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

9479 1nzp 5766 cing recoord 1-original 1 XPLOR/CNS dihedral angle

! Talos Database predictions rerun by GM 030399
! Chemical shifts corrected for deuteration HVIL labeling
! Talos recompiled without mbp in database.

{* PHI restraints from Luginbuehl et al., JMR B 109(1995):229-233 *}
{* Helix: -120...-20 = -70.0 50.0 2 *}
{* Sheet: 160...180...-80 = -140.0 60.0 2 *}
{* PSI restraints --- see note above *}
{* Helix: -100...0 = -50.0 50.0 2 *}
{* Sheet: 40.0...180.0...-140.0 = 130.0 90.0 2 *}

Talos predictions take precedance.

! Resdiue A 9 DATABASE
assign (resid 8 and name C  )(resid 9 and name N  )
       (resid 9 and name CA )(resid 9 and name C  ) 1.0 -83.73 33.64 2
assign (resid 9 and name N  )(resid 9 and name CA )
       (resid 9 and name C  )(resid 10 and name N  ) 1.0 126.85 42.58 2

! Resdiue N 11 DATABASE
assign (resid 10 and name C  )(resid 11 and name N  )
       (resid 11 and name CA )(resid 11 and name C  ) 1.0 -85.45 34.22 2
assign (resid 11 and name N  )(resid 11 and name CA )
       (resid 11 and name C  )(resid 12 and name N  ) 1.0 136.14 50.24 2

! Resdiue H 15 DATABASE
assign (resid 14 and name C  )(resid 15 and name N  )
       (resid 15 and name CA )(resid 15 and name C  ) 1.0 -68.61 22.10 2
assign (resid 15 and name N  )(resid 15 and name CA )
       (resid 15 and name C  )(resid 16 and name N  ) 1.0 -32.62 32.74 2

! Resdiue I 16 DATABASE
assign (resid 15 and name C  )(resid 16 and name N  )
       (resid 16 and name CA )(resid 16 and name C  ) 1.0 -74.79 36.22 2
assign (resid 16 and name N  )(resid 16 and name CA )
       (resid 16 and name C  )(resid 17 and name N  ) 1.0 -34.65 24.42 2

! Resdiue T 17 DATABASE
assign (resid 16 and name C  )(resid 17 and name N  )
       (resid 17 and name CA )(resid 17 and name C  ) 1.0 -67.74 25.06 2
assign (resid 17 and name N  )(resid 17 and name CA )
       (resid 17 and name C  )(resid 18 and name N  ) 1.0 -39.32 20.00 2

! Resdiue E 18 DATABASE
assign (resid 17 and name C  )(resid 18 and name N  )
       (resid 18 and name CA )(resid 18 and name C  ) 1.0 -65.17 20.00 2
assign (resid 18 and name N  )(resid 18 and name CA )
       (resid 18 and name C  )(resid 19 and name N  ) 1.0 -42.73 20.00 2

! Resdiue K 19 DATABASE
assign (resid 18 and name C  )(resid 19 and name N  )
       (resid 19 and name CA )(resid 19 and name C  ) 1.0 -64.23 20.00 2
assign (resid 19 and name N  )(resid 19 and name CA )
       (resid 19 and name C  )(resid 20 and name N  ) 1.0 -39.94 20.00 2

! Resdiue L 20 DATABASE
assign (resid 19 and name C  )(resid 20 and name N  )
       (resid 20 and name CA )(resid 20 and name C  ) 1.0 -63.14 20.64 2
assign (resid 20 and name N  )(resid 20 and name CA )
       (resid 20 and name C  )(resid 21 and name N  ) 1.0 -38.47 20.00 2

! Resdiue E 21 DATABASE
assign (resid 20 and name C  )(resid 21 and name N  )
       (resid 21 and name CA )(resid 21 and name C  ) 1.0 -67.00 20.00 2
assign (resid 21 and name N  )(resid 21 and name CA )
       (resid 21 and name C  )(resid 22 and name N  ) 1.0 -38.68 20.00 2

