NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	1360	1ajf	cing	1-original	4	XPLOR/CNS	dihedral angle

{Keep G amino groups in the plane of the base}
assign (residue 1 and name h22)(residue 1 and name n2)
    (residue 1 and name c2)(residue 1 and name n3) 10 0 5 2
assign (residue 5 and name h22)(residue 5 and name n2)
    (residue 5 and name c2)(residue 5 and name n3) 10 0 5 2
assign (residue 6 and name h22)(residue 6 and name n2)
    (residue 6 and name c2)(residue 6 and name n3) 10 0 5 2
assign (residue 7 and name h22)(residue 7 and name n2)
    (residue 7 and name c2)(residue 7 and name n3) 10 0 5 2
assign (residue 8 and name h22)(residue 8 and name n2)
    (residue 8 and name c2)(residue 8 and name n3) 10 0 5 2
assign (residue 16 and name h22)(residue 16 and name n2)
    (residue 16 and name c2)(residue 16 and name n3) 10 0 5 2

{Keep C amino groups in the plane of the base}
assign (residue 3 and name h42)(residue 3 and name n4)
    (residue 3 and name c4)(residue 3 and name c5) 10 0 5 2
assign (residue 12 and name h42)(residue 12 and name n4)
    (residue 12 and name c4)(residue 12 and name c5) 10 0 5 2
assign (residue 18 and name h42)(residue 18 and name n4)
    (residue 18 and name c4)(residue 18 and name c5) 10 0 5 2

{Keep A amino groups in the plane of the base}
assign (residue 2 and name h62)(residue 2 and name n6)
    (residue 2 and name c6)(residue 2 and name c5) 10 0 5 2
assign (residue 4 and name h62)(residue 4 and name n6)
    (residue 4 and name c6)(residue 4 and name c5) 10 0 5 2
assign (residue 9 and name h62)(residue 9 and name n6)
    (residue 9 and name c6)(residue 9 and name c5) 10 0 5 2
assign (residue 10 and name h62)(residue 10 and name n6)
    (residue 10 and name c6)(residue 10 and name c5) 10 0 5 2
assign (residue 11 and name h62)(residue 11 and name n6)
    (residue 11 and name c6)(residue 11 and name c5) 10 0 5 2

{Make some nucleotides c3'-endo, restrain v0, v1,v2, and v3 instead of delta}
{Restrain all residues.  No C2' endo sugars found via NMR}
assign (residue 2 and name c4')(residue 2 and name o4')
    (residue 2 and name c1')(residue 2 and name c2') 2 0 5 2
assign (residue 2 and name o4')(residue 2 and name c1')
    (residue 2 and name c2')(residue 2 and name c3') 2 -22 5 2
assign (residue 2 and name c1')(residue 2 and name c2')
    (residue 2 and name c3')(residue 2 and name c4') 2 36 5 2 
assign (residue 2 and name c2')(residue 2 and name c3')
    (residue 2 and name c4')(residue 2 and name o4') 2 -36 5 2 

assign (residue 3 and name c4')(residue 3 and name o4')
    (residue 3 and name c1')(residue 3 and name c2') 2 0 5 2
assign (residue 3 and name o4')(residue 3 and name c1')
    (residue 3 and name c2')(residue 3 and name c3') 2 -22 5 2
assign (residue 3 and name c1')(residue 3 and name c2')
    (residue 3 and name c3')(residue 3 and name c4') 2 36 5 2 
assign (residue 3 and name c2')(residue 3 and name c3')
    (residue 3 and name c4')(residue 3 and name o4') 2 -36 5 2 

assign (residue 4 and name c4')(residue 4 and name o4')
    (residue 4 and name c1')(residue 4 and name c2') 2 0 5 2
assign (residue 4 and name o4')(residue 4 and name c1')
    (residue 4 and name c2')(residue 4 and name c3') 2 -22 5 2
assign (residue 4 and name c1')(residue 4 and name c2')
    (residue 4 and name c3')(residue 4 and name c4') 2 36 5 2 
assign (residue 4 and name c2')(residue 4 and name c3')
    (residue 4 and name c4')(residue 4 and name o4') 2 -36 5 2 

assign (residue 5 and name c4')(residue 5 and name o4')
    (residue 5 and name c1')(residue 5 and name c2') 2 0 5 2
assign (residue 5 and name o4')(residue 5 and name c1')
    (residue 5 and name c2')(residue 5 and name c3') 2 -22 5 2
assign (residue 5 and name c1')(residue 5 and name c2')
    (residue 5 and name c3')(residue 5 and name c4') 2 36 5 2 
assign (residue 5 and name c2')(residue 5 and name c3')
    (residue 5 and name c4')(residue 5 and name o4') 2 -36 5 2 

