Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
627907 | 5mnw RC | 34077 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: cns_run30.tbl
assi
( segid " A" and resid 113 and name HG* )
( segid " A" and resid 113 and name HB* )
3.654 1.462 1.462
or
(( segid " A" and resid 113 and name HB2 ))
(( segid " A" and resid 113 and name HB3 ))
assi
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB3 ))
3.679 1.472 1.472
or
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 14 and name HG12))
assi
( segid " A" and resid 20 and name HB* )
(( segid " A" and resid 20 and name HA ))
2.628 0.908 1.051
assi
(( segid " A" and resid 23 and name HG3 ))
(( segid " A" and resid 20 and name HA ))
2.799 1.079 1.119
or
(( segid " A" and resid 19 and name HB2 ))
(( segid " A" and resid 20 and name HA ))
assi
(( segid " A" and resid 174 and name HA ))
( segid " A" and resid 174 and name HB* )
2.957 1.183 1.183
assi
( segid " A" and resid 121 and name HG* )
( segid " A" and resid 121 and name HD* )
2.975 1.190 1.190
assi
(( segid " A" and resid 62 and name HA ))
(( segid " A" and resid 62 and name H ))
2.897 1.159 1.159
or
(( segid " A" and resid 62 and name HA ))
(( segid " A" and resid 63 and name H ))
assi
(( segid " A" and resid 127 and name HA ))
( segid " A" and resid 127 and name HG* )
2.603 0.883 1.041
assi
(( segid " A" and resid 127 and name HA ))
(( segid " A" and resid 128 and name HA2 ))
3.135 1.254 1.254
or
(( segid " A" and resid 127 and name HA ))
(( segid " A" and resid 126 and name HA ))
assi
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 165 and name H ))
3.737 1.495 1.495
or
(( segid " A" and resid 164 and name HA ))
(( segid " A" and resid 164 and name H ))
assi
(( segid " A" and resid 53 and name HA ))
(( segid " A" and resid 53 and name H ))
2.931 1.172 1.172
or
(( segid " A" and resid 54 and name HA ))
(( segid " A" and resid 54 and name H ))
assi
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 63 and name H ))
3.576 1.430 1.430
or
(( segid " A" and resid 62 and name HB2 ))
(( segid " A" and resid 62 and name H ))
assi
(( segid " A" and resid 62 and name HB3 ))
(( segid " A" and resid 62 and name H ))
3.631 1.453 1.453
or
(( segid " A" and resid 62 and name HB3 ))
(( segid " A" and resid 63 and name H ))
assi
(( segid " A" and resid 58 and name HB ))
( segid " A" and resid 57 and name HB* )
2.652 0.932 1.061
or
(( segid " A" and resid 58 and name HB ))
(( segid " A" and resid 28 and name HB3 ))
assi
(( segid " A" and resid 184 and name HE2 ))
( segid " A" and resid 184 and name HD* )
2.193 0.473 0.877
or
( segid " A" and resid 184 and name HD* )
( segid " A" and resid 27 and name HE* )
or
( segid " A" and resid 27 and name HD* )
( segid " A" and resid 27 and name HE* )
or
(( segid " A" and resid 184 and name HE2 ))
(( segid " A" and resid 27 and name HD2 ))
assi
(( segid " A" and resid 127 and name HD3 ))
( segid " A" and resid 127 and name HG* )
2.079 0.359 0.831
assi
(( segid " A" and resid 27 and name HD3 ))
( segid " A" and resid 27 and name HB* )
2.312 0.592 0.925
assi
(( segid " A" and resid 165 and name HD2 ))
( segid " A" and resid 180 and name HD* )
3.093 1.237 1.237
or
(( segid " A" and resid 165 and name HD2 ))
( segid " A" and resid 167 and name HD1*)
assi
(( segid " A" and resid 179 and name HA ))
(( segid " A" and resid 167 and name HG12))
3.926 1.570 1.570
or
(( segid " A" and resid 179 and name HA ))
( segid " A" and resid 167 and name HD1*)
assi
(( segid " A" and resid 180 and name HB2 ))
( segid " A" and resid 180 and name HD* )
4.474 1.789 1.526
assi
(( segid " A" and resid 25 and name HA ))
