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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5511 |
1hlx   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
!noe obtained from 2D spectrum in H2o involve exchangeable protons !transhelix constraint H2 to H1' assign (resid 4 and name H2) (resid 18 and name H1') 3.5 1.7 1.5 !2 corr assign (resid 6 and name H2) (resid 16 and name H1') 3.5 1.7 1.5 !6 corr assign (resid 7 and name H2) (resid 15 and name H1') 3.5 1.7 1.5 !5 corr !non noe !assign (resid 9 and name H2'') (resid 10 and name H3') 5.0 0.0 16.0 !fred !assign (resid 9 and name H3') (resid 10 and name H6) 5.0 0.0 16.0 !fred !list of noe constraints obtained from the 2DNOESY spectrum in H2O of P1helix !base-pair noe assign (resid 2 and name H1) (resid 19 and name HN'') 3.5 1.7 0.5 assign (resid 3 and name H1) (resid 18 and name HN'') 3.5 1.7 0.5 assign (resid 4 and name H2) (resid 17 and name H3) 2.4 0.6 0.6 assign (resid 4 and name HN') (resid 17 and name H3) 3.5 1.7 0.5 assign (resid 5 and name H3) (resid 16 and name H1) 2.4 0.6 0.6 assign (resid 6 and name H2) (resid 15 and name H3) 2.4 0.6 0.6 assign (resid 6 and name HN') (resid 15 and name H3) 3.5 1.7 0.5 assign (resid 7 and name H2) (resid 14 and name H3) 2.4 0.6 0.6 assign (resid 7 and name HN') (resid 14 and name H3) 3.5 1.7 0.5 assign (resid 8 and name HN'') (resid 13 and name H1) 3.5 1.7 0.5 !internucleotide noe imino-imino assign (resid 2 and name H1) (resid 3 and name H1) 3.5 1.7 1.5 assign (resid 3 and name H1) (resid 17 and name H3) 3.5 1.7 1.5 assign (resid 17 and name H3) (resid 5 and name H3) 3.5 1.7 1.5 assign (resid 17 and name H3) (resid 16 and name H1) 3.5 1.7 1.5 assign (resid 5 and name H3) (resid 15 and name H3) 3.5 1.7 1.5 assign (resid 15 and name H3) (resid 14 and name H3) 3.5 1.7 1.5 assign (resid 14 and name H3) (resid 13 and name H1) 3.5 1.7 1.5 assign (resid 13 and name H1) (resid 12 and name H1) 3.5 1.7 1.5 ! internucleotide noe AH2-imino assign (resid 4 and name H2) (resid 3 and name H1) 3.5 1.7 1.5 assign (resid 4 and name H2) (resid 5 and name H3) 3.5 1.7 2.5 assign (resid 6 and name H2) (resid 5 and name H3) 3.5 1.7 1.5 assign (resid 7 and name H2) (resid 15 and name H3) 3.5 1.7 1.5 !new noe assign (resid 2 and name H1) (resid 3 and name HN') 3.5 1.7 2.5 assign (resid 2 and name H1) (resid 3 and name H1') 3.5 1.7 2.5 !assign (resid 2 and name H1) (resid 19 and name H6) 3.5 1.7 2.5 !assign (resid 2 and name H1) (resid 20 and name H6) 3.5 1.7 2.5 !assign (resid 3 and name H1) (resid 19 and name H6) 3.5 1.7 2.5 !assign (resid 3 and name HN') (resid 3 and name H1') 3.5 1.7 2.5 !assign (resid 3 and name HN') (resid 4 and name H8) 3.5 1.7 2.5 assign (resid 4 and name HN'') (resid 5 and name H3) 3.5 1.7 2.5 assign (resid 5 and name H3) (resid 16 and name HN'') 3.5 1.7 1.5 assign (resid 8 and name HN'') (resid 7 and name H2) 3.5 1.7 2.5 assign (resid 