assign (residue 6 and name c4')(residue 6 and name o4')
    (residue 6 and name c1')(residue 6 and name c2') 2 0 5 2
assign (residue 6 and name o4')(residue 6 and name c1')
    (residue 6 and name c2')(residue 6 and name c3') 2 -22 5 2
assign (residue 6 and name c1')(residue 6 and name c2')
    (residue 6 and name c3')(residue 6 and name c4') 2 36 5 2 
assign (residue 6 and name c2')(residue 6 and name c3')
    (residue 6 and name c4')(residue 6 and name o4') 2 -36 5 2 

assign (residue 7 and name c4')(residue 7 and name o4')
    (residue 7 and name c1')(residue 7 and name c2') 2 0 5 2
assign (residue 7 and name o4')(residue 7 and name c1')
    (residue 7 and name c2')(residue 7 and name c3') 2 -22 5 2
assign (residue 7 and name c1')(residue 7 and name c2')
    (residue 7 and name c3')(residue 7 and name c4') 2 36 5 2 
assign (residue 7 and name c2')(residue 7 and name c3')
    (residue 7 and name c4')(residue 7 and name o4') 2 -36 5 2 

assign (residue 8 and name c4')(residue 8 and name o4')
    (residue 8 and name c1')(residue 8 and name c2') 2 0 5 2
assign (residue 8 and name o4')(residue 8 and name c1')
    (residue 8 and name c2')(residue 8 and name c3') 2 -22 5 2
assign (residue 8 and name c1')(residue 8 and name c2')
    (residue 8 and name c3')(residue 8 and name c4') 2 36 5 2 
assign (residue 8 and name c2')(residue 8 and name c3')
    (residue 8 and name c4')(residue 8 and name o4') 2 -36 5 2 

assign (residue 9 and name c4')(residue 9 and name o4')
    (residue 9 and name c1')(residue 9 and name c2') 2 0 5 2
assign (residue 9 and name o4')(residue 9 and name c1')
    (residue 9 and name c2')(residue 9 and name c3') 2 -22 5 2
assign (residue 9 and name c1')(residue 9 and name c2')
    (residue 9 and name c3')(residue 9 and name c4') 2 36 5 2 
assign (residue 9 and name c2')(residue 9 and name c3')
    (residue 9 and name c4')(residue 9 and name o4') 2 -36 5 2 

assign (residue 10 and name c4')(residue 10 and name o4')
    (residue 10 and name c1')(residue 10 and name c2') 2 0 5 2
assign (residue 10 and name o4')(residue 10 and name c1')
    (residue 10 and name c2')(residue 10 and name c3') 2 -22 5 2
assign (residue 10 and name c1')(residue 10 and name c2')
    (residue 10 and name c3')(residue 10 and name c4') 2 36 5 2 
assign (residue 10 and name c2')(residue 10 and name c3')
    (residue 10 and name c4')(residue 10 and name o4') 2 -36 5 2 

assign (residue 11 and name c4')(residue 11 and name o4')
    (residue 11 and name c1')(residue 11 and name c2') 2 0 5 2
assign (residue 11 and name o4')(residue 11 and name c1')
    (residue 11 and name c2')(residue 11 and name c3') 2 -22 5 2
assign (residue 11 and name c1')(residue 11 and name c2')
    (residue 11 and name c3')(residue 11 and name c4') 2 36 5 2 
assign (residue 11 and name c2')(residue 11 and name c3')
    (residue 11 and name c4')(residue 11 and name o4') 2 -36 5 2

assign (residue 12 and name c4')(residue 12 and name o4')
    (residue 12 and name c1')(residue 12 and name c2') 2 0 5 2
assign (residue 12 and name o4')(residue 12 and name c1')
    (residue 12 and name c2')(residue 12 and name c3') 2 -22 5 2
assign (residue 12 and name c1')(residue 12 and name c2')
    (residue 12 and name c3')(residue 12 and name c4') 2 36 5 2 
assign (residue 12 and name c2')(residue 12 and name c3')
    (residue 12 and name c4')(residue 12 and name o4') 2 -36 5 2

