NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
28669 |
4gat   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! P9
assign (resid 9 and name HB# ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.175 at 3.37e+05
assign (resid 9 and name HA ) (resid 10 and name HN ) 3.0 1.2 0.5 ! A.171 at 2.40e+06
! T10
assign (resid 10 and name HB ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.173 at 9.95e+05
assign (resid 10 and name HG2# ) (resid 10 and name HA ) 2.5 0.7 0.7 ! B.4 at 2.33e+05
assign (resid 10 and name HN ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.169 at 3.29e+05
assign (resid 10 and name HG2# ) (resid 11 and name HN ) 2.5 0.7 0.9 ! A.185 at 9.50e+05
assign (resid 10 and name HB ) (resid 23 and name HZ2 ) 4.0 2.2 1.0 ! A.173 at 9.85e+04
assign (resid 10 and name HG2# ) (resid 23 and name HE1 ) 3.0 1.2 0.8 ! A.464 at 4.03e+05
assign (resid 10 and name HG2# ) (resid 23 and name HZ2 ) 3.0 1.2 0.8 ! B.90 at 1.03e+05
assign (resid 10 and name HG2# ) (resid 31 and name HB# ) 3.0 1.2 0.8 ! B.6 at 1.40e+05
assign (resid 10 and name HG2# ) (resid 31 and name HG# ) 3.0 1.2 0.8 !
! T11
assign (resid 11 and name HG2# ) (resid 11 and name HA ) 2.5 0.7 0.7 ! B.9 at 2.11e+05
assign (resid 11 and name HB ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.183 at 2.34e+05
assign (resid 11 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.317
assign (resid 11 and name HG2# ) (resid 12 and name HN ) 2.5 0.7 0.9 ! A.303 at 1.02e+06
assign (resid 11 and name HB ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.305 at 2.19e+05
assign (resid 11 and name HB ) (resid 13 and name HG2#) 4.0 2.2 1.5 ! B.231
assign (resid 11 and name HG2# ) (resid 16 and name HN ) 3.0 1.2 1.0 ! A.206 at 5.57e+05
assign (resid 11 and name HG2# ) (resid 16 and name HB# ) 3.0 1.2 1.0 ! B.12 at 1.34e+05
assign (resid 11 and name HG2# ) (resid 16 and name HA ) 2.5 0.7 0.7 ! B.10 at 3.02e+05
assign (resid 11 and name HG2# ) (resid 16 and name HD# ) 3.0 1.2 0.8 ! B.230
assign (resid 11 and name HA ) (resid 18 and name HA ) 4.0 2.2 1.0 ! B.43 at 6.88e+04
assign (resid 11 and name HA ) (resid 23 and name HH2 ) 3.0 1.2 0.3 ! B.143 at 1.02e+05
! C12
assign (resid 12 and name HB# ) (resid 12 and name HN ) 3.0 1.2 0.5 ! A.302 at 5.40e+05
assign ((resid 12 and name HA ) or (resid 13 and name HB))
(resid 13 and name HN ) 2.5 0.7 0.4
assign (resid 12 and name HN ) (resid 16 and name HA ) 4.0 2.2 1.0 ! A.448 at 2.26e+05
assign (resid 12 and name HB# ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.210 at 5.77e+05
assign (resid 12 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.446 at 2.24e+05
assign (resid 12 and name HB# ) (resid 17 and name HG2# ) 3.0 1.2 0.8 ! B.17 at 8.22e+04
assign (resid 12 and name HN ) (resid 18 and name HA ) 4.0 2.2 1.0 ! A.346 at 2.50e+05
assign (resid 12 and name HN ) (resid 23 and name HH2 ) 3.0 1.2 0.5 ! A.298 at 6.95e+05
assign (resid 12 and name HN ) (resid 23 and name HZ3 ) 4.0 2.2 1.0 ! A.473 at 2.62e+05
assign (resid 12 and name HA ) (resid 32 and name HD* ) 3.0 1.2 0.8 ! B.100 at 1.45e+05
assign (resid 12 and name HA ) (resid 32 and name HA ) 4.0 2.2 1.0 ! B.57 at -7.98e+04
assign (resid 12 and name HA ) (resid 23 and name HZ3 ) 3.0 1.2 0.3 ! B.167 at 8.99e+04
assign (resid 12 and name HA ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.559 at 2.66e+05
assign (resid 12 and name HN ) (resid 33 and name HN ) 4.0 2.2 2.0 ! A.562
assign (resid 12 and name HB# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.536 at 3.17e+05
! T13
assign (resid 13 and name HG2# ) (resid 13 and name HN ) 2.5 0.7 0.9 ! A.348 at 7.36e+05
