NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
610356 |
5t1n   |
30158 | cing | 1-original | 7 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 7: NOE_HHC.tbl ! 1 ! 2 ! 3 assign (resid 3 and name HG## ) (resid 4 and name HE# ) 3.5 1.5 1.5 ! A.375 at 1.32e+05 assign (resid 3 and name HB ) (resid 67 and name HB# ) 4.0 2.2 1.5 ! A.376 at 6.48e+04 assign (resid 3 and name HG## ) (resid 68 and name HA ) 4.0 2.2 1.5 ! A.205 at 3.01e+04 assign (resid 3 and name HG## ) (resid 72 and name HG# ) 4.0 2.2 1.5 ! A.188 at 5.28e+04 assign (resid 3 and name HG## ) (resid 72 and name HG# ) 3.0 1.2 0.8 ! A.187 at 8.64e+04 assign (resid 3 and name HG## ) (resid 73 and name HG# ) 4.0 2.2 1.5 ! A.173 at 3.57e+04 assign (resid 3 and name HG## ) (resid 73 and name HG# ) 4.0 2.2 1.5 ! A.171 at 4.96e+04 assign (resid 3 and name HG## ) (resid 73 and name HG# ) 3.0 1.2 0.8 ! A.172 at 7.68e+04 assign (resid 3 and name HG## ) (resid 73 and name HG# ) 3.0 1.2 0.8 ! A.170 at 8.91e+04 assign (resid 3 and name HG## ) (resid 73 and name HA ) 3.0 1.2 0.8 ! A.168 at 9.14e+04 assign (resid 3 and name HG## ) (resid 73 and name HA ) 2.5 0.7 0.7 ! A.174 at 2.69e+05 ! 4 assign (resid 4 and name HG# ) (resid 4 and name HA ) 3.0 1.2 0.8 ! A.368 at 1.04e+05 assign (resid 4 and name HB# ) (resid 65 and name HG* ) 4.0 2.2 1.5 ! A.373 at 2.92e+04 assign (resid 4 and name HB# ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.372 at 2.23e+04 assign (resid 4 and name HG# ) (resid 66 and name HA ) 3.0 1.2 0.8 ! A.219 at 9.12e+04 assign (resid 4 and name HB# ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.371 at 3.12e+04 assign (resid 4 and name HA ) (resid 66 and name HG# ) 4.0 2.2 1.5 ! A.369 at 6.51e+04 assign (resid 4 and name HB# ) (resid 66 and name HA ) 3.0 1.2 0.8 ! A.222 at 7.19e+04 assign (resid 4 and name HA ) (resid 66 and name HA ) 2.5 0.7 0.2 ! A.366 at 3.12e+05 assign (resid 4 and name HA ) (resid 76 and name HD## ) 4.0 2.2 1.5 ! A.154 at 4.40e+04 assign (resid 4 and name HA ) (resid 76 and name HD## ) 2.5 0.7 0.2 ! A.367 at 2.21e+05 ! 5 assign (resid 5 and name HG# ) (resid 76 and name HD## ) 4.0 2.2 2.0 ! A.157 at 4.69e+04 assign (resid 5 and name HB# ) (resid 76 and name HD## ) 3.0 1.2 0.8 ! A.363 at 1.76e+05 assign (resid 5 and name HG# ) (resid 76 and name HD## ) 2.5 0.7 0.7 ! A.370 at 2.09e+05 assign (resid 5 and name HG# ) (resid 80 and name HD1# ) 3.0 1.2 1.3 ! A.92 at 8.89e+04 ! 6 assign (resid 6 and name HG2# ) (resid 62 and name HG# ) 4.0 2.2 1.5 ! A.12 at 6.67e+04 assign (resid 6 and name HG2# ) (resid 62 and name HB# ) 2.5 0.7 0.7 ! A.11 at 4.23e+05 assign (resid 6 and name HA ) (resid 64 and name HB# ) 4.0 2.2 1.0 ! A.6 at 4.99e+04 assign (resid 6 and name HA ) (resid 64 and name HB# ) 4.0 2.2 1.0 ! A.1 at 6.58e+04 assign (resid 6 and name HG2# ) (resid 64 and name HA ) 3.0 1.2 0.8 ! A.226 at 7.38e+04 assign (resid 6 and name HA ) (resid 64 and name HA ) 3.0 1.2 0.3 ! A.225 at 1.61e+05 assign (resid 6 and name HG2# ) (resid 64 and name HB# ) 2.5 0.7 0.7 ! A.362 at 3.44e+05 ! 