 and name HZ2 ) ( resid 4 and name HH2 ) 2.3 0.6 0.5 volume=799224.000 peak=5 ppm1=7.135 ppm2=6.868 assign ( resid 4 and name HH2 ) ( resid 4 and name HZ3 ) 2.5 0.7 0.5 volume=503578.000 peak=6 ppm1=6.880 ppm2=6.480 assign ( resid 4 and name HH2 ) ( resid 4 and name HZ2 ) 2.4 0.7 0.5 volume=632638.000 peak=7 ppm1=6.867 ppm2=7.129 assign ( resid 4 and name HZ3 ) ( resid 4 and name HH2 ) 2.5 0.8 0.5 volume=448659.000 peak=8 ppm1=6.471 ppm2=6.871 assign ( resid 4 and name HZ3 ) ( resid 4 and name HE3 ) 2.6 0.9 0.5 volume=373513.000 peak=9 ppm1=6.475 ppm2=5.632 assign ( resid 4 and name HD1 or resid 11 and name HD1 ) ( resid 4 and name HB3 or resid 11 and name HB3 ) 2.9 1.1 0.6 volume=205329.000 peak=10 ppm1=6.715 ppm2=1.928 assign ( resid 4 and name HD1 ) ( resid 4 and name HB2 ) 2.8 1.1 0.6 volume=242354.000 peak=11 ppm1=6.713 ppm2=2.841 assign ( resid 4 and name HE3 ) ( resid 4 and name HA ) 2.9 1.2 0.6 volume=181076.000 peak=12 ppm1=5.625 ppm2=4.565 assign ( resid 4 and name HE3 ) ( resid 4 and name HB3 ) 3.2 1.4 0.6 volume=114150.000 peak=13 ppm1=5.626 ppm2=1.935 assign ( resid 4 and name HE3 ) ( resid 4 and name HB2 ) 3.4 1.7 0.7 volume=68049.000 peak=14 ppm1=5.629 ppm2=2.846 assign ( resid 4 and name HE3 ) ( resid 4 and name HZ3 ) 2.6 0.9 0.5 volume=361508.000 peak=15 ppm1=5.633 ppm2=6.478 assign ( resid 4 and name HB2 ) ( resid 4 and name HB3 ) 2.3 0.6 0.5 volume=726042.000 peak=16 ppm1=2.839 ppm2=1.926 assign ( resid 4 and name HB3 ) ( resid 4 and name HB2 ) 2.3 0.6 0.5 volume=795095.000 peak=17 ppm1=1.928 ppm2=2.839 assign ( resid 4 and name HB2 ) ( resid 4 and name HA ) 3.3 1.6 0.7 volume=90061.000 peak=18 ppm1=2.836 ppm2=4.570 assign ( resid 4 and name HB3 ) ( resid 4 and name HA ) 2.9 1.1 0.6 volume=205101.000 peak=19 ppm1=1.938 ppm2=4.560 assign ( resid 4 and name HB2 ) ( resid 4 and name HD1 ) 3.1 1.4 0.6 volume=122114.000 peak=20 ppm1=2.840 ppm2=6.717 assign ( resid 4 and name HB2 ) ( resid 4 and name H ) 3.1 1.3 0.6 volume=135978.000 peak=21 ppm1=2.840 ppm2=8.707 assign ( resid 4 and name HB3 ) ( resid 4 and name H ) 3.0 1.3 0.6 volume=160102.000 peak=22 ppm1=1.935 ppm2=8.712 assign ( resid 11 and name HE1 ) ( resid 11 and name HZ2 ) 3.0 1.3 0.6 volume=160767.000 peak=23 ppm1=9.944 ppm2=7.313 assign ( resid 11 and name HE1 ) ( resid 11 and name HD1 ) 2.6 0.8 0.5 volume=393307.000 peak=24 ppm1=9.944 ppm2=6.716 assign ( resid 11 and name H ) ( resid 11 and name HB2 ) 3.5 1.8 0.7 volume=60080.000 peak=25 ppm1=8.870 ppm2=2.704 assign ( resid 11 and name HZ2 ) ( resid 11 and name HE1 ) 3.1 1.3 0.6 volume=135913.000 peak=26 ppm1=7.312 ppm2=9.947 assign ( resid 11 and name HZ2 ) ( resid 11 and name HH2 ) 2.3 0.6 0.5 volume=747704.000 peak=27 ppm1=7.321 ppm2=7.025 assign ( resid 11 and name HH2 ) ( resid 11 and name HZ3 ) 2.5 0.8 0.5 volume=414015.000 peak=28 ppm1=7.027 ppm2=6.508 assign ( resid 11 and name HD1 ) ( resid 11 and name HE1 ) 2.5 0.8 0.5 volume=459708.000 peak=29 ppm1=6.718 ppm2=9.945 assign ( resid 11 and name HZ3 ) ( resid 2 and name HD1 ) 3.0 1.3 0.6 volume=142854.000 peak=30 ppm1=6.508 ppm2=7.330 assign ( resid 11 and name HZ3 ) ( resid 11 and name HH2 ) 2.6 0.8 0.5 volume=391728.000 peak=31 ppm1=6.502 ppm2=7.021 assign ( resid 11 and name HZ3 ) ( resid 11 and name HE3 ) 2.5 0.8 0.5 volume=421300.000 peak=32 ppm1=6.509 ppm2=5.224 assign ( resid 11 and name HD1 ) ( resid 11 and name HB2 ) 2.7 1.0 0.5 volume=272754.000 peak=33 ppm1=6.719 ppm2=2.671 assign ( resid 11 and name HE3 ) ( resid 11 and name HB3 ) 3.2 1.5 0.6 volume=99703.000 peak=34 ppm1=5.229 ppm2=1.934 assign ( resid 11 and name HE3 ) ( resid 11 and name HA ) 3.3 1.5 0.7 volume=95555.000 peak=35 ppm1=5.227 ppm2=4.193 assign ( resid 11 and name HE3 ) ( resid 11 and name HZ3 ) 2.7 1.0 0.5 volume=299871.000 peak=36 ppm1=5.223 ppm2=6.507 assign ( resid 11 and name HB2 ) ( resid 11 and name HD1 ) 3.2 1.4 0.6 volume=112543.000 peak=37 ppm1=2.673 ppm2=6.722 assign ( resid 11 and name HB2 ) ( resid 11 and name H ) 3.1 1.4 0.6 volume=120622.000 peak=38 ppm1=2.676 ppm2=8.880 assign ( resid 11 and name HB2 ) ( resid 11 and name HB3 ) 2.4 0.7 0.5 volume=617648.000 peak=39 ppm1=2.673 ppm2=1.925 assign ( resid 11 and name HB3 ) ( resid 11 and name HB2 ) 2.4 0.6 0.5 volume=646854.000 peak=40 ppm1=1.926 ppm2=2.673 assign ( resid 11 and name HB3 ) ( resid 11 and name HA ) 3.2 1.4 0.6 volume=114121.000 peak=41 ppm1=1.917 ppm2=4.201 assign ( resid 11 and name HB3 ) ( resid 11 and name H ) 3.1 1.3 0.6 volume=138703.000 peak=42 ppm1=1.941 ppm2=8.852 assign ( resid 2 and name HE1 ) ( resid 2 and name HD1 or resid 2 and name HZ2 ) 2.5 0.7 0.5 volume=499411.000 peak=43 ppm1=10.236 ppm2=7.338 assign ( resid 2 and name HD1 or resid 2 and name HZ2 ) ( resid 2 and name HE1 ) 2.4 0.7 0.5 volume=574917.000 peak=44 ppm1=7.338 ppm2=10.235 assign ( resid 2 and name HE3 ) ( resid 2 and name HZ3 ) 2.4 0.6 0.5 volume=660485.000 peak=45 ppm1=7.394 ppm2=7.132 assign ( resid 2 and name HZ3 ) ( resid 2 and name HE3 ) 2.4 0.7 0.5 volume=557514.000 peak=46 ppm1=7.125 ppm2=7.393 assign ( resid 2 and name HD1 or resid 2 and name HZ2 or resid 2 and name HE3 ) ( resid 2 and name HH2 ) 2.2 0.5 0.4 volume=977840.000 peak=47 ppm1=7.339 ppm2=7.177 assign ( resid 2 and name HH2 ) ( resid 2 and name HD1 or resid 2 and name HZ2 or resid 2 and name HE3 ) 2.3 0.6 0.5 volume=696723.000 peak=48 ppm1=7.206 ppm2=7.368 assign ( resid 2 and name HE3 ) ( resid 2 and name HA ) 2.8 1.1 0.6 volume=243543.000 peak=49 ppm1=7.388 ppm2=5.159 assign ( resid 2 and name HD1 ) ( resid 2 and name HB3 ) 2.8 1.1 0.6 volume=229384.000 peak=50 ppm1=7.338 ppm2=2.979 assign ( resid 2 and name HA ) ( resid 2 and name HE3 ) 3.3 1.6 0.7 volume=85889.000 peak=51 ppm1=5.168 ppm2=7.386 assign ( resid 2 and name HA ) ( resid 2 and name HB3 or resid 2 and name HB2 ) 3.2 1.4 0.6 volume=111404.000 peak=52 ppm1=5.162 ppm2=3.010 assign ( resid 2 and name HB3 ) ( resid 2 and name HA ) 3.4 1.7 0.7 volume=74574.000 peak=53 ppm1=2.964 