assign (resid 13 and name HA ) (resid 13 and name HG2# ) 2.5 0.7 0.7 ! B.26 at 2.60e+05
assign (resid 13 and name HN ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.512 at 3.76e+05
assign (resid 13 and name HN ) (resid 23 and name HZ3 ) 4.0 2.2 1.0 ! A.474
assign ((resid 13 and name HB) or (resid 12 and name HA)) (resid 14 and name HN) 4.0 2.2 1.0 !A.314 at 2.55e+05
assign (resid 13 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.313 at 3.19e+05
assign (resid 13 and name HG2# ) (resid 30 and name HB# ) 3.0 1.2 0.8 ! B.189 at 8.67e+04
assign (resid 13 and name HN ) (resid 32 and name HA ) 3.0 1.2 0.5 ! A.308 at 3.63e+05
assign (resid 13 and name HN ) (resid 32 and name HD* ) 3.0 1.2 0.8 ! A.349 at 3.70e+05
assign (resid 13 and name HB ) (resid 32 and name HD* ) 4.0 2.2 1.5 ! B.23 at 1.00e+05
! N14
assign (resid 14 and name HB# ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.312 at 5.64e+05
assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.476 at 8.73e+05
assign (resid 14 and name HB# ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.198 at 5.86e+05
assign (resid 14 and name HN ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.513 at 2.36e+05
assign (resid 14 and name HN ) (resid 32 and name HD* ) 3.0 1.2 1.0 ! A.477 at 6.36e+05
assign (resid 14 and name HB# ) (resid 32 and name HD* ) 3.0 1.2 1.0 !
assign (resid 32 and name HD* ) (resid 14 and name HB# ) 4.0 2.2 1.5 ! B.178 at 1.20e+05
! C15
assign (resid 15 and name HN ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.197 at 5.51e+05
assign (resid 15 and name HB# ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.205 at 2.72e+05
assign (resid 15 and name HN ) (resid 32 and name HD* ) 4.0 2.2 1.5 ! A.479 at 3.45e+05
assign (resid 15 and name HB# ) (resid 49 and name HD1# ) 3.0 1.2 0.8 ! B.134 at 9.75e+04
assign (resid 15 and name HA ) (resid 49 and name HD1# ) 2.5 0.7 0.7 ! B.71 at 1.52e+05
! F16
assign (resid 16 and name HB# ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.204 at 8.28e+05
assign (resid 16 and name HD# ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.544 at 2.61e+05
assign (resid 16 and name HA ) (resid 16 and name HN ) 2.5 0.7 0.4 ! B.31 at 1.76e+05
assign (resid 16 and name HB# ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.209 at 6.23e+05
assign (resid 16 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.353 at 2.52e+05
! T17
assign (resid 17 and name HG2# ) (resid 17 and name HN ) 2.5 0.7 0.9 ! A.211 at 1.23e+06
assign (resid 17 and (name HA or name HB)) (resid 18 and name HN) 2.5 0.7 0.4 ! A.318 at 1.45e+06
assign (resid 17 and name HG2# ) (resid 18 and name HN ) 4.0 2.2 1.5 ! A.357 at 2.45e+05
assign (resid 17 and name HG2# ) (resid 20 and name HG2# ) 3.0 1.2 1.3 ! B.171 at 9.30e+04
assign (resid 17 and name HG2# ) (resid 23 and name HH2 ) 3.0 1.2 0.8 ! B.92 at 1.00e+05
assign (resid 17 and name HG2# ) (resid 33 and name HA ) 4.0 2.2 1.5 ! B.41 at 9.25e+04
assign (resid 17 and name HG2# ) (resid 33 and name HB# ) 3.0 1.2 0.8 ! B.34 at 1.59e+05
assign (resid 17 and name HG2# ) (resid 35 and name HN ) 4.0 2.2 1.5 ! A.555
assign (resid 17 and (name HB or name HA)) (resid 52 and name HE#) 3.0 1.2 0.3 ! B.118 at 7.81e+04
! Q18
assign (resid 18 and name HB# ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.355 at 6.32e+05
assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.316 at 7.74e+05
assign (resid 18 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.214 at 3.90e+05
assign (resid 18 and name HB# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.359 at 2.91e+05
assign (resid 18 and name HA ) (resid 23 and name HZ2 ) 3.0 1.2 0.3 ! B.45 at 1.29e+05