! Resdiue V 22 DATABASE
assign (resid 21 and name C  )(resid 22 and name N  )
       (resid 22 and name CA )(resid 22 and name C  ) 1.0 -67.14 20.00 2
assign (resid 22 and name N  )(resid 22 and name CA )
       (resid 22 and name C  )(resid 23 and name N  ) 1.0 -40.12 20.00 2

! Resdiue L 23 DATABASE
assign (resid 22 and name C  )(resid 23 and name N  )
       (resid 23 and name CA )(resid 23 and name C  ) 1.0 -62.91 20.00 2
assign (resid 23 and name N  )(resid 23 and name CA )
       (resid 23 and name C  )(resid 24 and name N  ) 1.0 -41.89 20.00 2

! Resdiue A 24 DATABASE
assign (resid 23 and name C  )(resid 24 and name N  )
       (resid 24 and name CA )(resid 24 and name C  ) 1.0 -62.68 20.00 2
assign (resid 24 and name N  )(resid 24 and name CA )
       (resid 24 and name C  )(resid 25 and name N  ) 1.0 -40.59 20.00 2

! Resdiue K 25 DATABASE
assign (resid 24 and name C  )(resid 25 and name N  )
       (resid 25 and name CA )(resid 25 and name C  ) 1.0 -64.88 20.00 2
assign (resid 25 and name N  )(resid 25 and name CA )
       (resid 25 and name C  )(resid 26 and name N  ) 1.0 -41.13 20.00 2

! Resdiue A 26 DATABASE
assign (resid 25 and name C  )(resid 26 and name N  )
       (resid 26 and name CA )(resid 26 and name C  ) 1.0 -64.38 20.00 2
assign (resid 26 and name N  )(resid 26 and name CA )
       (resid 26 and name C  )(resid 27 and name N  ) 1.0 -42.70 20.00 2

! Resdiue Y 27 DATABASE
assign (resid 26 and name C  )(resid 27 and name N  )
       (resid 27 and name CA )(resid 27 and name C  ) 1.0 -64.94 20.00 2
assign (resid 27 and name N  )(resid 27 and name CA )
       (resid 27 and name C  )(resid 28 and name N  ) 1.0 -41.09 20.00 2

! Resdiue S 28 DATABASE
assign (resid 27 and name C  )(resid 28 and name N  )
       (resid 28 and name CA )(resid 28 and name C  ) 1.0 -65.54 20.00 2
assign (resid 28 and name N  )(resid 28 and name CA )
       (resid 28 and name C  )(resid 29 and name N  ) 1.0 -39.05 20.00 2

! Resdiue Q 30 DATABASE
assign (resid 29 and name C  )(resid 30 and name N  )
       (resid 30 and name CA )(resid 30 and name C  ) 1.0 -90.64 36.82 2
assign (resid 30 and name N  )(resid 30 and name CA )
       (resid 30 and name C  )(resid 31 and name N  ) 1.0 -1.41 23.08 2

! Resdiue K 33 DATABASE
assign (resid 32 and name C  )(resid 33 and name N  )
       (resid 33 and name CA )(resid 33 and name C  ) 1.0 -64.61 20.00 2
assign (resid 33 and name N  )(resid 33 and name CA )
       (resid 33 and name C  )(resid 34 and name N  ) 1.0 -26.94 22.08 2

! Resdiue W 34 DATABASE
assign (resid 33 and name C  )(resid 34 and name N  )
       (resid 34 and name CA )(resid 34 and name C  ) 1.0 -65.55 20.00 2
assign (resid 34 and name N  )(resid 34 and name CA )
       (resid 34 and name C  )(resid 35 and name N  ) 1.0 -34.93 22.52 2

! Resdiue R 35 DATABASE
assign (resid 34 and name C  )(resid 35 and name N  )
       (resid 35 and name CA )(resid 35 and name C  ) 1.0 -66.69 22.52 2
assign (resid 35 and name N  )(resid 35 and name CA )
       (resid 35 and name C  )(resid 36 and name N  ) 1.0 -44.81 20.00 2