ppm2=5.162 assign ( resid 2 and name HB2 ) ( resid 2 and name HA ) 3.1 1.3 0.6 volume=136868.000 peak=54 ppm1=3.039 ppm2=5.156 assign ( resid 2 and name HB2 ) ( resid 2 and name HE3 ) 3.1 1.4 0.6 volume=122702.000 peak=55 ppm1=3.041 ppm2=7.365 assign ( resid 2 and name HB3 ) ( resid 2 and name HD1 ) 3.1 1.4 0.6 volume=118341.000 peak=56 ppm1=2.973 ppm2=7.342 assign ( resid 9 and name HE1 ) ( resid 9 and name HZ2 or resid 9 and name HD1 ) 2.5 0.8 0.5 volume=468683.000 peak=57 ppm1=9.864 ppm2=7.208 assign ( resid 9 and name HD1 ) ( resid 9 and name HE1 ) 2.5 0.8 0.5 volume=470790.000 peak=58 ppm1=7.216 ppm2=9.861 assign ( resid 9 and name HZ2 ) ( resid 9 and name HE1 ) 3.0 1.3 0.6 volume=148629.000 peak=59 ppm1=7.179 ppm2=9.877 assign ( resid 9 and name HD1 ) ( resid 9 and name H ) 3.3 1.6 0.7 volume=87582.000 peak=60 ppm1=7.217 ppm2=8.513 assign ( resid 9 and name HE3 ) ( resid 9 and name HZ3 ) 2.4 0.7 0.5 volume=627657.000 peak=61 ppm1=7.244 ppm2=7.021 assign ( resid 9 and name HE3 ) ( resid 9 and name HA ) 2.7 1.0 0.5 volume=279879.000 peak=62 ppm1=7.238 ppm2=5.097 assign ( resid 9 and name HD1 ) ( resid 9 and name HB2 ) 2.8 1.1 0.6 volume=212888.000 peak=63 ppm1=7.221 ppm2=2.890 assign ( resid 9 and name HA ) ( resid 9 and name HE3 ) 3.2 1.5 0.6 volume=95839.000 peak=64 ppm1=5.101 ppm2=7.230 assign ( resid 9 and name HB2 ) ( resid 9 and name H ) 3.1 1.4 0.6 volume=128632.000 peak=65 ppm1=2.876 ppm2=8.511 assign ( resid 9 and name HB3 ) ( resid 9 and name H ) 3.1 1.3 0.6 volume=138481.000 peak=66 ppm1=3.176 ppm2=8.495 assign ( resid 9 and name HB2 ) ( resid 9 and name HD1 ) 3.1 1.4 0.6 volume=122551.000 peak=67 ppm1=2.891 ppm2=7.219 assign ( resid 9 and name HB2 ) ( resid 9 and name HA ) 3.4 1.7 0.7 volume=67687.000 peak=68 ppm1=2.878 ppm2=5.099 assign ( resid 9 and name HB3 ) ( resid 9 and name HA ) 2.9 1.2 0.6 volume=194281.000 peak=69 ppm1=3.168 ppm2=5.079 assign ( resid 9 and name HB2 ) ( resid 9 and name HB3 ) 2.4 0.7 0.5 volume=543688.000 peak=70 ppm1=2.882 ppm2=3.177 assign ( resid 1 and name HA ) ( resid 1 and name HB2 or resid 1 and name HB3 ) 2.9 1.2 0.6 volume=188099.000 peak=71 ppm1=3.443 ppm2=3.733 assign ( resid 1 and name HB2 or resid 1 and name HB3 ) ( resid 1 and name HA ) 3.0 1.3 0.6 volume=156246.000 peak=72 ppm1=3.732 ppm2=3.474 assign ( resid 3 and name H ) ( resid 3 and name HB ) 3.7 1.9 0.7 volume=43890.000 peak=73 ppm1=9.470 ppm2=3.921 assign ( resid 3 and name HG2# ) ( resid 3 and name HB ) 3.5 1.8 0.7 volume=59373.000 peak=74 ppm1=1.051 ppm2=3.944 assign ( resid 5 and name HB2 ) ( resid 5 and name HA ) 3.5 1.8 0.7 volume=56521.000 peak=75 ppm1=1.688 ppm2=4.258 assign ( resid 5 and name HB2 ) ( resid 5 and name HB3 ) 2.9 1.1 0.6 volume=207031.000 peak=76 ppm1=1.669 ppm2=1.831 assign ( resid 6 and name H ) ( resid 6 and name HA ) 3.0 1.3 0.6 volume=143183.000 peak=77 ppm1=9.009 ppm2=4.087 assign ( resid 6 and name HD22 ) ( resid 6 and name HD21 ) 2.2 0.5 0.4 volume=957106.000 peak=78 