NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
6919 | 1jp0 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!P5.1 noes Best V, table without extensive comments. ! assign (resid 1 and name H8 ) (resid 1 and name H1' ) 3.2 1.0 1.0 assign (resid 1 and name H8 ) (resid 1 and name H3' ) 2.5 0.7 0.7 assign (resid 1 and name H1' ) (resid 2 and name H8 ) 4.2 0.8 0.8 assign (resid 1 and name H1' ) (resid 1 and name H4' ) 3.2 1.0 1.0 assign (resid 1 and name H2' ) (resid 1 and name H8 ) 4.2 0.8 0.8 assign (resid 1 and name H2' ) (resid 2 and name H8 ) 2.4 0.6 0.6 assign (resid 1 and name H2' ) (resid 2 and name H5' ) 3.2 1.0 1.0 assign (resid 1 and name H2' ) (resid 2 and name H5'') 3.2 0.8 0.8 assign (resid 1 and name H2' ) (resid 2 and name H4' ) 3.2 0.8 0.8 assign (resid 1 and name H2' ) (resid 2 and name H3' ) 3.2 1.0 1.0 assign (resid 1 and name H2' ) (resid 2 and name H1' ) 3.2 1.0 1.0 assign (resid 1 and name H3' ) (resid 2 and name H5' ) 4.2 0.8 0.8 assign (resid 1 and name H3' ) (resid 2 and name H5'') 4.2 0.8 0.8 ! assign (resid 2 and name H8 ) (resid 3 and name H5 ) 4.0 1.2 1.2 assign (resid 2 and name H8 ) (resid 2 and name H2' ) 4.2 0.8 0.8 assign (resid 2 and name H8 ) (resid 2 and name H3' ) 2.5 0.7 0.7 assign (resid 2 and name H8 ) (resid 3 and name H6 ) 4.2 0.8 0.8 assign (resid 2 and name H1' ) (resid 3 and name H5' ) 4.2 0.8 0.8 assign (resid 2 and name H2' ) (resid 3 and name H5'') 4.2 1.0 1.0 assign (resid 2 and name H2' ) (resid 3 and name H5' ) 2.5 0.7 0.7 assign (resid 2 and name H2' ) (resid 3 and name H4' ) 3.2 1.0 1.0 assign (resid 2 and name H2' ) (resid 3 and name H3' ) 4.2 0.8 0.8 assign (resid 2 and name H3' ) (resid 3 and name H6 ) 2.5 0.7 0.7 assign (resid 2 and name H3' ) (resid 3 and name H5 ) 3.5 1.0 1.0 assign (resid 2 and name H5'#) (resid 2 and name H3' ) 3.5 1.7 1.7 assign (resid 2 and name H5'#) (resid 2 and name H4' ) 3.0 1.2 1.2 assign (resid 2 and name H5'#) (resid 3 and name H5 ) 4.2 0.8 0.8 assign (resid 2 and name H5'#) (resid 3 and name H6 ) 4.2 0.8 0.8 ! assign (resid 3 and name H6 ) (resid 2 and name H1' ) 4.2 0.8 0.8 assign (resid 3 and name H6 ) (resid 2 and name H2' ) 2.4 0.6 0.6 assign (resid 3 and name H6 ) (resid 2 and name H4' ) 4.0 1.2 1.2 assign (resid 3 and name H5 ) (resid 2 and name H2' ) 4.0 1.2 1.2 assign (resid 3 and name H1' ) (resid 3 and name H6 ) 3.2 1.0 1.0 assign (resid 3 and name H1' ) (resid 4 and name H8 ) 4.2 0.8 0.8 assign (resid 3 and name H1' ) (resid 2 and name H2' ) 4.2 0.8 0.8 assign (resid 3 and name H1' ) (resid 4 and name H5'') 4.2 0.8 0.8 assign (resid 3 and name H2' ) (resid 3 and name H6 ) 4.2 0.8 0.8 assign (resid 3 and name H2' ) (resid 4 and name H8 ) 2.5 0.7 0.7 assign (resid 3 and name H2' ) (resid 4 and name H1' ) 4.2 0.8 0.8 assign (resid 3 and name H2' ) (resid 3 and name H5 ) 4.0 1.2 2.0 !likely caused by S.D. assign (resid 3 and name H2' ) (resid 4 and name H5' ) 2.5 0.7 0.7 assign (resid 3 and name H2' ) (resid 4 and name H4' ) 3.4 0.8 0.8 assign (resid 3 and name H2' ) (resid 4 and name H5'') 3.4 0.8 0.8 assign (resid 3 and name H3' ) (resid 3 and name H6 ) 2.5 0.7 0.7 assign (resid 3 and name H3' ) (resid 4 and name H5' ) 2.5 0.7 0.7 assign (resid 3 and name H3' ) (resid 4 and name H5'') 4.2 0.8 0.8 assign (resid 3 and name H3' ) (resid 4 and name H8 ) 4.2 0.8 0.8 assign (resid 3 and name H5'#) (resid 3 and name H3' ) 3.5 1.7 1.7 assign (resid 3 and name H5'#) (resid 3 and name H4' ) 3.0 1.2 1.2 ! assign (resid 4 and name H8 ) (resid 4 and name H1' ) 4.2 0.8 0.8 assign (resid 4 and name H2' ) (resid 4 and name H8 ) 4.2 0.8 0.8 assign (resid 4 and name H2' ) (resid 5 and name H8 ) 2.4 0.6 0.6 assign (resid 4 and name H2' ) (resid 5 and name H1' ) 4.2 0.8 0.8 assign (resid 4 and name H3' ) (resid 5 and name H8 ) 3.2 0.8 0.8 assign (resid 4 and name H3' ) (resid 5 and name H2' ) 4.0 1.2 1.2 assign (resid 4 and name H3' ) (resid 4 and name H8 ) 2.8 0.8 0.8 assign (resid 4 and name H4' ) (resid 4 and name H8 ) 4.0 1.2 1.2 assign (resid 4 and name H4' ) (resid 4 and name H1' ) 4.0 1.2 1.2 assign (resid 4 and name H5'#) (resid 4 and name H3' ) 3.5 1.7 1.7 assign (resid 4 and name H5'#) (resid 4 and name H4' ) 3.0 1.2 1.2 ! assign (resid 5 and name H8 ) (resid 5 and name H1' ) 3.2 1.0 1.0 assign (resid 5 and name H8 ) (resid 4 and name H1' ) 4.2 0.8 0.8 assign (resid 5 and name H8 ) (resid 5 and name H3' ) 2.5 0.7 0.7 assign (resid 5 and name H1' ) (resid 7 and name H3' ) 4.2 1.0 1.0 !Wild assign (resid 5 and name H2' ) (resid 7 and name H8 ) 2.5 0.7 0.7 !Wild assign (resid 5 and name H2' ) (resid 5 and name H8 ) 4.2 1.2 0.8 assign (resid 5 and name H5'#) (resid 5 and name H3' ) 3.5 1.7 1.7 assign (resid 5 and name H5'#) (resid 5 and name H4' ) 3.5 1.7 1.2 assign (resid 5 and name H5'#) (resid 6 and name H2' ) 3.5 1.7 1.7 assign (resid 5 and name H5'#) (resid 7 and name H8 ) 4.0 1.2 2.0 !Wild, likely caused by S.D. ! assign (resid 6 and name H6 ) (resid 6 and name H1' ) 4.2 1.0 1.0 assign (resid 6 and name H6 ) (resid 6 and name H3' ) 2.5 0.7 0.7 assign (resid 6 and name H6 ) (resid 5 and name H2' ) 4.2 1.0 1.0 assign (resid 6 and name H6 ) (resid 6 and name H2' ) 3.2 1.0 1.0 assign (resid 6 and name H5 ) (resid 5 and name H2' ) 4.2 1.0 1.0 assign (resid 6 and name H5 ) (resid 6 and name H2' ) 4.2 1.0 1.0 assign (resid 6 and name H5 ) (resid 6 and name H1' ) 4.2 1.0 1.0 assign (resid 6 and name H1' ) (resid 6 and name H4' ) 3.2 1.0 1.0 assign (resid 6 and name H2' ) (resid 5 and name H1' ) 2.5 0.7 0.7 assign (resid 6 and name H3' ) (resid 5 and name H1' ) 2.5 0.7 0.7 assign (resid 6 and name H4' ) (resid 6 and name H6 ) 4.2 1.0 1.0 ! assign (resid 7 and name H8 ) (resid 7 and name H2' ) 4.2 0.8 0.8 assign (resid 7 and name H8 ) (resid 7 and name H3' ) 2.5 0.7 0.7 assign (resid 7 and name H8 ) (resid 6 and name H2' ) 4.2 1.0 1.0 assign (resid 7 and name H1' ) (resid 7 and name H8 ) 4.2 0.8 0.8 assign (resid 7 and name H1' ) (resid 5 and name H2' ) 4.0 1.2 2.0 !Wild, likely caused by S.D. assign (resid 7 and name H2' ) (resid 8 and name H6 ) 2.5 0.7 0.7 assign (resid 7 and name H2' ) (resid 6 and name H3' ) 4.2 1.0 1.0 assign (resid 7 and name H3' ) (resid 8 and name H6 ) 3.2 1.0 1.0 assign (resid 7 and name H4' ) (resid 7 and name H8 ) 4.2 0.8 0.8 assign (resid 7 and name H4' ) (resid 6 and name H2' ) 3.2 1.0 1.0 assign (resid 7 and name H4' ) (resid 7 and name H1' ) 3.2 1.0 1.0 assign (resid 7 and name H5'#) (resid 7 and name H3' ) 3.5 1.7 1.7 assign (resid 7 and name H5'#) (resid 7 and name H4' ) 3.0 1.2 1.2 assign (resid 7 and name H5'#) (resid 7 and name H2' ) 3.5 1.7 1.7 ! assign (resid 8 and name H6 ) (resid 7 and name H1' ) 4.2 0.8 0.8 assign (resid 8 and name H6 ) (resid 8 and name H1' ) 3.2 1.0 1.0 assign (resid 8 and name H6 ) (resid 8 and name H2' ) 4.2 0.8 0.8 assign (resid 8 and name H6 ) (resid 8 and name H3' ) 2.5 0.7 0.7 assign (resid 8 and name H6 ) (resid 9 and name H6 ) 4.2 1.0 1.0 assign (resid 8 and name H5 ) (resid 7 and name H3' ) 4.2 0.8 0.8 assign (resid 8 and name H5 ) (resid 7 and name H1' ) 4.2 0.8 0.8 assign (resid 8 and name H5 ) (resid 7 and name H2' ) 4.2 0.8 0.8 assign (resid 8 and name H1' ) (resid 9 and name H6 ) 4.2 1.0 1.0 assign (resid 8 and name H1' ) (resid 7 and name H2' ) 4.2 0.8 0.8 assign (resid 8 and name H2' ) (resid 9 and name H6 ) 2.8 1.0 1.0 assign (resid 8 and name H2' ) (resid 7 and name H2' ) 4.2 0.8 0.8 assign (resid 8 and name H2' ) (resid 9 and name H5 ) 4.2 1.0 1.0 assign (resid 8 and name H2' ) (resid 9 and name H3' ) 3.5 1.7 1.7 assign (resid 8 and name H2' ) (resid 9 and name H2' ) 3.5 1.0 1.0 assign (resid 8 and name H3' ) (resid 9 and name H2' ) 4.2 1.0 1.0 assign (resid 8 and name H4' ) (resid 8 and name H6 ) 4.2 1.0 1.0 ! assign (resid 9 and name H6 ) (resid 9 and name H3' ) 3.6 1.0 1.0 assign (resid 9 and name H6 ) (resid 8 and name H3' ) 4.2 0.8 0.8 assign (resid 9 and name H5 ) (resid 9 and name H2' ) 4.2 1.0 1.0 assign (resid 9 and name H5 ) (resid 8 and name H3' ) 3.6 1.0 1.0 !assign (resid 9 and name H5 ) (resid 8 and name H3' ) 3.6 1.0 1.0 !Duplicate assign (resid 9 and name H1' ) (resid 9 and name H6 ) 3.6 1.0 1.0 assign (resid 9 and name H1' ) (resid 9 and name H4' ) 3.6 1.0 1.0 assign (resid 9 and name H2' ) (resid 9 and name H6 ) 3.6 1.0 1.0 !assign (resid 9 and name H2' ) (resid 10 and name H8 ) 3.6 1.0 1.0 !Duplicate assign (resid 9 and name H2' ) (resid 8 and name H6 ) 4.2 0.8 1.2 !assign (resid 9 and name H2' ) (resid 10 and name H4' ) 4.2 0.8 1.0 !Duplicate assign (resid 9 and name H2' ) (resid 9 and name H5'#) 3.5 1.7 1.7 ! assign (resid 10 and name H8 ) (resid 13 and name H1' ) 4.2 1.0 1.0 assign (resid 10 and name H8 ) (resid 9 and name H2' ) 3.6 1.0 1.0 assign (resid 10 and name H8 ) (resid 13 and name H2' ) 4.2 1.0 1.0 assign (resid 10 and name H8 ) (resid 9 and name H3' ) 3.6 1.0 1.0 assign (resid 10 and name H8 ) (resid 14 and name H5 ) 3.5 1.7 1.7 assign (resid 10 and name H1' ) (resid 10 and name H2# ) 3.5 1.7 1.7 assign (resid 10 and name H1' ) (resid 11 and name H1' ) 3.5 1.7 1.7 assign (resid 10 and name H1' ) (resid 11 and name H2' ) 3.5 1.7 1.7 assign (resid 10 and name H1' ) (resid 11 and name H3' ) 3.5 1.7 1.7 assign (resid 10 and name H1' ) (resid 9 and name H5'#) 3.5 1.7 1.7 assign (resid 10 and name H2' ) (resid 9 and name H4' ) 3.2 1.0 1.0 assign (resid 10 and name H2' ) (resid 9 and name H3' ) 3.5 1.0 1.0 assign (resid 10 and name H2' ) (resid 9 and name H2' ) 3.2 1.0 1.0 assign (resid 10 and name H2' ) (resid 10 and name H5'#) 4.2 0.8 0.8 assign (resid 10 and name H4' ) (resid 13 and name H1' ) 3.8 1.7 2.0 assign (resid 10 and name H4' ) (resid 9 and name H2' ) 3.5 1.7 1.7 assign (resid 10 and name H4' ) (resid 9 and name H3' ) 3.5 1.7 1.7 assign (resid 10 and name H4' ) (resid 12 and name H2' ) 3.5 1.7 1.7 assign (resid 10 and name H4' ) (resid 11 and name H8 ) 4.2 1.0 1.0 assign (resid 10 and name H4' ) (resid 13 and name H2' ) 3.2 1.0 1.0 assign (resid 10 and name H4' ) (resid 11 and name H4' ) 4.2 1.0 1.0 assign (resid 10 and name H4' ) (resid 11 and name H3' ) 4.2 1.0 1.0 assign (resid 10 and name H5' ) (resid 10 and name H4' ) 2.8 1.0 1.0 assign (resid 10 and name H5'') (resid 10 and name H4' ) 2.8 1.0 1.0 assign (resid 10 and name H5' ) (resid 13 and name H2' ) 3.5 1.7 1.7 assign (resid 10 and name H5'') (resid 13 and name H2' ) 3.5 1.7 1.7 assign (resid 10 and name H5'#) (resid 9 and name H4' ) 4.2 0.8 0.8 assign (resid 10 and name H5'#) (resid 9 and name H3' ) 2.8 1.0 1.0 ! assign (resid 11 and name H8 ) (resid 11 and name H61 ) 4.2 1.0 1.0 assign (resid 11 and name H8 ) (resid 11 and name H1' ) 