NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1435 |
1akx   |
cing | 1-original | 6 | XPLOR/CNS | dihedral angle |
!non-A helix deltas - C2' endo puckers
!removed A35 pucker restraint ... weak cosy and very weak DQ - HAHB restraint
!c2'endo puckers
assign (resid 23 and name C1')
(resid 23 and name C2')
(resid 23 and name C3')
(resid 23 and name C4') 1.0 -40.0 5.0 2
assign (resid 23 and name C3')
(resid 23 and name C4')
(resid 23 and name O4')
(resid 23 and name C1') 1.0 0.0 5.0 2
assign (resid 25 and name C1')
(resid 25 and name C2')
(resid 25 and name C3')
(resid 25 and name C4') 1.0 -40.0 5.0 2
assign (resid 25 and name C3')
(resid 25 and name C4')
(resid 25 and name O4')
(resid 25 and name C1') 1.0 0.0 5.0 2
assign (resid 30 and name C1')
(resid 30 and name C2')
(resid 30 and name C3')
(resid 30 and name C4') 1.0 -40.0 5.0 2
assign (resid 30 and name C3')
(resid 30 and name C4')
(resid 30 and name O4')
(resid 30 and name C1') 1.0 0.0 5.0 2
assign (resid 31 and name C1')
(resid 31 and name C2')
(resid 31 and name C3')
(resid 31 and name C4') 1.0 -40.0 5.0 2
assign (resid 31 and name C3')
(resid 31 and name C4')
(resid 31 and name O4')
(resid 31 and name C1') 1.0 0.0 5.0 2
assign (resid 32 and name C1')
(resid 32 and name C2')
(resid 32 and name C3')
(resid 32 and name C4') 1.0 -40.0 5.0 2
assign (resid 33 and name C3')
(resid 33 and name C4')
(resid 33 and name O4')
(resid 33 and name C1') 1.0 0.0 5.0 2
assign (resid 33 and name C1')
(resid 33 and name C2')
(resid 33 and name C3')
(resid 33 and name C4') 1.0 -40.0 5.0 2
assign (resid 34 and name C1')
(resid 34 and name C2')
(resid 34 and name C3')
(resid 34 and name C4') 1.0 -40.0 5.0 2
assign (resid 34 and name C3')
(resid 34 and name C4')
(resid 34 and name O4')
(resid 34 and name C1') 1.0 0.0 5.0 2
!A- helix deltas and nu2 only for C3' endo pucker
assign (resid 16 and name C5')
(resid 16 and name C4')
(resid 16 and name C3')
(resid 16 and name O3') 1.0 82.0 5.0 2
assign (resid 16 and name C1')
(resid 16 and name C2')
(resid 16 and name C3')
(resid 16 and name C4') 1.0 38.0 5.0 2
assign (resid 17 and name C5')
(resid 17 and name C4')
(resid 17 and name C3')
(resid 17 and name O3') 1.0 82.0 5.0 2
assign (resid 17 and name C1')
(resid 17 and name C2')
(resid 17 and name C3')
(resid 17 and name C4') 1.0 38.0 5.0 2
assign (resid 18 and name C5')
(resid 18 and name C4')
(resid 18 and name C3')
(resid 18 and name O3') 1.0 82.0 5.0 2
assign (resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3')
(resid 18 and name C4') 1.0 38.0 5.0 2
assign (resid 19 and name C5')
(resid 19 and name C5')
(resid 19 and name C3')
(resid 19 and name O3') 1.0 82.0 5.0 2
assign (resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3')
(resid 19 and name C4') 1.0 38.0 5.0 2
assign (resid 20 and name C5')
(resid 20 and name C4')
(resid 20 and name C3')
(resid 20 and name O3') 1.0 82.0 5.0 2
assign (resid 20 and name C1')
(resid 20 and name C2')
(resid 20 and name C3')
(resid 20 and name C4') 1.0 38.0 5.0 2
assign (resid 21 and name C5')
(resid 21 and name C4')
(resid 21 and name C3')
(resid 21 and name O3') 1.0 82.0 5.0 2
assign (resid 21 and name C1')
(resid 21 and name C2')
(resid 21 and name C3')
(resid 21 and name C4') 1.0 38.0 5.0 2
assign (resid 22 and name C5')
(resid 22 and name C4')
(resid 22 and name C3')
(resid 22 and name O3') 1.0 82.0 5.0 2
assign (resid 22 and name C1')
(resid 22 and name C2')
(resid 22 and name C3')
(resid 22 and name C4') 1.0 38.0 5.0 2
assign (resid 26 and name C5')
(resid 26 and name C4')
(resid 26 and name C3')
(resid 26 and name O3') 1.0 82.0 5.0 2
assign (resid 26 and name C1')
(resid 26 and name C2')
(resid 26 and name C3')
(resid 26 and name C4') 1.0 38.0 5.0 2
assign (resid 27 and name C5')
(resid 27 and name C4')
