NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
547957 | 2lx0 | 18655 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! Ambiguous NOEs assign ((resid 23 and name HE*) or (resid 26 and name HE*)) ((resid 23 and name HD*) or (resid 26 and name HZ)) 2.300 0.500 0.500 ! lengthened - calc dist 1.508 assign ((resid 23 and name HD*) or (resid 26 and name HZ)) ((resid 23 and name HE*) or (resid 26 and name HE*)) 2.300 0.500 0.500 ! lengthened - calc dist 1.585 assign ((resid 14 and name HB*) or (resid 16 and name HG)) ((resid 14 and name HN) or (resid 16 and name HN)) 2.300 0.500 0.500 ! no changes - calc dist 2.291 assign ((resid 14 and name HN) or (resid 16 and name HN)) ((resid 14 and name HB*) or (resid 16 and name HG)) 2.300 0.500 0.500 ! no changes - calc dist 2.336 assign ((resid 25 and name HD**) or (resid 29 and name HD**)) ((resid 28 and name HD*)) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (58 viol avg 0.184) assign ((resid 16 and name HA) or (resid 19 and name HA)) ((resid 16 and name HN) or (resid 19 and name HN)) 2.300 0.500 0.500 ! no changes - calc dist 2.534 assign ((resid 25 and name HD**) or (resid 29 and name HD**)) ((resid 21 and name HE*) or (resid 26 and name HZ)) 2.900 1.100 1.100 ! incr to 4.0 after round 1. (67 viol avg 1.237) assign ((resid 16 and name HN) or (resid 19 and name HN)) ((resid 16 and name HA) or (resid 19 and name HA)) 2.300 0.500 0.500 ! no changes - calc dist 2.618 assign ((resid 28 and name HD*)) ((resid 25 and name HD**) or (resid 29 and name HD**)) 2.900 1.100 1.100 ! incr to 4.0 after round 9. (58 viol avg 0.184) assign ((resid 25 and name HD**) or (resid 29 and name HD**)) ((resid 28 and name HE*)) 2.300 0.500 0.500 ! no changes - calc dist 2.674 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 5 and name HA)) 2.300 0.500 0.500 ! no changes - calc dist 2.720 assign ((resid 18 and name HA) or (resid 23 and name HA)) ((resid 18 and name HD*) or (resid 23 and name HD*)) 2.300 0.500 0.500 ! no changes - calc dist 2.730 assign ((resid 5 and name HA)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 2.300 0.500 0.500 ! no changes - calc dist 2.776 assign ((resid 21 and name HE*) or (resid 26 and name HZ)) ((resid 25 and name HD**) or (resid 29 and name HD**)) 2.900 1.100 1.100 ! no changes - calc dist 2.847 assign ((resid 14 and name HN) or (resid 16 and name HN)) ((resid 13 and name HG**) or (resid 17 and name HG2*)) 2.900 1.100 1.100 ! no changes - calc dist 2.853 assign ((resid 31 and name HE*) or (resid 32 and name HE*)) ((resid 31 and name HD*) or (resid 32 and name HD*)) 2.900 1.100 1.100 ! no changes - calc dist 2.883 assign ((resid 26 and name HA) or (resid 30 and name HA)) ((resid 26 and name HD*)) 2.900 1.100 1.100 ! no changes - calc dist 2.902 assign ((resid 31 and name HD*) or (resid 32 and name HD*)) ((resid 31 and name HE*) or (resid 32 and name HE*)) 2.900 1.100 1.100 ! no changes - calc dist 2.922 assign ((resid 15 and name HN)) ((resid 14 and name HN) or (resid 16 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 2.997 assign ((resid 9 and name HN) or (resid 11 and name HN)) ((resid 10 and name HN) or (resid 12 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 2.997 assign ((resid 25 and name HD**)) ((resid 21 and name HD*) or (resid 24 and name HD1)) 2.900 1.100 1.100 ! no changes - calc dist 3.012 assign ((resid 9 and name HN) or (resid 11 and name HN)) ((resid 10 and name HB*)) 2.900 1.100 1.100 ! no changes - calc dist 3.012 assign ((resid 10 and name HN)) ((resid 9 and name HG1*) or (resid 13 and name HG**)) 2.900 1.100 1.100 ! no changes - calc dist 3.035 assign ((resid 10 and name HN) or (resid 12 and name HN)) ((resid 9 and name HN) or (resid 11 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.043 assign ((resid 13 and name HG**) or (resid 17 and name HG2*)) ((resid 14 and name HN) or (resid 16 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.058 assign ((resid 10 and name HB*)) ((resid 9 and name HG1*) or (resid 13 and name HG**)) 2.900 1.100 1.100 ! no changes - calc dist 3.083 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 