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 |
|
|
648541 |
6xxa   |
34484 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
# Restraints file 1: dihedrals.tbl ! Torsion angle restraints ! All sugar puckers qualitative from E.COSY and canonical coordinates ! nu0 (broad definition based on CCR and 3J coupling data 3 ? 22 or -21 ? 22) assign (resid 1 and name C4') (resid 1 and name O4') (resid 1 and name C1') (resid 1 and name C2') 1 3 35 2 assign (resid 2 and name C4') (resid 2 and name O4') (resid 2 and name C1') (resid 2 and name C2') 1 3 35 2 assign (resid 3 and name C4') (resid 3 and name O4') (resid 3 and name C1') (resid 3 and name C2') 1 3 35 2 assign (resid 4 and name C4') (resid 4 and name O4') (resid 4 and name C1') (resid 4 and name C2') 1 3 35 2 assign (resid 5 and name C4') (resid 5 and name O4') (resid 5 and name C1') (resid 5 and name C2') 1 3 35 2 assign (resid 6 and name C4') (resid 6 and name O4') (resid 6 and name C1') (resid 6 and name C2') 1 3 35 2 assign (resid 7 and name C4') (resid 7 and name O4') (resid 7 and name C1') (resid 7 and name C2') 1 3 35 2 assign (resid 8 and name C4') (resid 8 and name O4') (resid 8 and name C1') (resid 8 and name C2') 1 3 35 2 assign (resid 9 and name C4') (resid 9 and name O4') (resid 9 and name C1') (resid 9 and name C2') 1 -20 35 2 assign (resid 10 and name C4') (resid 10 and name O4') (resid 10 and name C1') (resid 10 and name C2') 1 -20 35 2 assign (resid 11 and name C4') (resid 11 and name O4') (resid 11 and name C1') (resid 11 and name C2') 1 -20 35 2 assign (resid 12 and name C4') (resid 12 and name O4') (resid 12 and name C1') (resid 12 and name C2') 1 -20 35 2 assign (resid 13 and name C4') (resid 13 and name O4') (resid 13 and name C1') (resid 13 and name C2') 1 -20 35 2 assign (resid 14 and name C4') (resid 14 and name O4') (resid 14 and name C1') (resid 14 and name C2') 1 3 35 2 assign (resid 15 and name C4') (resid 15 and name O4') (resid 15 and name C1') (resid 15 and name C2') 1 3 35 2 assign (resid 16 and name C4') (resid 16 and name O4') (resid 16 and name C1') (resid 16 and name C2') 1 3 35 2 assign (resid 17 and name C4') (resid 17 and name O4') (resid 17 and name C1') (resid 17 and name C2') 1 3 35 2 assign (resid 18 and name C4') (resid 18 and name O4') (resid 18 and name C1') (resid 18 and name C2') 1 3 35 2 assign (resid 19 and name C4') (resid 19 and name O4') (resid 19 and name C1') (resid 19 and name C2') 1 3 35 2 assign (resid 20 and name C4') (resid 20 and name O4') (resid 20 and name C1') (resid 20 and name C2') 1 3 35 2 assign (resid 21 and name C4') (resid 21 and name O4') (resid 21 and name C1') (resid 21 and name C2') 1 3 35 2 ! ! nu1 (broad definition based on CCR and 3J coupling data -25 ? 20 or 35 ? 16) assign (resid 1 and name O4') (resid 1 and name C1') (resid 1 and name C2') (resid 1 and name C3') 1 -25 35 2 assign (resid 2 and name O4') (resid 2 and name C1') (resid 2 and name C2') (resid 2 and name C3') 1 -25 35 2 assign (resid 3 and name O4') (resid 3 and name C1') (resid 3 and name C2') (resid 3 and name C3') 1 -25 35 2 assign (resid 4 and name O4') (resid 4 and name C1') (resid 4 and name C2') (resid 4 and name C3') 1 -25 35 2 assign (resid 5 and name O4') (resid 5 and name C1') (resid 5 and name C2') (resid 5 and name C3') 1 -25 35 2 assign (resid 6 and name O4') (resid 6 and name C1') (resid 6 and name C2') (resid 6 and name C3') 1 -25 35 2 assign (resid 7 and name O4') (resid 7 and name C1') (resid 7 and name C2') (resid 7 and name C3') 1 -25 35 2 assign (resid 8 and name O4') (resid 8 and name C1') (resid 8 and name C2') (resid 8 and name C3') 1 -25 35 2 assign (resid 9 and name O4') (resid 9 and name C1') (resid 9 and name C2') (resid 9 and name C3') 1 35 35 2 assign (resid 10 and name O4') (resid 10 and name C1') (resid 10 and name C2') (resid 10 and name C3') 1 35 35 2 assign (resid 