! T19
assign (resid 19 and name HB ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.215 at 9.16e+05
assign (resid 19 and name HG2# ) (resid 19 and name HA ) 2.5 0.7 0.7 ! B.8 at 2.69e+05
assign (resid 19 and name HG2# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.515 at 7.40e+05
assign (resid 19 and name HG2# ) (resid 55 and name HA ) 4.0 2.2 2.0 ! A.46 at 9.36e+04
assign (resid 19 and name HB ) (resid 54 and name HA ) 4.0 2.2 1.0 ! A.48 at 1.04e+05
assign (resid 19 and name HG2# ) (resid 56 and name HD1#) 2.5 0.7 1.2 ! C.13 at 1.88e+05
! T20
assign (resid 20 and name HA ) (resid 56 and name HD1# ) 4.0 2.2 1.5 ! B.116 at 1.03e+05
assign (resid 20 and name HG2# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.528 at 7.51e+05
assign (resid 20 and name HG2# ) (resid 22 and name HN ) 2.5 0.7 0.9 ! A.228 at 8.88e+05
assign (resid 20 and name HG2# ) (resid 23 and name HE1 ) 3.0 1.2 0.8 ! A.463 at 4.81e+05
assign (resid 20 and name HG2# ) (resid 23 and name HZ2 ) 3.0 1.2 0.8 ! B.139 at 8.94e+04
assign (resid 20 and name HG2# ) (resid 23 and name HD1 ) 3.0 1.2 0.8 ! B.55 at 1.01e+05
assign (resid 20 and name HG2# ) (resid 33 and name HA ) 3.0 1.2 0.8 ! B.79 at 7.98e+04
assign (resid 20 and name HG2# ) (resid 33 and name HB# ) 4.0 2.2 1.5 ! B.51 at 6.84e+04
assign (resid 20 and name HG2# ) (resid 34 and name HN ) 3.0 1.2 1.0 ! A.537 at 4.19e+05
assign (resid 20 and name HN ) (resid 56 and name HD1#) 4.0 2.2 1.5 ! B.361 at 2.87e+05
! P21
assign (resid 21 and name HA ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.226 at 2.63e+05
assign (resid 21 and name HB# ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.609
assign (resid 21 and name HG# ) (resid 22 and name HN ) 3.0 1.2 0.8 ! A.616
assign (resid 21 and name HD# ) (resid 56 and name HG2#) 3.0 1.2 0.8 ! B.120
assign (resid 21 and name HD# ) (resid 56 and name HD1#) 4.0 2.2 1.5 ! B.117/B.281
! L22
assign (resid 22 and name HD1# ) (resid 23 and name HN ) 2.5 0.7 0.9 ! A.362 at 9.00e+05
assign (resid 22 and name HA ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.366 at 1.91e+06
assign (resid 22 and name HB#) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.363
assign (resid 22 and name HD1# ) (resid 22 and name HA ) 2.5 0.7 0.7 ! B.234 at 3.79e+05
assign (resid 22 and name HG ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.364 at 3.66e+05
assign (resid 22 and name HN ) (resid 34 and name HA ) 4.0 2.2 1.0 ! A.224
assign (resid 22 and name HN ) (resid 34 and name HB# ) 3.0 1.2 0.5 ! A.227 at 3.58e+05
assign (resid 22 and name HN ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.613 at 1.96e+05
! W23
assign (resid 23 and name HN ) (resid 23 and name HD1 ) 3.0 1.2 0.5 ! A.231
assign (resid 23 and name HA ) (resid 24 and name HN ) 2.5 0.7 0.4 ! A.567
assign (resid 23 and name HB# ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.322 at 4.17e+05
assign (resid 23 and name HE3 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.549 at 4.56e+05
assign (resid 23 and name HE3 ) (resid 32 and name HN ) 4.0 2.2 2.0 ! A.257 at 2.72e+05
assign (resid 23 and name HZ3 ) (resid 33 and name HN ) 4.0 2.2 2.0 ! A.259 at 3.80e+05
assign (resid 23 and name HZ3 ) (resid 34 and name HN ) 4.0 2.2 2.0 ! A.483
! R24
assign (resid 24 and name HE ) (resid 22 and name HD* ) 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 HA ) (resid 25 and name HN ) 2.5 0.7 0.4 ! A.369 at 7.69e+05
assign (resid 24 and name HN ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.233 at 3.04e+05
assign (resid 24 and name HN ) (resid 32 and name HB# ) 4.0 2.2 2.0 !