12 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.099 assign ((resid 14 and name HN) or (resid 16 and name HN)) ((resid 15 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.099 assign ((resid 9 and name HD1*)) ((resid 5 and name HG2*) or (resid 12 and name HD**)) 3.400 1.600 1.600 ! incr to 5.0 after round 5. (94 viol avg 0.367) assign ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) ((resid 18 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.108 assign ((resid 12 and name HD**)) ((resid 8 and name HA) or (resid 9 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.134 assign ((resid 12 and name HA) or (resid 32 and name HA)) ((resid 12 and name HG) or (resid 32 and name HB*)) 2.900 1.100 1.100 ! no changes - calc dist 3.134 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 12 and name HD**)) 2.900 1.100 1.100 ! no changes - calc dist 3.152 assign ((resid 15 and name HG)) ((resid 16 and name HN) or (resid 19 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.152 assign ((resid 12 and name HN)) ((resid 8 and name HA) or (resid 9 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.161 assign ((resid 10 and name HB*)) ((resid 9 and name HN) or (resid 11 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.209 assign ((resid 12 and name HG) or (resid 32 and name HB*)) ((resid 12 and name HA) or (resid 32 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.219 assign ((resid 9 and name HG1*) or (resid 13 and name HG**)) ((resid 10 and name HB*)) 2.900 1.100 1.100 ! no changes - calc dist 3.219 assign ((resid 18 and name HN)) ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.260 assign ((resid 28 and name HE*)) ((resid 25 and name HD**) or (resid 29 and name HD**)) 2.900 1.100 1.100 ! no changes - calc dist 3.270 assign ((resid 21 and name HD*) or (resid 24 and name HD1)) ((resid 25 and name HD**)) 2.900 1.100 1.100 ! no changes - calc dist 3.270 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 10 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.281 assign ((resid 10 and name HN)) ((resid 8 and name HA) or (resid 9 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.292 assign ((resid 25 and name HD**)) ((resid 21 and name HZ) or (resid 24 and name HE3)) 2.900 1.100 1.100 ! no changes - calc dist 3.292 assign ((resid 14 and name HN) or (resid 16 and name HN)) ((resid 15 and name HD**)) 2.900 1.100 1.100 ! no changes - calc dist 3.292 assign ((resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) ((resid 17 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.338 assign ((resid 26 and name HD*)) ((resid 26 and name HA) or (resid 30 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.350 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 5 and name HG2*) or (resid 12 and name HD**)) 2.900 1.100 1.100 ! no changes - calc dist 3.362 assign ((resid 15 and name HA)) ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.374 assign ((resid 14 and name HN) or (resid 16 and name HN)) ((resid 13 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.412 assign ((resid 13 and name HA)) ((resid 14 and name HN) or (resid 16 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.425 assign ((resid 15 and name HD**)) ((resid 14 and name HN) or (resid 16 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.438 assign ((resid 19 and name HN) or (resid 20 and name HN)) ((resid 21 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.452 assign ((resid 16 and name HA) or (resid 19 and name HA)) ((resid 18 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (95 viol avg 0.302) assign ((resid 21 and name HN)) ((resid 19 and name HN) or (resid 20 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.480 assign ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN)) ((resid 15 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.480 assign ((resid 7 and name HA) or (resid 10 and name HA)) ((resid 9 and name HN) or (resid 11 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.494 assign ((resid 17 and name HN)) ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.509 