7 assign (resid 7 and name HG## ) (resid 7 and name HA ) 2.5 0.7 0.2 ! A.14 at 2.81e+05 assign (resid 7 and name HB ) (resid 9 and name HD1# ) 4.0 2.2 1.5 ! A.358 at 2.05e+04 assign (resid 7 and name HG## ) (resid 64 and name HA ) 4.0 2.2 1.0 ! A.227 at 5.38e+04 assign (resid 7 and name HA ) (resid 80 and name HD1# ) 4.0 2.2 1.5 ! A.356 at 2.61e+04 assign (resid 7 and name HB ) (resid 80 and name HD1# ) 4.0 2.2 1.5 ! A.357 at 5.61e+04 assign (resid 7 and name HG## ) (resid 83 and name HB# ) 4.0 2.2 1.0 ! A.136 at 3.09e+04 assign (resid 7 and name HG## ) (resid 83 and name HB# ) 4.0 2.2 1.0 ! A.135 at 3.85e+04 assign (resid 7 and name HG## ) (resid 83 and name HD# ) 3.0 1.2 0.8 ! A.45 at 7.23e+04 assign (resid 7 and name HG## ) (resid 83 and name HE# ) 3.0 1.2 0.8 ! A.46 at 8.49e+04 assign (resid 7 and name HG## ) (resid 83 and name HZ ) 4.0 1.5 1.5 ! A.54 at 8.96e+04 ! 8 ! 9 assign (resid 9 and name HD1# ) (resid 9 and name HB ) 4.0 2.2 1.5 ! A.350 at 5.30e+04 assign (resid 9 and name HA ) (resid 9 and name HD1# ) 4.0 2.2 1.5 ! A.98 at 6.24e+04 assign (resid 9 and name HG1# ) (resid 9 and name HA ) 3.0 1.2 0.8 ! A.349 at 1.28e+05 assign (resid 9 and name HG2# ) (resid 9 and name HA ) 2.5 0.7 0.7 ! A.348 at 2.61e+05 assign (resid 9 and name HG2# ) (resid 12 and name HA ) 4.0 2.2 1.5 ! A.342 at 5.33e+04 assign (resid 9 and name HD1# ) (resid 13 and name HB# ) 3.0 1.2 1.3 ! A.99 at 8.13e+04 assign (resid 9 and name HB ) (resid 58 and name HB# ) 4.0 2.2 1.5 ! A.351 at 3.77e+04 assign (resid 9 and name HD1# ) (resid 58 and name HB# ) 3.0 1.2 1.3 ! A.100 at 7.77e+04 assign (resid 9 and name HB ) (resid 59 and name HA ) 4.0 2.2 1.0 ! A.352 at 2.51e+04 assign (resid 9 and name HG2# ) (resid 62 and name HA ) 4.0 2.2 1.5 ! A.236 at 2.72e+04 assign (resid 9 and name HG1# ) (resid 62 and name HA ) 4.0 2.2 1.5 ! A.235 at 6.52e+04 assign (resid 9 and name HG2# ) (resid 83 and name HD# ) 4.0 2.2 2.0 ! A.355 at 1.73e+04 assign (resid 9 and name HD1# ) (resid 83 and name HB# ) 4.0 2.2 1.5 ! A.44 at 2.25e+04 assign (resid 9 and name HD1# ) (resid 83 and name HE# ) 4.0 2.2 2.0 ! A.94 at 2.38e+04 assign (resid 9 and name HG2# ) (resid 83 and name HE# ) 4.0 2.2 2.0 ! A.354 at 2.74e+04 assign (resid 9 and name HD1# ) (resid 83 and name HB# ) 4.0 2.2 1.5 ! A.41 at 2.95e+04 assign (resid 9 and name HD1# ) (resid 83 and name HD# ) 4.0 2.2 2.0 ! A.93 at 3.49e+04 ! 10 assign (resid 10 and name HG2# ) (resid 10 and name HA ) 3.0 1.2 0.8 ! A.346 at 8.08e+04 ! 11 ! 12 ! 