NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
28708 |
6gat   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! M1
! K2
! N3
! G4
! E5
! Q6
! N7
! G8
! P9
assign (resid 9 and name HB# ) (resid 10 and name HN ) 3.0 1.2 0.5 ! A.195 at 7.78e+05
assign (resid 9 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.190 at 4.40e+06
! T10
assign (resid 10 and name HN ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.189 at 5.84e+05
assign (resid 10 and name HB ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.199 at 3.48e+05
assign (resid 10 and name HG2# ) (resid 11 and name HN ) 2.5 0.7 0.9 ! A.200 at 2.07e+06
assign (resid 10 and name HG2# ) (resid 23 and name HE1 ) 3.0 1.2 0.8 ! A.442 at 7.37e+05
assign (resid 10 and name HG2# ) (resid 23 and name HZ2 ) 4.0 2.2 1.5 ! B.54 at 1.23e+05
assign (resid 10 and name HG2# ) (resid 31 and name HB# ) 3.0 1.2 0.8 ! B.58 at 2.42e+05
assign (resid 10 and name HG2# ) (resid 31 and name HG# ) 3.0 1.2 0.8 ! B.365
! T11
assign (resid 11 and name HB ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.198 at 5.44e+06
assign (resid 11 and name HG2# ) (resid 11 and name HA ) 2.5 0.7 0.7 ! B.40 at 3.44e+05
assign (resid 11 and name HG2# ) (resid 12 and name HN ) 2.5 0.7 0.9 ! A.208 at 1.48e+06
assign (resid 11 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.204 at 2.26e+06
assign (resid 11 and name HG2# ) (resid 16 and name HN ) 3.0 1.2 1.0 ! A.321 at 9.37e+05
assign (resid 11 and name HG2# ) (resid 16 and name HB# ) 3.0 1.2 0.8 ! B.41 at 2.55e+05
assign (resid 11 and name HG2# ) (resid 16 and name HA ) 2.5 0.7 0.7 ! B.61 at 4.18e+05
assign (resid 11 and name HG2# ) (resid 16 and name HD# ) 3.0 1.2 0.8 ! B.170 at 2.17e+05
assign (resid 11 and name HA ) (resid 18 and name HA ) 4.0 2.2 1.0 ! B.33 at 1.11e+05
assign (resid 11 and name HA ) (resid 23 and name HZ2 ) 4.0 2.2 1.0 ! B.284 at 1.32e+05
! C12
assign (resid 12 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.213 at 2.38e+06
assign ((resid 12 and name HA ) or (resid 13 and name HB))
(resid 14 and name HN ) 3.0 1.2 0.5 ! A.220 at 6.18e+05
assign (resid 12 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.303 at 2.88e+05
assign (resid 17 and name HN ) (resid 12 and name HB# ) 3.0 1.2 0.5 ! A.322 at 1.09e+06
assign (resid 12 and name HB# ) (resid 17 and name HN ) 2.5 0.7 0.4
assign (resid 12 and name HB# ) (resid 17 and name HG2# ) 3.0 1.2 0.8 ! B.46 at 2.69e+05
assign (resid 12 and name HN ) (resid 23 and name HH2 ) 3.0 1.2 0.5 ! A.317 at 9.89e+05
assign (resid 12 and name HN ) (resid 23 and name HZ3 ) 4.0 2.2 1.0 ! A.318 at 4.14e+05
assign (resid 12 and name HA ) (resid 32 and name HA ) 4.0 2.2 1.0 ! B.50 at -1.00e+05
assign (resid 12 and name HA ) (resid 32 and name HD* ) 3.0 1.2 0.8 ! B.198 at 2.61e+05
assign (resid 12 and name HA ) (resid 23 and name HZ3 ) 4.0 2.2 1.0 ! B.285 at 1.15e+05
assign (resid 12 and name HA ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.357 at 3.92e+05
assign (resid 12 and name HB# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.507 at 5.00e+05
assign (resid 12 and name HN ) (resid 16 and name HA ) 3.0 1.2 0.5 ! A.316 at 5.73e+05
assign (resid 12 and name HN ) (resid 16 and name HN ) 4.0 1.2 1.0 ! A.547
! T13
assign (resid 13 and name HG2# ) (resid 13 and name HN ) 2.5 0.7 0.9 ! A.215 at 1.75e+06
assign (resid 13 and name HA ) (resid 13 and name HG2# ) 2.5 0.7 0.7 ! B.2 at 5.04e+05
