NMR Restraints Grid

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

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

1250 1af8 cing recoord dress 1-original 7 XPLOR/CNS distance NOE simple
!HA(i)-HN(i+3)
assign (resid    7 and name HA   )(resid   10 and name HN   ) 3.3 1.5 0.5
assign (resid    8 and name HA   )(resid   11 and name HN   ) 3.3 1.5 0.5
assign (resid    9 and name HA   )(resid   12 and name HN   ) 3.3 1.5 0.5
assign (resid   10 and name HA   )(resid   13 and name HN   ) 3.3 1.5 0.5
assign (resid   11 and name HA   )(resid   14 and name HN   ) 3.3 1.5 0.5
assign (resid   12 and name HA   )(resid   15 and name HN   ) 3.3 1.5 0.5
assign (resid   13 and name HA   )(resid   16 and name HN   ) 3.3 1.5 0.5
assign (resid   14 and name HA   )(resid   17 and name HN   ) 3.3 1.5 0.5
assign (resid   15 and name HA   )(resid   18 and name HN   ) 3.3 1.5 0.5
assign (resid   16 and name HA   )(resid   19 and name HN   ) 4.0 2.2 0.5
assign (resid   42 and name HA   )(resid   45 and name HN   ) 3.3 1.5 0.5 
assign (resid   43 and name HA   )(resid   44 and name HN   ) 3.3 1.5 0.5
assign (resid   45 and name HA   )(resid   48 and name HN   ) 3.3 1.5 0.5 
assign (resid   46 and name HA   )(resid   49 and name HN   ) 3.3 1.5 0.5 
assign (resid   48 and name HA   )(resid   51 and name HN   ) 3.3 1.5 0.5 
assign (resid   49 and name HA   )(resid   52 and name HN   ) 3.3 1.5 0.5
assign (resid   50 and name HA   )(resid   53 and name HN   ) 3.3 1.5 0.5
assign (resid   54 and name HA   )(resid   57 and name HN   ) 3.3 1.5 0.5
assign (resid   63 and name HA   )(resid   66 and name HN   ) 3.3 1.5 0.5  
assign (resid   64 and name HA   )(resid   67 and name HN   ) 3.3 1.5 0.5 
assign (resid   72 and name HA   )(resid   75 and name HN   ) 3.3 1.5 0.5 
assign (resid   73 and name HA   )(resid   76 and name HN   ) 3.3 1.5 0.5 
assign (resid   74 and name HA   )(resid   77 and name HN   ) 3.3 1.5 0.5 
assign (resid   75 and name HA   )(resid   78 and name HN   ) 3.3 1.5 0.5 
assign (resid   76 and name HA   )(resid   79 and name HN   ) 3.3 1.5 0.5 
assign (resid   77 and name HA   )(resid   80 and name HN   ) 3.3 1.5 0.5
assign (resid   78 and name HA   )(resid   81 and name HN   ) 3.3 1.5 0.5 
assign (resid   79 and name HA   )(resid   82 and name HN   ) 3.3 1.5 0.5 
assign (resid   81 and name HA   )(resid   84 and name HN   ) 3.3 1.5 0.5 
assign (resid   82 and name HA   )(resid   85 and name HN   ) 3.3 1.5 0.5 
!HA(i)-HN(i+4)
assign (resid    7 and name HA   )(resid   11 and name HN   ) 4.0 2.2 0.5 
assign (resid   11 and name HA   )(resid   15 and name HN   ) 4.0 2.2 0.5 
assign (resid   12 and name HA   )(resid   16 and name HN   ) 4.0 2.2 0.5
assign (resid   42 and name HA   )(resid   46 and name HN   ) 4.0 2.2 0.5
assign (resid   48 and name HA   )(resid   52 and name HN   ) 4.0 2.2 0.5
assign (resid   45 and name HA   )(resid   49 and name HN   ) 4.0 2.2 0.5 
assign (resid   72 and name HA   )(resid   76 and name HN   ) 4.0 2.2 0.5 
assign (resid   75 and name HA   )(resid   79 and name HN   ) 4.0 2.2 0.5 
assign (resid   78 and name HA   )(resid   82 and name HN   ) 4.0 2.2 0.5 
!HA(i)-HB(i+3)
assign (resid    7 and name HA   )(resid   10 and name HB*  ) 3.3 1.5 1.0
assign (resid    8 and name HA   )(resid   11 and name HB2  ) 3.3 1.5 0.5
assign (resid   11 and name HA   )(resid   14 and name HB1  ) 4.0 2.2 0.5
assign (resid   12 and name HA   )(resid   15 and name HB   ) 3.3 1.5 0.5
assign (resid   13 and name HA   )(resid   16 and name HB*  ) 3.3 1.5 1.0
assign (resid   42 and name HA   )(resid   45 and name HB*  ) 3.3 1.5 1.5 
assign (resid   45 and name HA   )(resid   48 and name HB   ) 3.3 1.5 0.5