11 and name O4') (resid 11 and name C1') (resid 11 and name C2') (resid 11 and name C3') 1 35 35 2 assign (resid 12 and name O4') (resid 12 and name C1') (resid 12 and name C2') (resid 12 and name C3') 1 35 35 2 assign (resid 13 and name O4') (resid 13 and name C1') (resid 13 and name C2') (resid 13 and name C3') 1 35 35 2 assign (resid 14 and name O4') (resid 14 and name C1') (resid 14 and name C2') (resid 14 and name C3') 1 -25 35 2 assign (resid 15 and name O4') (resid 15 and name C1') (resid 15 and name C2') (resid 15 and name C3') 1 -25 35 2 assign (resid 16 and name O4') (resid 16 and name C1') (resid 16 and name C2') (resid 16 and name C3') 1 -25 35 2 assign (resid 17 and name O4') (resid 17 and name C1') (resid 17 and name C2') (resid 17 and name C3') 1 -25 35 2 assign (resid 18 and name O4') (resid 18 and name C1') (resid 18 and name C2') (resid 18 and name C3') 1 -25 35 2 assign (resid 19 and name O4') (resid 19 and name C1') (resid 19 and name C2') (resid 19 and name C3') 1 -25 35 2 assign (resid 20 and name O4') (resid 20 and name C1') (resid 20 and name C2') (resid 20 and name C3') 1 -25 35 2 assign (resid 21 and name O4') (resid 21 and name C1') (resid 21 and name C2') (resid 21 and name C3') 1 -25 35 2 ! ! nu2 (broad definition based on CCR and 3J coupling data 36 ? 14 or -35 ? 15) assign (resid 1 and name C1') (resid 1 and name C2') (resid 1 and name C3') (resid 1 and name C4') 1 36 35 2 assign (resid 2 and name C1') (resid 2 and name C2') (resid 2 and name C3') (resid 2 and name C4') 1 36 35 2 assign (resid 3 and name C1') (resid 3 and name C2') (resid 3 and name C3') (resid 3 and name C4') 1 36 35 2 assign (resid 4 and name C1') (resid 4 and name C2') (resid 4 and name C3') (resid 4 and name C4') 1 36 35 2 assign (resid 5 and name C1') (resid 5 and name C2') (resid 5 and name C3') (resid 5 and name C4') 1 36 35 2 assign (resid 6 and name C1') (resid 6 and name C2') (resid 6 and name C3') (resid 6 and name C4') 1 36 35 2 assign (resid 7 and name C1') (resid 7 and name C2') (resid 7 and name C3') (resid 7 and name C4') 1 36 35 2 assign (resid 8 and name C1') (resid 8 and name C2') (resid 8 and name C3') (resid 8 and name C4') 1 36 35 2 assign (resid 9 and name C1') (resid 9 and name C2') (resid 9 and name C3') (resid 9 and name C4') 1 -36 35 2 assign (resid 10 and name C1') (resid 10 and name C2') (resid 10 and name C3') (resid 10 and name C4') 1 -36 35 2 assign (resid 11 and name C1') (resid 11 and name C2') (resid 11 and name C3') (resid 11 and name C4') 1 -36 35 2 assign (resid 12 and name C1') (resid 12 and name C2') (resid 12 and name C3') (resid 12 and name C4') 1 -36 35 2 assign (resid 13 and name C1') (resid 13 and name C2') (resid 13 and name C3') (resid 13 and name C4') 1 -36 35 2 assign (resid 14 and name C1') (resid 14 and name C2') (resid 14 and name C3') (resid 14 and name C4') 1 36 35 2 assign (resid 15 and name C1') (resid 15 and name C2') (resid 15 and name C3') (resid 15 and name C4') 1 36 35 2 assign (resid 16 and name C1') (resid 16 and name C2') (resid 16 and name C3') (resid 16 and name C4') 1 36 35 2 assign (resid 17 and name C1') (resid 17 and name C2') (resid 17 and name C3') (resid 17 and name C4') 1 36 35 2 assign (resid 18 and name C1') (resid 18 and name C2') (resid 18 and name C3') (resid 18 and name C4') 1 36 35 2 assign (resid 19 and name C1') (resid 19 and name C2') (resid 19 and name C3') (resid 19 and name C4') 1 36 35 2 assign (resid 20 and name C1') (resid 20 and name C2') (resid 20 and name C3') (resid 20 and name C4') 1 36 35 2 assign (resid 21 and name C1') (resid 21 and name C2') (resid 21 and name C3') (resid 21 and name C4') 1 36 35 2 ! ! nu3 (broad definition based on CCR and 3J coupling data -35 ? 15 or 24 ? 