assign (resid 24 and name HN ) (resid 32 and name HD*) 4.0 2.2 1.5 ! A.472 at 4.23e+05
assign (resid 24 and name HN ) (resid 32 and name HA ) 4.0 2.2 2.0 ! A.588 at 2.32e+05
! R25
assign (resid 25 and name HA ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.133 at 1.72e+06
assign (resid 25 and name HG# ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.137
assign (resid 25 and name HD# ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.323
assign (resid 25 and name HA ) (resid 31 and name HA ) 3.0 1.2 0.3 ! B.98 at 7.30e+04
assign (resid 25 and (name HB# or name HG#)) (resid 30 and name HN) 4.0 2.2 2.0 ! A.458
assign (resid 25 and name HA ) (resid 32 and name HN ) 3.0 1.2 0.8 ! A.449 at 3.26e+05
assign (resid 25 and name HB# ) (resid 29 and name HN ) 4.0 2.2 2.0 ! A.568 at 2.02e+05
assign (resid 25 and name HN ) (resid 32 and name HD* ) 3.0 1.2 1.0 ! A.370 at 5.88e+05
! N26
assign (resid 26 and name HB# ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.135 at 4.58e+05
assign (resid 26 and name HN ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.535 at 2.69e+05
assign (resid 26 and name HN ) (resid 30 and name HB# ) 3.0 1.2 0.5 ! A.136 at 4.50e+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.138 at 2.51e+05
! P27
assign (resid 27 and name HB# ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.374 at 3.70e+05
! E28
assign (resid 28 and name HN ) (resid 29 and name HN ) 2.5 0.7 0.4 ! A.238 at 1.00e+06
assign (resid 28 and name HG# ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.324 at 4.50e+05
assign (resid 28 and name HN ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.251 at 4.34e+05
! G29
assign (resid 29 and name HA# ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.457 at 4.36e+05
assign (resid 29 and name HA# ) (resid 30 and name HA ) 4.0 2.2 1.0 ! B.99
assign (resid 29 and name HN ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.249 at 6.29e+05
assign (resid 29 and name HN ) (resid 30 and name HB# ) 4.0 2.2 1.0 ! A.594
! Q30
assign (resid 30 and name HB# ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.456 at 1.57e+06
! P31
assign (resid 31 and name HB# ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.491 at 3.23e+05
assign (resid 31 and name HA ) (resid 32 and name HN ) 2.5 0.7 0.4 ! A.450 at 1.56e+06
! L32
assign (resid 32 and name HA ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.260 at 9.16e+05
assign (resid 32 and name HB# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.443 at 3.16e+05
assign (resid 32 and name HB# ) (resid 24 and name HN ) 4.0 2.2 1.0 !