( segid " A" and resid 58 and name HG* )
3.432 1.373 1.373
assi
(( segid " A" and resid 52 and name HB ))
( segid " A" and resid 52 and name HG* )
3.249 1.300 1.300
assi
(( segid " A" and resid 180 and name HA ))
( segid " A" and resid 180 and name HD* )
3.479 1.392 1.392
assi
( segid " A" and resid 1 and name HE* )
(( segid " A" and resid 49 and name H ))
3.272 1.309 1.309
or
( segid " A" and resid 1 and name HE* )
( segid " A" and resid 49 and name HD* )
assi
(( segid " A" and resid 162 and name HA ))
( segid " A" and resid 162 and name HD1*)
3.848 1.539 1.539
or
(( segid " A" and resid 162 and name HA ))
( segid " A" and resid 162 and name HG2*)
assi
(( segid " A" and resid 167 and name HB ))
( segid " A" and resid 167 and name HG2*)
2.822 1.102 1.129
or
(( segid " A" and resid 167 and name HB ))
( segid " A" and resid 167 and name HD1*)
assi
(( segid " A" and resid 180 and name HB3 ))
( segid " A" and resid 180 and name HD* )
4.494 1.797 1.506
assi
(( segid " A" and resid 11 and name HA ))
( segid " A" and resid 73 and name HE* )
3.600 1.440 1.440
or
(( segid " A" and resid 8 and name HA ))
( segid " A" and resid 73 and name HE* )
assi
( segid " A" and resid 55 and name HB* )
( segid " A" and resid 52 and name HG2*)
2.813 1.093 1.125
or
( segid " A" and resid 63 and name HB* )
( segid " A" and resid 52 and name HG2*)
assi
(( segid " A" and resid 41 and name HA ))
( segid " A" and resid 42 and name HG2*)
3.573 1.429 1.429
or
(( segid " A" and resid 2 and name HA ))
( segid " A" and resid 42 and name HG2*)
assi
( segid " A" and resid 42 and name HG2*)
(( segid " A" and resid 42 and name H ))
3.568 1.427 1.427
or
(( segid " A" and resid 43 and name H ))
( segid " A" and resid 42 and name HG2*)
assi
(( segid " A" and resid 47 and name HE2 ))
( segid " A" and resid 31 and name HD1*)
3.869 1.548 1.548
or
(( segid " A" and resid 26 and name HA ))
( segid " A" and resid 31 and name HD1*)
assi
(( segid " A" and resid 22 and name H ))
( segid " A" and resid 21 and name HG1*)
3.038 1.215 1.215
or
( segid " A" and resid 17 and name HD* )
( segid " A" and resid 21 and name HG1*)
assi
( segid " A" and resid 69 and name HE* )
( segid " A" and resid 66 and name HD1*)
3.077 1.231 1.231
or
(( segid " A" and resid 66 and name HB ))
( segid " A" and resid 66 and name HD1*)
assi
(( segid " A" and resid 55 and name H ))
( segid " A" and resid 66 and name HD1*)
3.781 1.512 1.512
or
(( segid " A" and resid 67 and name H ))
( segid " A" and resid 66 and name HD1*)
assi
(( segid " A" and resid 62 and name H ))
( segid " A" and resid 66 and name HD1*)
4.100 1.640 1.640
or
(( segid " A" and resid 63 and name H ))
( segid " A" and resid 66 and name HD1*)
assi
(( segid " A" and resid 160 and name H ))
( segid " A" and resid 160 and name HG2*)
3.109 1.244 1.244
or
(( segid " A" and resid 184 and name H ))
( segid " A" and resid 160 and name HG2*)
assi
( segid " A" and resid 17 and name HD* )
( segid " A" and resid 21 and name HG2*)
3.357 1.343 1.343
or
(( segid " A" and resid 22 and name H ))
( segid " A" and resid 21 and name HG2*)
assi
(( segid " A" and resid 162 and name HG13))
( segid " A" and resid 162 and name HG2*)
2.804 1.084 1.122
or
( segid " A" and resid 160 and name HG2*)
( segid " A" and resid 162 and name HG2*)
assi
( segid " A" and resid 57 and name HB* )
( segid " A" and resid 58 and name HG1*)
2.749 1.029 1.100
or
(( segid " A" and resid 21 and name HB ))
( segid " A" and resid 58 and name HG1*)
assi
( segid " A" and resid 150 and name HG1*)
( segid " A" and resid 150 and name HD1*)
3.253 1.301 1.301
assi
( segid " A" and resid 121 and name HG* )