23) assign (resid 1 and name C2') (resid 1 and name C3') (resid 1 and name C4') (resid 1 and name O4') 1 -35 35 2 assign (resid 2 and name C2') (resid 2 and name C3') (resid 2 and name C4') (resid 2 and name O4') 1 -35 35 2 assign (resid 3 and name C2') (resid 3 and name C3') (resid 3 and name C4') (resid 3 and name O4') 1 -35 35 2 assign (resid 4 and name C2') (resid 4 and name C3') (resid 4 and name C4') (resid 4 and name O4') 1 -35 35 2 assign (resid 5 and name C2') (resid 5 and name C3') (resid 5 and name C4') (resid 5 and name O4') 1 -35 35 2 assign (resid 6 and name C2') (resid 6 and name C3') (resid 6 and name C4') (resid 6 and name O4') 1 -35 35 2 assign (resid 7 and name C2') (resid 7 and name C3') (resid 7 and name C4') (resid 7 and name O4') 1 -35 35 2 assign (resid 8 and name C2') (resid 8 and name C3') (resid 8 and name C4') (resid 8 and name O4') 1 -35 35 2 assign (resid 9 and name C2') (resid 9 and name C3') (resid 9 and name C4') (resid 9 and name O4') 1 24 35 2 assign (resid 10 and name C2') (resid 10 and name C3') (resid 10 and name C4') (resid 10 and name O4') 1 24 35 2 assign (resid 11 and name C2') (resid 11 and name C3') (resid 11 and name C4') (resid 11 and name O4') 1 24 35 2 assign (resid 12 and name C2') (resid 12 and name C3') (resid 12 and name C4') (resid 12 and name O4') 1 24 35 2 assign (resid 13 and name C2') (resid 13 and name C3') (resid 13 and name C4') (resid 13 and name O4') 1 24 35 2 assign (resid 14 and name C2') (resid 14 and name C3') (resid 14 and name C4') (resid 14 and name O4') 1 -35 35 2 assign (resid 15 and name C2') (resid 15 and name C3') (resid 15 and name C4') (resid 15 and name O4') 1 -35 35 2 assign (resid 16 and name C2') (resid 16 and name C3') (resid 16 and name C4') (resid 16 and name O4') 1 -35 35 2 assign (resid 17 and name C2') (resid 17 and name C3') (resid 17 and name C4') (resid 17 and name O4') 1 -35 35 2 assign (resid 18 and name C2') (resid 18 and name C3') (resid 18 and name C4') (resid 18 and name O4') 1 -35 35 2 assign (resid 19 and name C2') (resid 19 and name C3') (resid 19 and name C4') (resid 19 and name O4') 1 -35 35 2 assign (resid 20 and name C2') (resid 20 and name C3') (resid 20 and name C4') (resid 20 and name O4') 1 -35 35 2 assign (resid 21 and name C2') (resid 21 and name C3') (resid 21 and name C4') (resid 21 and name O4') 1 -35 35 2 ! ! nu4 (broad definition based on CCR and 3J coupling data 20 ? 23 or -2 ? 25) assign (resid 1 and name C3') (resid 1 and name C4') (resid 1 and name O4') (resid 1 and name C1') 1 20 35 2 assign (resid 2 and name C3') (resid 2 and name C4') (resid 2 and name O4') (resid 2 and name C1') 1 20 35 2 assign (resid 3 and name C3') (resid 3 and name C4') (resid 3 and name O4') (resid 3 and name C1') 1 20 35 2 assign (resid 4 and name C3') (resid 4 and name C4') (resid 4 and name O4') (resid 4 and name C1') 1 20 35 2 assign (resid 5 and name C3') (resid 5 and name C4') (resid 5 and name O4') (resid 5 and name C1') 1 20 35 2 assign (resid 6 and name C3') (resid 6 and name C4') (resid 6 and name O4') (resid 6 and name C1') 1 20 35 2 assign (resid 7 and name C3') (resid 7 and name C4') (resid 7 and name O4') (resid 7 and name C1') 1 20 35 2 assign (resid 8 and name C3') (resid 8 and name C4') (resid 8 and name O4') (resid 8 and name C1') 1 20 35 2 assign (resid 9 and name C3') (resid 9 and name C4') (resid 9 and name O4') (resid 9 and name C1') 1 -2 35 2 assign (resid 10 and name C3') (resid 10 and name C4') (resid 10 and name O4') (resid 10 and name C1') 1 -2 35 2 assign (resid 11 and name C3') (resid 11 and name C4') (resid 11 and name O4') (resid 11 and name C1') 1 -2 35 2 assign (resid 12 and name C3') (resid 12 and name C4') (resid 12 and name O4') (resid 12 and name C1') 1 -2 35 2 assign (resid 13 and name C3') (resid 13 and name C4') (resid 13 and name O4') (resid 13 and name C1') 1 -2 35 2 assign (resid 14 and name C3') (resid 14 and name C4') (resid 14 and name O4') (resid 14 and name C1') 1 20 35 2 assign (resid 