assign (residue 13 and name c4')(residue 13 and name o4')
    (residue 13 and name c1')(residue 13 and name c2') 2 0 5 2
assign (residue 13 and name o4')(residue 13 and name c1')
    (residue 13 and name c2')(residue 13 and name c3') 2 -22 5 2
assign (residue 13 and name c1')(residue 13 and name c2')
    (residue 13 and name c3')(residue 13 and name c4') 2 36 5 2 
assign (residue 13 and name c2')(residue 13 and name c3')
    (residue 13 and name c4')(residue 13 and name o4') 2 -36 5 2

assign (residue 14 and name c4')(residue 14 and name o4')
    (residue 14 and name c1')(residue 14 and name c2') 2 0 5 2
assign (residue 14 and name o4')(residue 14 and name c1')
    (residue 14 and name c2')(residue 14 and name c3') 2 -22 5 2
assign (residue 14 and name c1')(residue 14 and name c2')
    (residue 14 and name c3')(residue 14 and name c4') 2 36 5 2 
assign (residue 14 and name c2')(residue 14 and name c3')
    (residue 14 and name c4')(residue 14 and name o4') 2 -36 5 2

assign (residue 15 and name c4')(residue 15 and name o4')
    (residue 15 and name c1')(residue 15 and name c2') 2 0 5 2
assign (residue 15 and name o4')(residue 15 and name c1')
    (residue 15 and name c2')(residue 15 and name c3') 2 -22 5 2
assign (residue 15 and name c1')(residue 15 and name c2')
    (residue 15 and name c3')(residue 15 and name c4') 2 36 5 2 
assign (residue 15 and name c2')(residue 15 and name c3')
    (residue 15 and name c4')(residue 15 and name o4') 2 -36 5 2

assign (residue 16 and name c4')(residue 16 and name o4')
    (residue 16 and name c1')(residue 16 and name c2') 2 0 5 2
assign (residue 16 and name o4')(residue 16 and name c1')
    (residue 16 and name c2')(residue 16 and name c3') 2 -22 5 2
assign (residue 16 and name c1')(residue 16 and name c2')
    (residue 16 and name c3')(residue 16 and name c4') 2 36 5 2 
assign (residue 16 and name c2')(residue 16 and name c3')
    (residue 16 and name c4')(residue 16 and name o4') 2 -36 5 2

assign (residue 17 and name c4')(residue 17 and name o4')
    (residue 17 and name c1')(residue 17 and name c2') 2 0 5 2
assign (residue 17 and name o4')(residue 17 and name c1')
    (residue 17 and name c2')(residue 17 and name c3') 2 -22 5 2
assign (residue 17 and name c1')(residue 17 and name c2')
    (residue 17 and name c3')(residue 17 and name c4') 2 36 5 2 
assign (residue 17 and name c2')(residue 17 and name c3')
    (residue 17 and name c4')(residue 17 and name o4') 2 -36 5 2

{Keep bases anti}
{Restrain all residues.  No syn bases seen in NMR}
assign (residue 1 and name o4')(residue 1 and name c1')
    (residue 1 and name n9)(residue 1 and name c4) 2 -160 50 2
assign (residue 2 and name o4')(residue 2 and name c1')
    (residue 2 and name n9)(residue 2 and name c4) 2 -160 50 2
assign (residue 3 and name o4')(residue 3 and name c1')
    (residue 3 and name n1)(residue 3 and name c2) 2 -160 50 2
assign (residue 4 and name o4')(residue 4 and name c1')
    (residue 4 and name n9)(residue 4 and name c4) 2 -160 50 2
assign (residue 5 and name o4')(residue 5 and name c1')
    (residue 5 and name n9)(residue 5 and name c4) 2 -160 50 2
assign (residue 6 and name o4')(residue 6 and name c1')
    (residue 6 and name n9)(residue 6 and name c4) 2 -160 50 2
assign (residue 7 and name o4')(residue 7 and name c1')
    (residue 7 and name n9)(residue 7 and name c4) 2 -160 50 2
assign (residue 8 and name o4')(residue 8 and name c1')
    (residue 8 and name n9)(residue 8 and name c4) 2 -160 50 2
assign (residue 9 and name o4')(residue 9 and name c1')
    (residue 9 and name n9)(residue 9 and name c4) 2 -160 50 2
assign (residue 10 and name o4')(residue 10 and name c1') 
    (residue 10 and name n9)(residue 10 and name c4) 2 -160 50 2
assign (residue 11 and name o4')(residue 11 and name c1')
    (residue 11 and name n9)(residue 11 and name c4) 2 -160 50 2
assign (residue 12 and name o4')(residue 12 and name c1')
    (residue 12 and name n1)(residue 12 and name c2) 2 -160 50 2
assign (residue 13 and name o4')(residue 13 and name c1')
    (residue 13 and name n1)(residue 13 and name c2) 2 -160 50 2
assign (residue 14 and name o4')(residue 14 and name c1')
    (residue 14 and name n1)(residue 14 and name c2) 2 -160 50 2
assign (residue 15 and name o4')(residue 15 and name c1')
    (residue 15 and name n1)(residue 15 and name c2) 2 -160 50 2
assign (residue 16 and name o4')(residue 16 and name c1')
    (residue 16 and name n9)(residue 16 and name c4) 2 -160 50 2
assign (residue 17 and name o4')(residue 17 and name c1')
    (residue 17 and name n1)(residue 17 and name c2) 2 -160 50 2
assign (residue 18 and name o4')(residue 18 and name c1')
    (residue 18 and name n1)(residue 18 and name c2) 2 -160 50 2