ppm1=7.237 ppm2=6.574 assign ( resid 6 and name HD21 ) ( resid 6 and name HD22 ) 2.2 0.5 0.4 volume=951120.000 peak=79 ppm1=6.576 ppm2=7.237 assign ( resid 6 and name HD22 ) ( resid 6 and name HA ) 2.9 1.2 0.6 volume=185913.000 peak=80 ppm1=7.237 ppm2=4.112 assign ( resid 6 and name HD21 ) ( resid 6 and name HA ) 3.4 1.6 0.7 volume=78551.000 peak=81 ppm1=6.577 ppm2=4.112 assign ( resid 6 and name HA ) ( resid 6 and name H ) 2.9 1.2 0.6 volume=179080.000 peak=82 ppm1=4.088 ppm2=9.018 assign ( resid 6 and name HA ) ( resid 6 and name HB2 ) 3.2 1.4 0.6 volume=115093.000 peak=83 ppm1=4.086 ppm2=2.822 assign ( resid 6 and name HB2 ) ( resid 6 and name HA ) 3.3 1.6 0.7 volume=88039.000 peak=84 ppm1=2.815 ppm2=4.084 assign ( resid 6 and name HB2 ) ( resid 6 and name HB3 ) 2.4 0.7 0.5 volume=552933.000 peak=85 ppm1=2.840 ppm2=2.535 assign ( resid 6 and name HB3 ) ( resid 6 and name HB2 ) 2.5 0.7 0.5 volume=498959.000 peak=86 ppm1=2.522 ppm2=2.829 assign ( resid 7 and name H ) ( resid 7 and name HA3 ) 2.7 0.9 0.5 volume=311537.000 peak=87 ppm1=7.421 ppm2=3.146 assign ( resid 7 and name H ) ( resid 7 and name HA2 ) 3.0 1.3 0.6 volume=158174.000 peak=88 ppm1=7.426 ppm2=3.722 assign ( resid 7 and name HA3 ) ( resid 7 and name HA2 ) 2.4 0.7 0.5 volume=619005.000 peak=89 ppm1=3.112 ppm2=3.724 assign ( resid 7 and name HA3 ) ( resid 7 and name H ) 3.1 1.4 0.6 volume=121877.000 peak=90 ppm1=3.116 ppm2=7.419 assign ( resid 7 and name HA2 ) ( resid 7 and name H ) 3.5 1.8 0.7 volume=58674.000 peak=91 ppm1=3.697 ppm2=7.423 assign ( resid 8 and name H ) ( resid 8 and name HA ) 3.0 1.3 0.6 volume=158469.000 peak=92 ppm1=6.726 ppm2=4.138 assign ( resid 8 and name HA ) ( resid 8 and name H ) 3.4 1.7 0.7 volume=71121.000 peak=93 ppm1=4.132 ppm2=6.739 assign ( resid 8 and name HE2 or resid 8 and name HE3 ) ( resid 8 and name HD2 or resid 8 and name HD3 ) 2.7 1.0 0.5 volume=269003.000 peak=94 ppm1=2.910 ppm2=1.563 assign ( resid 8 and name HE2 or resid 8 and name HE3 ) ( resid 8 and name HG2 or resid 8 and name HG3 ) 3.5 1.8 0.7 volume=59399.000 peak=95 ppm1=2.926 ppm2=1.142 assign ( resid 8 and name HB3 ) ( resid 8 and name HA ) 3.5 1.8 0.7 volume=58144.000 peak=96 ppm1=1.565 ppm2=4.158 assign ( resid 8 and name HD2 or resid 8 and name HD3 ) ( resid 8 and name HE2 or resid 8 and name HE3 ) 2.8 1.1 0.6 volume=217637.000 peak=97 ppm1=1.578 ppm2=2.922 assign ( resid 10 and name H ) ( resid 10 and name HB ) 3.4 1.6 0.7 volume=77903.000 peak=98 ppm1=9.748 ppm2=3.954 assign ( resid 10 and name HG2# ) ( resid 10 and name HB ) 3.4 1.7 0.7 volume=73141.000 peak=99 ppm1=1.102 ppm2=3.963 assign ( resid 12 and name HA ) ( resid 12 and name H ) 3.4 1.7 0.7 volume=70782.000 peak=100 ppm1=4.114 ppm2=7.523 assign ( resid 12 and name HE2 or resid 12 and name HE3 ) ( resid 12 and name HD3 or resid 12 and name HD2 ) 3.3 1.6 0.7 volume=84138.000 peak=101 ppm1=2.744 ppm2=1.427 assign ( resid 12 and name HB2 ) ( resid 12 and name HG3 or resid 12 and name HG2 ) 3.5 1.7 0.7 volume=61939.000 peak=102 ppm1=1.295 ppm2=1.120 assign ( resid 12 and name HG3 ) ( resid 12 and name HB3 or resid 12 and name HD3 or resid 12 and name HD2 ) 3.3 1.6 0.7 volume=91920.000 peak=103 ppm1=1.130 ppm2=1.423 assign ( resid 3 and name HG2# ) ( resid 12 and name HB3 or resid 12 and name HD3 or resid 12 and name HD2 ) 3.4 1.7 0.7 volume=73111.000 peak=104 ppm1=1.047 ppm2=1.413 assign ( resid 1 and name HA ) ( resid 2 and name H ) 3.3 1.6 0.7 volume=83806.000 peak=105 ppm1=3.452 ppm2=8.807 assign ( resid 2 and name HA ) ( resid 3 and name H ) 2.8 1.1 0.6 volume=244595.000 peak=106 ppm1=5.161 ppm2=9.469 assign ( resid 2 and name HA ) ( resid 11 and name HA ) 3.3 1.6 0.7 volume=83041.000 peak=107 ppm1=5.161 ppm2=4.195 assign ( resid 2 and name HB3 ) ( resid 9 and name HE3 ) 3.0 1.3 0.6 volume=140589.000 peak=108 ppm1=3.038 ppm2=7.252 assign ( resid 2 and name HE1 ) ( resid 11 and name HZ3 ) 3.4 1.7 0.7 volume=71354.000 peak=109 ppm1=10.236 ppm2=6.505 assign ( resid 2 and name HE1 ) ( resid 11 and name HE3 ) 3.6 1.8 0.7 volume=53685.000 peak=110 ppm1=10.242 ppm2=5.208 assign ( resid 2 and name HD1 ) ( resid 11 and name HZ3 ) 3.0 1.3 0.6 volume=160542.000 peak=111 ppm1=7.335 ppm2=6.507 assign ( resid 2 and name HD1 ) ( resid 11 and name HE3 ) 3.3 1.6 0.7 volume=81128.000 peak=112 ppm1=7.339 ppm2=5.218 assign ( resid 2 and name HE3 ) ( resid 10 and name H ) 3.6 1.8 0.7 volume=56114.000 peak=113 ppm1=7.389 ppm2=9.754 assign ( resid 2 and name HE3 ) ( resid 3 and name H ) 3.5 1.8 0.7 volume=60915.000 peak=114 ppm1=7.390 ppm2=9.469 assign ( resid 2 and name HE3 ) ( resid 11 and name HA ) 3.4 1.7 0.7 volume=76198.000 peak=115 ppm1=7.387 ppm2=4.187 assign ( resid 2 and name HE3 ) ( resid 2 and name HB3 or resid 2 and name HB2 ) 3.0 1.3 0.6 volume=153585.000 peak=116 ppm1=7.389 ppm2=3.033 assign ( resid 3 and name H ) ( resid 2 and name HA ) 2.5 0.8 0.5 volume=472306.000 peak=117 ppm1=9.469 ppm2=5.158 assign ( resid 3 and name H ) ( resid 10 and name H ) 3.4 1.7 0.7 volume=75218.000 peak=118 ppm1=9.469 ppm2=9.760 assign ( resid 4 and name HZ3 ) ( resid 9 and name HE1 ) 3.4 1.7 0.7 volume=70675.000 peak=119 ppm1=6.480 ppm2=9.870 assign ( resid 4 and name HZ3 ) ( resid 9 and name H ) 3.5 1.7 0.7 volume=62995.000 peak=120 ppm1=6.473 ppm2=8.521 assign ( resid 4 and name HZ3 ) ( resid 9 and name HD1 ) 3.1 1.4 0.6 volume=122107.000 peak=121 ppm1=6.477 ppm2=7.215 assign ( resid 4 and name HZ3 ) ( resid 8 and name HA ) 3.3 1.6 0.7 volume=91590.000 peak=122 ppm1=6.480 ppm2=4.139 assign ( resid 2 and name HZ3 or resid 9 and name HH2 ) ( resid 4 and name HB3 or resid 11 and name HB3 ) 3.3 1.6 0.7 volume=89470.000 peak=123 ppm1=7.127 ppm2=1.934 assign ( resid 4 and name HE3 ) ( resid 9 and name HD1 ) 3.4 1.7 0.7 volume=68487.000 peak=124 ppm1=5.633 ppm2=7.208 assign ( resid 4 and name HE3 ) ( resid 9 and name HA ) 3.2 1.4 0.6 volume=112292.000 peak=125 ppm1=5.626 ppm2=5.097 assign ( resid 5 and name H ) ( resid 4 