(resid 27 and name C3')
(resid 27 and name O3') 1.0 82.0 5.0 2
assign (resid 27 and name C1')
(resid 27 and name C2')
(resid 27 and name C3')
(resid 27 and name C4') 1.0 38.0 5.0 2
assign (resid 28 and name C5')
(resid 28 and name C4')
(resid 28 and name C3')
(resid 28 and name O3') 1.0 82.0 5.0 2
assign (resid 28 and name C1')
(resid 28 and name C2')
(resid 28 and name C3')
(resid 28 and name C4') 1.0 38.0 5.0 2
assign (resid 29 and name C5')
(resid 29 and name C4')
(resid 29 and name C3')
(resid 29 and name O3') 1.0 82.0 5.0 2
assign (resid 29 and name C1')
(resid 29 and name C2')
(resid 29 and name C3')
(resid 29 and name C4') 1.0 38.0 5.0 2
assign (resid 36 and name C5')
(resid 36 and name C4')
(resid 36 and name C3')
(resid 36 and name O3') 1.0 82.0 5.0 2
assign (resid 36 and name C1')
(resid 36 and name C2')
(resid 36 and name C3')
(resid 36 and name C4') 1.0 38.0 5.0 2
assign (resid 37 and name C5')
(resid 37 and name C4')
(resid 37 and name C3')
(resid 37 and name O3') 1.0 82.0 5.0 2
assign (resid 37 and name C1')
(resid 37 and name C2')
(resid 37 and name C3')
(resid 37 and name C4') 1.0 38.0 5.0 2
assign (resid 38 and name C5')
(resid 38 and name C4')
(resid 38 and name C3')
(resid 38 and name O3') 1.0 82.0 5.0 2
assign (resid 39 and name C5')
(resid 39 and name C4')
(resid 39 and name C3')
(resid 39 and name O3') 1.0 82.0 5.0 2
assign (resid 39 and name C1')
(resid 39 and name C2')
(resid 39 and name C3')
(resid 39 and name C4') 1.0 38.0 5.0 2
assign (resid 40 and name C5')
(resid 40 and name C4')
(resid 40 and name C3')
(resid 40 and name O3') 1.0 82.0 5.0 2
assign (resid 40 and name C1')
(resid 40 and name C2')
(resid 40 and name C3')
(resid 40 and name C4') 1.0 38.0 5.0 2
assign (resid 41 and name C5')
(resid 41 and name C4')
(resid 41 and name C3')
(resid 41 and name O3') 1.0 82.0 5.0 2
assign (resid 41 and name C1')
(resid 41 and name C2')
(resid 41 and name C3')
(resid 41 and name C4') 1.0 38.0 5.0 2
assign (resid 42 and name C5')
(resid 42 and name C4')
(resid 42 and name C3')
(resid 42 and name O3') 1.0 82.0 5.0 2
assign (resid 42 and name C1')
(resid 42 and name C2')
(resid 42 and name C3')
(resid 42 and name C4') 1.0 38.0 5.0 2
assign (resid 43 and name C5')
(resid 43 and name C4')
(resid 43 and name C3')
(resid 43 and name O3') 1.0 82.0 5.0 2
assign (resid 43 and name C1')
(resid 43 and name C2')
(resid 43 and name C3')
(resid 43 and name C4') 1.0 38.0 5.0 2
assign (resid 44 and name C5')
(resid 44 and name C4')
(resid 44 and name C3')
(resid 44 and name O3') 1.0 82.0 5.0 2
assign (resid 44 and name C1')
(resid 44 and name C2')
(resid 44 and name C3')
(resid 44 and name C4') 1.0 38.0 5.0 2
assign (resid 45 and name C5')
(resid 45 and name C4')
(resid 45 and name C3')
(resid 45 and name O3') 1.0 82.0 5.0 2
assign (resid 45 and name C1')
(resid 45 and name C2')
(resid 45 and name C3')
(resid 45 and name C4') 1.0 38.0 5.0 2
assign (resid 46 and name C5')
(resid 46 and name C4')
(resid 46 and name C3')
(resid 46 and name O3') 1.0 82.0 5.0 2
assign (resid 46 and name C1')
(resid 46 and name C2')
(resid 46 and name C3')
(resid 46 and name C4') 1.0 38.0 5.0 2
!gamma torsions ... restrain G26 to be not gauche+
assign (resid 26 and name O5')
(resid 26 and name C5')
(resid 26 and name C4')
(resid 26 and name C3') 1.0 -130.0 110.0 2
!beta torsions ... for H5' and H5'' HP xpeaks
assign (resid 23 and name P)
(resid 23 and name O5')
(resid 23 and name C5')
(resid 23 and name C4') 1.0 -15.0 135.0 2
assign (resid 25 and name P)
(resid 25 and name O5')
(resid 25 and name C5')
(resid 25 and name C4') 1.0 -15.0 135.0 2
assign (resid 26 and name P)
(resid 26 and name O5')
(resid 26 and name C5')
(resid 26 and name C4') 1.0 -15.0 135.0 2
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