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 |
|
|
534602 |
2lpw   |
18279 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
restraints dihedral reset
! Glycosidic dihedral restraints (two dihedral angles @residue)
! anti:(240,0)+/-40-70 or syn:(60,180)+/-40-70
! heavy atoms restraint only
! All residues (based on intra-residue NOE cross-peaks)
assi (resi 1 and name O4' and segi DNA1)
(resi 1 and name C1' and segi DNA1)
(resi 1 and name N9 and segi DNA1)
(resi 1 and name C4 and segi DNA1) 1.0 60.0 70.0 2
assi (resi 2 and name O4' and segi DNA1)
(resi 2 and name C1' and segi DNA1)
(resi 2 and name N9 and segi DNA1)
(resi 2 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 3 and name O4' and segi DNA1)
(resi 3 and name C1' and segi DNA1)
(resi 3 and name N9 and segi DNA1)
(resi 3 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 4 and name O4' and segi DNA1)
(resi 4 and name C1' and segi DNA1)
(resi 4 and name N9 and segi DNA1)
(resi 4 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 5 and name O4' and segi DNA1)
(resi 5 and name C1' and segi DNA1)
(resi 5 and name N9 and segi DNA1)
(resi 5 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 7 and name O4' and segi DNA1)
(resi 7 and name C1' and segi DNA1)
(resi 7 and name N9 and segi DNA1)
(resi 7 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 8 and name O4' and segi DNA1)
(resi 8 and name C1' and segi DNA1)
(resi 8 and name N9 and segi DNA1)
(resi 8 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 9 and name O4' and segi DNA1)
(resi 9 and name C1' and segi DNA1)
(resi 9 and name N9 and segi DNA1)
(resi 9 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 17 and name O4' and segi DNA1)
(resi 17 and name C1' and segi DNA1)
(resi 17 and name N9 and segi DNA1)
(resi 17 and name C4 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 18 and name O4' and segi DNA1)
(resi 18 and name C1' and segi DNA1)
(resi 18 and name N1 and segi DNA1)
(resi 18 and name C2 and segi DNA1) 1.0 240.0 70.0 2
assi (resi 19 and name O4' and segi DNA1)
(resi 19 and name C1' and segi DNA1)
(resi 19 and name N9 and segi DNA1)
(resi 19 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 20 and name O4' and segi DNA1)
(resi 20 and name C1' and segi DNA1)
(resi 20 and name N9 and segi DNA1)
(resi 20 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 21 and name O4' and segi DNA1)
(resi 21 and name C1' and segi DNA1)
(resi 21 and name N9 and segi DNA1)
(resi 21 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 23 and name O4' and segi DNA1)
(resi 23 and name C1' and segi DNA1)
(resi 23 and name N9 and segi DNA1)
(resi 23 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 24 and name O4' and segi DNA1)
(resi 24 and name C1' and segi DNA1)
(resi 24 and name N9 and segi DNA1)
(resi 24 and name C4 and segi DNA1) 1.0 240.0 40.0 2
assi (resi 25 and name O4' and segi DNA1)
(resi 25 and name C1' and segi DNA1)
(resi 25 and name N9 and segi DNA1)
(resi 25 and name C4 and segi DNA1) 1.0 240.0 40.0 2
! Epsilon dihedral restraints
! free B-DNA:180+/-100
! NMR intensity:225+/-75
! Gcore linkers (weak 31P-H3'/H4' cross-peaks)
assi (resi 3 and name C4' and segi DNA1)
(resi 3 and name C3' and segi DNA1)
(resi 3 and name O3' and segi DNA1)
(resi 4 and name P and segi DNA1) 1.0 225.0 75.0 2
assi (resi 4 and name C4' and segi DNA1)
(resi 4 and name C3' and segi DNA1)
(resi 4 and name O3' and segi DNA1)
(resi 5 and name P and segi DNA1) 1.0 225.0 75.0 2
assi (resi 7 and name C4' and segi DNA1)
(resi 7 and name C3' and segi DNA1)
(resi 7 and name O3' and segi DNA1)
(resi 8 and name P and segi DNA1) 1.0 225.0 75.0 2
assi (resi 8 and name C4' and segi DNA1)
(resi 8 and name C3' and segi DNA1)
(resi 8 and name O3' and segi DNA1)
(resi 9 and name P and segi DNA1) 1.0 225.0 75.0 2
assi (resi 19 and name C4' and segi DNA1)
(resi 19 and name C3' and segi DNA1)
(resi 19 and name O3' and segi DNA1)
(resi 20 and name P and segi DNA1) 1.0 225.0 75.0 2
assi (resi 20 and name C4' and segi DNA1)
(resi 20 and name C3' and segi DNA1)
(resi 20 and name O3' and segi DNA1)
(resi 21 and name P and segi DNA1) 1.0 225.0 75.0 2
assi (resi 23 and name C4' and segi DNA1)
(resi 23 and name C3' and segi DNA1)
(resi 23 and name O3' and segi DNA1)
(resi 24 and name P and segi DNA1) 1.0 225.0 75.0 2
assi (resi 24 and name C4' and segi DNA1)
(resi 24 and name C3' and segi DNA1)
(resi 24 and name O3' and segi DNA1)
(resi 25 and name P and segi DNA1) 1.0 225.0 75.0 2
! Beta dihedral restraints
! free B-DNA:180+/-50
! NMR intensity:180+/-60
! Gcore linkers (weak 31P-H5'/H5'' cross-peaks)
assi (resi 4 and name p and segi DNA1)
(resi 4 and name O5' and segi DNA1)
(resi 4 and name C5' and segi DNA1)
(resi 4 and name C4' and segi DNA1) 1.0 180.0 50.0 2
assi (resi 5 and name p and segi DNA1)
(resi 5 and name O5' and segi DNA1)
(resi 5 and name C5' and segi DNA1)
(resi 5 and name C4' and segi DNA1) 1.0 180.0 50.0 2
assi (resi 8 and name p and segi DNA1)
(resi 8 and name O5' and segi DNA1)
(resi 8 and name C5' and segi DNA1)
(resi 8 and name C4' and segi DNA1) 1.0 180.0 50.0 2
assi (resi 9 and name p and segi DNA1)
(resi 9 and name O5' and segi DNA1)
(resi 9 and name C5' and segi DNA1)
(resi 9 and name C4' and segi DNA1) 1.0 180.0 50.0 2
assi (resi 20 and name p and segi DNA1)
(resi 20 and name O5' and segi DNA1)
(resi 20 and name C5' and segi DNA1)
(resi 20 and name C4' and segi DNA1) 1.0 180.0 50.0 2
assi (resi 21 and name p and segi DNA1)
(resi 21 and name O5' and segi DNA1)
(resi 21 and name C5' and segi DNA1)
(resi 21 and name C4' and segi DNA1) 1.0 180.0 50.0 2
assi (resi 24 and name p and segi DNA1)
(resi 24 and name O5' and segi DNA1)
(resi 24 and name C5' and segi DNA1)
(resi 24 and name C4' and segi DNA1) 1.0 180.0 50.0 2
assi (resi 25 and name p and segi DNA1)
(resi 25 and name O5' and segi DNA1)
(resi 25 and name C5' and segi DNA1)
(resi 25 and name C4' and segi DNA1) 1.0 180.0 50.0 2
end
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