assign (resid   49 and name HA   )(resid   52 and name HB*  ) 3.3 1.5 1.0
assign (resid   62 and name HA   )(resid   65 and name HB*  ) 3.3 1.5 1.5 
assign (resid   64 and name HA   )(resid   67 and name HB*  ) 4.0 2.2 1.0 
assign (resid   72 and name HA   )(resid   75 and name HB1  ) 2.8 1.0 0.5 
assign (resid   72 and name HA   )(resid   75 and name HB2  ) 4.0 1.5 0.5 
assign (resid   73 and name HA   )(resid   76 and name HB*  ) 3.3 1.5 1.0
assign (resid   74 and name HA   )(resid   77 and name HB*  ) 3.3 1.5 1.0 
assign (resid   75 and name HA   )(resid   78 and name HB   ) 3.3 1.5 1.0
assign (resid   78 and name HA   )(resid   81 and name HB*  ) 3.3 1.5 1.0 
assign (resid   80 and name HA*  )(resid   83 and name HB*  ) 3.3 1.5 1.0 
assign (resid   81 and name HA   )(resid   84 and name HB*  ) 3.3 1.5 1.0 
assign (resid   82 and name HA   )(resid   85 and name HB*  ) 4.0 2.2 1.0 
! HN(i)-HN(i+2)
assign (resid   81 and name HN   )(resid   83 and name HN   ) 4.0 2.2 1.0
!HA(i)-HDG(i+3)
assign (resid   11 and name HA   )(resid   14 and name HD1* ) 4.0 2.2 0.5
assign (resid   12 and name HA   )(resid   15 and name HG*  ) 4.0 2.2 2.5
assign (resid   65 and name HA   )(resid   68 and name HG1* ) 3.3 1.5 1.5 
assign (resid   65 and name HA   )(resid   68 and name HG2* ) 3.3 1.5 1.5
assign (resid   42 and name HA   )(resid   45 and name HD1* ) 4.0 2.2 1.0
assign (resid   42 and name HA   )(resid   45 and name HD2* ) 4.0 2.2 1.0
! Thr 70 NH
assign (resid   70 and name HN   )(resid   73 and name HB*  ) 3.3 1.5 1.0 
!HA(i)-HN(i+2)
assign (resid   21 and name HA   )(resid   23 and name HN   ) 3.3 1.5 1.0 
assign (resid   68 and name HA   )(resid   70 and name HN   ) 4.0 2.2 0.5
!HB(i)-HN(i+2)
assign (resid   21 and name HB   )(resid   23 and name HN   ) 3.3 1.5 1.0 
!HG*(i)-HN(i+2)
assign (resid   68 and name HG2* )(resid   70 and name HN   ) 4.0 2.2 0.5 
! Tyr 40 short range contacts
assign (resid   40 and name HD*  )(resid   38 and name HD*  ) 4.0 2.2 4.0 
assign (resid   40 and name HE*  )(resid   38 and name HD*  ) 4.0 2.2 4.0 
assign (resid   40 and name HE*  )(resid   38 and name HG1* ) 3.3 1.5 4.0 
assign (resid   40 and name HD*  )(resid   38 and name HG1* ) 3.3 1.5 4.0 
! OTHERS
assign (resid   9 and name HB2*  )(resid    6 and name HN    ) 3.3 1.5 0.5
assign (resid   9 and name HB1*  )(resid    6 and name HN    ) 3.3 1.5 0.5
assign (resid   5 and name HD1*  )(resid    9 and name HB1*  ) 3.3 1.5 1.5
assign (resid   5 and name HD2*  )(resid    9 and name HB1*  ) 4.0 2.2 1.5
assign (resid   5 and name HD1*  )(resid    9 and name HB2*  ) 3.3 1.5 1.5 
assign (resid   5 and name HD2*  )(resid    9 and name HB2*  ) 4.0 2.2 1.5
assign (resid  10 and name HD2*  )(resid   14 and name HD1*  ) 4.0 2.2 1.5
assign (resid  24 and name HG2*  )(resid   26 and name HD1*  ) 4.0 2.2 1.5
assign (resid  31 and name HD2*  )(resid   34 and name HB1   ) 4.0 2.2 1.0
assign (resid  31 and name HD2*  )(resid   34 and name HB2   ) 4.0 2.2 1.0
assign (resid  31 and name HD2*  )(resid   34 and name HG*   ) 5.0 3.2 1.5
assign (resid  75 and name HD1*  )(resid   79 and name HD2*  ) 3.3 1.5 1.5
assign (resid  75 and name HD2*  )(resid   79 and name HD2*  ) 3.3 1.5 1.5
assign (resid  68 and name HG2*  )(resid   73 and name HG*   ) 3.3 1.5 1.5 
assign (resid  68 and name HG2*  )(resid   74 and name HN    ) 4.0 2.2 1.0
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Tuesday, April 16, 2024 10:31:58 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	in_recoord	in_dress	stage	position	program	type	subtype	subsubtype
	1250	1af8	cing	recoord	dress	1-original	7	XPLOR/CNS	distance	NOE	simple