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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5228 |
1gq0   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!a combination of renum_checked.tbl and 150_roe.tbl !Marked M for restraints from mardigras, H for restraints by hand !Violations of hybrid1/hybrid2_chain_a.pdb omitted for third run assign (resid 1 and name HA* )(resid 2 and name HN ) 3.5 1.0 1.0 !M !error added assign (resid 2 and name HN )(resid 2 and name HA ) 2.5 0.6 0.9 !M assign (resid 2 and name HN )(resid 2 and name HB2 ) 3.1 0.3 0.3 !H !R assign (resid 2 and name HN )(resid 4 and name HN ) 3.5 0.4 0.4 !H assign (resid 2 and name HA )(resid 2 and name HB2 ) 3.0 0.3 0.3 !H !R swapped assign (resid 2 and name HA )(resid 2 and name HB1 ) 2.9 0.3 0.3 !H !R swapped assign (resid 3 and name HB1* )(resid 4 and name HN ) 3.6 0.8 0.8 !H !TBR assign (resid 4 and name HN )(resid 4 and (name HB1* or name HB2* )) 3.0 0.6 0.6 !H !TBR assign (resid 4 and name HN )(resid 5 and name HN ) 2.5 1.0 1.0 !M !error added assign (resid 4 and name HB2* )(resid 5 and name HN ) 3.5 0.8 0.8 !H !R assign (resid 5 and name HN )(resid 5 and (name HB1* or name HB2* )) 3.2 1.3 2.0 !M !TBR assign (resid 5 and name HN )(resid 6 and name HN ) 3.9 1.1 1.3 !M assign (resid 5 and name HB1* )(resid 6 and name HN ) 2.8 1.0 0.5 !M !R assign (resid 6 and name HN )(resid 6 and name HB1* ) 3.0 1.1 1.3 !M !TBR assign (resid 6 and name HN )(resid 6 and name HB2* ) 3.2 0.8 2.0 !M !TBR assign (resid 6 and name HN )(resid 7 and name HN ) 3.1 0.3 0.3 !H assign (resid 6 and name HB1B )(resid 7 and name HN ) 3.6 1.0 1.0 !M !R swapped assign (resid 6 and name HB2* )(resid 7 and name HN ) 3.5 0.9 1.7 !M assign (resid 7 and name HN )(resid 7 and name HA2 ) 2.8 0.6 0.6 !H !R swapped assign (resid 7 and name HN )(resid 7 and name HA1 ) 2.7 0.6 0.6 !H !R swapped assign (resid 7 and name HN )(resid 8 and name HN ) 3.15 0.6 0.6 !H error x2 assign (resid 7 and name HA2 )(resid 8 and name HN ) 3.3 0.3 0.3 !H !R swapped assign (resid 7 and name HA1 )(resid 8 and name HN ) 3.4 0.3 0.3 !H !R swapped assign (resid 8 and name HN )(resid 8 and name HA ) 2.8 0.6 0.6 !H error x2 assign (resid 8 and name HN )(resid 8 and name HB1 ) 3.1 0.4 1.1 !M !R or 2.6 0.6 0.6 assign (resid 8 and name HN )(resid 8 and name HG ) 2.5 1.0 1.0 !M !error added assign (resid 8 and name HN )(resid 9 and name HN ) 3.05 0.6 0.6 !H error x2 assign (resid 8 and name HA )(resid 8 and name HB1 ) 2.5 0.3 0.3 !H !R assign (resid 8 and name HA )(resid 9 and name HN ) 2.8 0.6 0.6 !H assign (resid 8 and name HA )(resid 10 and name HN ) 3.7 0.8 0.8 !H error x2 assign (resid 9 and name HN )(resid 9 and name HB1* ) 3.0 0.6 0.6 !H !TBR error x2 assign (resid 9 and name HN )(resid 9 and name HB2* ) 3.2 0.6 0.6 !H !TBR error x2 assign (resid 10 and name HN )(resid 10 and name HB1* ) 4.0 1.2 2.0 !M !R assign (resid 10 and name HN )(resid 10 and name HB2* ) 3.1 0.4 0.8 !M !R assign (resid 10 and name HN )(resid 11 and name HD1 ) 3.5 0.4 0.4 !H !R or 2.8 0.3 0.3 assign (resid 10 and name HN )(resid 11 and name HD2 ) 2.8 0.3 0.3 !H !R or 3.5 0.4 0.4 assign (resid 10 and (name HB1* or name HB2* ))(resid 11 and name HA ) 4.8 1.0 1.0 !M !error added !TBR assign (resid 11 and name HA )(resid 11 and name HB1 ) 2.3 0.2 0.2 !H !R assign (resid 11 and name HA )(resid 12 and name HN ) 3.4 0.6 0.6 !H assign (resid 11 and name HB2 )(resid 11 and name HD1 ) 2.8 0.6 0.6 !H !R assign (resid 11 and name HB1 )(resid 12 and name HN ) 3.9 1.0 1.0 !M !R assign (resid 11 and name HG )(resid 11 and name HD2 ) 3.0 0.6 0.6 !H !R or 3.8 0.4 0.4 error x2 assign (resid 11 and name HD2 )(resid 12 and name HN ) 3.7 1.2 1.9 !M !R swapped assign (resid 12 and name HN )(resid 12 and name HA ) 3.0 0.6 0.6 !H assign (resid 12 and name HN )(resid 12 and name HB2 ) 2.5 0.3 0.3 !H !R assign (resid 12 and name HN )(resid 12 and name HG2 ) 3.0 0.3 0.3 !H !R assign (resid 12 and name HN )(resid 13 and name HN ) 2.65 0.6 0.6 !H error x2 assign (resid 12 and name HA )(resid 12 and name HB* ) 2.7 0.6 0.6 !H !TBR error x2 assign (resid 12 and name HA )(resid 12 and name HG2 ) 3.2 0.3 0.3 !H !R assign (resid 12 and name HA )(resid 14 and name HD1 ) 3.6 0.4 0.4 !H !R assign (resid 12 and name HB1 )(resid 13 and name HN ) 3.6 0.8 0.8 !H !R assign (resid 13 and name HN )(resid 13 and name HB1B ) 3.8 0.8 0.8 !H !R or 3.5 0.8 0.8 assign (resid 13 and name HN )(resid 13 and name HB2* ) 2.9 0.6 0.6 !H assign (resid 13 and name HN )(resid 14 and name HD2 ) 3.3 0.3 0.3 !H !R or 2.6 0.6 0.6 assign (resid 13 and name HB2* )(resid 14 and name HA ) 5.7 1.0 1.0 !M error added assign (resid 14 and name HA )(resid 14 and name HB1 ) 3.4 0.3 0.3 !H !TBR or 2.4 0.2 0.2 assign (resid 14 and name HA )(resid 14 and name HB2 ) 2.4 0.2 0.2 !H !TBR or 3.4 0.3 0.3 assign (resid 14 and name HA )(resid 15 and name HN ) 3.4 0.6 0.6 !H error x2 assign (resid 14 and name HB1 )(resid 14 and name HD2 ) 3.2 0.3 0.3 !M? !R assign (resid 14 and name HG )(resid 14 and name HD2 ) 2.8 0.6 0.6 !H !R or 3.7 0.4 0.4 error x2 assign (resid 15 and name HN )(resid 15 and name HB1* ) 3.3 0.5 1.6 !M !TBR (and below) assign (resid 15 and name HN )(resid 15 and name HB2* ) 2.8 0.6 0.6 !H !TBR or 2.4 0.4 0.4 assign (resid 15 and name HN )(resid 16 and name HD1 ) 3.5 1.0 1.0 !M !error added !R assign (resid 16 and name HA )(resid 17 and name HN ) 3.4 0.3 0.3 !H assign (resid 16 and name HB1 )(resid 16 and name HG2 ) 2.9 0.3 0.3 !H !R or 3.7 0.4 0.4 assign (resid 16 and name HD1 )(resid 17 and name HN ) 4.2 1.0 1.0 !M !error added !R assign (resid 17 and name HN )(resid 17 and name HA ) 2.7 1.7 0.7 !M assign (resid 17 and name HN )(resid 17 and name H2 ) 3.0 0.6 0.6 !H !R error x2 assign (resid 17 and name HA )(resid 17 and name H1 ) 3.4 0.6 0.6 !H !R error x2 assign (resid 17 and name HB2 )(resid 17 and name H1 ) 3.3 0.6 0.6 !H error x2 !R or 3.2 0.3 0.3 !all following restraints could be debatable assign (resid 2 and name HA )(resid 4 and name HN ) 3.9 0.8 0.8 !H assign (resid 4 and name HN )(resid 8 and name HA ) 3.8 0.8 0.8 !H assign (resid 7 and name HA2 )(resid 10 and name HN ) 3.9 0.4 0.4 !H !R assign (resid 12 and name HA )(resid 15 and name HN ) 4.3 1.0 1.0 !M !error added assign (resid 15 and name HB2* )(resid 16 and name HA ) 4.0 1.0 1.0 !M !error add !R assign (resid 15 and name HB1* )(resid 16 and name HD1 ) 5.7 0.8 0.8 !M !R assign (resid 15 and name HB1* )(resid 17 and name HN ) 4.0 1.0 1.0 !M !error add !R assign (resid 16 and name HB1 )(resid 17 and name HN ) 4.5 0.5 0.8 !M !R assign (resid 16 and name HB2 )(resid 17 and name HN ) 2.9 0.3 0.3 !H !R assign (resid 16 and name HG2 )(resid 17 and name HN ) 4.0 0.8 0.8 !H !R !the following restraints added from r6 method assign (resid 2 and name HB1 )(resid 4 and name HN ) 3.6 0.4 0.4 !H !R assign (resid 2 and name HB1 )(resid 5 and name HN ) 3.8 0.8 0.8 !H !R error x2 assign (resid 4 and name HB2* )(resid 6 and name HN ) 4.7 1.0 1.0 !H !R assign (resid 5 and name HN )(resid 8 and name HB1 ) 3.6 0.8 0.8 !H !R assign (resid 5 and name HB2* )(resid 8 and name HN ) 3.9 0.8 0.8 !H !R error x2 !above restraint could be 10 HB1*/2* to 8HN assign (resid 17 and name HN )(resid 17 and name HB1 ) 2.7 0.6 0.6 !H !R or 4.2 0.4 0.4 error x2 assign (resid 17 and name HN )(resid 17 and name HB2 ) 4.2 0.8 0.8 !H !R or 2.7 0.3 0.3 error x2
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