15 and name C3') (resid 15 and name C4') (resid 15 and name O4') (resid 15 and name C1') 1 20 35 2 assign (resid 16 and name C3') (resid 16 and name C4') (resid 16 and name O4') (resid 16 and name C1') 1 20 35 2 assign (resid 17 and name C3') (resid 17 and name C4') (resid 17 and name O4') (resid 17 and name C1') 1 20 35 2 assign (resid 18 and name C3') (resid 18 and name C4') (resid 18 and name O4') (resid 18 and name C1') 1 20 35 2 assign (resid 19 and name C3') (resid 19 and name C4') (resid 19 and name O4') (resid 19 and name C1') 1 20 35 2 assign (resid 20 and name C3') (resid 20 and name C4') (resid 20 and name O4') (resid 20 and name C1') 1 20 35 2 assign (resid 21 and name C3') (resid 21 and name C4') (resid 21 and name O4') (resid 21 and name C1') 1 20 35 2 ! ! phi12 (from CCR) OLD VALUES from 14 mer do not use!!! !assign (resid 2 and name H1') (resid 2 and name C1') (resid 2 and name C2') (resid 2 and name H2') 1 80.4 25 2 !assign (resid 3 and name H1') (resid 3 and name C1') (resid 3 and name C2') (resid 3 and name H2') 1 88.9 15 2 !assign (resid 4 and name H1') (resid 4 and name C1') (resid 4 and name C2') (resid 4 and name H2') 1 85.1 15 2 !assign (resid 5 and name H1') (resid 5 and name C1') (resid 5 and name C2') (resid 5 and name H2') 1 99.4 10 2 !assign (resid 6 and name H1') (resid 6 and name C1') (resid 6 and name C2') (resid 6 and name H2') 1 106.7 10 2 !assign (resid 7 and name H1') (resid 7 and name C1') (resid 7 and name C2') (resid 7 and name H2') 1 165.1 10 2 !assign (resid 8 and name H1') (resid 8 and name C1') (resid 8 and name C2') (resid 8 and name H2') 1 180.0 25 2 !assign (resid 9 and name H1') (resid 9 and name C1') (resid 9 and name C2') (resid 9 and name H2') 1 90.0 15 2 !assign (resid 11 and name H1') (resid 11 and name C1') (resid 11 and name C2') (resid 11 and name H2') 1 88.9 15 2 !assign (resid 12 and name H1') (resid 12 and name C1') (resid 12 and name C2') (resid 12 and name H2') 1 80.4 25 2 !assign (resid 13 and name H1') (resid 13 and name C1') (resid 13 and name C2') (resid 13 and name H2') 1 99.6 10 2 !assign (resid 14 and name H1') (resid 14 and name C1') (resid 14 and name C2') (resid 14 and name H2') 1 106.2 10 2 ! ! phi34 (from CCR) OLD VALUES!!! !assign (resid 2 and name H3') (resid 2 and name C3') (resid 2 and name C4') (resid 2 and name H4') 1 -152.7 10 2 !assign (resid 3 and name H3') (resid 3 and name C3') (resid 3 and name C4') (resid 3 and name H4') 1 -160.9 10 2 !assign (resid 4 and name H3') (resid 4 and name C3') (resid 4 and name C4') (resid 4 and name H4') 1 -154.3 10 2 !assign (resid 6 and name H3') (resid 6 and name C3') (resid 6 and name C4') (resid 6 and name H4') 1 -157.4 10 2 !assign (resid 7 and name H3') (resid 7 and name C3') (resid 7 and name C4') (resid 7 and name H4') 1 -109.2 10 2 !assign (resid 8 and name H3') (resid 8 and name C3') (resid 8 and name C4') (resid 8 and name H4') 1 -98.9 15 2 !assign (resid 9 and name H3') (resid 9 and name C3') (resid 9 and name C4') (resid 9 and name H4') 1 -152.9 10 2 !assign (resid 11 and name H3') (resid 11 and name C3') (resid 11 and name C4') (resid 11 and name H4') 1 -150.4 10 2 ! ! chi (from gHCN) assign (resid 1 and name O4') (resid 1 and name C1') (resid 1 and name N9) (resid 1 and name C4) 1 -160.0 30 2 assign (resid 2 and name O4') (resid 2 and name C1') (resid 2 and name N9) (resid 2 and name C4) 1 -160.0 30 2 assign (resid 3 and name O4') (resid 3 and name C1') (resid 3 and name N1) (resid 3 and name C2) 1 -165.0 20 2 assign (resid 4 and name O4') (resid 4 and name C1') (resid 4 and name N9) (resid 4 and name C4) 1 -167.0 20 2 assign (resid 5 and name O4') (resid 5 and name C1') (resid 5 and name N1) (resid 5 and name C2) 1 -164.0 20 2 assign (resid 6 and name O4') (resid 6 and name C1') (resid 6 and name N1) (resid 6 and name C2) 1 -164.0 20 2 assign (resid 7 and name O4') (resid 