assign (resid 13 and name HN ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.225 at 5.48e+05
assign (resid 13 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.219 at 4.68e+05
assign (resid 13 and name HN ) (resid 32 and name HA ) 3.0 1.2 0.5 ! A.504 at 5.64e+05
assign (resid 13 and name HN ) (resid 32 and name HD* ) 3.0 1.2 0.8 ! A.319 at 9.30e+05
assign (resid 13 and name HB ) (resid 32 and name HD* ) 4.0 2.2 1.5 ! B.66 at 3.17e+05
assign (resid 13 and name HG2# ) (resid 30 and name HB# ) 2.5 0.7 0.7 ! B.69 at 3.74e+05
assign (resid 13 and name HG2# ) (resid 31 and name HD# ) 4.0 2.2 1.5 ! B.71
assign (resid 13 and name HG2# ) (resid 31 and name HG# ) 4.0 2.2 1.5 ! B.364
! N14
assign (resid 14 and name HB# ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.221 at 1.68e+06
assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.217 at 2.85e+06
assign (resid 14 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.230 at 1.33e+06
assign (resid 14 and name HN ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.295 at 5.07e+05
assign (resid 14 and name HN ) (resid 32 and name HD*) 3.0 1.2 1.0 ! A.223 at 1.66e+06
assign (resid 14 and name HB# ) (resid 32 and name HD* ) 4.0 2.2 1.5 ! B.81 at -1.24e+05
! C15
assign (resid 15 and name HN ) (resid 16 and name HA ) 4.0 2.2 1.0 ! A.433 at 5.40e+05
assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 0.4 ! A.228 at 1.92e+06
assign (resid 15 and name HB#) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.239 at 6.13e+05
assign (resid 15 and name HN ) (resid 32 and name HD* ) 4.0 2.2 1.5 ! A.320 at 5.11e+05
assign (resid 15 and name HA ) (resid 49 and name HD1# ) 2.5 0.7 0.7 ! B.115 at 5.40e+05
assign (resid 15 and name HB# ) (resid 49 and name HD1# ) 3.0 1.2 0.8 ! B.116 at 2.21e+05
! F16
assign (resid 16 and name HB# ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.238 at 1.23e+06
assign (resid 16 and name HN ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.241 at 1.05e+06
! T17
assign (resid 17 and name HB ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.242 at 4.61e+06
assign (resid 17 and name HG2# ) (resid 17 and name HA ) 2.5 0.7 0.7 ! B.45 at 6.88e+05
assign (resid 17 and (name HB or name HA)) (resid 18 and name HN ) 2.5 0.7 0.4
assign (resid 17 and name HG2# ) (resid 18 and name HN ) 3.0 1.2 1.0 ! A.508 at 5.37e+05
assign (resid 17 and name HG2# ) (resid 20 and name HB ) 4.0 2.2 1.5 ! B.341/342 1.16e+05
assign (resid 17 and name HG2# ) (resid 23 and name HH2 ) 3.0 1.2 0.8 ! B.83 at 1.41e+05
assign (resid 17 and name HG2# ) (resid 33 and name HB# ) 3.0 1.2 0.8 ! B.47 at 2.25e+05
assign (resid 17 and name HB ) (resid 33 and name HB# ) 3.0 1.2 0.3 ! B.12 at 1.62e+05
assign (resid 17 and name HG2# ) (resid 20 and name HG2#) 3.0 1.2 0.8 ! B.173 at 1.77e+05
assign (resid 17 and name HG2# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.359
assign (resid 17 and name HA ) (resid 52 and name HE# ) 3.0 1.2 0.3 ! B.171 at 1.86e+05
assign (resid 17 and name HB ) (resid 52 and name HE# ) 4.0 2.2 1.0 ! B.12 at 1.62e+05
! Q18
assign (resid 18 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.249 at 6.61e+05
assign (resid 18 and name HB# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.435/A.324 3.23e+05/4.61e+05
assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.248 at 2.62e+06
assign (resid 18 and name HA ) (resid 23 and name HZ2 ) 3.0 1.2 0.3 ! B.174 at 1.99e+05
! T19