2.4 0.5 0.5 assign (resid 11 and name H8 ) (resid 13 and name H1' ) 4.2 1.0 1.0 assign (resid 11 and name H8 ) (resid 12 and name H2' ) 2.8 1.0 1.0 assign (resid 11 and name H8 ) (resid 11 and name H2' ) 2.8 1.0 1.0 assign (resid 11 and name H8 ) (resid 11 and name H3' ) 3.2 1.0 1.0 assign (resid 11 and name H8 ) (resid 12 and name H4' ) 4.2 1.0 1.0 assign (resid 11 and name H8 ) (resid 12 and name H5'#) 4.2 1.0 1.0 assign (resid 11 and name H8 ) (resid 12 and name H8 ) 4.2 1.0 1.0 assign (resid 11 and name H1' ) (resid 12 and name H8 ) 2.8 1.0 1.0 assign (resid 11 and name H1' ) (resid 10 and name H3' ) 3.5 1.0 1.0 assign (resid 11 and name H1' ) (resid 10 and name H4' ) 3.5 1.3 1.0 assign (resid 11 and name H1' ) ((resid 13 and name H3' ) or (resid 12 and name H4' )) 4.0 1.2 1.2 assign (resid 11 and name H1' ) (resid 12 and name H5'#) 3.8 1.0 1.0 assign (resid 11 and name H1' ) (resid 10 and name H5'#) 4.2 1.0 1.0 assign (resid 11 and name H1' ) (resid 12 and name H2' ) 2.8 1.0 1.0 assign (resid 11 and name H1' ) (resid 12 and name H5'#) 4.0 1.2 1.2 assign (resid 11 and name H2' ) (resid 12 and name H8 ) 3.5 1.7 1.7 assign (resid 11 and name H2' ) (resid 12 and name H3' ) 4.2 1.0 0.8 assign (resid 11 and name H3' ) (resid 12 and name H5'#) 3.5 1.0 1.0 assign (resid 11 and name H4' ) (resid 12 and name H5'#) 4.2 0.8 0.8 assign (resid 11 and name H5' ) (resid 11 and name H3' ) 3.5 0.7 0.7 assign (resid 11 and name H5'') (resid 11 and name H3' ) 2.5 0.7 0.7 assign (resid 11 and name H5' ) (resid 10 and name H4' ) 4.0 1.2 1.2 assign (resid 11 and name H5'') (resid 10 and name H4' ) 4.0 1.2 1.2 assign (resid 11 and name H5' ) (resid 12 and name H5'#) 4.2 1.0 1.0 assign (resid 11 and name H5'') (resid 12 and name H5'#) 4.2 1.0 1.0 assign (resid 11 and name H2 ) (resid 11 and name H3' ) 3.5 0.8 0.8 assign (resid 11 and name H2 ) (resid 11 and name H5'#) 3.5 1.0 1.0 ! !assign (resid 12 and name H8 ) (resid 12 and name H1' ) 3.2 1.0 1.0 !Duplicate assign (resid 12 and name H8 ) (resid 13 and name H1' ) 4.2 1.0 1.0 assign (resid 12 and name H8 ) (resid 12 and name H3' ) 3.5 1.0 1.0 assign (resid 12 and name H8 ) (resid 12 and name H2' ) 2.8 1.0 1.0 assign (resid 12 and name H8 ) (resid 12 and name H5'#) 3.5 1.0 1.0 assign (resid 12 and name H1' ) (resid 11 and name H8 ) 4.2 1.0 1.0 assign (resid 12 and name H1' ) (resid 13 and name H2 ) 3.6 1.7 1.7 assign (resid 12 and name H1' ) (resid 12 and name H8 ) 3.2 1.0 1.0 assign (resid 12 and name H2' ) (resid 13 and name H5'#) 4.2 0.8 0.8 assign (resid 12 and name H2' ) (resid 13 and name H2' ) 4.2 1.0 0.8 assign (resid 12 and name H3' ) (resid 13 and name H5'#) 4.2 0.8 0.8 assign (resid 12 and name H3' ) (resid 13 and name H2' ) 4.2 0.8 1.2 assign (resid 12 and name H4' ) (resid 11 and name H3' ) 3.6 1.7 1.7 assign (resid 12 and name H4' ) ((resid 10 and name H3' ) or (resid 11 and name H3' )) 3.6 1.7 1.7 assign (resid 12 and name H4' ) (resid 11 and name H2' ) 3.6 1.7 1.7 assign (resid 12 and name H4' ) (resid 12 and name H5' ) 2.8 1.0 1.0 assign (resid 12 and name H4' ) (resid 12 and name H5'') 2.8 1.0 1.0 ! assign (resid 13 and name H8 ) (resid 14 and name H1' ) 3.6 1.0 1.0 assign (resid 13 and name H8 ) (resid 13 and name H2' ) 4.2 0.8 0.8 ! assign (resid 14 and name H6 ) (resid 14 and name H3' ) 2.8 1.0 1.0 assign (resid 14 and name H6 ) (resid 13 and name H4' ) 4.2 1.0 1.0 assign (resid 14 and name H5 ) (resid 13 and name H4' ) 4.2 1.0 1.0 assign (resid 14 and name H5 ) (resid 14 and name H3' ) 3.6 1.0 1.0 assign (resid 14 