7 and name C1') (resid 7 and name N1) (resid 7 and name C2) 1 -157.0 20 2 assign (resid 8 and name O4') (resid 8 and name C1') (resid 8 and name N1) (resid 8 and name C2) 1 -158.0 20 2 assign (resid 9 and name O4') (resid 9 and name C1') (resid 9 and name N1) (resid 9 and name C2) 1 -154.0 20 2 assign (resid 10 and name O4') (resid 10 and name C1') (resid 10 and name N9) (resid 10 and name C4) 1 -160.0 20 2 assign (resid 11 and name O4') (resid 11 and name C1') (resid 11 and name N1) (resid 11 and name C2) 1 -155.0 20 2 assign (resid 12 and name O4') (resid 12 and name C1') (resid 12 and name N9) (resid 12 and name C4) 1 -145.0 20 2 assign (resid 13 and name O4') (resid 13 and name C1') (resid 13 and name N1) (resid 13 and name C2) 1 -151.0 20 2 assign (resid 14 and name O4') (resid 14 and name C1') (resid 14 and name N1) (resid 14 and name C2) 1 -167.0 20 2 assign (resid 15 and name O4') (resid 15 and name C1') (resid 15 and name N1) (resid 15 and name C2) 1 -164.0 20 2 assign (resid 16 and name O4') (resid 16 and name C1') (resid 16 and name N1) (resid 16 and name C2) 1 -169.0 20 2 assign (resid 17 and name O4') (resid 17 and name C1') (resid 17 and name N1) (resid 17 and name C2) 1 -173.0 20 2 assign (resid 18 and name O4') (resid 18 and name C1') (resid 18 and name N1) (resid 18 and name C2) 1 -158.0 20 2 assign (resid 19 and name O4') (resid 19 and name C1') (resid 19 and name N1) (resid 19 and name C2) 1 -165.0 20 2 assign (resid 20 and name O4') (resid 20 and name C1') (resid 20 and name N1) (resid 20 and name C2) 1 -146.0 40 2 assign (resid 21 and name O4') (resid 21 and name C1') (resid 21 and name N1) (resid 21 and name C2) 1 -160.0 30 2 ! ! beta (from qHCP and PFIDS) assign (resid 1 and name P) (resid 1 and name O5') (resid 1 and name C5') (resid 1 and name C4') 1 175 15 2 assign (resid 2 and name P) (resid 2 and name O5') (resid 2 and name C5') (resid 2 and name C4') 1 175 15 2 assign (resid 3 and name P) (resid 3 and name O5') (resid 3 and name C5') (resid 3 and name C4') 1 175 15 2 assign (resid 4 and name P) (resid 4 and name O5') (resid 4 and name C5') (resid 4 and name C4') 1 175 15 2 assign (resid 5 and name P) (resid 5 and name O5') (resid 5 and name C5') (resid 5 and name C4') 1 175 15 2 assign (resid 6 and name P) (resid 6 and name O5') (resid 6 and name C5') (resid 6 and name C4') 1 175 15 2 assign (resid 7 and name P) (resid 7 and name O5') (resid 7 and name C5') (resid 7 and name C4') 1 175 15 2 assign (resid 8 and name P) (resid 8 and name O5') (resid 8 and name C5') (resid 8 and name C4') 1 175 15 2 assign (resid 9 and name P) (resid 9 and name O5') (resid 9 and name C5') (resid 9 and name C4') 1 173 40 2 assign (resid 10 and name P) (resid 10 and name O5') (resid 10 and name C5') (resid 10 and name C4') 1 179 30 2 assign (resid 11 and name P) (resid 11 and name O5') (resid 11 and name C5') (resid 11 and name C4') 1 190 40 2 assign (resid 12 and name P) (resid 12 and name O5') (resid 12 and name C5') (resid 12 and name C4') 1 174 40 2 assign (resid 13 and name P) (resid 13 and name O5') (resid 13 and name C5') (resid 13 and name C4') 1 175 40 2 assign (resid 14 and name P) (resid 14 and name O5') (resid 14 and name C5') (resid 14 and name C4') 1 182 15 2 assign (resid 15 and name P) (resid 15 and name O5') (resid 15 and name C5') (resid 15 and name C4') 1 175 15 2 assign (resid 16 and name P) (resid 16 and name O5') (resid 16 and name C5') (resid 16 and name C4') 1 175 15 2 assign (resid 17 and name P) (resid 17 and name O5') (resid 17 and name C5') (resid 17 and name C4') 1 175 15 2 assign (resid 18 and name P) (resid 18 and name O5') (resid 18 and name C5') (resid 18 and name C4') 1 175 15 2 assign (resid 19 and name P) (resid 19 and name O5') (resid 19 and name C5') (resid 19 and name C4') 1 175 15 2 assign (resid 20 and name P) (resid 20 and name O5') (resid 20 