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 | subtype | subsubtype |
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|
5747 |
1hwv   |
cing | 1-original | 2 | XPLOR/CNS | distance | hydrogen bond | simple |
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!############## HYDROGEN BOND CONSTRAINTS #####################
!#####################################################################
!C1-G22 base pair
assign (resid 1 and name H41 and segid DNA1)
(resid 22 and name O6 and segid DNA2) 1.9 0.10 0.10
assign (resid 1 and name N3 and segid DNA1)
(resid 22 and name H1 and segid DNA2) 2.0 0.10 0.10
assign (resid 1 and name O2 and segid DNA1)
(resid 22 and name H21 and segid DNA2) 2.0 0.10 0.10
!C2-G21 base pair
assign (resid 2 and name H41 and segid DNA1)
(resid 21 and name O6 and segid DNA2) 1.9 0.10 0.10
assign (resid 2 and name N3 and segid DNA1)
(resid 21 and name H1 and segid DNA2) 2.0 0.10 0.10
assign (resid 2 and name O2 and segid DNA1)
(resid 21 and name H21 and segid DNA2) 2.0 0.10 0.10
!C5-G18 base pair
assign (resid 5 and name H41 and segid DNA1)
(resid 18 and name O6 and segid DNA2) 1.9 0.10 0.10
assign (resid 5 and name N3 and segid DNA1)
(resid 18 and name H1 and segid DNA2) 2.0 0.10 0.10
assign (resid 5 and name O2 and segid DNA1)
(resid 18 and name H21 and segid DNA2) 2.0 0.10 0.10
!C7-G16 base pair
assign (resid 7 and name H41 and segid DNA1)
(resid 16 and name O6 and segid DNA2) 1.9 0.10 0.10
assign (resid 7 and name N3 and segid DNA1)
(resid 16 and name H1 and segid DNA2) 2.0 0.10 0.10
assign (resid 7 and name O2 and segid DNA1)
(resid 16 and name H21 and segid DNA2) 2.0 0.10 0.10
!C10-G13 base pair
assign (resid 10 and name H41 and segid DNA1)
(resid 13 and name O6 and segid DNA2) 1.9 0.10 0.10
assign (resid 10 and name N3 and segid DNA1)
(resid 13 and name H1 and segid DNA2) 2.0 0.10 0.10
assign (resid 10 and name O2 and segid DNA1)
(resid 13 and name H21 and segid DNA2) 2.0 0.10 0.10
!C11-G12 base pair
assign (resid 11 and name H41 and segid DNA1)
(resid 12 and name O6 and segid DNA2) 1.9 0.10 0.10
assign (resid 11 and name N3 and segid DNA1)
(resid 12 and name H1 and segid DNA2) 2.0 0.10 0.10
assign (resid 11 and name O2 and segid DNA1)
(resid 12 and name H21 and segid DNA2) 2.0 0.10 0.10
!###################################################################
!*G6-C17 base pair
assign (resid 17 and name H41 and segid DNA2)
(resid 6 and name O6 and segid DNA1) 1.9 0.10 0.10
assign (resid 17 and name N3 and segid DNA2)
(resid 6 and name H1 and segid DNA1) 2.0 0.10 0.10
assign (resid 17 and name O2 and segid DNA2)
(resid 6 and name H21 and segid DNA1) 2.0 0.10 0.20
!###################################################################
!A3-T20 base pair
assign (resid 20 and name H3 and segid DNA2)
(resid 3 and name N1 and segid DNA1) 2.1 0.10 0.20
assign (resid 20 and name O4 and segid DNA2)
(resid 3 and name H61 and segid DNA1) 2.0 0.10 0.20
!A9-T14 base pair
assign (resid 14 and name H3 and segid DNA2)
(resid 9 and name N1 and segid DNA1) 2.1 0.10 0.20
assign (resid 14 and name O4 and segid DNA2)
(resid 9 and name H61 and segid DNA1) 2.0 0.10 0.20
!A19-T4 base pair
assign (resid 4 and name H3 and segid DNA1)
(resid 19 and name N1 and segid DNA2) 2.1 0.10 0.20
assign (resid 4 and name O4 and segid DNA1)
(resid 19 and name H61 and segid DNA2) 2.0 0.10 0.20
!A15-T8 base pair
assign (resid 8 and name H3 and segid DNA1)
(resid 15 and name N1 and segid DNA2) 2.1 0.10 0.20
assign (resid 8 and name O4 and segid DNA1)
(resid 15 and name H61 and segid DNA2) 2.0 0.10 0.20
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