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 |
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|
542801 |
2lu6   |
18510 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
restraints
dihedral
! dihedrals based on NOE HA-HA (no noe=trans)
assign (resid 2 and name HN) (resid 2 and name N)
(resid 2 and name CA) (resid 2 and name HA) 1.000 -120 30.0 2
assign (resid 3 and name HN) (resid 3 and name N)
(resid 3 and name CA) (resid 3 and name HA) 1.000 -120 30.0 2
assign (resid 4 and name HN) (resid 4 and name N)
(resid 4 and name CA) (resid 4 and name HA) 1.000 -120 30.0 2
assign (resid 5 and name HN) (resid 5 and name N)
(resid 5 and name CA) (resid 5 and name HA) 1.000 -120 30.0 2
assign (resid 6 and name HN) (resid 6 and name N)
(resid 6 and name CA) (resid 6 and name HA) 1.000 -120 30.0 2
assign (resid 7 and name HN) (resid 7 and name N)
(resid 7 and name CA) (resid 7 and name HA) 1.000 -120 30.0 2
assign (resid 8 and name HN) (resid 8 and name N)
(resid 8 and name CA) (resid 8 and name HA) 1.000 -120 30.0 2
assign (resid 9 and name HN) (resid 9 and name N)
(resid 9 and name CA) (resid 9 and name HA) 1.000 -120 30.0 2
assign (resid 10 and name HN) (resid 10 and name N)
(resid 10 and name CA) (resid 10 and name HA) 1.000 -120 30.0 2
assign (resid 11 and name HN) (resid 11 and name N)
(resid 11 and name CA) (resid 11 and name HA) 1.000 -120 30.0 2
assign (resid 12 and name HN) (resid 12 and name N)
(resid 12 and name CA) (resid 12 and name HA) 1.000 -120 30.0 2
assign (resid 13 and name HN) (resid 13 and name N)
(resid 13 and name CA) (resid 13 and name HA) 1.000 -120 30.0 2
assign (resid 14 and name HN) (resid 14 and name N)
(resid 14 and name CA) (resid 14 and name HA) 1.000 -120 30.0 2
!dihedrals in peptide bonds
assign (resid 1 and name O) (resid 1 and name C)
(resid 2 and name N) (resid 2 and name HN) 1.000 180 10.0 2
assign (resid 2 and name O) (resid 2 and name C)
(resid 3 and name N) (resid 3 and name HN) 1.000 180 10.0 2
assign (resid 3 and name O) (resid 3 and name C)
(resid 4 and name N) (resid 4 and name HN) 1.000 180 10.0 2
assign (resid 4 and name O) (resid 4 and name C)
(resid 5 and name N) (resid 5 and name HN) 1.000 180 10.0 2
assign (resid 6 and name O) (resid 6 and name C)
(resid 7 and name N) (resid 7 and name HN) 1.000 180 10.0 2
assign (resid 7 and name O) (resid 7 and name C)
(resid 8 and name N) (resid 8 and name HN) 1.000 180 10.0 2
assign (resid 8 and name O) (resid 8 and name C)
(resid 9 and name N) (resid 9 and name HN) 1.000 180 10.0 2
assign (resid 9 and name O) (resid 9 and name C)
(resid 10 and name N) (resid 10 and name HN) 1.000 180 10.0 2
assign (resid 10 and name O) (resid 10 and name C)
(resid 11 and name N) (resid 11 and name HN) 1.000 180 10.0 2
assign (resid 11 and name O) (resid 11 and name C)
(resid 12 and name N) (resid 12 and name HN) 1.000 180 10.0 2
assign (resid 12 and name O) (resid 12 and name C)
(resid 13 and name N) (resid 13 and name HN) 1.000 180 10.0 2
assign (resid 13 and name O) (resid 13 and name C)
(resid 14 and name N) (resid 14 and name HN) 1.000 180 10.0 2
!dihedrals in HB, one trans, one gosh (big+small noe)
assign (resid 1 and name HA) (resid 1 and name CA)
(resid 1 and name CB) (resid 1 and name HB1) 1.000 180 30.0 2
assign (resid 3 and name HA) (resid 3 and name CA)
(resid 3 and name CB) (resid 3 and name HB1) 1.000 180 30.0 2
!assign (resid 6 and name HA) (resid 6 and name CA)
! (resid 6 and name CB) (resid 6 and name HB1) 1.000 180 30.0 2
!assign (resid 9 and name HA) (resid 9 and name CA)
! (resid 9 and name CB) (resid 9 and name HB2) 1.000 180 30.0 2
!assign (resid 10 and name HA) (resid 10 and name CA)
! (resid 10 and name CB) (resid 10 and name HB2) 1.000 180 30.0 2
!assign (resid 11 and name HA) (resid 11 and name CA)
! (resid 11 and name CB) (resid 11 and name HB2) 1.000 180 30.0 2
assign (resid 13 and name HA) (resid 13 and name CA)
(resid 13 and name CB) (resid 13 and name HB2) 1.000 180 30.0 2
assign (resid 14 and name HA) (resid 14 and name CA)
(resid 14 and name CB) (resid 14 and name HB2) 1.000 180 30.0 2
end
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