assign (resid 32 and name HD* ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.444 at 4.56e+05
assign (resid 32 and name HB# ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.565 at 2.20e+05
assign (resid 32 and name HG ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.489
assign (resid 32 and name HD* ) (resid 37 and name HN ) 4.0 2.2 1.5 ! A.489 at 3.80e+05
assign (resid 32 and name HD* ) (resid 36 and name HB# ) 4.0 2.2 1.5 ! B.67 at <1.00e+05
assign (resid 32 and name HD* ) (resid 40 and name HD* ) 4.0 2.2 2.0 ! B.265
! C33
assign (resid 33 and name HB# ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.265 at 3.27e+05
assign (resid 33 and name HA ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.261 at 6.65e+05
assign (resid 33 and name HN ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.501 at 2.68e+05
assign (resid 33 and name HN ) (resid 36 and name HB# ) 4.0 2.2 2.0 ! A.490 at 3.22e+05
! N34
assign (resid 34 and name HB# ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.534 at 4.56e+05
assign (resid 34 and name HB# ) (resid 35 and name HN ) 3.0 1.2 0.5 ! A.485 at 4.09e+05
assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.557 at 2.09e+05
assign (resid 34 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.5 at 2.70e+05
! A35
assign (resid 35 and name HB# ) (resid 35 and name HN ) 2.5 0.7 0.9 ! A.4 at 1.24e+06
assign (resid 35 and name HN ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.267 at 3.91e+05
assign (resid 35 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.9 ! A.271 at 1.05e+06
! C36
assign (resid 36 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.270 at 1.06e+06
assign (resid 36 and name HB# ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.487 at 4.17e+05
assign (resid 36 and name HA ) (resid 40 and name HD* ) 4.0 2.2 2.0 ! B.163
! G37
assign (resid 37 and name HA# ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.486 at 9.27e+05
assign (resid 37 and name HA# ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.274 at 4.13e+05
assign (resid 37 and name HN ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.7 at 3.61e+05
assign (resid 37 and name HN ) (resid 39 and name HN ) 4.0 2.2 2.0 ! A.569 at 1.91e+05
! L38
assign (resid 38 and name HN ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.6 at 5.80e+05
assign (resid 38 and name HA ) (resid 38 and name HD2#) 2.5 0.7 0.7 ! B.180 at 4.44e+05
assign (resid 38 and name HN ) (resid 38 and name HG ) 2.5 0.7 0.4 ! A.9 at 1.57e+06
assign (resid 38 and name HG ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.329 at 5.23e+05
assign (resid 38 and name HB# ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.330 at 3.64e+05
assign (resid 38 and name HD* ) (resid 39 and name HN ) 4.0 2.2 1.5 ! A.331 at 3.37e+05
assign (resid 38 and name HD2# ) (resid 41 and name HE# ) 4.0 2.2 2.0 ! B.181
! F39
assign (resid 39 and name HN ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.16 at 2.90e+05
assign (resid 39 and name HB# ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.335 at 2.36e+05
assign (resid 39 and name HA ) (resid 42 and name HB# ) 4.0 2.2 2.0 ! B.184 at <7.41e4e+05
assign (resid 39 and name HD# ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.572 at 2.82e+05
assign (resid 39 and name HD# ) (resid 45 and name HG2#) 4.0 2.2 2.0 ! A.572 at 2.82e+05
assign (resid 39 and name HE# ) (resid 45 and name HG2#) 4.0 2.2 1.5 ! A.572 at 2.82e+05
assign (resid 39 and name HZ ) (resid 45 and name HG2#) 4.0 2.2 2.0 ! A.572 at 2.82e+05
! L40
assign (resid 40 and name HG ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.418 at 3.63e+05
assign (resid 40 and name HB# ) (resid 40 and name HN ) 2.5 0.7 0.4 ! A.422 at 8.70e+05
assign (resid 40 and name HD1#) (resid 40 and name HA ) 2.5 0.7 0.7 ! B.237 at 1.54e+05
assign (resid 40 and name HD2#) (resid 40 and name HN ) 4.0 2.2 1.5 ! A.418 at 3.64e+05
assign (resid 40 and name HD2#) (resid 41 and name HN ) 4.0 2.2 1.5 ! A.415 at 2.48e+05
assign (resid 40 and name HN ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.21 at 3.83e+05