and name H5 ) (resid 13 and name H3' ) 4.2 1.0 1.0 assign (resid 14 and name H5 ) (resid 9 and name H2' ) 4.6 0.8 0.8 assign (resid 14 and name H1' ) (resid 14 and name H6 ) 4.2 1.0 1.0 assign (resid 14 and name H1' ) (resid 13 and name H2 ) 4.2 1.0 1.0 assign (resid 14 and name H1' ) (resid 13 and name H4' ) 4.2 1.0 1.0 assign (resid 14 and name H2' ) (resid 15 and name H8 ) 3.6 1.0 1.0 assign (resid 14 and name H3' ) (resid 15 and name H8 ) 3.6 1.0 1.0 ! assign (resid 15 and name H8 ) (resid 14 and name H6 ) 4.2 0.8 0.8 assign (resid 15 and name H8 ) (resid 15 and name H1' ) 3.2 1.0 1.0 assign (resid 15 and name H8 ) (resid 15 and name H3' ) 2.5 0.7 0.7 assign (resid 15 and name H8 ) (resid 16 and name H5 ) 4.2 1.0 0.8 assign (resid 15 and name H1' ) (resid 16 and name H6 ) 4.2 0.8 0.8 assign (resid 15 and name H1' ) (resid 14 and name H2' ) 2.5 0.7 0.7 assign (resid 15 and name H1' ) (resid 14 and name H5 ) 4.2 1.0 1.0 assign (resid 15 and name H1' ) (resid 14 and name H1' ) 4.2 1.0 0.8 assign (resid 15 and name H2' ) (resid 16 and name H6 ) 2.5 0.7 0.7 assign (resid 15 and name H2' ) (resid 15 and name H8 ) 4.2 0.8 0.8 assign (resid 15 and name H2' ) (resid 14 and name H1' ) 5.0 1.0 1.0 !likely caused by S.D. assign (resid 15 and name H2' ) (resid 16 and name H4' ) 2.8 1.0 1.0 assign (resid 15 and name H2' ) (resid 16 and name H1' ) 4.2 1.0 0.8 assign (resid 15 and name H3' ) (resid 16 and name H6 ) 3.2 1.0 1.0 assign (resid 15 and name H3' ) (resid 16 and name H5 ) 4.2 0.8 0.8 assign (resid 15 and name H3' ) (resid 14 and name H2' ) 3.2 0.8 0.8 assign (resid 15 and name H4' ) (resid 16 and name H6 ) 4.0 1.2 1.2 assign (resid 15 and name H4' ) (resid 14 and name H2' ) 3.2 0.8 0.8 assign (resid 15 and name H4' ) (resid 15 and name H8 ) 4.2 1.0 0.8 assign (resid 15 and name H5'#) (resid 15 and name H8 ) 4.2 0.8 0.8 assign (resid 15 and name H5'#) (resid 15 and name H3' ) 2.8 1.0 1.0 assign (resid 15 and name H5'#) (resid 14 and name H2' ) 2.5 0.7 0.7 ! assign (resid 16 and name H6 ) (resid 15 and name H8 ) 3.2 1.0 1.0 assign (resid 16 and name H6 ) (resid 16 and name H3' ) 2.5 0.7 0.7 assign (resid 16 and name H6 ) (resid 16 and name H1' ) 3.2 1.0 1.0 assign (resid 16 and name H1' ) (resid 15 and name H3' ) 4.2 0.8 0.8 assign (resid 16 and name H2' ) (resid 17 and name H6 ) 2.5 0.7 0.7 assign (resid 16 and name H2' ) (resid 16 and name H6 ) 4.2 0.8 0.8 assign (resid 16 and name H2' ) (resid 17 and name H1' ) 3.2 1.0 1.0 assign (resid 16 and name H3' ) (resid 17 and name H5 ) 4.2 0.8 0.8 assign (resid 16 and name H3' ) (resid 17 and name H6 ) 3.6 0.6 0.6 ! assign (resid 17 and name H6 ) (resid 18 and name H1' ) 4.2 0.8 1.0 assign (resid 17 and name H6 ) (resid 17 and name H3' ) 2.5 0.7 0.7 assign (resid 17 and name H6 ) (resid 17 and name H2' ) 4.2 0.8 0.8 assign (resid 17 and name H2' ) (resid 18 and name H6 ) 2.5 0.7 0.7 assign (resid 17 and name H3' ) (resid 18 and name H6 ) 2.5 0.8 0.8 assign (resid 17 and name H5'#) (resid 17 and name H3' ) 3.5 1.7 1.7 assign (resid 17 and name H5'#) (resid 17 and name H4' ) 3.0 1.2 1.2 ! assign (resid 18 and name H6 ) (resid 18 and name H2' ) 4.2 0.8 0.8 assign (resid 18 and name H6 ) (resid 18 and name H3' ) 2.5 0.7 0.7 assign (resid 18 and name H5 ) (resid 17 and name H3' ) 3.5 0.8 0.8 assign (resid 18 and name H1' ) (resid 19 and name H8 ) 4.2 0.8 0.8 assign (resid 18 and name H1' ) (resid 17 and name H3' ) 4.2 0.8 0.8 assign (resid 18 and name H1' ) (resid 17 and name H2' ) 3.2 1.0 1.0 assign (resid 18 and name H2' ) (resid 