assign ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) ((resid 17 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.524 assign ((resid 12 and name HB*)) ((resid 8 and name HA) or (resid 9 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.555 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 5 and name HD1*)) 2.900 1.100 1.100 ! no changes - calc dist 3.571 assign ((resid 21 and name HZ) or (resid 24 and name HE3)) ((resid 25 and name HD**)) 2.900 1.100 1.100 ! no changes - calc dist 3.571 assign ((resid 18 and name HN)) ((resid 16 and name HA) or (resid 19 and name HA)) 3.400 1.600 1.600 ! incr to 5.0 after round 6. (95 viol avg 0.302) assign ((resid 25 and name HA)) ((resid 21 and name HZ) or (resid 24 and name HE3)) 2.900 1.100 1.100 ! no changes - calc dist 3.587 assign ((resid 13 and name HA)) ((resid 14 and name HB*) or (resid 16 and name HG)) 2.900 1.100 1.100 ! no changes - calc dist 3.603 assign ((resid 17 and name HA)) ((resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.603 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 12 and name HB*)) 2.900 1.100 1.100 ! no changes - calc dist 3.620 assign ((resid 1 and name HD*) or (resid 2 and name HD*)) ((resid 1 and name HE*) or (resid 2 and name HE*)) 2.900 1.100 1.100 ! no changes - calc dist 3.620 assign ((resid 20 and name HB*)) ((resid 21 and name HD*) or (resid 24 and name HD1)) 2.900 1.100 1.100 ! no changes - calc dist 3.655 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 5 and name HB)) 2.900 1.100 1.100 ! no changes - calc dist 3.673 assign ((resid 5 and name HG1*)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (99 viol avg 0.251) assign ((resid 29 and name HB*) or (resid 30 and name HB*)) ((resid 28 and name HD*) or (resid 31 and name HZ*)) 2.900 1.100 1.100 ! no changes - calc dist 3.692 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 5 and name HA)) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.519) assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 5 and name HA)) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.519) assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 5 and name HA)) 3.400 1.600 1.600 ! incr to 5.0 after round 3. (50 viol avg 0.519) assign ((resid 12 and name HB*)) ((resid 8 and name HA) or (resid 9 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.730 assign ((resid 14 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) ((resid 18 and name HD*) or (resid 21 and name H)) 2.900 1.100 1.100 ! no changes - calc dist 3.750 assign ((resid 12 and name HD**)) ((resid 9 and name HN) or (resid 11 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 7. (50 viol avg 0.224) assign ((resid 24 and name HA) or (resid 26 and name HA)) ((resid 27 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.792 assign ((resid 12 and name HA) or (resid 20 and name HA)) ((resid 13 and name HN) or (resid 24 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.792 assign ((resid 18 and name HA)) ((resid 19 and name HN) or (resid 20 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.792 assign ((resid 4 and name HG2*)) ((resid 3 and name HE1) or (resid 6 and name HD1)) 2.900 1.100 1.100 ! no changes - calc dist 3.835 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 12 and name HB*)) 2.900 1.100 1.100 ! no changes - calc dist 3.881 assign ((resid 25 and name HN)) ((resid 21 and name HZ) or (resid 24 and name HE3)) 2.900 1.100 1.100 ! no changes - calc dist 3.881 assign ((resid 21 and name HZ) or (resid 24 and name HE3)) ((resid 25 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.881 assign ((resid 14 and name HN) or (resid 16 and name HN)) ((resid 13 and name HB)) 2.900 1.100 1.100 ! no changes - calc dist 3.881 assign ((resid 5 and name HD1*)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 2.900 1.100 1.100 ! no changes - calc dist 3.905 assign ((resid 17 and name HB)) ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.930 assign ((resid 22 and name HA*)) ((resid 19 and name HN) or (resid 20 and name HN)) 3.400 1.600 1.600 ! incr to 5.0 after round 