assign (resid 40 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.42 at 3.55e+05
assign (resid 40 and name HD1#) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.283 at 4.12e+05
assign (resid 40 and name HD1#) (resid 45 and name HN ) 3.0 1.2 1.0 ! A.403 at 8.25e+05
assign (resid 40 and name HD1#) (resid 45 and name HA ) 4.0 2.2 2.0 ! B.107 at 1.13e+05
assign (resid 40 and name HD* ) (resid 46 and name HA ) 3.0 1.2 0.8 ! A.583 at 1.26e+05
assign (resid 40 and name HD* ) (resid 46 and name HN ) 4.0 2.2 2.0 ! A.627
assign (resid 40 and name HD* ) (resid 46 and name HG1#) 4.0 2.2 2.0 ! A.166 at 1.70e+05
assign (resid 40 and name HD* ) (resid 49 and name HD* ) 3.0 1.2 0.8 ! B.165 at 3.03e+05
! K41
assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.412 at 1.49e+06
assign (resid 41 and name HN ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.277 at 5.24e+05
assign (resid 41 and name HN ) (resid 42 and name HG ) 4.0 2.2 1.0 ! A.571
assign (resid 41 and name HB# ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.30 at 5.42e+05
! L42
assign (resid 42 and name HN ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.25 at 5.95e+05
assign (resid 42 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.37 at 3.98e+05
assign (resid 42 and name HB# ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.282 at 4.44e+05
! H43
assign (resid 43 and name HN ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.33 at 8.95e+05
assign (resid 43 and name HB# ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.504 at 1.99e+05
assign (resid 43 and name HN ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.50 at 2.52e+05
assign (resid 43 and name HA ) (resid 45 and name HG2# ) 3.0 1.2 0.8 ! B.216 at 1.32e+05
assign (resid 43 and name HB# ) (resid 45 and name HG2# ) 3.0 1.2 0.8 ! A.84 at 1.23e+05
assign (resid 43 and name HB# ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.84 at 4.98e+05
assign (resid 43 and name HN ) (resid 45 and name HG2# ) 4.0 2.2 2.0 ! A.595 at <1.92e+05
! G44
assign (resid 44 and name HN ) (resid 45 and name HN ) 2.5 0.7 0.4 ! A.46 at 6.94e+05
assign (resid 44 and name HA# ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.49 at 3.23e+05
assign (resid 44 and name HN ) (resid 45 and name HG1# ) 4.0 2.2 2.0 ! A.505
! V45
assign (resid 45 and name HA ) (resid 45 and name HG1#) 2.5 0.7 0.7 ! B.197 at 3.50e+05
assign (resid 45 and name HA ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.51 at 1.86e+06
assign (resid 45 and name HB ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.284 at 1.41e+06
! V46
assign (resid 46 and name HG* ) (resid 46 and name HN ) 2.5 0.7 0.9 ! A.53 at 2.06e+06
assign (resid 46 and name HB ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.338 at 4.92e+05
assign (resid 46 and name HG* ) (resid 47 and name HN ) 3.0 1.2 1.0 ! A.402 at 6.59e+05
assign (resid 46 and name HA ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.56 at 1.13e+06
assign (resid 46 and name HA ) (resid 46 and name HG1#) 2.5 0.7 0.7 ! A.81 at 3.59e+05
! R47
assign (resid 47 and name HA ) (resid 48 and name HD# ) 2.5 0.7 0.7 ! B.282
! P48
assign (resid 48 and name HA ) (resid 49 and name HN ) 2.5 0.7 0.4 ! A.59 at 2.39e+06
assign ((resid 48 and name HB#) or (resid 49 and name HG)) (resid 49 and name HN ) 2.5 0.7 0.4 ! A.400 at 3.61e+05
assign ((resid 48 and name HB#) or (resid 49 and name HG)) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.68 at 3.52e+05
assign (resid 48 and name HB# ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.74 at 6.07e+05
assign (resid 48 and name HB# ) (resid 51 and name HD1#) 4.0 2.2 1.5 ! B.111
! L49
assign (resid 49 and name HD2# ) (resid 49 and name HA ) 3.0 1.2 0.8 ! B.238 at 1.59e+05
assign (resid 49 and name HN ) (resid 49 and name HG ) 2.5 0.7 0.4 ! A.398
assign (resid 49 and name HN ) (resid 49 and name HD1# ) 3.0 1.2 1.0 ! A.397
assign (resid 49 and name HN ) (resid 49 and name HD2# ) 3.0 1.2 1.0 ! A.396
assign (resid 49 and name HN ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.57 at 4.64e+05