and name C5') (resid 20 and name C4') 1 175 15 2 assign (resid 21 and name P) (resid 21 and name O5') (resid 21 and name C5') (resid 21 and name C4') 1 175 15 2 ! ! epsilon (from qHCP and PFIDS) assign (resid 1 and name C4') (resid 1 and name C3') (resid 1 and name O3') (resid 2 and name P) 1 -150 10 2 assign (resid 2 and name C4') (resid 2 and name C3') (resid 2 and name O3') (resid 3 and name P) 1 -150 10 2 assign (resid 3 and name C4') (resid 3 and name C3') (resid 3 and name O3') (resid 4 and name P) 1 -150 10 2 assign (resid 4 and name C4') (resid 4 and name C3') (resid 4 and name O3') (resid 5 and name P) 1 -150 10 2 assign (resid 5 and name C4') (resid 5 and name C3') (resid 5 and name O3') (resid 6 and name P) 1 -150 10 2 assign (resid 6 and name C4') (resid 6 and name C3') (resid 6 and name O3') (resid 7 and name P) 1 -150 10 2 assign (resid 7 and name C4') (resid 7 and name C3') (resid 7 and name O3') (resid 8 and name P) 1 -150 10 2 assign (resid 8 and name C4') (resid 8 and name C3') (resid 8 and name O3') (resid 9 and name P) 1 -135 20 2 assign (resid 9 and name C4') (resid 9 and name C3') (resid 9 and name O3') (resid 10 and name P) 1 -132 20 2 assign (resid 10 and name C4') (resid 10 and name C3') (resid 10 and name O3') (resid 11 and name P) 1 -126 20 2 assign (resid 11 and name C4') (resid 11 and name C3') (resid 11 and name O3') (resid 12 and name P) 1 -119 20 2 assign (resid 12 and name C4') (resid 12 and name C3') (resid 12 and name O3') (resid 13 and name P) 1 -122 20 2 assign (resid 13 and name C4') (resid 13 and name C3') (resid 13 and name O3') (resid 14 and name P) 1 -128 20 2 assign (resid 14 and name C4') (resid 14 and name C3') (resid 14 and name O3') (resid 15 and name P) 1 -143 20 2 assign (resid 15 and name C4') (resid 15 and name C3') (resid 15 and name O3') (resid 16 and name P) 1 -150 10 2 assign (resid 16 and name C4') (resid 16 and name C3') (resid 16 and name O3') (resid 17 and name P) 1 -150 10 2 assign (resid 17 and name C4') (resid 17 and name C3') (resid 17 and name O3') (resid 18 and name P) 1 -150 10 2 assign (resid 18 and name C4') (resid 18 and name C3') (resid 18 and name O3') (resid 19 and name P) 1 -150 10 2 assign (resid 19 and name C4') (resid 19 and name C3') (resid 19 and name O3') (resid 20 and name P) 1 -150 10 2 assign (resid 20 and name C4') (resid 20 and name C3') (resid 20 and name O3') (resid 21 and name P) 1 -150 10 2 ! ! alpha (from CCR) assign (resid 1 and name O3') (resid 2 and name P) (resid 2 and name O5') (resid 2 and name C5') 1 -65 20 2 assign (resid 2 and name O3') (resid 3 and name P) (resid 3 and name O5') (resid 3 and name C5') 1 -65 20 2 assign (resid 3 and name O3') (resid 4 and name P) (resid 4 and name O5') (resid 4 and name C5') 1 -65 20 2 assign (resid 4 and name O3') (resid 5 and name P) (resid 5 and name O5') (resid 5 and name C5') 1 -65 20 2 assign (resid 5 and name O3') (resid 6 and name P) (resid 6 and name O5') (resid 6 and name C5') 1 -65 20 2 assign (resid 6 and name O3') (resid 7 and name P) (resid 7 and name O5') (resid 7 and name C5') 1 -65 20 2 assign (resid 7 and name O3') (resid 8 and name P) (resid 8 and name O5') (resid 8 and name C5') 1 -65 20 2 assign (resid 8 and name O3') (resid 9 and name P) (resid 9 and name O5') (resid 9 and name C5') 1 -65 20 2 !assign (resid 9 and name O3') (resid 10 and name P) (resid 10 and name O5') (resid 10 and name C5') 1 -65 60 2 !assign (resid 10 and name O3') (resid 11 and name P) (resid 11 and name O5') (resid 11 and name C5') 1 -65 60 2 !assign (resid 11 and name O3') (resid 12 and name P) (resid 12 and name O5') (resid 12 and name C5') 1 -65 60 2 !assign (resid 12 and name O3') (resid 13 and name P) (resid 13 and name O5') (resid 13 and name C5') 1 -65 60 2 !assign (resid 13 and name O3') (resid 14 and name P) (resid 14 and name O5') (resid 14 and name C5') 1 -65 60 2 