and name HA ) 3.3 1.6 0.7 volume=87602.000 peak=126 ppm1=8.376 ppm2=4.573 assign ( resid 5 and name HA ) ( resid 6 and name H ) 3.2 1.5 0.6 volume=109658.000 peak=127 ppm1=4.251 ppm2=9.014 assign ( resid 6 and name H ) ( resid 5 and name HA ) 3.1 1.4 0.6 volume=117511.000 peak=128 ppm1=9.013 ppm2=4.253 assign ( resid 9 and name HE3 ) ( resid 10 and name H ) 3.4 1.7 0.7 volume=74611.000 peak=129 ppm1=7.244 ppm2=9.736 assign ( resid 9 and name HE3 ) ( resid 3 and name H ) 3.6 1.8 0.7 volume=54690.000 peak=130 ppm1=7.242 ppm2=9.478 assign ( resid 6 and name HA ) ( resid 7 and name H ) 3.3 1.5 0.7 volume=93491.000 peak=131 ppm1=4.078 ppm2=7.425 assign ( resid 7 and name H ) ( resid 8 and name H ) 3.1 1.3 0.6 volume=135648.000 peak=132 ppm1=7.426 ppm2=6.732 assign ( resid 7 and name H ) ( resid 6 and name HA ) 3.0 1.3 0.6 volume=140367.000 peak=133 ppm1=7.427 ppm2=4.086 assign ( resid 8 and name H ) ( resid 5 and name H ) 3.3 1.6 0.7 volume=80393.000 peak=134 ppm1=6.734 ppm2=8.369 assign ( resid 8 and name H ) ( resid 7 and name H ) 3.2 1.5 0.6 volume=102428.000 peak=135 ppm1=6.734 ppm2=7.427 assign ( resid 8 and name H ) ( resid 7 and name HA2 ) 3.4 1.7 0.7 volume=68664.000 peak=136 ppm1=6.728 ppm2=3.715 assign ( resid 8 and name HA ) ( resid 9 and name H ) 2.8 1.0 0.6 volume=258886.000 peak=137 ppm1=4.143 ppm2=8.510 assign ( resid 8 and name HA ) ( resid 4 and name HZ3 ) 3.4 1.7 0.7 volume=74451.000 peak=138 ppm1=4.134 ppm2=6.498 assign ( resid 8 and name HB2 ) ( resid 8 and name HG2 ) 3.1 1.4 0.6 volume=125744.000 peak=139 ppm1=1.607 ppm2=1.195 assign ( resid 8 and name HG2 ) ( resid 8 and name HB2 ) 3.5 1.8 0.7 volume=58345.000 peak=140 ppm1=1.160 ppm2=1.612 assign ( resid 9 and name HA ) ( resid 10 and name H ) 3.0 1.2 0.6 volume=169731.000 peak=141 ppm1=5.094 ppm2=9.748 assign ( resid 9 and name HA ) ( resid 4 and name HA ) 3.2 1.5 0.6 volume=97716.000 peak=142 ppm1=5.093 ppm2=4.536 assign ( resid 9 and name HE1 ) ( resid 4 and name HZ3 ) 3.4 1.7 0.7 volume=72963.000 peak=143 ppm1=9.862 ppm2=6.475 assign ( resid 9 and name HD1 ) ( resid 4 and name HZ3 ) 2.9 1.2 0.6 volume=174974.000 peak=144 ppm1=7.217 ppm2=6.480 assign ( resid 9 and name HD1 ) ( resid 4 and name HE3 ) 3.6 1.8 0.7 volume=54839.000 peak=145 ppm1=7.223 ppm2=5.625 assign ( resid 2 and name HH2 ) ( resid 11 and name HB3 ) 3.4 1.7 0.7 volume=72640.000 peak=146 ppm1=7.203 ppm2=1.929 assign ( resid 9 and name HE3 ) ( resid 2 and name HB3 or resid 2 and name HB2 ) 2.9 1.2 0.6 volume=201159.000 peak=147 ppm1=7.241 ppm2=3.027 assign ( resid 9 and name HZ3 ) ( resid 4 and name H ) 3.5 1.7 0.7 volume=62590.000 peak=148 ppm1=7.007 ppm2=8.706 assign ( resid 9 and name HZ3 or resid 11 and name HH2 ) ( resid 9 and name HE3 or resid 11 and name HZ2 ) 2.3 0.6 0.5 volume=814743.000 peak=149 ppm1=7.010 ppm2=7.287 assign ( resid 9 and name HZ3 ) ( resid 2 and name HB3 or resid 2 and name HB2 ) 3.5 1.8 0.7 volume=60379.000 peak=150 ppm1=7.006 ppm2=2.995 assign ( resid 