13 assign (resid 13 and name HD## ) (resid 36 and name HA ) 4.5 1.4 1.4 ! A.338 at 1.35e+05 assign (resid 13 and name HD## ) (resid 83 and name HD# ) 4.0 2.2 1.5 ! A.337 at 6.42e+04 assign (resid 13 and name HD## ) (resid 83 and name HE# ) 3.0 1.2 0.8 ! A.336 at 1.12e+05 assign (resid 13 and name HD## ) (resid 83 and name HZ ) 3.0 1.2 0.3 ! A.335 at 1.21e+05 ! 14 ! 15 !assign (resid 15 and name HA ) (resid 52 and name HD## ) 4.0 2.2 1.0 ! A.334 at 6.35e+04 ! 16 assign (resid 16 and name HB# ) (resid 19 and name HD# ) 4.0 2.2 1.5 ! A.106 at 4.44e+04 assign (resid 16 and name HB# ) (resid 19 and name HD# ) 4.0 2.2 1.5 ! A.327 at 4.73e+04 ! 17 assign (resid 17 and name HA ) (resid 19 and name HD# ) 4.0 2.2 1.5 ! A.105 at 2.39e+04 assign (resid 17 and name HB# ) (resid 19 and name HD# ) 4.0 2.2 2.0 ! A.29 at 4.27e+04 assign (resid 17 and name HA ) (resid 20 and name HB# ) 3.0 1.2 0.8 ! A.326 at 8.04e+04 assign (resid 17 and name HB# ) (resid 21 and name HG# ) 4.0 2.2 1.5 ! A.322 at 4.24e+04 assign (resid 17 and name HB# ) (resid 21 and name HG# ) 4.0 2.2 1.5 ! A.320 at 5.25e+04 ! 18 ! 19 assign (resid 19 and name HD# ) (resid 19 and name HB# ) 4.0 2.2 1.5 ! A.104 at 4.54e+04 assign (resid 19 and name HA ) (resid 78 and name HB# ) 4.5 2.2 1.5 ! A.27 at 3.53e+04 ! 20 assign (resid 20 and name HA ) (resid 23 and name HB# ) 4.0 2.2 1.0 ! A.88 at 6.60e+04 assign (resid 20 and name HB# ) (resid 24 and name HE# ) 4.0 2.2 2.0 ! A.71 at 4.16e+04 assign (resid 20 and name HB# ) (resid 24 and name HD# ) 4.0 2.2 2.0 ! A.70 at 4.87e+04 assign (resid 20 and name HA ) (resid 52 and name HD## ) 3.0 1.2 0.3 ! A.324 at 1.39e+05 ! 21 assign (resid 21 and name HA ) (resid 24 and name HD# ) 4.0 2.2 1.5 ! A.316 at 2.45e+04 assign (resid 21 and name HA ) (resid 24 and name HB# ) 3.0 1.2 0.8 ! A.53 at 8.20e+04 assign (resid 21 and name HG# ) (resid 52 and name HB# ) 4.0 2.2 1.5 ! A.323 at 2.71e+04 assign (resid 21 and name HG# ) (resid 52 and name HB# ) 4.0 2.2 1.5 ! A.321 at 3.95e+04 assign (resid 21 and name HG# ) (resid 52 and name HD## ) 3.0 1.2 0.3 ! A.318 at 7.77e+04 assign (resid 21 and name HG# ) (resid 52 and name HD## ) 3.0 1.2 0.3 ! A.319 at 7.94e+04 ! 22 assign (resid 22 and name HA ) (resid 25 and name HB# ) 2.5 0.7 0.7 ! A.314 at 3.64e+05 ! 23 assign (resid 23 and name HD## ) (resid 23 and name HA ) 2.5 0.7 0.2 ! A.111 at 3.78e+05 assign (resid 23 and name HD## ) (resid 24 and name HE# ) 4.0 2.2 2.0 ! A.84 at 1.72e+04 assign (resid 23 and name HA ) (resid 24 and name HD# ) 4.0 2.2 1.5 ! A.116 at 1.77e+04 assign (resid 23 and name HD## ) (resid 24 and name HD# ) 4.0 2.2 2.0 ! A.83 at 3.49e+04 assign (resid 23 and name HA ) (resid 26 and name HB# ) 3.0 1.2 0.8 ! A.86 at 8.48e+04 assign (resid 23 and name HA ) (resid 34 and name HG## ) 3.5 1.2 1.2 ! A.112 at 1.35e+05 assign (resid 23 and name HD## ) (resid 83 and name HE# ) 4.0 2.2 2.0 ! A.82 at 5.93e+04 assign (resid 23 and name HD## ) (resid 83 and name HZ ) 3.0 1.2 0.8 ! A.81 at 7.99e+04 assign (resid 23 and name HD## ) (resid 83 and name HZ ) 3.0 1.2 0.8 ! A.18 at 8.17e+04 ! 