( segid " A" and resid 132 and name HG2*)
3.491 1.396 1.396
assi
(( segid " A" and resid 125 and name HA ))
( segid " A" and resid 125 and name HB* )
2.555 0.835 1.022
or
(( segid " A" and resid 130 and name HA2 ))
( segid " A" and resid 125 and name HB* )
assi
(( segid " A" and resid 30 and name HA ))
( segid " A" and resid 29 and name HB* )
3.386 1.355 1.355
or
(( segid " A" and resid 51 and name HA ))
( segid " A" and resid 29 and name HB* )
assi
( segid " A" and resid 29 and name HB* )
(( segid " A" and resid 27 and name H ))
3.248 1.299 1.299
or
(( segid " A" and resid 51 and name H ))
( segid " A" and resid 29 and name HB* )
assi
(( segid " A" and resid 52 and name H ))
( segid " A" and resid 29 and name HB* )
3.095 1.238 1.238
or
(( segid " A" and resid 31 and name H ))
( segid " A" and resid 29 and name HB* )
assi
( segid " A" and resid 145 and name HD1*)
( segid " A" and resid 142 and name HD2*)
3.340 1.336 1.336
or
( segid " A" and resid 145 and name HD1*)
( segid " A" and resid 145 and name HG2*)
assi
(( segid " A" and resid 132 and name HA ))
( segid " A" and resid 132 and name HD1*)
3.073 1.229 1.229
or
(( segid " A" and resid 180 and name HA ))
( segid " A" and resid 132 and name HD1*)
assi
( segid " A" and resid 69 and name HE* )
( segid " A" and resid 66 and name HG2*)
2.238 0.518 0.895
or
( segid " A" and resid 69 and name HE* )
( segid " A" and resid 61 and name HD2*)
assi
(( segid " A" and resid 65 and name HA ))
( segid " A" and resid 69 and name HE* )
2.953 1.181 1.181
or
(( segid " A" and resid 69 and name HA ))
( segid " A" and resid 69 and name HE* )
assi
( segid " A" and resid 149 and name HD1*)
(( segid " A" and resid 150 and name H ))
3.890 1.556 1.556
or
(( segid " A" and resid 149 and name H ))
( segid " A" and resid 149 and name HD1*)
assi
( segid " A" and resid 149 and name HG2*)
(( segid " A" and resid 150 and name H ))
3.581 1.432 1.432
or
(( segid " A" and resid 149 and name H ))
( segid " A" and resid 149 and name HG2*)
assi
( segid " A" and resid 70 and name HE* )
( segid " A" and resid 149 and name HD1*)
3.477 1.391 1.391
or
( segid " A" and resid 74 and name HD* )
( segid " A" and resid 149 and name HD1*)
assi
( segid " A" and resid 40 and name HB* )
( segid " A" and resid 39 and name HG2*)
3.845 1.538 1.538
assi
(( segid " A" and resid 52 and name H ))
( segid " A" and resid 52 and name HG2*)
2.968 1.187 1.187
or
(( segid " A" and resid 53 and name H ))
( segid " A" and resid 52 and name HG2*)
assi
( segid " A" and resid 53 and name HB* )
( segid " A" and resid 52 and name HG* )
3.002 1.201 1.201
assi
(( segid " A" and resid 53 and name HA ))
( segid " A" and resid 53 and name HB* )
2.461 0.741 0.984
or
(( segid " A" and resid 54 and name HA ))
( segid " A" and resid 53 and name HB* )
assi
(( segid " A" and resid 54 and name H ))
( segid " A" and resid 53 and name HB* )
2.437 0.717 0.975
or
(( segid " A" and resid 53 and name H ))
( segid " A" and resid 53 and name HB* )
assi
(( segid " A" and resid 54 and name H ))
( segid " A" and resid 54 and name HB* )
3.038 1.215 1.215
or
(( segid " A" and resid 53 and name H ))
( segid " A" and resid 54 and name HB* )
assi
(( segid " A" and resid 66 and name HB ))
( segid " A" and resid 59 and name HD1*)
3.727 1.491 1.491
or
( segid " A" and resid 69 and name HE* )
( segid " A" and resid 59 and name HD1*)
assi
(( segid " A" and resid 66 and name HG13))
( segid " A" and resid 61 and name HD1*)
2.429 0.709 0.972
or
(( segid " A" and resid 61 and name HG ))
( segid " A" and resid 61 and name HD1*)
assi
(( segid " A" and resid 66 and name HG13))
( segid " A" and resid 61 and name HD2*)