9 and name HZ3 ) ( resid 4 and name HB3 ) 3.4 1.7 0.7 volume=76039.000 peak=151 ppm1=7.009 ppm2=1.939 assign ( resid 9 and name HE3 ) ( resid 4 and name HB3 ) 3.5 1.8 0.7 volume=59585.000 peak=152 ppm1=7.239 ppm2=1.951 assign ( resid 10 and name H ) ( resid 9 and name HA ) 2.5 0.8 0.5 volume=453601.000 peak=153 ppm1=9.748 ppm2=5.094 assign ( resid 10 and name H ) ( resid 3 and name H ) 3.3 1.6 0.7 volume=85208.000 peak=154 ppm1=9.741 ppm2=9.464 assign ( resid 10 and name H ) ( resid 2 and name HE3 ) 3.6 1.8 0.7 volume=53643.000 peak=155 ppm1=9.739 ppm2=7.376 assign ( resid 10 and name H ) ( resid 9 and name HE3 ) 3.6 1.8 0.7 volume=54332.000 peak=156 ppm1=9.750 ppm2=7.229 assign ( resid 11 and name HA ) ( resid 12 and name H ) 2.9 1.1 0.6 volume=207570.000 peak=157 ppm1=4.191 ppm2=7.529 assign ( resid 11 and name HA ) ( resid 2 and name HA ) 3.1 1.4 0.6 volume=117265.000 peak=158 ppm1=4.191 ppm2=5.179 assign ( resid 11 and name HZ3 ) ( resid 2 and name HE1 ) 3.5 1.7 0.7 volume=64828.000 peak=159 ppm1=6.510 ppm2=10.234 assign ( resid 11 and name HZ3 ) ( resid 1 and name HA ) 3.3 1.6 0.7 volume=89873.000 peak=160 ppm1=6.512 ppm2=3.469 assign ( resid 11 and name HE3 ) ( resid 2 and name HD1 ) 3.4 1.7 0.7 volume=71967.000 peak=161 ppm1=5.230 ppm2=7.345 assign ( resid 12 and name H ) ( resid 2 and name HA ) 3.5 1.8 0.7 volume=58546.000 peak=162 ppm1=7.539 ppm2=5.167 assign ( resid 12 and name H ) ( resid 11 and name HA ) 2.5 0.8 0.5 volume=469202.000 peak=163 ppm1=7.529 ppm2=4.186 assign ( resid 6 and name HA ) ( resid 6 and name HD22 ) 3.2 1.5 0.6 volume=109570.000 peak=164 ppm1=4.117 ppm2=7.243 assign ( resid 9 and name HE3 ) ( resid 4 and name HA ) 3.4 1.7 0.7 volume=67403.000 peak=165 ppm1=7.237 ppm2=4.563 assign ( resid 8 and name HE2 or resid 8 and name HE3 ) ( resid 9 and name H ) 3.2 1.5 0.6 volume=99845.000 peak=166 ppm1=2.912 ppm2=8.531 assign ( resid 11 and name HB2 ) ( resid 11 and name HA ) 3.5 1.8 0.7 volume=57899.000 peak=167 ppm1=2.654 ppm2=4.173 assign ( resid 3 and name H ) ( resid 2 and name HE3 ) 3.7 1.9 0.7 volume=41186.000 peak=168 ppm1=9.465 ppm2=7.400 assign ( resid 2 and name HZ3 ) ( resid 11 and name H ) 3.7 1.9 0.7 volume=43436.000 peak=169 ppm1=7.127 ppm2=8.879 assign ( resid 2 and name HD1 ) ( resid 2 and name H ) 3.7 1.8 0.7 volume=45351.000 peak=170 ppm1=7.334 ppm2=8.809 assign ( resid 4 and name HD1 ) ( resid 4 and name H ) 3.6 1.8 0.7 volume=48173.000 peak=171 ppm1=6.712 ppm2=8.709 assign ( resid 2 and name HZ3 ) ( resid 2 and name HA ) 3.6 1.8 0.7 volume=51226.000 peak=172 ppm1=7.125 ppm2=5.145 assign ( resid 11 and name HH2 ) ( resid 11 and name HE3 ) 3.6 1.8 0.7 volume=49028.000 peak=173 ppm1=7.022 ppm2=5.215 assign ( resid 12 and name H ) ( resid 12 and name HB2 ) 3.5 1.8 0.7 volume=57022.000 peak=174 ppm1=7.529 ppm2=1.304 assign ( resid 8 and name H ) ( resid 8 and name HB3 or resid 8 and name HB2 ) 3.7 1.8 0.7 volume=47131.000 peak=175 ppm1=6.733 ppm2=1.591 assign ( resid 8 