assign (resid 14 and name O3') (resid 15 and name P) (resid 15 and name O5') (resid 15 and name C5') 1 -65 20 2 assign (resid 15 and name O3') (resid 16 and name P) (resid 16 and name O5') (resid 16 and name C5') 1 -65 20 2 assign (resid 16 and name O3') (resid 17 and name P) (resid 17 and name O5') (resid 17 and name C5') 1 -65 20 2 assign (resid 17 and name O3') (resid 18 and name P) (resid 18 and name O5') (resid 18 and name C5') 1 -65 20 2 assign (resid 18 and name O3') (resid 19 and name P) (resid 19 and name O5') (resid 19 and name C5') 1 -65 20 2 assign (resid 19 and name O3') (resid 20 and name P) (resid 20 and name O5') (resid 20 and name C5') 1 -65 20 2 assign (resid 20 and name O3') (resid 21 and name P) (resid 21 and name O5') (resid 21 and name C5') 1 -65 20 2 ! ! delta (new) assign (resid 1 and name C5') (resid 1 and name C4') (resid 1 and name C3') (resid 1 and name O3') 1 80 10 2 assign (resid 2 and name C5') (resid 2 and name C4') (resid 2 and name C3') (resid 2 and name O3') 1 80 10 2 assign (resid 3 and name C5') (resid 3 and name C4') (resid 3 and name C3') (resid 3 and name O3') 1 80 10 2 assign (resid 4 and name C5') (resid 4 and name C4') (resid 4 and name C3') (resid 4 and name O3') 1 80 10 2 assign (resid 5 and name C5') (resid 5 and name C4') (resid 5 and name C3') (resid 5 and name O3') 1 80 10 2 assign (resid 6 and name C5') (resid 6 and name C4') (resid 6 and name C3') (resid 6 and name O3') 1 80 10 2 assign (resid 7 and name C5') (resid 7 and name C4') (resid 7 and name C3') (resid 7 and name O3') 1 80 10 2 assign (resid 8 and name C5') (resid 8 and name C4') (resid 8 and name C3') (resid 8 and name O3') 1 80 30 2 assign (resid 9 and name C5') (resid 9 and name C4') (resid 9 and name C3') (resid 9 and name O3') 1 80 50 2 assign (resid 10 and name C5') (resid 10 and name C4') (resid 10 and name C3') (resid 10 and name O3') 1 80 50 2 assign (resid 11 and name C5') (resid 11 and name C4') (resid 11 and name C3') (resid 11 and name O3') 1 80 50 2 assign (resid 12 and name C5') (resid 12 and name C4') (resid 12 and name C3') (resid 12 and name O3') 1 80 50 2 assign (resid 13 and name C5') (resid 13 and name C4') (resid 13 and name C3') (resid 13 and name O3') 1 80 50 2 assign (resid 14 and name C5') (resid 14 and name C4') (resid 14 and name C3') (resid 14 and name O3') 1 80 50 2 assign (resid 15 and name C5') (resid 15 and name C4') (resid 15 and name C3') (resid 15 and name O3') 1 80 30 2 assign (resid 16 and name C5') (resid 16 and name C4') (resid 16 and name C3') (resid 16 and name O3') 1 80 10 2 assign (resid 17 and name C5') (resid 17 and name C4') (resid 17 and name C3') (resid 17 and name O3') 1 80 10 2 assign (resid 18 and name C5') (resid 18 and name C4') (resid 18 and name C3') (resid 18 and name O3') 1 80 10 2 assign (resid 19 and name C5') (resid 19 and name C4') (resid 19 and name C3') (resid 19 and name O3') 1 80 10 2 assign (resid 20 and name C5') (resid 20 and name C4') (resid 20 and name C3') (resid 20 and name O3') 1 80 10 2 assign (resid 21 and name C5') (resid 21 and name C4') (resid 21 and name C3') (resid 21 and name O3') 1 80 10 2 ! ! zeta (from CCR) assign (resid 2 and name C3') (resid 2 and name O3') (resid 3 and name P) (resid 3 and name O5') 1 -73 20 2 assign (resid 3 and name C3') (resid 3 and name O3') (resid 4 and name P) (resid 4 and name O5') 1 -73 20 2 assign (resid 4 and name C3') (resid 4 and name O3') (resid 5 and name P) (resid 5 and name O5') 1 -73 20 2 assign (resid 5 and name C3') (resid 5 and name O3') (resid 6 and name P) (resid 6 and name O5') 1 -73 20 2 assign (resid 6 and name C3') (resid 6 and name O3') (resid 7 and name P) (resid 7 and name O5') 1 -73 20 2 assign (resid 7 and name C3') (resid 7 and name O3') (resid 8 and name P) (resid 8 and name O5') 1 -73 20 2 assign (resid 8 and name C3') (resid 8 and name O3') (resid 9 