2.930 1.172 1.172
or
(( segid " A" and resid 61 and name HG ))
( segid " A" and resid 61 and name HD2*)
assi
(( segid " A" and resid 66 and name HB ))
( segid " A" and resid 66 and name HG2*)
2.781 1.061 1.112
or
( segid " A" and resid 69 and name HE* )
( segid " A" and resid 66 and name HG2*)
assi
( segid " A" and resid 55 and name HB* )
( segid " A" and resid 66 and name HG2*)
2.669 0.949 1.068
or
( segid " A" and resid 63 and name HB* )
( segid " A" and resid 66 and name HG2*)
assi
( segid " A" and resid 142 and name HD2*)
( segid " A" and resid 67 and name HD1*)
3.407 1.363 1.363
or
( segid " A" and resid 145 and name HG2*)
( segid " A" and resid 67 and name HD1*)
assi
( segid " A" and resid 142 and name HD* )
( segid " A" and resid 67 and name HD2*)
3.268 1.307 1.307
or
( segid " A" and resid 145 and name HG2*)
( segid " A" and resid 67 and name HD2*)
assi
(( segid " A" and resid 121 and name HB3 ))
( segid " A" and resid 98 and name HD1*)
4.022 1.609 1.609
or
(( segid " A" and resid 133 and name HG ))
( segid " A" and resid 98 and name HD1*)
assi
( segid " A" and resid 131 and name HD* )
( segid " A" and resid 125 and name HB* )
2.879 1.152 1.152
or
( segid " A" and resid 180 and name HD1*)
( segid " A" and resid 125 and name HB* )
assi
( segid " A" and resid 142 and name HD1*)
( segid " A" and resid 67 and name HD2*)
2.955 1.182 1.182
or
( segid " A" and resid 142 and name HD1*)
( segid " A" and resid 48 and name HG2*)
assi
( segid " A" and resid 149 and name HD1*)
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3.276 1.310 1.310
or
( segid " A" and resid 149 and name HD1*)
( segid " A" and resid 145 and name HG2*)
assi
( segid " A" and resid 150 and name HG1*)
( segid " A" and resid 150 and name HG2*)
3.334 1.334 1.334
assi
( segid " A" and resid 167 and name HD1*)
(( segid " A" and resid 133 and name H ))
3.856 1.542 1.542
or
(( segid " A" and resid 180 and name H ))
( segid " A" and resid 167 and name HD1*)
assi
(( segid " A" and resid 132 and name HA ))
( segid " A" and resid 167 and name HD1*)
3.586 1.434 1.434
or
(( segid " A" and resid 178 and name HA ))
( segid " A" and resid 167 and name HD1*)
or
(( segid " A" and resid 180 and name HA ))
( segid " A" and resid 167 and name HD1*)
assi
(( segid " A" and resid 180 and name HG ))
( segid " A" and resid 180 and name HD1*)
2.568 0.848 1.027
or
(( segid " A" and resid 180 and name HB2 ))
( segid " A" and resid 180 and name HD1*)
assi
( segid " A" and resid 29 and name HB* )
( segid " A" and resid 9 and name HD1*)
3.774 1.510 1.510
or
( segid " A" and resid 39 and name HG1*)
( segid " A" and resid 9 and name HD1*)
assi
( segid " A" and resid 139 and name HG* )
( segid " A" and resid 142 and name HD2*)
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assi
( segid " A" and resid 49 and name HD* )
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or
(( segid " A" and resid 49 and name H ))
( segid " A" and resid 48 and name HG2*)
assi
( segid " A" and resid 37 and name HD* )
( segid " A" and resid 51 and name HD1*)
4.065 1.626 1.626
or
(( segid " A" and resid 22 and name HE3 ))
( segid " A" and resid 51 and name HD1*)
assi
( segid " A" and resid 55 and name HB* )
( segid " A" and resid 51 and name HD1*)
3.196 1.278 1.278
or
(( segid " A" and resid 26 and name HB2 ))
( segid " A" and resid 51 and name HD1*)
assi
(( segid " A" and resid 57 and name H ))
( segid " A" and resid 66 and name HD1*)
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or
(( segid " A" and resid 65 and name H ))
( segid " A" and resid 66 and name HD1*)
assi
( segid " A" and resid 20 and name HB* )