assign (resid 19 and name HG2# ) (resid 19 and name HA ) 2.5 0.7 0.7 ! B.290 at 3.56e+05
assign (resid 19 and name HB ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.182 at 1.80e+06
assign (resid 19 and name HG2# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.254 at 2.23e+06
assign (resid 19 and name HA ) (resid 20 and name HN ) 2.5 0.7 0.4 ! A.436 at 6.74e+06
assign (resid 19 and name HB ) (resid 54 and name HA ) 4.0 2.2 1.0 ! B.300/B.293
assign (resid 19 and name HB ) (resid 55 and name HA ) 4.0 2.2 2.0 ! B.346
assign (resid 19 and name HG2# ) (resid 55 and name HA ) 4.0 2.2 1.5 ! B.221/B.301 1.86e5/8.8e4
assign (resid 19 and name HG2# ) (resid 56 and name HD1# ) 2.5 0.7 0.7 ! B.270 at 3.48e+05
! T20
assign (resid 20 and name HG2# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.255 at 2.43e+06
assign (resid 20 and name HA ) (resid 21 and name HD# ) 3.0 1.2 0.3 ! B.92 at -1.61e+05
assign (resid 20 and name HB ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.12
assign (resid 20 and name HG2# ) (resid 22 and name HN ) 2.5 0.7 0.9 ! A.328 at -1.31e+06
assign (resid 20 and name HG2# ) (resid 23 and name HZ2 ) 3.0 1.2 0.8 ! B.85 at 1.93e+05
assign (resid 20 and name HG2#) (resid 23 and name HE1 ) 3.0 1.2 0.8 ! A.443 at 1.03e+06
assign (resid 20 and name HG2# ) (resid 23 and name HD1 ) 3.0 1.2 0.8 ! B.86 at 1.54e+05
assign (resid 20 and name HG2# ) (resid 33 and name HA ) 3.0 1.2 0.8 ! B.87 at 2.92e+05
assign (resid 20 and name HG2# ) (resid 33 and name HB# ) 3.0 1.2 0.8 ! B.88 at 1.92e+05
assign (resid 20 and name HG2# ) (resid 34 and name HN ) 3.0 1.2 1.0 ! A.361 at 8.91e+05
assign (resid 20 and name HN ) (resid 56 and name HD1# ) 4.0 2.2 1.5 ! A.327 at 5.48e+05
assign (resid 20 and name HA ) (resid 56 and name HD1# ) 4.0 2.2 1.5 ! B.130 at 1.21e+05
! P21
assign (resid 21 and name HG# ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.440
assign (resid 21 and name HA ) (resid 22 and name HN ) 4.0 2.2 2.0
assign (resid 21 and name HB# ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.264 at 4.96e+05
assign (resid 21 and name HD# ) (resid 56 and name HG2# ) 3.0 1.2 0.8 ! B.128 at 2.34e+05
assign (resid 21 and name HG# ) (resid 56 and name HG2# ) 3.0 1.2 0.8 ! B.268 at 1.53e+05
assign (resid 21 and name HD# ) (resid 56 and name HD1# ) 4.0 2.2 1.5 ! B.131 at 1.40e+-5
! V22
assign (resid 22 and name HN ) (resid 34 and name HB# ) 3.0 1.2 0.5 ! A.438 at 6.16e+05
assign (resid 22 and name HG1# ) (resid 34 and name HB# ) 4.0 2.2 1.5 ! B.347
assign (resid 22 and name HG1# ) (resid 22 and name HN ) 3.0 1.2 1.0 ! A.441 at 9.08e+05
assign (resid 22 and name HG2# ) (resid 22 and name HA ) 2.5 0.7 0.7 ! B.179 at 4.21e+05
assign (resid 22 and name HB ) (resid 22 and name HA ) 2.5 0.7 0.2 ! B.180 at 4.52e+05
assign (resid 22 and name HB ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.269 at 5.07e+05
assign (resid 22 and name HA ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.267 at 2.58e+06
assign (resid 22 and name HG1# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.336 at 3.80e+05
assign (resid 22 and name HG2# ) (resid 23 and name HN ) 2.5 0.7 0.9 ! A.335 at 1.93e+06
! W23
assign (resid 23 and name HD1 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.266 at 7.16e+05
assign (resid 23 and name HB# ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.339 at 9.81e+05
assign (resid 23 and name HE3 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.270 at 6.01e+05