assign ((resid 49 and name HA) or (resid 50 and name HB#)) (resid 51 and name HN) 3.0 1.2 0.5 ! A.339 at 3.76e+05
assign (resid 49 and name HB# ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.614
assign (resid 49 and name HD* ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.508
assign (resid 49 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.289 at 3.94e+05
assign (resid 49 and name HD1#) (resid 16 and name HD# ) 4.0 2.2 2.0 ! B.225 at 1.05e+05
! S50
assign (resid 50 and name HN ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.73 at 5.84e+05
assign (resid 50 and name HN ) (resid 51 and name HG ) 4.0 2.2 1.0 ! A.507
assign (resid 50 and name HA ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.286 at 3.47e+05
assign (resid 51 and name HD2# ) (resid 50 and name HN ) 4.0 2.2 1.5 ! A.286 at 2.43e+05
! L51
assign (resid 51 and name HB2 ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.76 at 1.93e+06
assign (resid 51 and name HN ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.72 at 8.26e+05
assign (resid 51 and name HD1# ) (resid 52 and name HN ) 4.0 2.2 1.5 ! A.292 at 3.82e+05
assign (resid 51 and name HD2# ) (resid 51 and name HA ) 2.5 0.7 0.7 ! A.292 at 6.10e+05
! K52
assign (resid 52 and name HN ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.80 at 2.91e+05
assign (resid 52 and name HA ) (resid 53 and name HN ) 2.5 0.7 0.4 ! A.82 at 2.04e+06
assign (resid 52 and name HB# ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.511
assign (resid 52 and name HG# ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.509
assign (resid 52 and name HD# ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.510
! T53
assign (resid 53 and name HG2# ) (resid 53 and name HN ) 2.5 0.7 0.9 ! A.394 at 1.05e+06
assign (resid 53 and name HB ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.293 at 6.12e+05
assign (resid 53 and name HG2# ) (resid 54 and name HN ) 4.0 2.2 1.5 ! A.295 at 3.33e+05
assign (resid 53 and name HG2# ) (resid 56 and name HD1#) 3.0 1.2 1.3 ! A.102 at 9.16e+04
assign (resid 53 and name HG2# ) (resid 55 and name HN ) 3.0 1.2 1.0 ! A.102 at 6.37e+05
assign (resid 53 and name HG2# ) (resid 55 and name HB ) 4.0 2.2 1.5 ! B.213
! D54
assign (resid 54 and name HB# ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.392 at 5.25e+05
assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 0.4 ! A.85 at 1.21e+06
assign (resid 54 and name HN ) (resid 55 and name HG*) 4.0 2.2 1.5 !A.391 at 4.11e+05
assign (resid 54 and name HB# ) (resid 55 and name HG* ) 4.0 2.2 1.5 !B.86
! V55
assign (resid 55 and name HB ) (resid 55 and name HN ) 2.5 0.7 0.4 ! A.101 at 1.08e+06
assign ((resid 55 and name HG*) or (resid 56 and name HG2#)) (resid 58 and name HN) 4.0 2.2 1.5 !A.525 at 2.79e+05
assign ((resid 55 and name HG*) or (resid 56 and name HD1#)) (resid 56 and name HN) 3.0 1.2 1.0 !A.389 at 6.90e+05
assign (resid 55 and name HA ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.297 at 3.31e+06
! I56
assign (resid 56 and name HG2#) (resid 57 and name HN ) 2.5 0.7 0.9 !A.386 at 9.86e+05
assign (resid 56 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.109 at 2.54e+06
! K57
assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.524 at 2.71e+05
assign (resid 57 and name HA ) (resid 58 and name HN ) 2.5 0.7 0.4 ! A.112 at 3.17e+06
! K58
assign (resid 58 and name HA ) (resid 59 and name HN ) 2.5 0.7 0.4 ! A.342 at 2.11e+06
assign (resid 58 and name HB# ) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.429
! R59
assign (resid 60 and name HN) ((resid 60 and name HA) or (resid 59 and name HA)) 2.5 0.7 0.4!A.382 at 2.61e+06
assign (resid 59 and name HB# ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.384/A.385
! N60
assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.343 at 2.89e+06
assign (resid 60 and name HB# ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.345 at 5.37e+05
! R61
assign (resid 61 and name HN ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.117 at 4.51e+05
assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.141 at 1.67e+06
! N62
! S63
! A64
! N65
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