(( segid " A" and resid 20 and name H ))
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assi
( segid " A" and resid 19 and name HG* )
(( segid " A" and resid 21 and name H ))
3.456 1.382 1.382
or
(( segid " A" and resid 19 and name HB3 ))
(( segid " A" and resid 21 and name H ))
assi
( segid " A" and resid 23 and name HB* )
(( segid " A" and resid 22 and name H ))
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assi
( segid " A" and resid 20 and name HB* )
(( segid " A" and resid 22 and name H ))
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assi
( segid " A" and resid 23 and name HG* )
(( segid " A" and resid 23 and name H ))
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assi
( segid " A" and resid 23 and name HG* )
(( segid " A" and resid 24 and name H ))
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assi
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(( segid " A" and resid 24 and name H ))
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assi
( segid " A" and resid 27 and name HB* )
(( segid " A" and resid 26 and name H ))
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assi
( segid " A" and resid 93 and name HB* )
(( segid " A" and resid 97 and name H ))
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or
(( segid " A" and resid 94 and name HA ))
(( segid " A" and resid 97 and name H ))
assi
( segid " A" and resid 27 and name HE* )
(( segid " A" and resid 27 and name H ))
4.038 1.615 1.615
assi
( segid " A" and resid 27 and name HB* )
(( segid " A" and resid 27 and name H ))
2.508 0.788 1.003
assi
( segid " A" and resid 27 and name HD* )
(( segid " A" and resid 27 and name H ))
3.287 1.315 1.315
assi
(( segid " A" and resid 41 and name H ))
(( segid " A" and resid 38 and name H ))
3.561 1.424 1.424
or
( segid " A" and resid 43 and name HE* )
(( segid " A" and resid 38 and name H ))
assi
(( segid " A" and resid 64 and name HA3 ))
(( segid " A" and resid 67 and name H ))
3.283 1.313 1.313
or
(( segid " A" and resid 66 and name HA ))
(( segid " A" and resid 67 and name H ))
assi
(( segid " A" and resid 131 and name HA ))
(( segid " A" and resid 131 and name H ))
3.212 1.285 1.285
or
(( segid " A" and resid 181 and name HA ))
(( segid " A" and resid 131 and name H ))
assi
(( segid " A" and resid 180 and name HG ))
(( segid " A" and resid 131 and name H ))
3.687 1.475 1.475
or
(( segid " A" and resid 132 and name HG13))
(( segid " A" and resid 131 and name H ))
assi
(( segid " A" and resid 180 and name HA ))
(( segid " A" and resid 131 and name H ))
3.546 1.419 1.419
or
(( segid " A" and resid 132 and name HA ))
(( segid " A" and resid 131 and name H ))
assi
(( segid " A" and resid 123 and name H ))
(( segid " A" and resid 132 and name H ))
3.586 1.435 1.435
or
(( segid " A" and resid 181 and name H ))
(( segid " A" and resid 132 and name H ))
assi
(( segid " A" and resid 130 and name HA2 ))
(( segid " A" and resid 132 and name H ))
3.626 1.450 1.450
or
(( segid " A" and resid 125 and name HA ))
(( segid " A" and resid 132 and name H ))
assi
( segid " A" and resid 121 and name HD* )
(( segid " A" and resid 122 and name H ))
3.758 1.503 1.503
assi
( segid " A" and resid 121 and name HG* )
(( segid " A" and resid 122 and name H ))
3.445 1.378 1.378
assi
(( segid " A" and resid 181 and name H ))
(( segid " A" and resid 133 and name H ))
4.175 1.670 1.670
or
(( segid " A" and resid 123 and name H ))
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assi
(( segid " A" and resid 180 and name HA ))
(( segid " A" and resid 133 and name H ))
3.166 1.266 1.266
or
(( segid " A" and resid 132 and name HA ))