24 assign (resid 24 and name HD# ) (resid 24 and name HA ) 3.0 1.2 0.8 ! A.118 at 1.25e+05 assign (resid 24 and name HD# ) (resid 24 and name HB# ) 3.0 1.2 1.3 ! A.39 at 1.77e+05 assign (resid 24 and name HA ) (resid 27 and name HB# ) 4.0 2.2 1.5 ! A.312 at 5.44e+04 assign (resid 24 and name HE# ) (resid 46 and name HB# ) 4.0 2.2 2.0 ! A.265 at 4.35e+04 assign (resid 24 and name HD# ) (resid 46 and name HB# ) 4.0 2.2 2.0 ! A.266 at 4.55e+04 assign (resid 24 and name HA ) (resid 47 and name HB# ) 4.5 2.2 1.2 ! A.313 at 2.33e+04 assign (resid 24 and name HD# ) (resid 47 and name HA ) 4.0 2.2 1.5 ! A.262 at 3.80e+04 assign (resid 24 and name HZ ) (resid 49 and name HG## ) 4.0 2.2 1.5 ! A.126 at 2.59e+04 assign (resid 24 and name HD# ) (resid 49 and name HG## ) 4.0 2.2 2.0 ! A.125 at 2.80e+04 assign (resid 24 and name HZ ) (resid 49 and name HA ) 4.0 2.2 1.0 ! A.121 at 3.72e+04 assign (resid 24 and name HD# ) (resid 52 and name HD## ) 4.0 2.2 2.0 ! A.115 at 5.66e+04 assign (resid 24 and name HD# ) (resid 52 and name HD## ) 4.0 2.2 2.0 ! A.74 at 6.83e+04 ! 25 ! 26 assign (resid 26 and name HD## ) (resid 26 and name HA ) 2.5 0.7 0.2 ! A.311 at 4.58e+05 assign (resid 26 and name HD## ) (resid 27 and name HA ) 4.0 2.2 1.5 ! A.310 at 5.21e+04 assign (resid 26 and name HB# ) (resid 30 and name HE# ) 4.0 2.2 2.0 ! A.87 at 2.39e+04 assign (resid 26 and name HD## ) (resid 30 and name HD# ) 3.0 1.2 0.8 ! A.85 at 7.71e+04 ! 27 assign (resid 27 and name HA ) (resid 30 and name HD# ) 3.7 1.2 1.2 ! A.309 at 8.21e+04 ! 28 assign (resid 28 and name HG# ) (resid 28 and name HA ) 3.0 1.2 0.8 ! A.308 at 1.83e+05 ! 29 ! 30 assign (resid 30 and name HD# ) (resid 30 and name HB# ) 3.0 1.2 1.3 ! A.36 at 9.92e+04 assign (resid 30 and name HD# ) (resid 30 and name HA ) 3.0 1.2 0.8 ! A.306 at 1.63e+05 assign (resid 30 and name HA ) (resid 71 and name HB# ) 4.0 2.2 1.0 ! A.304 at 2.54e+04 assign (resid 30 and name HD# ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.194 at 3.50e+04 assign (resid 30 and name HB# ) (resid 71 and name HB# ) 4.0 2.2 2.0 ! A.38 at 3.67e+04 assign (resid 30 and name HD# ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.193 at 3.96e+04 assign (resid 30 and name HA ) (resid 71 and name HG# ) 4.0 2.2 1.5 ! A.301 at 4.38e+04 assign (resid 30 and name HD# ) (resid 74 and name HG# ) 4.0 2.2 1.5 ! A.163 at 2.84e+04 assign (resid 30 and name HD# ) (resid 74 and name HG# ) 4.0 2.2 1.5 ! A.164 at 2.96e+04 assign (resid 30 and name HD# ) (resid 74 and name HB# ) 3.0 1.2 1.3 ! A.162 at 1.31e+05 assign (resid 30 and name HA ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.305 at 2.60e+04 assign (resid 30 and name HB# ) (resid 75 and name HB# ) 3.0 1.2 1.3 ! A.37 at 7.34e+04 assign (resid 30 and name HE# ) (resid 75 and name HB# ) 3.0 1.2 1.3 ! A.67 at 8.10e+04 assign (resid 30 and name HE# ) (resid 75 and name HA ) 3.0 1.2 0.8 ! A.65 at 8.24e+04 assign (resid 30 and name HZ ) (resid 78 and name HB# ) 2.5 0.7 0.7 ! A.78 at 3.22e+05 ! 