11 and name HN') (resid 9 and name H3') 3.5 1.7 1.5 assign (resid 11 and name HN') (resid 9 and name H6) 3.5 1.7 2.5 assign (resid 11 and name HN'') (resid 9 and name H6) 3.5 1.7 2.5 assign (resid 11 and name HN') (resid 9 and name H2'') 3.5 1.7 2.5 assign (resid 11 and name HN'') (resid 9 and name H2'') 3.5 1.7 2.5 assign (resid 12 and name H1) (resid 9 and name H2'') 3.5 1.7 1.5 assign (resid 12 and name H1) (resid 9 and name H6) 3.5 1.7 2.5 assign (resid 12 and name H1) (resid 9 and name H1') 3.5 1.7 1.5 !assign (resid 12 and name H1) (resid 9 and name H5) 3.5 1.7 2.5 wrong before assign (resid 12 and name H1) (resid 11 and name H1') 3.5 1.7 1.5 assign (resid 12 and name H1) (resid 11 and name H5) 3.5 1.7 2.5 assign (resid 12 and name H1) (resid 13 and name H8) 3.5 1.7 2.5 assign (resid 12 and name H1) (resid 13 and name HN'') 3.5 1.7 2.5 assign (resid 9 and name H2') (resid 9 and name H2'') 3.5 1.7 1.5 assign (resid 9 and name H2') (resid 10 and name H2'') 3.5 1.7 2.5 assign (resid 13 and name H1) (resid 9 and name H2'') 3.5 1.7 2.5 assign (resid 13 and name H1) (resid 7 and name H2) 3.5 1.7 1.5 assign (resid 13 and name HN'') (resid 7 and name H2) 3.5 1.7 2.5 assign (resid 14 and name H3) (resid 6 and name H2) 3.5 1.7 2.5 assign (resid 14 and name H3) (resid 13 and name HN') 3.5 1.7 1.5 assign (resid 15 and name H3) (resid 7 and name HN') 3.5 1.7 2.5 assign (resid 15 and name H3) (resid 7 and name HN'') 3.5 1.7 2.5 assign (resid 16 and name H1) (resid 4 and name H2) 3.5 1.7 2.5 assign (resid 17 and name H3) (resid 18 and name HN') 3.5 1.7 1.5 !noe from biochem paper assign (resid 9 and name H3) (resid 12 and name H1) 3.5 1.7 1.5 assign (resid 9 and name H3) (resid 13 and name H1) 3.5 1.7 1.5 !assign (resid 9 and name H3) (resid 8 and name HN') 3.5 1.7 1.5 !new noe with structuregab assign (resid 9 and name H5) (resid 11 and name HN') 3.5 1.7 2.5 assign (resid 9 and name H4') (resid 12 and name H1) 3.5 1.7 1.5 !chfred assign (resid 11 and name H6) (resid 12 and name H1) 3.5 1.7 2.5 assign (resid 16 and name H1) (resid 5 and name H2'') 3.5 1.7 1.5 assign (resid 16 and name H1) (resid 6 and name H8) 3.5 1.7 2.5 assign (resid 16 and name H1) (resid 6 and name H1') 3.5 1.7 1.5 assign (resid 16 and name H1) (resid 17 and name H1') 3.5 1.7 1.5 assign (resid 16 and name H1) (resid 5 and name H1') 3.5 1.7 1.5 assign (resid 5 and name H3) (resid 6 and name H8) 3.5 1.7 2.5 assign (resid 5 and name H3) (resid 6 and name HN') 3.5 1.7 1.5 assign (resid 5 and name H3) (resid 6 and name HN'') 3.5 1.7 1.5 assign (resid 5 and name H3) (resid 4 and name HN'') 3.5 1.7 1.5 assign (resid 15 and name H3) (resid 6 and name HN'') 3.5 1.7 1.5 assign (resid 13 and name H1) (resid 9 and name H6) 3.5 1.7 2.5 assign (resid 13 and name H1) (resid 8 and name HN') 3.5 1.7 2.5 assign (resid 13 and name H1) (resid 8 and name H2'') 3.5 1.7 2.5 assign (resid 14 and name H3) (resid 