assign (resid 23 and name HZ3 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.510 at 4.11e+05
! R24
assign (resid 24 and name HA ) (resid 25 and name HN ) 2.5 0.7 0.4 ! A.308 at 1.57e+06
assign (resid 24 and name HN ) (resid 32 and name HD* ) 4.0 2.2 1.5 ! A.341 at 6.61e+05
assign (resid 24 and name HN ) (resid 32 and name HB# ) 4.0 2.2 2.0
assign (resid 24 and name HE ) (resid 22 and name HG1# ) 4.0 2.2 1.5
assign (resid 24 and name HE ) (resid 38 and name HD* ) 4.0 2.2 1.5
assign (resid 24 and name HH1*) (resid 22 and name HG1# ) 4.0 2.2 2.0
assign (resid 24 and name HH1*) (resid 38 and name HD* ) 4.0 2.2 1.5
! R25
assign (resid 25 and name HA ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.274 at 2.99e+06
assign (resid 25 and name HB# ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.347 at 5.85e+05
assign (resid 25 and name HG# ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.552
assign (resid 25 and name HD# ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.346 at 6.95e+05
assign (resid 25 and name HB# ) (resid 29 and name HN ) 4.0 2.2 2.0 ! A.350 at 4.13e+05
assign (resid 25 and name HB# ) (resid 29 and name HA# ) 4.0 2.2 1.0 ! B.357
assign (resid 25 and name HB# ) (resid 31 and name HA ) 4.0 2.2 1.0 ! B.359
assign (resid 25 and name HA ) (resid 31 and name HA ) 3.0 1.2 0.3 ! B.48 at 1.58e+05
assign (resid 25 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.306 at 3.15e+05
assign (resid 25 and name HN ) (resid 32 and name HD*) 4.0 2.2 1.0 ! A.343 at 9.07e+05
assign (resid 25 and name HD# ) (resid 31 and name HA ) 4.0 2.2 1.0 ! B.353
assign (resid 25 and name HD# ) (resid 29 and name HA# ) 4.0 2.2 1.0 ! B.354
! N26
assign (resid 26 and name HN ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.292 at 7.63e+05
assign (resid 26 and name HB# ) (resid 28 and name HN ) 4.0 2.2 2.0 ! A.502 at 2.43e+05
assign (resid 26 and name HB# ) (resid 32 and name HD*) 4.0 2.2 2.0 ! B.305 at 1.13e+05
assign (resid 26 and name HN ) ((resid 32 and name HD*) or
(resid 32 and name HG )) 4.0 2.2 1.5 ! A.513 at 6.64e+05
! P27
assign (resid 27 and name HB# ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.533
assign (resid 27 and name HD# ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.279 at 4.65e+05
! E28
assign (resid 28 and name HN ) (resid 29 and name HN ) 2.5 0.7 0.4 ! A.276 at 1.91e+06
assign (resid 28 and name HB# ) (resid 29 and name HN ) 3.0 1.2 0.5 ! A.289 at -6.72e+05
assign (resid 28 and name HG# ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.447 at 9.46e+05
assign (resid 28 and name HN ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.293 at 8.83e+05
! G29
assign (resid 29 and name HN ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.291 at 2.03e+06
assign (resid 29 and name HN ) (resid 30 and name HB# ) 4.0 2.2 1.0 ! A.447
assign (resid 29 and name HA# ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.351 at 1.12e+06
! Q30
assign (resid 30 and name HA ) (resid 31 and name HD# ) 3.0 1.2 0.3 !B.195/B.358
! P31
assign (resid 31 and name HA ) (resid 32 and name HN ) 2.5 0.7 0.4 ! A.307 at 2.69e+06
assign (resid 31 and name HB# ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.356 at 6.65e+05
! L32
assign (resid 32 and name HA ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.4 at 2.29e+06
assign (resid 32 and name HB# ) (resid 33 and name HN ) 3.0 1.2 0.5 ! A.358 at 7.11e+05