31 assign (resid 31 and name HB# ) (resid 70 and name HB# ) 4.0 2.2 1.5 ! A.196 at 3.26e+04 ! 32 assign (resid 32 and name HB# ) (resid 67 and name HA ) 4.0 2.2 1.5 ! A.298 at 3.91e+04 assign (resid 32 and name HB# ) (resid 69 and name HA# ) 4.0 2.2 1.5 ! A.200 at 5.22e+04 assign (resid 32 and name HA ) (resid 72 and name HB# ) 4.0 2.2 1.0 ! A.297 at 3.47e+04 assign (resid 32 and name HB# ) (resid 72 and name HA ) 2.5 0.7 0.7 ! A.180 at 2.79e+05 ! 33 assign (resid 33 and name HB# ) (resid 68 and name HB ) 3.0 1.2 0.3 ! A.209 at 8.36e+04 ! 34 assign (resid 34 and name HA ) (resid 34 and name HG## ) 3.0 1.2 0.8 ! A.48 at 1.12e+05 assign (resid 34 and name HG## ) (resid 34 and name HA ) 2.5 0.7 0.2 ! A.292 at 5.35e+05 assign (resid 34 and name HA ) (resid 46 and name HB# ) 4.0 2.2 1.5 ! A.294 at 2.44e+04 assign (resid 34 and name HB ) (resid 46 and name HB# ) 3.0 1.2 0.8 ! A.295 at 1.83e+05 assign (resid 34 and name HB ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.214 at 4.39e+04 assign (resid 34 and name HA ) (resid 67 and name HB# ) 3.0 1.2 0.8 ! A.291 at 9.20e+04 assign (resid 34 and name HG## ) (resid 67 and name HA ) 3.0 1.2 0.8 ! A.47 at 1.06e+05 assign (resid 34 and name HA ) (resid 67 and name HA ) 2.5 0.7 0.2 ! A.290 at 3.45e+05 assign (resid 34 and name HG## ) (resid 67 and name HA ) 3.0 1.2 0.3 ! A.215 at 1.83e+05 ! 35 assign (resid 35 and name HD## ) (resid 35 and name HA ) 3.0 1.2 0.3 ! A.289 at 1.95e+05 assign (resid 35 and name HD## ) (resid 37 and name HB# ) 4.0 2.2 1.0 ! A.284 at 2.83e+04 assign (resid 35 and name HD## ) (resid 37 and name HB# ) 4.0 2.2 1.0 ! A.285 at 2.95e+04 ! 36 assign (resid 36 and name HD## ) (resid 36 and name HA ) 3.0 1.2 0.8 ! A.287 at 1.22e+05 assign (resid 36 and name HD## ) (resid 36 and name HA ) 2.5 0.7 0.7 ! A.286 at 3.36e+05 assign (resid 36 and name HD## ) (resid 46 and name HA ) 4.0 2.2 1.5 ! A.19 at 6.81e+04 assign (resid 36 and name HD## ) (resid 46 and name HA ) 2.5 0.7 0.7 ! A.263 at 2.38e+05 assign (resid 36 and name HA ) (resid 63 and name HG1# ) 4.0 2.2 1.5 ! A.341 at 2.48e+04 assign (resid 36 and name HD## ) (resid 83 and name HZ ) 4.0 2.2 1.5 ! A.22 at 2.99e+04 assign (resid 36 and name HD## ) (resid 83 and name HD# ) 4.0 2.2 2.0 ! A.21 at 3.69e+04 assign (resid 36 and name HD## ) (resid 83 and name HE# ) 4.0 2.2 2.0 ! A.20 at 3.76e+04 ! 