13 and name HN'') 3.5 1.7 1.5 assign (resid 17 and name H3) (resid 18 and name HN'') 3.5 1.7 2.5 assign (resid 17 and name H3) (resid 4 and name HN'') 3.5 1.7 2.5 assign (resid 3 and name H1) (resid 18 and name HN'') 3.5 1.7 1.5 assign (resid 3 and name HN'') (resid 19 and name H1') 3.5 1.7 1.5 assign (resid 2 and name H1) (resid 20 and name HN'') 3.5 1.7 2.5 assign (resid 2 and name H1) (resid 19 and name HN') 3.5 1.7 2.5 assign (resid 8 and name HN') (resid 9 and name H5) 3.5 1.7 2.5 assign (resid 8 and name HN') (resid 7 and name HN'') 3.5 1.7 1.5 assign (resid 8 and name HN') (resid 7 and name H8) 3.5 1.7 2.5 assign (resid 9 and name H2') (resid 9 and name H1') 3.5 1.7 1.5 assign (resid 9 and name H2') (resid 9 and name H4') 3.5 1.7 2.5 !addfred !assign (resid 9 and name H2') (resid 10 and name H1') 3.5 1.7 1.5 !addfred assign (resid 9 and name H2') (resid 10 and name H2'') 3.5 1.7 2.5 !addfred !assign (resid 9 and name H2') (resid 11 and name H5) 3.5 1.7 1.5 !addfred assign (resid 9 and name H2') (resid 11 and name H6) 3.5 1.7 2.5 !addfred assign (resid 13 and name H1) (resid 9 and name H1') 3.5 1.7 1.5 assign (resid 13 and name H1) (resid 14 and name H1') 3.5 1.7 1.5 assign (resid 13 and name HN') (resid 7 and name H2) 3.5 1.7 2.5 assign (resid 13 and name HN') (resid 9 and name H1') 3.5 1.7 1.5 assign (resid 13 and name HN'') (resid 9 and name H1') 3.5 1.7 1.5 assign (resid 16 and name HN') (resid 6 and name H1') 3.5 1.7 1.5 assign (resid 16 and name HN'') (resid 6 and name H1') 3.5 1.7 1.5 !new noe with structurefred assign (resid 3 and name H1) (resid 18 and name H1') 3.5 1.7 1.5 assign (resid 16 and name HN'') (resid 5 and name H1') 3.5 1.7 2.5 assign (resid 5 and name H3) (resid 4 and name HN') 3.5 1.7 1.5 assign (resid 8 and name H1') (resid 13 and name HN'') 3.5 1.7 1.5 assign (resid 8 and name H2'') (resid 13 and name HN'') 3.5 1.7 1.5 assign (resid 13 and name H1) (resid 7 and name HN') 3.5 1.7 1.5 assign (resid 13 and name H1) (resid 14 and name H3) 3.5 1.7 1.5 assign (resid 14 and name H1') (resid 13 and name HN') 3.5 1.7 0.5 assign (resid 14 and name H1') (resid 13 and name HN'') 3.5 1.7 0.5 assign (resid 14 and name H3) (resid 14 and name H2'') 3.5 1.7 1.5 assign (resid 14 and name H3) (resid 8 and name HN'') 3.5 1.7 1.5 assign (resid 15 and name H3) (resid 16 and name H8) 3.5 1.7 1.5 assign (resid 15 and name H3) (resid 16 and name H8) 3.5 1.7 1.5 assign (resid 17 and name H1') (resid 16 and name HN') 3.5 1.7 1.5 assign (resid 17 and name H1') (resid 16 and name HN'') 3.5 1.7 1.5 !non noe !assign (resid 12 and name HN'') (resid 11 and name H1') 4.5 0.0 10.0 !addfred !new1110 assign (resid 12 and name H1) (resid 11 and name H2'') 3.5 1.7 2.5 assign (resid 12 and name H1) (resid 10 and name H3') 3.5 1.7 2.5 assign (resid 9 and name H2') (resid 12 and name H1) 3.5 1.7 1.5
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