! Resdiue A 36 DATABASE
assign (resid 35 and name C  )(resid 36 and name N  )
       (resid 36 and name CA )(resid 36 and name C  ) 1.0 -65.77 20.00 2
assign (resid 36 and name N  )(resid 36 and name CA )
       (resid 36 and name C  )(resid 37 and name N  ) 1.0 -40.81 20.00 2

! Resdiue L 37 DATABASE
assign (resid 36 and name C  )(resid 37 and name N  )
       (resid 37 and name CA )(resid 37 and name C  ) 1.0 -62.97 20.00 2
assign (resid 37 and name N  )(resid 37 and name CA )
       (resid 37 and name C  )(resid 38 and name N  ) 1.0 -39.97 20.00 2

! Resdiue G 38 DATABASE
assign (resid 37 and name C  )(resid 38 and name N  )
       (resid 38 and name CA )(resid 38 and name C  ) 1.0 -62.98 20.00 2
assign (resid 38 and name N  )(resid 38 and name CA )
       (resid 38 and name C  )(resid 39 and name N  ) 1.0 -40.61 20.00 2

! Resdiue Y 39 DATABASE
assign (resid 38 and name C  )(resid 39 and name N  )
       (resid 39 and name CA )(resid 39 and name C  ) 1.0 -67.03 20.00 2
assign (resid 39 and name N  )(resid 39 and name CA )
       (resid 39 and name C  )(resid 40 and name N  ) 1.0 -41.01 20.00 2

! Resdiue A 40 DATABASE
assign (resid 39 and name C  )(resid 40 and name N  )
       (resid 40 and name CA )(resid 40 and name C  ) 1.0 -64.64 20.00 2
assign (resid 40 and name N  )(resid 40 and name CA )
       (resid 40 and name C  )(resid 41 and name N  ) 1.0 -40.10 20.00 2

! Resdiue K 41 DATABASE
assign (resid 40 and name C  )(resid 41 and name N  )
       (resid 41 and name CA )(resid 41 and name C  ) 1.0 -69.42 20.00 2
assign (resid 41 and name N  )(resid 41 and name CA )
       (resid 41 and name C  )(resid 42 and name N  ) 1.0 -35.04 20.00 2

! Resdiue A 42 DATABASE
assign (resid 41 and name C  )(resid 42 and name N  )
       (resid 42 and name CA )(resid 42 and name C  ) 1.0 -65.09 20.00 2
assign (resid 42 and name N  )(resid 42 and name CA )
       (resid 42 and name C  )(resid 43 and name N  ) 1.0 -43.07 20.00 2

! Resdiue I 43 DATABASE
assign (resid 42 and name C  )(resid 43 and name N  )
       (resid 43 and name CA )(resid 43 and name C  ) 1.0 -66.95 20.00 2
assign (resid 43 and name N  )(resid 43 and name CA )
       (resid 43 and name C  )(resid 44 and name N  ) 1.0 -40.70 20.00 2

! Resdiue N 44 DATABASE
assign (resid 43 and name C  )(resid 44 and name N  )
       (resid 44 and name CA )(resid 44 and name C  ) 1.0 -63.26 20.00 2
assign (resid 44 and name N  )(resid 44 and name CA )
       (resid 44 and name C  )(resid 45 and name N  ) 1.0 -37.27 20.00 2

! Resdiue A 45 DATABASE
assign (resid 44 and name C  )(resid 45 and name N  )
       (resid 45 and name CA )(resid 45 and name C  ) 1.0 -67.71 20.00 2
assign (resid 45 and name N  )(resid 45 and name CA )
       (resid 45 and name C  )(resid 46 and name N  ) 1.0 -41.75 20.00 2

! Resdiue L 46 DATABASE
assign (resid 45 and name C  )(resid 46 and name N  )
       (resid 46 and name CA )(resid 46 and name C  ) 1.0 -66.75 20.00 2
assign (resid 46 and name N  )(resid 46 and name CA )
       (resid 46 and name C  )(resid 47 and name N  ) 1.0 -39.28 20.00 2

