NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
7311 1k8m 5078 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


! Hydrogen bond 
assign (resid    19 and  name O   )(resid   69 and  name N    ) 2.80 0.30 0.50
assign (resid    19 and  name O   )(resid   69 and  name HN   ) 1.80 0.30 0.50
assign (resid    69 and  name O   )(resid   19 and  name N    ) 2.80 0.30 0.50
assign (resid    69 and  name O   )(resid   19 and  name HN   ) 1.80 0.30 0.50


assign (resid    67 and  name O   )(resid   21 and  name N    ) 2.80 0.30 0.50
assign (resid    67 and  name O   )(resid   21 and  name HN   ) 1.80 0.30 0.50


! modify by Chi-Fon 02/05/2001 N-O distance from 2.5-3.3 A; NH-O 1.5-2.3A
assign (resid    57 and  name O   )(resid   79 and  name N    ) 2.80 0.30 0.50
assign (resid    57 and  name O   )(resid   79 and  name HN   ) 1.80 0.30 0.50
assign (resid    79 and  name O   )(resid   57 and  name N    ) 2.80 0.30 0.50
assign (resid    79 and  name O   )(resid   57 and  name HN   ) 1.80 0.30 0.50

assign (resid    77 and  name O   )(resid   59 and  name N    ) 2.80 0.30 0.50
assign (resid    77 and  name O   )(resid   59 and  name HN   ) 1.80 0.30 0.50

assign (resid    5 and  name O   )(resid   78 and  name N    ) 2.80 0.30 0.50
assign (resid    5 and  name O   )(resid   78 and  name HN   ) 1.80 0.30 0.50

assign (resid    32 and  name O   )(resid   56 and  name N    ) 2.80 0.30 0.50
assign (resid    32 and  name O   )(resid   56 and  name HN   ) 1.80 0.30 0.50
assign (resid    56 and  name O   )(resid   32 and  name N    ) 2.80 0.30 0.50
assign (resid    56 and  name O   )(resid   32 and  name HN   ) 1.80 0.30 0.50

assign (resid    41 and  name O   )(resid   48 and  name N    ) 2.80 0.30 0.50
assign (resid    41 and  name O   )(resid   48 and  name HN   ) 1.80 0.30 0.50
assign (resid    48 and  name O   )(resid   41 and  name N    ) 2.80 0.30 0.50
assign (resid    48 and  name O   )(resid   41 and  name HN   ) 1.80 0.30 0.50

assign (resid    39 and  name O   )(resid   50 and  name N    ) 2.80 0.30 0.50
assign (resid    39 and  name O   )(resid   50 and  name HN   ) 1.80 0.30 0.50

assign (resid    40 and  name O   )(resid   23 and  name N    ) 2.80 0.30 0.50
assign (resid    40 and  name O   )(resid   23 and  name HN   ) 1.80 0.30 0.50
assign (resid    23 and  name O   )(resid   40 and  name N    ) 2.80 0.30 0.50
assign (resid    23 and  name O   )(resid   40 and  name HN   ) 1.80 0.30 0.50

assign (resid    30 and  name O   )(resid   58 and  name N    ) 2.80 0.30 0.50
assign (resid    30 and  name O   )(resid   58 and  name HN   ) 1.80 0.30 0.50
assign (resid    58 and  name O   )(resid   30 and  name N    ) 2.80 0.30 0.50
assign (resid    58 and  name O   )(resid   30 and  name HN   ) 1.80 0.30 0.50

! adding two more for beta region 02/02/2001
assign (resid    7 and  name O   )(resid   76 and  name N    ) 2.80 0.30 0.50
assign (resid    7 and  name O   )(resid   76 and  name HN   ) 1.80 0.30 0.50


!assign (resid    50 and  name O   )(resid   39 and  name N    ) 2.80 0.30 0.50
!assign (resid    50 and  name O   )(resid   39 and  name HN   ) 1.80 0.30 0.50

! adding one more 05/01/2001; remove for 06/18/2001
!assign (resid    19 and  name O   )(resid   69 and  name N    ) 2.80 0.30 0.50
!assign (resid    19 and  name O   )(resid   69 and  name HN   ) 1.80 0.30 0.50

!adding four more from insighII structure and H/D exchange 06/18/2001
assign (resid    40 and  name O   )(resid   22 and  name N    ) 2.80 0.30 0.50
assign (resid    40 and  name O   )(resid   22 and  name HN   ) 1.80 0.30 0.50

assign (resid    38 and  name O   )(resid   25 and  name N    ) 2.80 0.30 0.50
assign (resid    38 and  name O   )(resid   25 and  name HN   ) 1.80 0.30 0.50

assign (resid    50 and  name O   )(resid   38 and  name N    ) 2.80 0.30 0.50
assign (resid    50 and  name O   )(resid   38 and  name HN   ) 1.80 0.30 0.50

assign (resid    7 and  name O   )(resid   75 and  name N    ) 2.80 0.30 0.50
assign (resid    7 and  name O   )(resid   75 and  name HN   ) 1.80 0.30 0.50





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, May 13, 2024 12:15:16 PM GMT (wattos1)