assign (resid 32 and name HB# ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.366 at 6.98e+05
assign (resid 32 and name HB# ) (resid 37 and name HA# ) 4.0 2.2 2.0 ! B.318 at 1.14e+05
assign (resid 32 and name HD* ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.360 at 8.51e+05
assign (resid 32 and name HD* ) (resid 36 and name HB# ) 3.0 1.2 0.8 ! B.200 at 2.76e+05
assign (resid 32 and name HD* ) (resid 37 and name HN ) 3.0 1.2 1.0 ! A.368 at 6.50e+05
assign (resid 32 and name HD* ) (resid 37 and name HA# ) 3.0 1.2 0.8 ! B.202 at 1.77e+05
assign (resid 32 and name HD* ) (resid 40 and name HD2# ) 4.0 2.2 1.5 ! B.307 at 2.5e0e+05
! C33
assign (resid 33 and name HA ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.11 at 9.71e+05
assign (resid 33 and name HB# ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.449 at 7.09e+05
assign (resid 33 and name HN ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.2 at 4.22e+05
! N34
assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.534
assign (resid 34 and name HB# ) (resid 35 and name HN ) 3.0 1.2 0.5 ! A.17/A.18
! A35
assign (resid 35 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.9 ! A.23 at 1.98e+06
assign (resid 35 and name HN ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.20 at 7.42e+05
assign (resid 35 and name HA ) (resid 38 and name HB# ) 3.0 1.2 0.8 ! B.265
! C36
assign (resid 36 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.535 at 2.1e+06
assign (resid 36 and name HB# ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.365 at -7.42e+05
assign (resid 36 and name HN ) (resid 49 and name HD2# ) 4.0 2.2 2.0 ! A.364 at 3.76e+05
assign (resid 36 and name HN ) (resid 38 and name HB# ) 4.0 2.2 2.0
! G37
assign (resid 37 and name HA1 ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.29 at 8.52e+05
assign (resid 37 and name HN ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.10 at 9.15e+05
! L38
assign (resid 38 and name HN ) (resid 38 and name HG ) 2.5 0.7 0.4 ! A.492 at 3.43e+06
assign (resid 38 and name HA ) (resid 38 and name HD2#) 2.5 0.7 0.7 ! B.328 at 8.43e+05
assign (resid 38 and name HN ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.27 at 7.35e+05
assign (resid 38 and name HD* ) (resid 39 and name HN ) 3.0 1.2 1.0 ! A.369 at 5.21e+05
assign (resid 38 and name HB# ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.39 at 7.66e+05
assign (resid 38 and name HG ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.370 at 1.13e+06
assign (resid 38 and name HN ) (resid 41 and name HN ) 4.0 2.2 1.0
! F39
assign (resid 39 and name HA ) (resid 42 and name HB# ) 4.0 2.2 1.0 ! B.210 at 1.07e+05
assign (resid 39 and name HA ) (resid 42 and name HD1# ) 4.0 2.2 1.5
assign (resid 39 and name HN ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.34 at 6.78e+05
assign (resid 39 and name HB1) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.45 at 6.45e+05
assign (resid 39 and name HD#) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.43 at 3.43e+05
assign (resid 39 and name HD#) (resid 45 and name HG2# ) 4.0 2.2 2.0 ! A.107 at 1.37e+05
assign (resid 39 and name HE#) (resid 45 and name HG2# ) 4.0 2.2 1.5 ! A.109 at 2.64e+05
assign (resid 39 and name HE#) (resid 45 and name HG1# ) 4.0 2.2 2.0
assign (resid 39 and name HZ ) (resid 45 and name HG2# ) 4.0 2.2 2.0 ! A.108 at 1.73e+05
! L40
assign (resid 40 and name HA ) (resid 40 and name HD1# ) 3.0 1.2 0.8 ! B.38 at 2.90e+05
