NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

3681 1e0z cing 1-original 6 XPLOR/CNS dihedral angle

! Dihedral angle restraints to maintain the geometry of the
! cluster vicinity

assign (resid 59 and name c ) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 5 -63.91 10 2
assign (resid 60 and name n ) (resid 60 and name ca)
       (resid 60 and name c ) (resid 61 and name n) 5 142.94 10 2
assign (resid 60 and name c ) (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 5 -169.19 10 2
assign (resid 61 and name n ) (resid 61 and name ca)
       (resid 61 and name c ) (resid 62 and name n) 5 157.78 10 2
assign (resid 61 and name c ) (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c) 5 -134.17 10 2
assign (resid 62 and name n ) (resid 62 and name ca)
       (resid 62 and name c ) (resid 63 and name n) 5 -68.71 10 2
assign (resid 62 and name c ) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 5 -73.48 10 2
assign (resid 63 and name n ) (resid 63 and name ca)
       (resid 63 and name c ) (resid 64 and name n) 5 -31.31 10 2
assign (resid 63 and name c ) (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 5 55.10 10 2
assign (resid 64 and name n ) (resid 64 and name ca)
       (resid 64 and name c ) (resid 65 and name n) 5 20.74 10 2
assign (resid 64 and name c ) (resid 65 and name n)
       (resid 65 and name ca) (resid 65 and name c) 5 -128.29 10 2
assign (resid 65 and name n ) (resid 65 and name ca)
       (resid 65 and name c ) (resid 66 and name n) 5 12.71 10 2
assign (resid 65 and name c ) (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c) 5 72.75 10 2
assign (resid 66 and name n ) (resid 66 and name ca)
       (resid 66 and name c ) (resid 67 and name n) 5 28.11 10 2
assign (resid 66 and name c ) (resid 67 and name n)
       (resid 67 and name ca) (resid 67 and name c) 5 -122.23 10 2
assign (resid 67 and name n ) (resid 67 and name ca)
       (resid 67 and name c ) (resid 68 and name n) 5 15.86 10 2
assign (resid 67 and name c ) (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c) 5 -149.00 10 2
assign (resid 68 and name n ) (resid 68 and name ca)
       (resid 68 and name c ) (resid 69 and name n) 5 -174.41 10 2
assign (resid 68 and name c ) (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c) 5 -115.22 10 2
assign (resid 69 and name n ) (resid 69 and name ca)
       (resid 69 and name c ) (resid 70 and name n) 5 8.19 10 2
assign (resid 69 and name c ) (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c) 5 -67.61 10 2
assign (resid 70 and name n ) (resid 70 and name ca)
       (resid 70 and name c ) (resid 71 and name n) 5 -29.31 10 2
assign (resid 70 and name c ) (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c) 5 -91.67 10 2
assign (resid 71 and name n ) (resid 71 and name ca)
       (resid 71 and name c ) (resid 72 and name n) 5 3.09 10 2
assign (resid 71 and name c ) (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c) 5 -47.44 10 2
assign (resid 72 and name n ) (resid 72 and name ca)
       (resid 72 and name c ) (resid 73 and name n) 5 147.99 10 2

assign (resid 86 and name c ) (resid 87 and name n)
       (resid 87 and name ca) (resid 87 and name c) 5 -80.09 10 2
assign (resid 87 and name n ) (resid 87 and name ca)
       (resid 87 and name c ) (resid 88 and name n) 5 -32.15 10 2
assign (resid 99 and name c ) (resid 100 and name n)
       (resid 100 and name ca) (resid 100 and name c) 5 -105.17 10 2
assign (resid 100 and name n ) (resid 100 and name ca)
       (resid 100 and name c ) (resid 101 and name n) 5 117.64 10 2
assign (resid 100 and name c ) (resid 101 and name n)
       (resid 101 and name ca) (resid 101 and name c) 5 -72.17 10 2
assign (resid 101 and name n ) (resid 101 and name ca)
       (resid 101 and name c ) (resid 102 and name n) 5 -22.97 10 2
assign (resid 101 and name c ) (resid 102 and name n)
       (resid 102 and name ca) (resid 102 and name c) 5 -67.55 10 2
assign (resid 102 and name n ) (resid 102 and name ca)
       (resid 102 and name c ) (resid 103 and name n) 5 -24.74 10 2
assign (resid 102 and name c ) (resid 103 and name n)
       (resid 103 and name ca) (resid 103 and name c) 5 -124.35 10 2
assign (resid 103 and name n ) (resid 103 and name ca)
       (resid 103 and name c ) (resid 104 and name n) 5 23.71 10 2
assign (resid 103 and name c ) (resid 104 and name n)
       (resid 104 and name ca) (resid 104 and name c) 5 -128.98 10 2
assign (resid 104 and name n ) (resid 104 and name ca)
       (resid 104 and name c ) (resid 105 and name n) 5 144.87 10 2


assign (resid 63 and name N) (resid 63 and name CA)
       (resid 63 and name CB) (resid 63 and name SG) 20 80 30 2

assign (resid 68 and name N) (resid 68 and name CA)
       (resid 68 and name CB) (resid 68 and name SG) 20 85 30 2

assign (resid 71 and name N) (resid 71 and name CA)
       (resid 71 and name CB) (resid 71 and name SG) 20 70 30 2

assign (resid 102 and name N) (resid 102 and name CA)
       (resid 102 and name CB) (resid 102 and name SG) 20 70 30 2



assign (resid 63 and name CA) (resid 63 and name CB)
       (resid 63 and name SG) (resid 1 and name FE1 and segid "FE_S") 20 -60 30 2

assign (resid 68 and name CA) (resid 68 and name CB)
       (resid 68 and name SG) (resid 1 and name FE1 and segid "FE_S") 20 -60 30 2

assign (resid 71 and name CA) (resid 71 and name CB)
       (resid 71 and name SG) (resid 1 and name FE2 and segid "FE_S") 20 -130 30 2

assign (resid 102 and name CA) (resid 102 and name CB)
       (resid 102 and name SG) (resid 1 and name FE2 and segid "FE_S") 20 -120 30 2


assign (resid 63 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE1)
       (resid 1 and segid "FE_S" and name S1) (resid 1 and segid "FE_S" and name FE2) 20 110 30 2

assign (resid 68 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE1)
       (resid 1 and segid "FE_S" and name S1) (resid 1 and segid "FE_S" and name FE2) 20 -120 30 2

assign (resid 71 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE2)
       (resid 1 and segid "FE_S" and name S2) (resid 1 and segid "FE_S" and name FE1) 20 -130 30 2

assign (resid 102 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE2)
       (resid 1 and segid "FE_S" and name S2) (resid 1 and segid "FE_S" and name FE1) 20 120 30 2
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image	mrblock_id	pdb_id	cing	stage	position	program	type
	3681	1e0z	cing	1-original	6	XPLOR/CNS	dihedral angle