19 and name H8 ) 2.5 0.7 0.7 assign (resid 18 and name H2' ) (resid 19 and name H1' ) 4.2 0.8 0.8 assign (resid 18 and name H2' ) (resid 17 and name H2' ) 4.2 0.8 1.0 assign (resid 18 and name H3' ) (resid 19 and name H8 ) 2.6 0.8 0.8 assign (resid 18 and name H3' ) (resid 18 and name H5 ) 3.2 1.0 1.0 assign (resid 18 and name H3' ) (resid 17 and name H2' ) 4.2 0.8 0.8 ! assign (resid 19 and name H8 ) (resid 18 and name H6 ) 4.2 0.8 0.8 assign (resid 19 and name H8 ) (resid 19 and name H1' ) 3.2 1.0 1.0 assign (resid 19 and name H8 ) (resid 19 and name H3' ) 3.2 0.7 0.7 assign (resid 19 and name H1' ) (resid 20 and name H6 ) 4.2 0.8 0.8 assign (resid 19 and name H2' ) (resid 20 and name H6 ) 2.5 0.7 0.7 assign (resid 19 and name H2' ) (resid 19 and name H8 ) 4.2 0.8 0.8 assign (resid 19 and name H3' ) (resid 20 and name H6 ) 2.6 0.8 0.8 assign (resid 19 and name H3' ) (resid 20 and name H5 ) 4.2 0.8 0.8 assign (resid 19 and name H3' ) (resid 20 and name H1' ) 4.2 0.8 0.8 assign (resid 19 and name H4' ) (resid 20 and name H6 ) 4.2 1.0 1.0 assign (resid 19 and name H4' ) (resid 19 and name H8 ) 4.2 1.0 1.0 assign (resid 19 and name H4' ) (resid 19 and name H1' ) 3.2 0.7 0.7 assign (resid 19 and name H5'#) (resid 19 and name H3' ) 3.5 1.7 1.7 ! assign (resid 20 and name H6 ) (resid 20 and name H1' ) 3.2 1.0 1.0 assign (resid 20 and name H5 ) (resid 19 and name H2' ) 4.2 1.0 1.0 assign (resid 20 and name H5 ) (resid 19 and name H8 ) 4.2 1.0 1.0 assign (resid 20 and name H5 ) (resid 20 and name H3' ) 4.2 0.8 0.8 assign (resid 20 and name H5 ) (resid 20 and name H2' ) 4.2 1.0 1.0 assign (resid 20 and name H2' ) (resid 20 and name H6 ) 4.2 0.8 0.8 assign (resid 20 and name H2' ) (resid 21 and name H3' ) 3.2 1.0 1.0 assign (resid 20 and name H2' ) (resid 21 and name H1' ) 4.2 1.0 0.8 assign (resid 20 and name H3' ) (resid 20 and name H6 ) 2.5 0.7 0.7 assign (resid 20 and name H3' ) (resid 21 and name H5' ) 3.2 0.7 0.7 assign (resid 20 and name H4' ) (resid 20 and name H6 ) 4.0 1.2 1.2 assign (resid 20 and name H4' ) (resid 20 and name H1' ) 3.2 0.7 0.7 ! assign (resid 21 and name H6 ) (resid 21 and name H1' ) 4.0 1.2 1.2 assign (resid 21 and name H6 ) (resid 21 and name H3' ) 2.5 0.7 0.7 assign (resid 21 and name H6 ) (resid 20 and name H2' ) 2.5 0.7 0.7 assign (resid 21 and name H6 ) (resid 21 and name H2' ) 4.2 0.8 0.8 assign (resid 21 and name H5 ) (resid 20 and name H3' ) 4.2 0.8 0.8 assign (resid 21 and name H5 ) (resid 20 and name H2' ) 4.2 0.8 0.8 assign (resid 21 and name H1' ) (resid 20 and name H3' ) 4.2 0.8 0.8 assign (resid 21 and name H3' ) (resid 20 and name H3' ) 4.0 1.2 1.2 assign (resid 21 and name H4' ) (resid 21 and name H6 ) 4.0 1.2 1.2 assign (resid 21 and name H4' ) (resid 21 and name H1' ) 3.2 0.7 0.7 assign (resid 21 and name H5'#) (resid 21 and name H3' ) 3.5 1.7 1.7 assign (resid 21 and name H5'#) (resid 21 and name H4' ) 3.0 1.2 1.2 ! !H2O NOESY restraints assign (resid 2 and name H1 ) (resid 3 and name H1' ) 3.6 0.5 0.5 assign (resid 2 and name H1 ) (resid 3 and name H42 ) 3.5 1.7 1.7 assign (resid 2 and name H1 ) (resid 3 and name H41 ) 3.5 1.7 1.7 assign (resid 2 and name H1 ) (resid 19 and name H1 ) 3.5 1.7 1.7 assign (resid 2 and name H1 ) (resid 20 and name H3 ) 2.5 0.7 0.7 assign (resid 2 and name H1 ) (resid 21 and name H42 ) 3.5 1.7 1.7 assign (resid 2 and name H1 ) (resid 21 and name H6 ) 3.5 1.7 1.7 assign (resid 2 and name H22 ) (resid 3 and name H6 ) 3.5 1.7 1.7 assign (resid 2 and name H22 ) (resid 20 and name H1' ) 4.2 0.8 0.8 assign (resid 2 and name H21 ) (resid 21 and name H2' ) 3.5 1.7 1.7 assign (resid 2 and name H21 ) (resid 21 and name H3' ) 3.5 1.7 1.7 ! assign (resid 3 and name H42 ) (resid 20 and name H3 ) 3.5 1.7 1.7 assign (resid 3 and name H41 ) (resid 20 and name H3 ) 3.5 1.7 1.7 ! assign (resid 4 and name H1 ) (resid 17 and name H42 ) 3.2 1.0 1.0 assign (resid 4 and name H1 ) (resid 17 and name H41 ) 3.2 1.0 1.0 assign (resid 4 and name H1 ) (resid 18 and name H42 ) 2.5 0.7 0.7 assign (resid 4 and name H1 ) (resid 18 and name H41 ) 3.2 1.0 1.0 assign (resid 4 and name H1 ) (resid 19 and name H1' ) 3.3 0.8 0.8 assign (resid 4 and name H1 ) (resid 19 and name H2' ) 3.5 1.7 1.7 assign (resid 4 and name H1 ) (resid 19 and name H8 ) 3.5 1.7 1.7 assign (resid 4 and name H8 ) (resid 19 and name H1 ) 3.5 1.7 1.7 ! assign (resid 5 and name H1 ) (resid 7 and name H1 ) 3.3 0.7 0.7 !Wild assign (resid 5 and name H1 ) (resid 18 and name H1' ) 3.3 0.8 0.8 assign (resid 5 and name H1 ) (resid 16 and name H42 ) 4.2 0.8 0.8 assign (resid 5 and name H1 ) (resid 17 and name H42 ) 2.5 0.7 0.7 assign (resid 5 and name H1 ) (resid 17 and name H41 ) 3.2 1.0 1.0 ! assign (resid 7 and name H1 ) (resid 8 and name H1' ) 3.5 1.7 1.7 assign (resid 7 and name H1 ) (resid 17 and name H1' ) 4.2 0.8 0.8 assign (resid 7 and name H1 ) (resid 8 and name H42 ) 3.5 1.7 1.7 assign (resid 7 and name H1 ) (resid 8 and name H41 ) 3.2 1.0 1.0 assign (resid 7 and name H1 ) (resid 15 and name H1 ) 3.5 1.7 1.7 assign (resid 7 and name H1 ) (resid 16 and name H42 ) 3.3 0.8 0.8 assign (resid 7 and name H1 ) (resid 16 and name H41 ) 4.2 0.8 0.8 assign (resid 7 and name H1 ) (resid 17 and name H41 ) 4.0 1.2 1.0 assign (resid 7 and name H1 ) (resid 17 and name H42 ) 4.2 0.8 0.8 ! assign (resid 8 and name H42 ) (resid 15 and name H22 ) 4.2 0.8 0.8 assign (resid 8 and name H42 ) (resid 9 and name H1' ) 4.2 0.8 0.8 assign (resid 8 and name H41 ) (resid 9 and name H1' ) 4.2 1.0 1.0 ! assign (resid 11 and name H6# ) (resid 10 and name H8 ) 3.5 1.7 1.7 assign (resid 11 and name H6# ) (resid 12 and name H2' ) 3.5 1.7 1.7 assign (resid 11 and name H6# ) (resid 12 and name H3' ) 3.5 1.7 1.7 ! assign (resid 15 and name H1 ) (resid 16 and name H5 ) 3.5 1.7 1.7 assign (resid 15 and name H1 ) (resid 8 and name H42 ) 3.2 1.0 1.0 assign (resid 15 and name H1 ) (resid 8 and name H41 ) 4.2 0.8 0.8 assign (resid 15 and name H1 ) (resid 9 and name H1' ) 3.6 1.0 1.0 ! assign (resid 16 and name H1' ) (resid 15 and name H1 ) 3.5 1.7 1.7 assign (resid 16 and name H42 ) (resid 5 and name H22 ) 4.2 0.8 0.8 ! assign (resid 17 and name H41 ) (resid 16 and name H5 ) 3.5 1.7 1.7 ! assign (resid 18 and name H6 ) (resid 4 and name H1 ) 3.5 1.7 1.7 assign (resid 18 and name H42 ) (resid 19 and name H8 ) 4.4 0.8 0.8 assign (resid 18 and name H42 ) (resid 17 and name H6 ) 4.2 0.6 0.6 ! assign (resid 19 and name H1 ) (resid 20 and name H3 ) 3.5 1.7 1.7 assign (resid 19 and name H1 ) (resid 3 and name H42 ) 2.5 0.7 0.7 assign (resid 19 and name H1 ) (resid 3 and name H41 ) 3.2 1.0 1.0 ! assign (resid 20 and name H3 ) (resid 3 and name H1' ) 3.5 1.7 1.7 assign (resid 20 and name H3 ) (resid 20 and name H2' ) 3.5 1.7 1.7 assign (resid 20 and name H3 ) (resid 20 and name H3' ) 3.5 1.7 1.7 assign (resid 20 and name H3 ) (resid 2 and name H22 ) 4.2 0.8 0.8 assign (resid 20 and name H3 ) (resid 21 and name H42 ) 3.5 1.7 1.7 assign (resid 20 and name H3 ) (resid 21 and name H41 ) 3.5 1.7 1.7 assign (resid 20 and name H3 ) (resid 21 and name H6 ) 3.5 1.7 1.7 ! assign (resid 21 