assign (resid 40 and name HN ) (resid 40 and name HD2# ) 4.0 2.2 1.5 ! A.494 at 8.68e+05
assign (resid 40 and name HN ) (resid 40 and name HG ) 4.0 2.2 1.0 ! A.496 at 5.32e+05
assign (resid 40 and name HD1# ) (resid 41 and name HN ) 4.0 2.2 1.5 ! A.373 at 8.11e+05
assign (resid 40 and name HD2# ) (resid 41 and name HN ) 4.0 2.2 1.5 ! A.374 at 7.2e+05
assign (resid 40 and name HN ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.42 at 6.99e+05
assign (resid 40 and name HD1# ) (resid 44 and name HN ) 3.0 1.2 1.0 ! A.379 at -7.7e+05
assign (resid 40 and name HD1# ) (resid 44 and name HA# ) 4.0 2.2 1.5 ! A.243 at 1.02e+05
assign (resid 40 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.378 at -4.20e+05
assign (resid 40 and name HG ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.561
assign (resid 40 and name HD1# ) (resid 45 and name HN ) 3.0 1.2 1.0 ! A.390 at 1.02e+06
assign (resid 40 and name HD1# ) (resid 45 and name HA ) 4.0 2.2 2.5 ! B.223 at 1.29e+05
assign (resid 40 and name HD* ) (resid 46 and name HG1# ) 4.0 2.2 2.0 ! B.248 at 1.44e+05
assign (resid 40 and name HD* ) (resid 46 and name HA ) 3.0 1.2 0.8 ! B.216/B.63 3.61e5/2.01e5
assign (resid 40 and name HD* ) (resid 49 and name HD* ) 3.0 1.2 0.8 ! B.225 at 3.87e+05
! K41
assign (resid 41 and name HN ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.52 at 3.15e+06
assign (resid 41 and name HN ) (resid 42 and name HB# ) 4.0 2.2 2.0 ! A.545 at 4.61e+05
assign (resid 41 and name HB# ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.466/A.467
assign (resid 41 and name HG# ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.464
assign (resid 41 and name HD# ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.469
assign (resid 41 and name HG# ) (resid 42 and name HD2# ) 4.0 2.2 2.0
! L42
assign (resid 42 and name HN ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.61 at 1.09e+06
assign (resid 42 and name HB# ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.382 at -9.27e+05
assign (resid 42 and name HD* ) (resid 43 and name HN ) 4.0 2.2 2.5 ! A.473 at 3.66e+05
! H43
assign (resid 43 and name HN ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.68 at -1.18e+06
assign (resid 43 and name HN ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.471 at -3.35e+05
assign (resid 43 and name HN ) (resid 43 and name HB#) 2.5 0.7 0.4 ! at 1.10e+06
assign (resid 43 and name HN ) (resid 44 and name HA# ) 4.0 2.2 2.0 ! A.302 at 2.84e+05
assign (resid 43 and name HB# ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.391 at 5.46e+05
assign (resid 43 and name HA ) (resid 45 and name HG2#) 3.0 1.2 0.8 ! B.241 at 1.19e+05
assign (resid 43 and name HN ) (resid 45 and name HG2#) 4.0 2.2 1.5 ! A.518 at 4.3e+05
assign (resid 43 and name HB# ) (resid 45 and name HG2#) 3.0 1.2 0.8 ! B.106/B.242 2.82e+05
assign (resid 43 and name HB# ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.78 at -4.17e+05
! G44
assign (resid 44 and name HN ) (resid 45 and name HN ) 2.5 0.7 0.4 ! A.383 at -1.31e+06
assign (resid 44 and name HA# ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.384 at -5.90e+05
assign (resid 44 and name HN ) (resid 45 and name HG1# ) 4.0 2.2 2.0 ! A.380 at -4.73e+05
! V45
assign (resid 45 and name HA ) (resid 45 and name HG1# ) 2.5 0.7 0.7 ! B.244
assign (resid 45 and name HA ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.427 at 2.75e+06
assign (resid 45 and name HB ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.394 at 2.05e+06