and name H ) ( resid 8 and name HG3 ) 3.7 1.8 0.7 volume=45080.000 peak=176 ppm1=6.727 ppm2=1.100 assign ( resid 11 and name H ) ( resid 12 and name HB3 ) 3.6 1.8 0.7 volume=51441.000 peak=177 ppm1=8.861 ppm2=1.392 assign ( resid 2 and name HZ3 ) ( resid 11 and name HB2 ) 3.7 1.9 0.7 volume=42551.000 peak=178 ppm1=7.124 ppm2=2.671 assign ( resid 12 and name HB2 ) ( resid 10 and name HB ) 3.7 1.9 0.7 volume=42244.000 peak=179 ppm1=1.257 ppm2=3.967 assign ( resid 12 and name HD3 or resid 12 and name HD2 ) ( resid 12 and name HE2 or resid 12 and name HE3 ) 3.5 1.7 0.7 volume=64476.000 peak=180 ppm1=1.461 ppm2=2.719 assign ( resid 2 and name HD1 ) ( resid 1 and name HA ) 3.7 1.8 0.7 volume=44635.000 peak=181 ppm1=7.343 ppm2=3.478 assign ( resid 11 and name HH2 ) ( resid 1 and name HA ) 3.7 1.8 0.7 volume=44734.000 peak=182 ppm1=7.021 ppm2=3.473 assign ( resid 11 and name HE3 ) ( resid 1 and name HA ) 3.7 1.9 0.7 volume=42935.000 peak=183 ppm1=5.237 ppm2=3.492 assign ( resid 7 and name HA2 ) ( resid 8 and name H ) 3.7 1.8 0.7 volume=45503.000 peak=184 ppm1=3.744 ppm2=6.760 assign ( resid 1 and name HA ) ( resid 11 and name HZ3 ) 3.6 1.8 0.7 volume=53403.000 peak=185 ppm1=3.449 ppm2=6.495 assign ( resid 1 and name HA ) ( resid 11 and name HH2 ) 3.4 1.7 0.7 volume=73527.000 peak=186 ppm1=3.439 ppm2=7.029 assign ( resid 7 and name HA3 ) ( resid 8 and name H ) 3.3 1.6 0.7 volume=82871.000 peak=187 ppm1=3.109 ppm2=6.719 assign ( resid 7 and name H ) ( resid 6 and name H ) 3.9 1.9 0.8 volume=32568.000 peak=188 ppm1=7.424 ppm2=8.993 assign ( resid 2 and name HE3 ) ( resid 11 and name H ) 3.8 1.9 0.8 volume=37080.000 peak=189 ppm1=7.388 ppm2=8.876 !assign ( resid 4 and name HH2 ! ) ! ( resid 4 and name HE1 ! ) 3.8 1.9 0.8 volume=36626.000 peak=190 ppm1=6.894 ppm2=9.783 assign ( resid 4 and name HZ2 ) ( resid 7 and name HA2 ) 3.8 1.9 0.8 volume=35787.000 peak=191 ppm1=7.127 ppm2=3.727 assign ( resid 2 and name HZ3 ) ( resid 11 and name HA ) 3.8 1.9 0.8 volume=38383.000 peak=192 ppm1=7.129 ppm2=4.190 !assign ( resid 4 and name HE3 ! ) ! ( resid 4 and name HE1 ! ) 3.8 1.9 0.8 volume=38455.000 peak=193 ppm1=5.630 ppm2=9.794 assign ( resid 9 and name HE1 ) ( resid 4 and name HE3 ) 3.8 1.9 0.8 volume=36810.000 peak=194 ppm1=9.859 ppm2=5.634 assign ( resid 4 and name HE3 ) ( resid 5 and name H ) 3.8 1.9 0.8 volume=39143.000 peak=195 ppm1=5.640 ppm2=8.364 assign ( resid 2 and name HA ) ( resid 2 and name H ) 3.7 1.8 0.7 volume=46609.000 peak=196 ppm1=5.163 ppm2=8.828 assign ( resid 8 and name HA ) ( resid 8 and name HD2 or resid 8 and name HD3 or resid 8 and name HB3 or resid 8 and name HB2 ) 3.7 1.9 0.7 volume=43195.000 peak=197 ppm1=4.139 ppm2=1.585 assign ( resid 12 and name HA ) ( resid 12 and name HB2 ) 3.7 1.8 0.7 volume=47455.000 peak=198 ppm1=4.103 ppm2=1.320 assign ( resid 2 and name HB2 ) ( resid 9 and name HZ3 ) 3.5 1.8 0.7 volume=60624.000 peak=199 ppm1=3.033 ppm2=7.042
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