and name P) (resid 9 and name O5') 1 -73 20 2 !assign (resid 9 and name C3') (resid 9 and name O3') (resid 10 and name P) (resid 10 and name O5') 1 -80 60 2 assign (resid 10 and name C3') (resid 10 and name O3') (resid 11 and name P) (resid 11 and name O5') 1 -90 60 2 !assign (resid 11 and name C3') (resid 11 and name O3') (resid 12 and name P) (resid 12 and name O5') 1 60 60 2 assign (resid 12 and name C3') (resid 12 and name O3') (resid 13 and name P) (resid 13 and name O5') 1 -45 40 2 !assign (resid 13 and name C3') (resid 13 and name O3') (resid 14 and name P) (resid 14 and name O5') 1 -80 60 2 assign (resid 14 and name C3') (resid 14 and name O3') (resid 15 and name P) (resid 15 and name O5') 1 -73 20 2 assign (resid 15 and name C3') (resid 15 and name O3') (resid 16 and name P) (resid 16 and name O5') 1 -73 20 2 assign (resid 16 and name C3') (resid 16 and name O3') (resid 17 and name P) (resid 17 and name O5') 1 -73 20 2 assign (resid 17 and name C3') (resid 17 and name O3') (resid 18 and name P) (resid 18 and name O5') 1 -73 20 2 assign (resid 18 and name C3') (resid 18 and name O3') (resid 19 and name P) (resid 19 and name O5') 1 -73 20 2 assign (resid 19 and name C3') (resid 19 and name O3') (resid 20 and name P) (resid 20 and name O5') 1 -73 20 2 assign (resid 20 and name C3') (resid 20 and name O3') (resid 21 and name P) (resid 21 and name O5') 1 -73 20 2 ! ! gamma (qualitative from canonical coordinates residue 10 estimated and strange) assign (resid 1 and name O5') (resid 1 and name C5') (resid 1 and name C4') (resid 1 and name C3') 1 60 30 2 assign (resid 2 and name O5') (resid 2 and name C5') (resid 2 and name C4') (resid 2 and name C3') 1 60 30 2 assign (resid 3 and name O5') (resid 3 and name C5') (resid 3 and name C4') (resid 3 and name C3') 1 60 30 2 assign (resid 4 and name O5') (resid 4 and name C5') (resid 4 and name C4') (resid 4 and name C3') 1 60 30 2 assign (resid 5 and name O5') (resid 5 and name C5') (resid 5 and name C4') (resid 5 and name C3') 1 60 30 2 assign (resid 6 and name O5') (resid 6 and name C5') (resid 6 and name C4') (resid 6 and name C3') 1 60 30 2 assign (resid 7 and name O5') (resid 7 and name C5') (resid 7 and name C4') (resid 7 and name C3') 1 60 30 2 assign (resid 8 and name O5') (resid 8 and name C5') (resid 8 and name C4') (resid 8 and name C3') 1 60 30 2 assign (resid 9 and name O5') (resid 9 and name C5') (resid 9 and name C4') (resid 9 and name C3') 1 60 30 2 !assign (resid 10 and name O5') (resid 10 and name C5') (resid 10 and name C4') (resid 10 and name C3') 1 60 60 2 !assign (resid 11 and name O5') (resid 11 and name C5') (resid 11 and name C4') (resid 11 and name C3') 1 111 30 2 !assign (resid 12 and name O5') (resid 12 and name C5') (resid 12 and name C4') (resid 12 and name C3') 1 60 30 2 assign (resid 13 and name O5') (resid 13 and name C5') (resid 13 and name C4') (resid 13 and name C3') 1 60 30 2 assign (resid 14 and name O5') (resid 14 and name C5') (resid 14 and name C4') (resid 14 and name C3') 1 60 30 2 assign (resid 15 and name O5') (resid 15 and name C5') (resid 15 and name C4') (resid 15 and name C3') 1 60 30 2 assign (resid 16 and name O5') (resid 16 and name C5') (resid 16 and name C4') (resid 16 and name C3') 1 60 30 2 assign (resid 17 and name O5') (resid 17 and name C5') (resid 17 and name C4') (resid 17 and name C3') 1 60 30 2 assign (resid 18 and name O5') (resid 18 and name C5') (resid 18 and name C4') (resid 18 and name C3') 1 60 30 2 assign (resid 19 and name O5') (resid 19 and name C5') (resid 19 and name C4') (resid 19 and name C3') 1 60 30 2 assign (resid 20 and name O5') (resid 20 and name C5') (resid 20 and name C4') (resid 20 and name C3') 1 60 30 2 assign (resid 21 and name O5') (resid 21 and name C5') (resid 21 and name C4') (resid 21 and name C3') 1 180 30 2
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