9. (61 viol avg 0.352) assign ((resid 26 and name HA) or (resid 30 and name HA)) ((resid 29 and name HN)) 2.900 1.100 1.100 ! no changes - calc dist 3.956 assign ((resid 13 and name HN) or (resid 24 and name HN)) ((resid 12 and name HA) or (resid 20 and name HA)) 2.900 1.100 1.100 ! no changes - calc dist 3.982 assign ((resid 21 and name HD*) or (resid 24 and name HD1)) ((resid 20 and name HB*)) 2.900 1.100 1.100 ! no changes - calc dist 3.982 assign ((resid 27 and name HN)) ((resid 24 and name HA) or (resid 26 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.010 assign ((resid 13 and name HB)) ((resid 14 and name HB*) or (resid 16 and name HG)) 3.400 1.600 1.600 ! no changes - calc dist 4.038 assign ((resid 13 and name HB)) ((resid 14 and name HB*) or (resid 16 and name HG)) 3.400 1.600 1.600 ! no changes - calc dist 4.038 assign ((resid 13 and name HB)) ((resid 14 and name HB*) or (resid 16 and name HG)) 3.400 1.600 1.600 ! no changes - calc dist 4.038 assign ((resid 19 and name HN) or (resid 20 and name HN)) ((resid 22 and name HA*)) 3.400 1.600 1.600 ! no changes - calc dist 4.038 assign ((resid 27 and name HG*)) ((resid 23 and name HD*) or (resid 26 and name HZ)) 3.400 1.600 1.600 ! no changes - calc dist 4.038 assign ((resid 5 and name HA)) ((resid 8 and name HA) or (resid 9 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.067 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 12 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.067 assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 12 and name HG)) 3.400 1.600 1.600 ! no changes - calc dist 4.067 assign ((resid 12 and name HA)) ((resid 8 and name HA) or (resid 9 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.129 assign ((resid 21 and name HZ) or (resid 24 and name HE3)) ((resid 25 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.129 assign ((resid 24 and name HA) or (resid 26 and name HA)) ((resid 27 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.161 assign ((resid 18 and name HD*) or (resid 23 and name HD*)) ((resid 18 and name HA) or (resid 23 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.161 assign ((resid 24 and name HA) or (resid 26 and name HA)) ((resid 27 and name HG*)) 3.400 1.600 1.600 ! no changes - calc dist 4.195 assign ((resid 29 and name HN)) ((resid 26 and name HA) or (resid 30 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.195 assign ((resid 27 and name HG*)) ((resid 24 and name HA) or (resid 26 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.230 assign ((resid 18 and name HA) or (resid 23 and name HA)) ((resid 22 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.230 assign ((resid 18 and name HD*) or (resid 21 and name HE*)) ((resid 14 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.230 assign ((resid 29 and name HB*) or (resid 30 and name HB*)) ((resid 28 and name HE*)) 3.400 1.600 1.600 ! no changes - calc dist 4.267 assign ((resid 25 and name HG) or (resid 31 and name HD*)) ((resid 29 and name HB*) or (resid 30 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.267 assign ((resid 12 and name HB*)) ((resid 9 and name HN) or (resid 11 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.267 assign ((resid 27 and name HB*)) ((resid 24 and name HA) or (resid 26 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.267 assign ((resid 29 and name HB*) or (resid 30 and name HB*)) ((resid 25 and name HG) or (resid 31 and name HD*)) 3.400 1.600 1.600 ! no changes - calc dist 4.305 assign ((resid 15 and name HG) or (resid 25 and name HB*)) ((resid 18 and name HD*) or (resid 21 and name HE*) or (resid 26 and name HZ)) 3.400 1.600 1.600 ! no changes - calc dist 4.346 assign ((resid 3 and name HB*)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 3.400 1.600 1.600 ! no changes - calc dist 4.346 assign ((resid 22 and name HA*)) ((resid 18 and name HD*) or (resid 23 and name HD*)) 3.400 1.600 1.600 ! no changes - calc dist 4.346 assign ((resid 28 and name HD*) or (resid 31 and name HZ*)) ((resid 29 and name HB*) or (resid 30 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.432 