37 assign (resid 37 and name HD# ) (resid 37 and name HB# ) 3.0 1.2 0.8 ! A.281 at 7.14e+04 assign (resid 37 and name HD# ) (resid 37 and name HB# ) 3.0 1.2 0.8 ! A.280 at 7.91e+04 assign (resid 37 and name HG# ) (resid 37 and name HA ) 3.0 1.2 0.3 ! A.279 at 8.80e+04 assign (resid 37 and name HB# ) (resid 64 and name HB# ) 3.0 1.2 0.8 ! A.282 at 7.24e+04 assign (resid 37 and name HB# ) (resid 64 and name HB# ) 3.0 1.2 0.8 ! A.283 at 1.70e+05 ! 38 assign (resid 38 and name HA ) (resid 63 and name HB ) 4.0 2.2 1.0 ! A.278 at 2.23e+04 assign (resid 38 and name HB# ) (resid 63 and name HD1# ) 4.0 2.2 1.5 ! A.230 at 4.12e+04 assign (resid 38 and name HA ) (resid 63 and name HG2# ) 3.0 1.2 0.8 ! A.277 at 9.83e+04 ! 39 ! 40 ! 41 ! 42 assign (resid 42 and name HG2# ) (resid 42 and name HA ) 2.5 0.7 0.7 ! A.273 at 3.04e+05 assign (resid 42 and name HG2# ) (resid 55 and name HB# ) 4.0 1.5 1.5 ! A.274 at 1.85e+05 assign (resid 42 and name HG2# ) (resid 55 and name HD## ) 2.5 0.7 0.7 ! A.275 at 8.03e+05 ! 43 ! 44 assign (resid 44 and name HB# ) (resid 51 and name HA ) 3.0 1.2 0.8 ! A.250 at 1.28e+05 ! 45 !assign (resid 45 and name HB2 ) (resid 48 and name HB# ) 4.0 2.2 1.0 ! A.258 at 2.40e+04 !assign (resid 45 and name HB2 ) (resid 48 and name HB# ) 4.0 2.2 1.0 ! A.256 at 2.96e+04 !assign (resid 45 and name HB1 ) (resid 48 and name HB# ) 4.0 2.2 1.0 ! A.257 at 4.81e+04 ! 46 assign (resid 46 and name HB# ) (resid 47 and name HA ) 4.0 2.2 1.5 ! A.261 at 2.59e+04 ! 47 ! 48 assign (resid 48 and name HB# ) (resid 51 and name HB# ) 4.0 2.2 1.5 ! A.260 at 1.76e+04 assign (resid 48 and name HB# ) (resid 51 and name HB# ) 4.0 2.2 1.5 ! A.259 at 1.99e+04 ! 49 assign (resid 49 and name HG## ) (resid 49 and name HA ) 2.5 0.7 0.2 ! A.255 at 3.95e+05 assign (resid 49 and name HA ) (resid 52 and name HB# ) 4.0 2.2 1.0 ! A.122 at 5.01e+04 assign (resid 49 and name HA ) (resid 52 and name HB# ) 3.0 1.2 0.3 ! A.123 at 1.19e+05 ! 50 assign (resid 50 and name HG2# ) (resid 51 and name HA ) 3.0 1.2 0.8 ! A.251 at 1.19e+05 assign (resid 50 and name HA ) (resid 53 and name HB# ) 4.0 2.2 1.0 ! A.127 at 3.45e+04 assign (resid 50 and name HA ) (resid 53 and name HB# ) 4.0 2.2 1.0 ! A.90 at 4.89e+04 ! 51 assign (resid 51 and name HA ) (resid 54 and name HB# ) 3.0 1.2 0.8 ! A.91 at 7.06e+04 ! 52 assign (resid 52 and name HA ) (resid 55 and name HB# ) 2.5 0.7 0.7 ! A.249 at 3.22e+05 assign (resid 52 and name HD## ) (resid 83 and name HZ ) 4.0 2.2 1.5 ! A.114 at 4.71e+04 assign (resid 52 and name HD## ) (resid 83 and name HE# ) 4.0 2.2 2.0 ! A.75 at 6.49e+04 ! 53 assign (resid 53 and name HD## ) (resid 53 and name HA ) 2.5 0.7 0.2 ! A.248 at 4.43e+05 assign (resid 53 and name HA ) (resid 56 and name HB# ) 3.0 1.2 0.8 ! A.128 at 7.01e+04 ! 54 ! 55 assign (resid 55 and name HA ) (resid 58 and name HB# ) 3.0 1.2 0.8 ! A.97 at 1.00e+05 ! 56 ! 57 ! 