NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype

5924 1i6g 5029 cing recoord 1-original 4 XPLOR/CNS distance hydrogen bond simple

!! H-bonds
assign (resid    3 and  name HN  )(resid   42 and  name  O  ) 2.1 0.6 0.2
assign (resid    3 and  name  N  )(resid   42 and  name  O  ) 3.1 0.6 0.2
assign (resid   42 and  name HN  )(resid    3 and  name  O  ) 2.1 0.6 0.2
assign (resid   42 and  name  N  )(resid    3 and  name  O  ) 3.1 0.6 0.2 
assign (resid   39 and  name  O  )(resid   36 and  name HN  ) 2.1 0.6 0.2
assign (resid   39 and  name  O  )(resid   36 and  name  N  ) 3.1 0.6 0.2
!! try 1.5 0.6 0.2
assign (resid   36 and  name  O  )(resid   39 and  name HN  ) 2.1 0.6 0.2
assign (resid   36 and  name  O  )(resid   39 and  name  N  ) 3.1 0.6 0.2
assign (resid   34 and  name  O  )(resid   41 and  name HN  ) 2.1 0.6 0.2
assign (resid   34 and  name  O  )(resid   41 and  name  N  ) 3.1 0.6 0.2
assign (resid   41 and  name  O  )(resid   34 and  name HN  ) 2.1 0.6 0.2
assign (resid   41 and  name  O  )(resid   34 and  name  N  ) 3.1 0.6 0.2
assign (resid   32 and  name  O  )(resid   43 and  name HN  ) 2.1 0.6 0.2
assign (resid   32 and  name  O  )(resid   43 and  name  N  ) 3.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   32 and  name HN  ) 2.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   32 and  name  N  ) 3.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   31 and  name HN  ) 2.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   31 and  name  N  ) 3.1 0.6 0.2
!! alpha helix (edited 21july97)
assign (resid   18 and  name  O  )(resid   22 and  name HN  ) 2.1 0.6 0.2
assign (resid   18 and  name  O  )(resid   22 and  name N   ) 3.1 0.6 0.2
assign (resid   19 and  name  O  )(resid   23 and  name HN  ) 2.1 0.6 0.2
assign (resid   19 and  name  O  )(resid   23 and  name N   ) 3.1 0.6 0.2
assign (resid   20 and  name  O  )(resid   24 and  name HN  ) 2.1 0.6 0.2
assign (resid   20 and  name  O  )(resid   24 and  name N   ) 3.1 0.6 0.2
assign (resid   21 and  name  O  )(resid   25 and  name HN  ) 2.1 0.6 0.2
assign (resid   21 and  name  O  )(resid   25 and  name N   ) 3.1 0.6 0.2
assign (resid   22 and  name  O  )(resid   26 and  name HN  ) 2.1 0.6 0.2
assign (resid   22 and  name  O  )(resid   26 and  name N   ) 3.1 0.6 0.2
assign (resid   23 and  name  O  )(resid   27 and  name HN  ) 2.1 0.6 0.2
assign (resid   23 and  name  O  )(resid   27 and  name N   ) 3.1 0.6 0.2
assign (resid   24 and  name  O  )(resid   28 and  name HN  ) 2.1 0.6 0.2
assign (resid   24 and  name  O  )(resid   28 and  name N   ) 3.1 0.6 0.2
assign (resid   26 and  name  O  )(resid   29 and  name HN  ) 2.1 0.6 0.2
assign (resid   26 and  name  O  )(resid   29 and  name N   ) 3.1 0.6 0.2
assign (resid   25 and  name  O  )(resid   30 and  name HN  ) 2.1 0.6 0.2
assign (resid   25 and  name  O  )(resid   30 and  name N   ) 3.1 0.6 0.2
!!turns
!!make 7/10 very strong
assign (resid    7 and  name  O  )(resid   10 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name  O  )(resid   10 and  name N   ) 3.1 0.6 0.2
assign (resid   46 and  name  O  )(resid   49 and  name N   ) 3.1 0.6 0.2
assign (resid   46 and  name  O  )(resid   49 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name HN  )(resid   11 and  name O   ) 2.1 0.6 0.2
assign (resid    7 and  name  N  )(resid   11 and  name O   ) 3.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid    9 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid    9 and  name N   ) 3.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid   11 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid   11 and  name N   ) 3.1 0.6 0.2
!! misc.
assign (resid    1 and  name  O  )(resid   45 and  name HN  ) 2.1 0.6 0.2
assign (resid    1 and  name  O  )(resid   45 and  name N   ) 3.1 0.6 0.2
assign (resid    4 and  name  O  )(resid   52 and  name HN  ) 2.1 0.6 0.2
assign (resid    4 and  name  O  )(resid   52 and  name N   ) 3.1 0.6 0.2
assign (resid   50 and  name  O  )(resid    6 and  name HN  ) 2.1 0.6 0.2
assign (resid   50 and  name  O  )(resid    6 and  name N   ) 3.1 0.6 0.2
assign (resid   13 and  name  O  )(resid   40 and  name HN  ) 2.1 0.6 0.2
assign (resid   13 and  name  O  )(resid   40 and  name N   ) 3.1 0.6 0.2
assign (resid    5 and  name  O  )(resid   13 and  name HN  ) 2.1 0.6 0.2
assign (resid    5 and  name  O  )(resid   13 and  name N   ) 3.1 0.6 0.2
assign (resid   38 and  name  O  )(resid   15 and  name HN  ) 2.1 0.6 0.2
assign (resid   38 and  name  O  )(resid   15 and  name N   ) 3.1 0.6 0.2
assign (resid   49 and  name  O  )(resid    1 and  name HZ2 ) 2.1 0.6 0.2
assign (resid   49 and  name  O  )(resid    1 and  name NZ  ) 3.1 0.6 0.2
assign (resid   47 and  name  O  )(resid    1 and  name HZ3 ) 2.1 0.6 0.2
assign (resid   47 and  name  O  )(resid    1 and  name NZ  ) 3.1 0.6 0.2
assign (resid   18 and  name OD1 )(resid   35 and  name HN  ) 2.1 0.6 0.2
assign (resid   18 and  name OD1 )(resid   35 and  name N   ) 3.1 0.6 0.2
!! add these 22jul99
assign (resid   22 and  name OD1 )(resid   33 and  name HN  ) 2.1 0.6 0.2
assign (resid   22 and  name OD1 )(resid   33 and  name N   ) 3.1 0.6 0.2
assign (resid    2 and  name OD1 )(resid   44 and  name HN  ) 2.1 0.6 0.2
assign (resid    2 and  name OD1 )(resid   44 and  name N   ) 3.1 0.6 0.2
assign (resid   18 and  name  O  )(resid   21 and  name HN  ) 2.1 0.6 0.2
assign (resid   18 and  name  O  )(resid   21 and  name N   ) 3.1 0.6 0.2

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image	mrblock_id	pdb_id	bmrb_id	cing	in_recoord	stage	position	program	type	subtype	subsubtype
	5924	1i6g	5029	cing	recoord	1-original	4	XPLOR/CNS	distance	hydrogen bond	simple