assign (resid 45 and name HB ) (resid 46 and name HG2# ) 4.0 2.2 1.5 ! B.249 at 1.33e+05
! V46
assign (resid 46 and name HB ) (resid 46 and name HA ) 2.5 0.7 0.2
assign (resid 46 and name HG1#) (resid 46 and name HA ) 2.5 0.7 0.7 ! B.333 at 5.26e+05
assign (resid 46 and name HG1#) (resid 46 and name HN ) 2.5 0.7 0.9
assign (resid 46 and name HG2#) (resid 46 and name HN ) 2.5 0.7 0.9
assign (resid 46 and name HA ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.94 at 1.90e+06
assign (resid 46 and name HB ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.484 at 1.31e+06
assign (resid 46 and name HG1# ) (resid 47 and name HN ) 3.0 1.2 1.0 ! A.486 at 1.34e+06
assign (resid 46 and name HG2# ) (resid 47 and name HN ) 4.0 2.2 1.5 ! A.487 at 4.65e+05
! R47
assign (resid 47 and name HA ) (resid 48 and name HD# ) 2.5 0.7 0.2 ! B.112 at-4.05e+05
! P48
assign ((resid 48 and name HB#) or (resid 49 and name HG))
(resid 49 and name HN ) 3.0 1.2 0.5 ! A.97 at 1.17e+06
assign ((resid 48 and name HB#) or (resid 49 and name HG)) (resid 50 and name HN ) 3.0 1.2 0.5
assign (resid 48 and name HB# ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.97 at 1.17e+06
assign (resid 48 and name HA ) (resid 49 and name HN ) 2.5 0.7 0.4 ! A.95 at 6.33e+06
assign (resid 48 and name HB# ) (resid 51 and name HD1# ) 3.0 1.2 0.8 ! B.122 at 2.59e+05
assign (resid 48 and name HB# ) (resid 51 and name HD2# ) 4.0 2.2 1.5
assign (resid 48 and name HD# ) (resid 51 and name HD1# ) 4.0 2.2 1.5 ! B.121 at 1.43e+05
assign (resid 48 and name HB# ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.399 at 1.31e+06
! L49
assign (resid 49 and name HA ) (resid 49 and name HD2# ) 3.0 1.2 0.8 ! B.281 at 3.06e+05
assign (resid 49 and name HN ) (resid 49 and name HG ) 2.5 0.7 0.4 ! A.499 at 3.89e+06
assign (resid 49 and name HN ) (resid 49 and name HD1# ) 3.0 1.2 1.0 ! A.501 at 5.48e+05
assign (resid 49 and name HN ) (resid 49 and name HD2# ) 3.0 1.2 1.0 ! A.500 at 9.50e+05
assign (resid 49 and name HN ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.396 at 8.23e+05
assign (resid 49 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.401 at 9.89e+05
assign (resid 49 and name HB# ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.397 at 7.29e+05
assign (resid 49 and name HD1# ) (resid 16 and name HE# ) 4.0 2.2 2.0 ! B.117 at 1.60e+05
assign (resid 49 and name HD2# ) (resid 52 and name HG# ) 4.0 2.2 2.0
! S50
assign ((resid 48 and name HB#) or (resid 49 and name HG))
(resid 50 and name HN ) 4.0 2.2 1.0 ! A.104 at 6.15e+05
assign (resid 50 and name HN ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.479 at 7.27e+05
assign ((resid 50 and name HB# ) or (resid 49 and name HA))
(resid 51 and name HN ) 2.5 0.7 0.4 ! A.400 at 1.08e+06
assign (resid 50 and name HN ) (resid 51 and name HD2# ) 4.0 2.2 1.5 ! A.490 at 3.04e+05
! L51
assign (resid 51 and name HN ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.398 at 2.04e+06
assign (resid 51 and name HB2 ) (resid 51 and name HN ) 2.5 0.7 0.4
assign (resid 51 and name HD2#) (resid 51 and name HA ) 2.5 0.7 0.7 ! B.317 at 1.16e+06
assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.113 at 9.62e+05
assign (resid 51 and name HD1# ) (resid 52 and name HN ) 3.0 1.2 1.0 ! A.403 at 8.50e+05
! K52
assign (resid 52 and name HA ) (resid 53 and name HN ) 2.5 0.7 0.4 ! A.408 at 4.59e+06