! Resdiue F 49 DATABASE
assign (resid 48 and name C  )(resid 49 and name N  )
       (resid 49 and name CA )(resid 49 and name C  ) 1.0 -80.24 36.62 2
assign (resid 49 and name N  )(resid 49 and name CA )
       (resid 49 and name C  )(resid 50 and name N  ) 1.0 113.40 40.22 2

! Resdiue H 50 DATABASE
assign (resid 49 and name C  )(resid 50 and name N  )
       (resid 50 and name CA )(resid 50 and name C  ) 1.0 -80.56 42.82 2
assign (resid 50 and name N  )(resid 50 and name CA )
       (resid 50 and name C  )(resid 51 and name N  ) 1.0 -24.65 42.34 2

! Resdiue S 55 DATABASE
assign (resid 54 and name C  )(resid 55 and name N  )
       (resid 55 and name CA )(resid 55 and name C  ) 1.0 -119.15 49.52 2
assign (resid 55 and name N  )(resid 55 and name CA )
       (resid 55 and name C  )(resid 56 and name N  ) 1.0 158.69 29.98 2

! Resdiue Y 56 DATABASE
assign (resid 55 and name C  )(resid 56 and name N  )
       (resid 56 and name CA )(resid 56 and name C  ) 1.0 -62.02 20.00 2
assign (resid 56 and name N  )(resid 56 and name CA )
       (resid 56 and name C  )(resid 57 and name N  ) 1.0 -36.40 20.00 2

! Resdiue Q 57 DATABASE
assign (resid 56 and name C  )(resid 57 and name N  )
       (resid 57 and name CA )(resid 57 and name C  ) 1.0 -63.47 20.00 2
assign (resid 57 and name N  )(resid 57 and name CA )
       (resid 57 and name C  )(resid 58 and name N  ) 1.0 -38.76 20.00 2

! Resdiue E 58 DATABASE
assign (resid 57 and name C  )(resid 58 and name N  )
       (resid 58 and name CA )(resid 58 and name C  ) 1.0 -67.95 20.00 2
assign (resid 58 and name N  )(resid 58 and name CA )
       (resid 58 and name C  )(resid 59 and name N  ) 1.0 -40.06 20.00 2

! Resdiue A 59 DATABASE
assign (resid 58 and name C  )(resid 59 and name N  )
       (resid 59 and name CA )(resid 59 and name C  ) 1.0 -66.13 20.00 2
assign (resid 59 and name N  )(resid 59 and name CA )
       (resid 59 and name C  )(resid 60 and name N  ) 1.0 -41.62 20.00 2

! Resdiue K 67 DATABASE
assign (resid 66 and name C  )(resid 67 and name N  )
       (resid 67 and name CA )(resid 67 and name C  ) 1.0 -59.91 20.00 2
assign (resid 67 and name N  )(resid 67 and name CA )
       (resid 67 and name C  )(resid 68 and name N  ) 1.0 -36.23 20.00 2

! Resdiue R 68 DATABASE
assign (resid 67 and name C  )(resid 68 and name N  )
       (resid 68 and name CA )(resid 68 and name C  ) 1.0 -65.67 20.00 2
assign (resid 68 and name N  )(resid 68 and name CA )
       (resid 68 and name C  )(resid 69 and name N  ) 1.0 -39.77 20.00 2

! Resdiue M 69 DATABASE
assign (resid 68 and name C  )(resid 69 and name N  )
       (resid 69 and name CA )(resid 69 and name C  ) 1.0 -62.35 20.00 2
assign (resid 69 and name N  )(resid 69 and name CA )
       (resid 69 and name C  )(resid 70 and name N  ) 1.0 -41.03 20.00 2

! Resdiue A 70 DATABASE
assign (resid 69 and name C  )(resid 70 and name N  )
       (resid 70 and name CA )(resid 70 and name C  ) 1.0 -66.17 20.00 2
assign (resid 70 and name N  )(resid 70 and name CA )
       (resid 70 and name C  )(resid 71 and name N  ) 1.0 -42.11 20.00 2