58 assign (resid 58 and name HA ) (resid 61 and name HB# ) 4.0 2.2 1.0 ! A.243 at 2.34e+04 assign (resid 58 and name HA ) (resid 61 and name HG# ) 3.0 1.2 0.8 ! A.242 at 7.13e+04 assign (resid 58 and name HA ) (resid 61 and name HD# ) 3.0 1.2 0.8 ! A.240 at 8.24e+04 assign (resid 58 and name HA ) (resid 61 and name HB# ) 3.0 1.2 0.3 ! A.241 at 8.94e+04 ! 59 ! 60 ! 61 assign (resid 61 and name HD# ) (resid 61 and name HB# ) 4.0 2.2 1.5 ! A.239 at 6.88e+04 ! 62 assign (resid 62 and name HG# ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.237 at 6.14e+04 ! 63 assign (resid 63 and name HD1# ) (resid 83 and name HZ ) 4.0 2.2 1.5 ! A.77 at 1.84e+04 assign (resid 63 and name HG2# ) (resid 83 and name HE# ) 4.0 2.2 2.0 ! A.234 at 3.64e+04 ! 64 assign (resid 64 and name HG# ) (resid 64 and name HA ) 2.5 0.7 0.7 ! A.229 at 2.34e+05 ! 65 ! 66 assign (resid 66 and name HA ) (resid 66 and name HG# ) 3.0 1.2 0.8 ! A.224 at 8.52e+04 assign (resid 66 and name HA ) (resid 76 and name HD## ) 3.0 1.2 0.3 ! A.223 at 1.39e+05 ! 67 assign (resid 67 and name HB# ) (resid 72 and name HG# ) 4.0 2.2 1.5 ! A.189 at 2.48e+04 assign (resid 67 and name HB# ) (resid 72 and name HB# ) 3.0 1.2 0.8 ! A.182 at 7.69e+04 assign (resid 67 and name HB# ) (resid 72 and name HA ) 2.5 0.7 0.7 ! A.177 at 2.72e+05 assign (resid 67 and name HB# ) (resid 76 and name HD## ) 2.5 0.7 0.7 ! A.217 at 7.51e+05 ! 68 assign (resid 68 and name HA ) (resid 68 and name HG2# ) 3.0 1.2 0.8 ! A.211 at 1.70e+05 assign (resid 68 and name HG2# ) (resid 69 and name HA# ) 4.0 2.2 1.5 ! A.201 at 3.13e+04 assign (resid 68 and name HA ) (resid 72 and name HG# ) 4.0 2.2 1.0 ! A.206 at 1.77e+04 assign (resid 68 and name HA ) (resid 72 and name HB# ) 4.0 2.2 1.0 ! A.184 at 3.73e+04 assign (resid 68 and name HA ) (resid 72 and name HB# ) 3.0 1.2 0.3 ! A.204 at 1.28e+05 ! 69 assign (resid 69 and name HA# ) (resid 70 and name HG# ) 4.0 2.2 1.5 ! A.202 at 2.02e+04 assign (resid 69 and name HA# ) (resid 70 and name HD# ) 2.5 0.7 0.7 ! A.199 at 2.15e+05 assign (resid 69 and name HA# ) (resid 70 and name HD# ) 3.0 1.2 0.8 ! A.198 at 1.82e+05 ! 70 assign (resid 70 and name HD# ) (resid 70 and name HA ) 4.0 2.2 1.5 ! A.195 at 4.27e+04 ! 71 assign (resid 71 and name HA ) (resid 71 and name HG1 ) 4.0 2.2 1.0 ! A.69 at 3.90e+04 assign (resid 71 and name HA ) (resid 71 and name HG2 ) 4.0 2.2 1.0 ! A.68 at 4.07e+04 ! 72 assign (resid 72 and name HG# ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.175 at 5.05e+04 assign (resid 72 and name HG# ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.176 at 5.20e+04 assign (resid 72 and name HA ) (resid 75 and name HB# ) 2.5 0.7 0.7 ! A.179 at 2.46e+05 ! 73 assign (resid 73 and name HG# ) (resid 73 and name HA ) 3.0 1.2 0.8 ! A.167 at 1.87e+05 assign (resid 73 and name HA ) (resid 76 and name HB# ) 4.0 2.2 1.0 ! A.153 at 3.78e+04 assign (resid 73 and name HA ) (resid 76 and name HD## ) 4.0 2.2 1.5 ! A.155 at 4.04e+04 assign (resid 73 and name HA ) (resid 76 and name HB# ) 3.0 1.2 0.3 ! A.166 at 9.56e+04 ! 