and name H42 ) (resid 20 and name H5 ) 3.5 1.7 1.7 assign (resid 21 and name H1' ) (resid 2 and name H1 ) 3.5 1.7 1.7 ! !UNOEs, close contacts in low energy structures, verified to be unobservable in NOESY at 250 msec assign (resid 8 and name H5 ) (resid 9 and name H6 ) 4.4 0.8 10.0 assign (resid 8 and name H6 ) (resid 9 and name H5 ) 4.4 0.8 10.0 assign (resid 11 and name H8 ) (resid 12 and name H3' ) 4.4 0.8 10.0 assign (resid 12 and name H8 ) (resid 13 and name H2' ) 4.4 0.8 10.0 assign (resid 13 and name H1' ) (resid 13 and name H8 ) 4.4 0.8 10.0 assign (resid 10 and name H1' ) (resid 11 and name H8 ) 4.4 0.8 10.0 ! !H-bonds ! ! for G1/ C21 base pair assign (resid 1 and name N1) (resid 21 and name N3) 2.91 0.5 0.5 assign (resid 1 and name O6) (resid 21 and name N4) 2.71 0.5 0.5 assign (resid 1 and name N2) (resid 21 and name O2) 3.08 0.5 0.5 assign (resid 1 and name H1) (resid 21 and name N3) 1.89 0.5 0.5 assign (resid 1 and name O6) (resid 21 and name H42) 1.71 0.5 0.5 assign (resid 1 and name H22) (resid 21 and name O2) 2.08 0.5 0.5 ! ! for G2/ U20 base pair; find more accurate distances for this GU pair. assign (resid 2 and name O6) (resid 20 and name N3) 2.71 0.5 0.5 assign (resid 2 and name O6) (resid 20 and name H3) 1.71 0.5 0.5 assign (resid 2 and name N1) (resid 20 and name O2) 2.71 0.5 0.5 assign (resid 2 and name H1) (resid 20 and name O2) 1.71 0.5 0.5 ! ! for C3/ G19 base pair assign (resid 19 and name N1) (resid 3 and name N3) 2.91 0.5 0.5 assign (resid 19 and name O6) (resid 3 and name N4) 2.71 0.5 0.5 assign (resid 19 and name N2) (resid 3 and name O2) 3.08 0.5 0.5 assign (resid 19 and name H1) (resid 3 and name N3) 1.89 0.5 0.5 assign (resid 19 and name O6) (resid 3 and name H42) 1.71 0.5 0.5 assign (resid 19 and name H22) (resid 3 and name O2) 2.08 0.5 0.5 ! ! for G4/ C18 base pair assign (resid 4 and name N1) (resid 18 and name N3) 2.91 0.5 0.5 assign (resid 4 and name O6) (resid 18 and name N4) 2.71 0.5 0.5 assign (resid 4 and name N2) (resid 18 and name O2) 3.08 0.5 0.5 assign (resid 4 and name H1) (resid 18 and name N3) 1.89 0.5 0.5 assign (resid 4 and name O6) (resid 18 and name H42) 1.71 0.5 0.5 assign (resid 4 and name H22) (resid 18 and name O2) 2.08 0.5 0.5 ! ! for G5/ C17 base pair assign (resid 5 and name N1) (resid 17 and name N3) 2.91 0.5 0.5 assign (resid 5 and name O6) (resid 17 and name N4) 2.71 0.5 0.5 assign (resid 5 and name N2) (resid 17 and name O2) 3.08 0.5 0.5 assign (resid 5 and name H1) (resid 17 and name N3) 1.89 0.5 0.5 assign (resid 5 and name O6) (resid 17 and name H42) 1.71 0.5 0.5 assign (resid 5 and name H22) (resid 17 and name O2) 2.08 0.5 0.5 ! ! for G7/ C16 base pair assign (resid 7 and name N1) (resid 16 and name N3) 2.91 0.5 0.5 assign (resid 7 and name O6) (resid 16 and name N4) 2.71 0.5 0.5 assign (resid 7 and name N2) (resid 16 and name O2) 3.08 0.5 0.5 assign (resid 7 and name H1) (resid 16 and name N3) 1.89 0.5 0.5 assign (resid 7 and name O6) (resid 16 and name H42) 1.71 0.5 0.5 assign (resid 7 and name H22) (resid 16 and name O2) 2.08 0.5 0.5 ! ! for C8/ G15 base pair assign (resid 15 and name N1) (resid 8 and name N3) 2.91 0.5 0.5 assign (resid 15 and name O6) (resid 8 and name N4) 2.71 0.5 0.5 assign (resid 15 and name N2) (resid 8 and name O2) 3.08 0.5 0.5 assign (resid 15 and name H1) (resid 8 and name N3) 1.89 0.5 0.5 assign (resid 15 and name O6) (resid 8 and name H42) 1.71 0.5 0.5 assign (resid 15 and name H22) (resid 8 and name O2) 2.08 0.5 0.5
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