(( segid " A" and resid 133 and name H ))
assi
(( segid " A" and resid 150 and name H ))
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3.737 1.495 1.495
or
(( segid " A" and resid 149 and name H ))
(( segid " A" and resid 148 and name H ))
assi
(( segid " A" and resid 182 and name H ))
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or
(( segid " A" and resid 165 and name H ))
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assi
(( segid " A" and resid 177 and name HB ))
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3.847 1.539 1.539
or
(( segid " A" and resid 166 and name HA ))
(( segid " A" and resid 178 and name H ))
assi
(( segid " A" and resid 180 and name H ))
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or
(( segid " A" and resid 179 and name H ))
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assi
(( segid " A" and resid 180 and name HG ))
(( segid " A" and resid 180 and name H ))
3.230 1.292 1.292
or
(( segid " A" and resid 180 and name HB2 ))
(( segid " A" and resid 180 and name H ))
assi
(( segid " A" and resid 165 and name HG3 ))
(( segid " A" and resid 180 and name H ))
3.615 1.446 1.446
or
(( segid " A" and resid 167 and name HG13))
(( segid " A" and resid 180 and name H ))
assi
(( segid " A" and resid 132 and name HA ))
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3.265 1.306 1.306
or
(( segid " A" and resid 180 and name HA ))
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assi
(( segid " A" and resid 181 and name HA ))
(( segid " A" and resid 181 and name H ))
4.000 1.600 1.600
or
(( segid " A" and resid 131 and name HA ))
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assi
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(( segid " A" and resid 169 and name HE22))
3.087 1.235 1.235
assi
(( segid " A" and resid 168 and name H ))
(( segid " A" and resid 180 and name H ))
4.827 1.931 1.173
assi
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name H ))
3.081 1.233 1.233
assi
(( segid " A" and resid 165 and name H ))
(( segid " A" and resid 180 and name H ))
3.898 1.559 1.559
assi
(( segid " A" and resid 171 and name HD22))
(( segid " A" and resid 171 and name HB3 ))
3.109 1.244 1.244
assi
(( segid " A" and resid 68 and name H ))
( segid " A" and resid 67 and name HD2*)
4.100 1.640 1.640
assi
(( segid " A" and resid 167 and name H ))
(( segid " A" and resid 180 and name H ))
4.454 1.782 1.546
assi
(( segid " A" and resid 97 and name H ))
(( segid " A" and resid 93 and name H ))
3.950 1.580 1.580
# Restraints file 2: 5_6.tbl
assi
(( segid " A" and resid 135 and name HH ))
(( segid " B" and resid 1 and name OAC ))
2.200 0.470 0.800
assi
(( segid " B" and resid 1 and name OAC ))
(( segid " A" and resid 137 and name HG ))
2.200 0.470 0.800
assi
(( segid " A" and resid 139 and name HH12))
(( segid " B" and resid 1 and name OAA ))
2.200 0.470 0.800
assi
(( segid " A" and resid 139 and name HH21))
(( segid " B" and resid 1 and name OAB ))
2.200 0.470 0.800
assi
(( segid " A" and resid 2 and name HN ))
(( segid " B" and resid 1 and name OAD ))
2.200 0.470 0.800
assi
(( segid " A" and resid 139 and name NH1 ))
(( segid " B" and resid 1 and name OAA ))
3.200 0.684 1.164
assi
(( segid " A" and resid 139 and name NH2 ))
(( segid " B" and resid 1 and name OAB ))
3.200 0.684 1.164
assi
(( segid " A" and resid 2 and name N ))
(( segid " B" and resid 1 and name OAD ))
3.200 0.684 1.164
assi
(( segid " A" and resid 137 and name OG ))
(( segid " B" and resid 1 and name OAC ))
3.200 0.684 1.164
assi
(( segid " B" and resid 1 and name OAC ))
(( segid " A" and resid 135 and name OH ))
3.200 0.684 1.164