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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583487 |
2mkm   |
19784 | cing | 1-original | 8 | XPLOR/CNS | dihedral angle |
!!Angles assign ( resid 1 and name O4' ) (resid 1 and name C1' ) (resid 1 and name C2' ) ( resid 1 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 2 and name O4' ) (resid 2 and name C1' ) (resid 2 and name C2' ) ( resid 2 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 5 and name O4' ) (resid 5 and name C1' ) (resid 5 and name C2' ) ( resid 5 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 6 and name O4' ) (resid 6 and name C1' ) (resid 6 and name C2' ) ( resid 6 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 10 and name O4' ) (resid 10 and name C1' ) (resid 10 and name C2' ) ( resid 10 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 8 and name O4' ) (resid 8 and name C1' ) (resid 8 and name C2' ) ( resid 8 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 3 and name O4' ) (resid 3 and name C1' ) (resid 3 and name C2' ) ( resid 3 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 4 and name O4' ) (resid 4 and name C1' ) (resid 4 and name C2' ) ( resid 4 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 7 and name O4' ) (resid 7 and name C1' ) (resid 7 and name C2' ) ( resid 7 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 9 and name O4' ) (resid 9 and name C1' ) (resid 9 and name C2' ) ( resid 9 and name C3' ) 1.0 30.0 5.0 2 assign ( resid 1 and name C1' ) (resid 1 and name C2' ) (resid 1 and name C3' ) ( resid 1 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 2 and name C1' ) (resid 2 and name C2' ) (resid 2 and name C3' ) ( resid 2 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 5 and name C1' ) (resid 5 and name C2' ) (resid 5 and name C3' ) ( resid 5 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 6 and name C1' ) (resid 6 and name C2' ) (resid 6 and name C3' ) ( resid 6 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 10 and name C1' ) (resid 10 and name C2' ) (resid 10 and name C3' ) ( resid 10 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 8 and name C1' ) (resid 8 and name C2' ) (resid 8 and name C3' ) ( resid 8 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 3 and name C1' ) (resid 3 and name C2' ) (resid 3 and name C3' ) ( resid 3 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 4 and name C1' ) (resid 4 and name C2' ) (resid 4 and name C3' ) ( resid 4 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 7 and name C1' ) (resid 7 and name C2' ) (resid 7 and name C3' ) ( resid 7 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 9 and name C1' ) (resid 9 and name C2' ) (resid 9 and name C3' ) ( resid 9 and name C4' ) 1.0 -27.5 5.0 2 assign ( resid 1 and name H4' ) (resid 1 and name C4' ) (resid 1 and name C3' ) ( resid 1 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 2 and name H4' ) (resid 2 and name C4' ) (resid 2 and name C3' ) ( resid 2 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 3 and name H4' ) (resid 3 and name C4' ) (resid 3 and name C3' ) ( resid 3 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 4 and name H4' ) (resid 4 and name C4' ) (resid 4 and name C3' ) ( resid 4 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 5 and name H4' ) (resid 5 and name C4' ) (resid 5 and name C3' ) ( resid 5 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 6 and name H4' ) (resid 6 and name C4' ) (resid 6 and name C3' ) ( resid 6 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 7 and name H4' ) (resid 7 and name C4' ) (resid 7 and name C3' ) ( resid 7 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 8 and name H4' ) (resid 8 and name C4' ) (resid 8 and name C3' ) ( resid 8 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 9 and name H4' ) (resid 9 and name C4' ) (resid 9 and name C3' ) ( resid 9 and name H3' ) 1.0 -90.0 5.0 2 assign ( resid 10 and name H4' ) (resid 10 and name C4' ) (resid 10 and name C3' ) ( resid 10 and name H3' ) 1.0 -90.0 5.0 2 ! 