74 assign (resid 74 and name HG# ) (resid 74 and name HA ) 2.5 0.7 0.2 ! A.161 at 2.12e+05 assign (resid 74 and name HA ) (resid 77 and name HB# ) 2.5 0.7 0.7 ! A.160 at 2.20e+05 ! 75 assign (resid 75 and name HA ) (resid 78 and name HB# ) 3.0 1.2 0.8 ! A.79 at 1.39e+05 ! 76 assign (resid 76 and name HD## ) (resid 76 and name HA ) 2.5 0.7 0.2 ! A.152 at 4.75e+05 assign (resid 76 and name HA ) (resid 79 and name HB ) 3.0 1.2 0.3 ! A.63 at 1.12e+05 ! 77 assign (resid 77 and name HA ) (resid 80 and name HB ) 3.0 1.2 0.3 ! A.144 at 8.16e+04 assign (resid 77 and name HA ) (resid 80 and name HD1# ) 3.0 1.2 0.8 ! A.149 at 8.33e+04 assign (resid 77 and name HA ) (resid 80 and name HG2# ) 3.0 1.2 0.8 ! A.150 at 1.38e+05 ! 78 ! 79 assign (resid 79 and name HA ) (resid 79 and name HG## ) 3.0 1.2 0.3 ! A.50 at 1.36e+05 assign (resid 79 and name HG## ) (resid 79 and name HA ) 2.5 0.7 0.7 ! A.147 at 2.33e+05 assign (resid 79 and name HG## ) (resid 79 and name HA ) 2.5 0.7 0.7 ! A.146 at 4.03e+05 assign (resid 79 and name HG## ) (resid 80 and name HA ) 4.0 2.2 1.0 ! A.51 at 4.00e+04 assign (resid 79 and name HA ) (resid 82 and name HB# ) 3.0 1.2 0.3 ! A.57 at 1.09e+05 assign (resid 79 and name HA ) (resid 82 and name HB# ) 3.0 1.2 0.3 ! A.56 at 1.06e+05 assign (resid 79 and name HG## ) (resid 83 and name HD# ) 4.0 2.2 1.5 ! A.55 at 5.23e+04 assign (resid 79 and name HG## ) (resid 83 and name HE# ) 3.0 1.2 0.8 ! A.52 at 8.67e+04 ! 80 assign (resid 80 and name HD1# ) (resid 80 and name HA ) 3.0 1.2 0.8 ! A.141 at 1.70e+05 assign (resid 80 and name HG2# ) (resid 80 and name HA ) 2.5 0.7 0.7 ! A.142 at 2.91e+05 assign (resid 80 and name HG2# ) (resid 81 and name HA ) 4.0 2.2 1.5 ! A.145 at 4.96e+04 assign (resid 80 and name HG2# ) (resid 83 and name HA ) 4.5 2.2 1.5 ! A.132 at 4.22e+04 assign (resid 80 and name HA ) (resid 83 and name HD# ) 4.0 2.2 1.5 ! A.95 at 4.41e+04 assign (resid 80 and name HA ) (resid 83 and name HB# ) 3.0 1.2 0.3 ! A.58 at 8.22e+04 assign (resid 80 and name HA ) (resid 83 and name HB# ) 3.0 1.2 0.3 ! A.59 at 1.33e+05 ! 81 assign (resid 81 and name HB# ) (resid 83 and name HD# ) 4.0 2.2 2.0 ! A.80 at 2.81e+04 assign (resid 81 and name HA ) (resid 84 and name HB# ) 4.0 2.2 1.0 ! A.61 at 4.22e+04 assign (resid 81 and name HA ) (resid 84 and name HB# ) 3.0 1.2 0.3 ! A.60 at 9.38e+04 ! 82 assign (resid 82 and name HD## ) (resid 84 and name HB# ) 4.0 2.2 1.5 ! A.25 at 4.69e+04 ! 83 assign (resid 83 and name HD# ) (resid 83 and name HB# ) 4.0 2.2 1.5 ! A.40 at 4.90e+04 assign (resid 83 and name HD# ) (resid 83 and name HB# ) 4.0 2.2 1.5 ! A.137 at 5.03e+04 assign (resid 83 and name HD# ) (resid 83 and name HA ) 3.0 1.2 0.8 ! A.131 at 1.03e+05 ! 84
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