assign (resid 52 and name HB# ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.407 at 1.25e+06
assign (resid 52 and name HG# ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.405 at 1.05e+06
assign (resid 52 and name HD# ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.406 at 8.18e+05
! T53
assign (resid 53 and name HB ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.124 at 6.73e+05
assign (resid 53 and name HG2# ) (resid 53 and name HN ) 2.5 0.7 0.9 ! A.521 at 2.09e+06
assign (resid 53 and name HG2# ) (resid 54 and name HN ) 4.0 2.2 1.5 ! A.477 at 4.42e+05
assign (resid 53 and name HG2# ) (resid 55 and name HN ) 2.5 0.7 0.9 ! A.409 at 1.46e+06
assign (resid 53 and name HG2# ) (resid 55 and name HB ) 4.0 2.2 1.5
assign (resid 53 and name HG2# ) ((resid 56 and name HD1#) or (resid 55 and name HG*)) 3.0 1.2 1.5 ! B.124 at 1.94e+05
! D54
assign (resid 54 and name HB# ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.126 at 8.92e+05
assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 0.4 ! A.127 at 1.47e+06
assign (resid 54 and name HB# ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.410/411 at 3.75e+05/3.80e+05
assign (resid 54 and name HN ) (resid 55 and name HG* ) 4.0 2.2 1.5 ! A.563 at 3.57e+05
assign (resid 54 and name HB# ) (resid 55 and name HG* ) 4.0 2.2 2.0
! V55
assign (resid 55 and name HB ) (resid 55 and name HN ) 2.5 0.7 0.4
assign (resid 55 and name HA ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.412 at 6.39e+06
assign ((resid 55 and name HG*) or (resid 56 and name HD1#))
(resid 56 and name HN ) 3.0 1.2 1.0
assign ((resid 55 and name HG*) or (resid 56 and name HG2#))
(resid 58 and name HN ) 4.0 2.2 1.5 ! B.416 at 4.16e+05
! I56
assign (resid 56 and name HG2# ) (resid 57 and name HN ) 2.5 0.7 0.9 ! A.415 at -1.54e+06
assign (resid 56 and name HA ) (resid 57 and name HN ) 2.5 0.7 0.4 ! A.413 at -4.72e+06
assign (resid 56 and name HG2# ) (resid 57 and name HB# ) 4.0 2.2 1.5
assign (resid 56 and name HG2# ) (resid 58 and name HG# ) 4.0 2.2 1.5
! K57
assign (resid 57 and name HA ) (resid 58 and name HN ) 2.5 0.7 0.4 ! A.150 at 8.22e+06
assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.497 at 3.52e+05
! K58
assign (resid 58 and name HA ) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.154 at 4.68e+06
assign (resid 58 and name HB#) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.529 at 1.43e+06
! R59
assign (resid 59 and name HB#) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.420/421 at 1.12e6/9.0e5
assign ((resid 59 and name HA ) or (resid 60 and name HA))
(resid 60 and name HN ) 2.5 0.7 0.4 ! A.524 at 5.20e+06
! N60
assign (resid 60 and name HB# ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.156 at 3.77e+06
assign (resid 60 and name HN ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.419 at 3.90e+05
assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.422 at 6.45e+06
assign (resid 60 and name HB# ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.159 at 9.87e+05
! R61
assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.161 at 3.46e+06
! N62
assign (resid 62 and name HB# ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.170 at 2.96e+05
assign (resid 62 and name HA ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.167 at 2.74e+07
! S63
assign (resid 63 and name HB# ) (resid 63 and name HN ) 3.0 1.2 0.5 ! A.169 at 8.61e+05
! A64
! N65
! S66
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