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) assign ( resid 1 and name O4' ) (resid 1 and name C1' ) (resid 1 and name N9 ) ( resid 1 and name C4 ) 1.0 60.0 40.0 2 assign ( resid 2 and name O4' ) (resid 2 and name C1' ) (resid 2 and name N9 ) ( resid 2 and name C4 ) 1.0 240.0 40.0 2 assign ( resid 5 and name O4' ) (resid 5 and name C1' ) (resid 5 and name N9 ) ( resid 5 and name C4 ) 1.0 60.0 40.0 2 assign ( resid 6 and name O4' ) (resid 6 and name C1' ) (resid 6 and name N9 ) ( resid 6 and name C4 ) 1.0 240.0 40.0 2 assign ( resid 10 and name O4' ) (resid 10 and name C1' ) (resid 10 and name N9 ) ( resid 10 and name C4 ) 1.0 60.0 40.0 2 assign ( resid 11 and name O4' ) (resid 11 and name C1' ) (resid 11 and name N9 ) ( resid 11 and name C4 ) 1.0 240.0 40.0 2 assign ( resid 8 and name O4' ) (resid 8 and name C1' ) (resid 8 and name N9 ) ( resid 8 and name C4 ) 1.0 240.0 40.0 2 assign ( resid 3 and name O4' ) (resid 3 and name C1' ) (resid 3 and name N1 ) ( resid 3 and name C2 ) 1.0 240.0 70.0 2 assign ( resid 4 and name O4' ) (resid 4 and name C1' ) (resid 4 and name N1 ) ( resid 4 and name C2 ) 1.0 240.0 70.0 2 assign ( resid 7 and name O4' ) (resid 7 and name C1' ) (resid 7 and name N1 ) ( resid 7 and name C2 ) 1.0 240.0 70.0 2 assign ( resid 9 and name O4' ) (resid 9 and name C1' ) (resid 9 and name N1 ) ( resid 9 and name C2 ) 1.0 240.0 70.0 2 assign ( resid 1 and name H1' ) (resid 1 and name C1' ) (resid 1 and name N9 ) ( resid 1 and name C4 ) 1.0 180.0 70.0 2 assign ( resid 2 and name H1' ) (resid 2 and name C1' ) (resid 2 and name N9 ) ( resid 2 and name C4 ) 1.0 0.0 70.0 2 assign ( resid 5 and name H1' ) (resid 5 and name C1' ) (resid 5 and name N9 ) ( resid 5 and name C4 ) 1.0 180.0 70.0 2 assign ( resid 6 and name H1' ) (resid 6 and name C1' ) (resid 6 and name N9 ) ( resid 6 and name C4 ) 1.0 0.0 70.0 2 assign ( resid 10 and name H1' ) (resid 10 and name C1' ) (resid 10 and name N9 ) ( resid 10 and name C4 ) 1.0 180.0 70.0 2 assign ( resid 11 and name H1' ) (resid 11 and name C1' ) (resid 11 and name N9 ) ( resid 11 and name C4 ) 1.0 0.0 70.0 2 assign ( resid 8 and name H1' ) (resid 8 and name C1' ) (resid 8 and name N9 ) ( resid 8 and name C4 ) 1.0 0.0 70.0 2 assign ( resid 3 and name O4' ) (resid 3 and name C1' ) (resid 3 and name N1 ) ( resid 3 and name C2 ) 1.0 0.0 70.0 2 assign ( resid 4 and name O4' ) (resid 4 and name C1' ) (resid 4 and name N1 ) ( resid 4 and name C2 ) 1.0 0.0 70.0 2 assign ( resid 7 and name O4' ) (resid 7 and name C1' ) (resid 7 and name N1 ) ( resid 7 and name C2 ) 1.0 0.0 70.0 2 assign ( resid 9 and name O4' ) (resid 9 and name C1' ) (resid 9 and name N1 ) ( resid 9 and name C2 ) 1.0 0.0 70.0 2 !Beta angles of all Guanines are trans according to the (weak 31P-H5'/H5'' cross-peaks) in the 31P-1H HSQC spectrum !! free B-DNA:180+/-50 ! NMR intensity:180+/-60 assign ( resid 2 and name P ) (resid 2 and name O5' ) (resid 2 and name C5' ) ( resid 2 and name C4' ) 1.0 180.0 50.0 2 assign ( resid 5 and name P ) (resid 5 and name O5' ) (resid 5 and name C5' ) ( resid 5 and name C4' ) 1.0 180.0 50.0 2 assign ( resid 6 and name P ) (resid 6 and name O5' ) (resid 6 and name C5' ) ( resid 6 and name C4' ) 1.0 180.0 50.0 2 assign ( resid 10 and name P ) (resid 10 and name O5' ) (resid 10 and name C5' ) ( resid 10 and name C4' ) 1.0 180.0 50.0 2 assign ( resid 11 and name P ) (resid 11 and name O5' ) (resid 11 and name C5' ) ( resid 11 and name C4' ) 1.0 180.0 50.0 2 assign ( resid 8 and name P ) (resid 8 and name O5' ) (resid 8 and name C5' ) ( resid 8 and name C4' ) 1.0 180.0 50.0 2 !Assign considering the NOESY intensity peaks of Ar with H5'-H5" and intersugar dist H2'H5'/H5" !and in the 31P-1H-HSQC the cross-peaks between 31P and H4'-> which estabilish the g+ conf. assign ( resid 1 and name O5' ) (resid 1 and name C5' ) (resid 1 and name C4' ) ( resid 1 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 2 and name O5' ) (resid 2 and name C5' ) (resid 2 and name C4' ) ( resid 2 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 6 and name O5' ) (resid 6 and name C5' ) (resid 6 and name C4' ) ( resid 6 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 11 and name O5' ) (resid 11 and name C5' ) (resid 11 and name C4' ) ( resid 11 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 8 and name O5' ) (resid 8 and name C5' ) (resid 8 and name C4' ) ( resid 8 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 3 and name O5' ) (resid 3 and name C5' ) (resid 3 and name C4' ) ( resid 3 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 4 and name O5' ) (resid 4 and name C5' ) (resid 4 and name C4' ) ( resid 4 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 7 and name O5' ) (resid 7 and name C5' ) (resid 7 and name C4' ) ( resid 7 and name C3' ) 1.0 60.0 40.0 2 assign ( resid 9 and name O5' ) (resid 9 and name C5' ) (resid 9 and name C4' ) ( resid 9 and name C3' ) 1.0 60.0 40.0 2
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