! Resdiue E 71 DATABASE
assign (resid 70 and name C  )(resid 71 and name N  )
       (resid 71 and name CA )(resid 71 and name C  ) 1.0 -66.08 20.00 2
assign (resid 71 and name N  )(resid 71 and name CA )
       (resid 71 and name C  )(resid 72 and name N  ) 1.0 -39.18 22.48 2

! Resdiue K 72 DATABASE
assign (resid 71 and name C  )(resid 72 and name N  )
       (resid 72 and name CA )(resid 72 and name C  ) 1.0 -65.35 20.00 2
assign (resid 72 and name N  )(resid 72 and name CA )
       (resid 72 and name C  )(resid 73 and name N  ) 1.0 -37.16 20.00 2

! Resdiue I 73 DATABASE
assign (resid 72 and name C  )(resid 73 and name N  )
       (resid 73 and name CA )(resid 73 and name C  ) 1.0 -68.92 20.00 2
assign (resid 73 and name N  )(resid 73 and name CA )
       (resid 73 and name C  )(resid 74 and name N  ) 1.0 -38.72 20.00 2

! Resdiue I 74 DATABASE
assign (resid 73 and name C  )(resid 74 and name N  )
       (resid 74 and name CA )(resid 74 and name C  ) 1.0 -65.76 20.00 2
assign (resid 74 and name N  )(resid 74 and name CA )
       (resid 74 and name C  )(resid 75 and name N  ) 1.0 -39.17 20.00 2

! Resdiue E 75 DATABASE
assign (resid 74 and name C  )(resid 75 and name N  )
       (resid 75 and name CA )(resid 75 and name C  ) 1.0 -69.29 28.42 2
assign (resid 75 and name N  )(resid 75 and name CA )
       (resid 75 and name C  )(resid 76 and name N  ) 1.0 -39.85 20.00 2

! Resdiue I 76 DATABASE
assign (resid 75 and name C  )(resid 76 and name N  )
       (resid 76 and name CA )(resid 76 and name C  ) 1.0 -65.85 20.00 2
assign (resid 76 and name N  )(resid 76 and name CA )
       (resid 76 and name C  )(resid 77 and name N  ) 1.0 -42.95 20.00 2

! Resdiue L 77 DATABASE
assign (resid 76 and name C  )(resid 77 and name N  )
       (resid 77 and name CA )(resid 77 and name C  ) 1.0 -66.76 20.00 2
assign (resid 77 and name N  )(resid 77 and name CA )
       (resid 77 and name C  )(resid 78 and name N  ) 1.0 -35.79 20.00 2

! Resdiue R 83 DATABASE
assign (resid 82 and name C  )(resid 83 and name N  )
       (resid 83 and name CA )(resid 83 and name C  ) 1.0 -86.78 30.64 2
assign (resid 83 and name N  )(resid 83 and name CA )
       (resid 83 and name C  )(resid 84 and name N  ) 1.0 135.79 50.52 2

! Resdiue K 84 DATABASE
assign (resid 83 and name C  )(resid 84 and name N  )
       (resid 84 and name CA )(resid 84 and name C  ) 1.0 -82.51 28.34 2
assign (resid 84 and name N  )(resid 84 and name CA )
       (resid 84 and name C  )(resid 85 and name N  ) 1.0 133.84 35.98 2

! Resdiue L 85 DATABASE
assign (resid 84 and name C  )(resid 85 and name N  )
       (resid 85 and name CA )(resid 85 and name C  ) 1.0 -92.43 40.30 2
assign (resid 85 and name N  )(resid 85 and name CA )
       (resid 85 and name C  )(resid 86 and name N  ) 1.0 133.24 37.54 2

! Resdiue D 86 DATABASE
assign (resid 85 and name C  )(resid 86 and name N  )
       (resid 86 and name CA )(resid 86 and name C  ) 1.0 -76.53 40.32 2
assign (resid 86 and name N  )(resid 86 and name CA )
       (resid 86 and name C  )(resid 87 and name N  ) 1.0 129.58 55.80 2

set message=on echo=on end
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image	mrblock_id	pdb_id	bmrb_id	cing	in_recoord	stage	position	program	type
	9479	1nzp	5766	cing	recoord	1-original	1	XPLOR/CNS	dihedral angle