assign ((resid 25 and name HG) or (resid 31 and name HD*)) ((resid 28 and name HE*)) 3.400 1.600 1.600 ! no changes - calc dist 4.478 assign ((resid 14 and name HB*) or (resid 16 and name HG)) ((resid 13 and name HB)) 3.400 1.600 1.600 ! no changes - calc dist 4.478 assign ((resid 19 and name HN) or (resid 20 and name HN)) ((resid 21 and name HD*) or (resid 24 and name HD1)) 3.400 1.600 1.600 ! no changes - calc dist 4.527 assign ((resid 12 and name HB*)) ((resid 9 and name HN) or (resid 11 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.527 assign ((resid 12 and name HA)) ((resid 9 and name HN) or (resid 11 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.527 assign ((resid 9 and name HD1*)) ((resid 5 and name HB) or (resid 12 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.579 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 6 and name HE3)) 3.400 1.600 1.600 ! no changes - calc dist 4.634 assign ((resid 25 and name HG)) ((resid 21 and name HZ) or (resid 24 and name HE3)) 3.400 1.600 1.600 ! no changes - calc dist 4.634 assign ((resid 19 and name HN) or (resid 20 and name HN)) ((resid 18 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.634 assign ((resid 3 and name HB*)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 3.400 1.600 1.600 ! no changes - calc dist 4.634 assign ((resid 14 and name HN) or (resid 16 and name HN) or (resid 19 and name HN) or (resid 20 and name HN)) ((resid 17 and name HB)) 3.400 1.600 1.600 ! no changes - calc dist 4.634 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 3 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.692 assign ((resid 9 and name HN) or (resid 11 and name HN)) ((resid 12 and name HA)) 3.400 1.600 1.600 ! no changes - calc dist 4.692 assign ((resid 23 and name HD*) or (resid 26 and name HZ)) ((resid 27 and name HG*)) 3.400 1.600 1.600 ! no changes - calc dist 4.692 assign ((resid 25 and name HG)) ((resid 21 and name HD*) or (resid 24 and name HD1)) 3.900 2.100 2.100 ! incr to 6.0 after round 1. (54 viol avg 0.714) assign ((resid 14 and name HN) or (resid 19 and name HN)) ((resid 18 and name HE*)) 3.900 2.100 2.100 ! incr to 6.0 after round 1. (90 viol avg 0.794) assign ((resid 17 and name HB)) ((resid 18 and name HD*) or (resid 21 and name HE*)) 3.900 2.100 2.100 ! incr to 6.0 after round 1. (91 viol avg 0.875) assign ((resid 18 and name HA) or (resid 23 and name HA)) ((resid 22 and name HA*)) 3.400 1.600 1.600 ! no changes - calc dist 4.821 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 3 and name HB*)) 3.400 1.600 1.600 ! no changes - calc dist 4.893 assign ((resid 17 and name HA)) ((resid 18 and name HD*) or (resid 21 and name HE*)) 3.400 1.600 1.600 ! no changes - calc dist 4.893 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 6 and name HN)) 3.400 1.600 1.600 ! no changes - calc dist 4.971 assign ((resid 25 and name HD**) or (resid 29 and name HD**)) ((resid 27 and name HN)) 3.900 2.100 2.100 ! incr to 6.0 after round 4. (43 viol avg 0.518) assign ((resid 5 and name HN)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 3.400 1.600 1.600 ! no changes - calc dist 4.971 ! assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 6 and name HD1)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 1 assign ((resid 27 and name HN)) ((resid 25 and name HD**) or (resid 29 and name HD**)) 3.900 2.100 2.100 ! no changes - calc dist 5.055 assign ((resid 21 and name HZ) or (resid 24 and name HE3)) ((resid 25 and name HG)) 3.900 2.100 2.100 ! no changes - calc dist 5.055 assign ((resid 18 and name HD*) or (resid 21 and name HE*) or (resid 26 and name HZ)) ((resid 15 and name HG) or (resid 25 and name HB*)) 3.900 2.100 2.100 ! no changes - calc dist 5.055 assign ((resid 28 and name HB*)) ((resid 24 and name HA) or (resid 26 and name HA)) 3.900 2.100 2.100 ! no changes - calc dist 5.147 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 5 and name HN)) 3.900 2.100 2.100 ! no changes - calc dist 5.147 assign ((resid 27 and name HN)) ((resid 23 and name HD*) or (resid 26 and name HZ)) 3.900 2.100 2.100 ! no changes - calc dist 5.147 assign ((resid 27 and name HG*)) ((resid 29 and name HB*) or (resid 30 and name HB*)) 3.900 2.100 2.100 ! no changes - calc dist 5.147 assign ((resid 27 and name HE*)) ((resid 23 and name HD*) or (resid 26 and name HZ)) 3.900 2.100 2.100 ! no changes - calc dist 5.147 ! assign ((resid 26 and name HA) or (resid 30 and name HA)) ((resid 28 and name HE*)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 1 assign ((resid 23 and name HD*) or (resid 26 and name HZ)) ((resid 27 and name HN)) 3.900 2.100 2.100 ! no changes - calc dist 5.147 assign ((resid 23 and name HD*) or (resid 26 and name HZ)) ((resid 27 and name HB*)) 3.900 2.100 2.100 ! no changes - calc dist 5.147 ! assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 6 and name HE3)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 2 assign ((resid 8 and name HG**) or (resid 9 and name HG1*)) ((resid 3 and name HD2)) 3.900 2.100 2.100 ! no changes - calc dist 5.249 assign ((resid 4 and name HA)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 3.900 2.100 2.100 ! no changes - calc dist 5.249 assign ((resid 27 and name HE*)) ((resid 23 and name HD*) or (resid 26 and name HZ)) 3.900 2.100 2.100 ! no changes - calc dist 5.249 assign ((resid 28 and name HE*)) ((resid 25 and name HG) or (resid 31 and name HD*)) 3.900 2.100 2.100 ! no changes - calc dist 5.362 assign ((resid 24 and name HN)) ((resid 23 and name HE*) or (resid 27 and name HZ*)) 3.900 2.100 2.100 ! no changes - calc dist 5.362 ! assign ((resid 6 and name HE3)) ((resid 8 and name HA) or (resid 9 and name HA)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 2 assign ((resid 28 and name HB*)) ((resid 24 and name HA) or (resid 26 and name HA)) 3.900 2.100 2.100 ! no changes - calc dist 5.489 assign ((resid 3 and name HD2)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 3.900 2.100 2.100 ! no changes - calc dist 5.489 ! assign ((resid 3 and name HA)) ((resid 8 and name HG**) or (resid 9 and name HG1*)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 11 assign ((resid 18 and name HE*)) ((resid 14 and name HN) or (resid 19 and name HN)) 3.900 2.100 2.100 ! no changes - calc dist 5.634 ! assign ((resid 6 and name HN)) ((resid 8 and name HA) or (resid 9 and name HA)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 9 assign ((resid 28 and name HE*)) ((resid 29 and name HB*) or (resid 30 and name HB*)) 3.900 2.100 2.100 ! no changes - calc dist 5.802 assign ((resid 24 and name HA) or (resid 26 and name HA)) ((resid 28 and name HB*)) 3.900 2.100 2.100 ! no changes - calc dist 5.802 assign ((resid 29 and name HB*) or (resid 30 and name HB*)) ((resid 28 and name HB*)) 3.900 2.100 2.100 ! no changes - calc dist 5.802 ! assign ((resid 8 and name HA) or (resid 9 and name HA)) ((resid 6 and name HN)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 9 assign ((resid 28 and name HB*)) ((resid 29 and name HB*) or (resid 30 and name HB*)) 3.900 2.100 2.100 ! shortened - calc dist 6.000 assign ((resid 24 and name HA) or (resid 26 and name HA)) ((resid 28 and name HB*)) 3.900 2.100 2.100 ! shortened - calc dist 6.000 assign ((resid 23 and name HE*) or (resid 27 and name HZ*)) ((resid 24 and name HN)) 3.900 2.100 2.100 ! shortened - calc dist 6.000 ! assign ((resid 26 and name HN)) ((resid 20 and name HA)) 3.900 2.100 2.100 ! incr to 6.0 after round 1. (63 viol avg 0.984) ! not like an ambiguous noe ! assign ((resid 20 and name HA)) ((resid 26 and name HN)) 3.900 2.100 2.100 ! incr to 6.0 after round 1. (63 viol avg 0.984) ! not like an ambiguous noe ! assign ((resid 26 and name HB*)) ((resid 20 and name HA)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 1 ! assign ((resid 29 and name HB*)) ((resid 23 and name HB*)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 1 ! assign ((resid 31 and name HN)) ((resid 25 and name HB*)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 1 ! assign ((resid 25 and name HB*)) ((resid 31 and name HN)) 3.900 2.100 2.100 ! could be commented out due to major violation after round 1
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