{Torsion angle beta - standard A-form, from Suman}
{Restrain all residues to standard A-form except loop region}
assign (residue 2 and name p)(residue 2 and name o5')
    (residue 2 and name c5')(residue 2 and name c4') 2 180 20 2
assign (residue 3 and name p)(residue 3 and name o5')
    (residue 3 and name c5')(residue 3 and name c4') 2 180 20 2
assign (residue 4 and name p)(residue 4 and name o5')
    (residue 4 and name c5')(residue 4 and name c4') 2 180 20 2
assign (residue 5 and name p)(residue 5 and name o5')
    (residue 5 and name c5')(residue 5 and name c4') 2 180 20 2
assign (residue 6 and name p)(residue 6 and name o5')
    (residue 6 and name c5')(residue 6 and name c4') 2 180 20 2
assign (residue 7 and name p)(residue 7 and name o5')
    (residue 7 and name c5')(residue 7 and name c4') 2 180 20 2
assign (residue 12 and name p)(residue 12 and name o5')
    (residue 12 and name c5')(residue 12 and name c4') 2 180 20 2
assign (residue 13 and name p)(residue 13 and name o5')
    (residue 13 and name c5')(residue 13 and name c4') 2 180 20 2
assign (residue 14 and name p)(residue 14 and name o5')
    (residue 14 and name c5')(residue 14 and name c4') 2 180 20 2
assign (residue 15 and name p)(residue 15 and name o5')
    (residue 15 and name c5')(residue 15 and name c4') 2 180 20 2
assign (residue 16 and name p)(residue 16 and name o5')
    (residue 16 and name c5')(residue 16 and name c4') 2 180 20 2
assign (residue 17 and name p)(residue 17 and name o5')
    (residue 17 and name c5')(residue 17 and name c4') 2 180 20 2
assign (residue 18 and name p)(residue 18 and name o5')
    (residue 18 and name c5')(residue 18 and name c4') 2 180 20 2

{Torsion angle gamma; standard A-form, from Suman}
{Restrain all residues to standard A-form except loop region}
assign (residue 1 and name o5')(residue 1 and name c5')
    (residue 1 and name c4')(residue 1 and name c3') 2 55 30 2
assign (residue 2 and name o5')(residue 2 and name c5')
    (residue 2 and name c4')(residue 2 and name c3') 2 55 30 2
assign (residue 3 and name o5')(residue 3 and name c5')
    (residue 3 and name c4')(residue 3 and name c3') 2 55 30 2
assign (residue 4 and name o5')(residue 4 and name c5')
    (residue 4 and name c4')(residue 4 and name c3') 2 55 30 2
assign (residue 5 and name o5')(residue 5 and name c5')
    (residue 5 and name c4')(residue 5 and name c3') 2 55 30 2
assign (residue 6 and name o5')(residue 6 and name c5')
    (residue 6 and name c4')(residue 6 and name c3') 2 55 30 2
assign (residue 7 and name o5')(residue 7 and name c5')
    (residue 7 and name c4')(residue 7 and name c3') 2 55 30 2
assign (residue 12 and name o5')(residue 12 and name c5')
    (residue 12 and name c4')(residue 12 and name c3') 2 55 30 2
assign (residue 13 and name o5')(residue 13 and name c5')
    (residue 13 and name c4')(residue 13 and name c3') 2 55 30 2
assign (residue 14 and name o5')(residue 14 and name c5')
    (residue 14 and name c4')(residue 14 and name c3') 2 55 30 2
assign (residue 15 and name o5')(residue 15 and name c5')
    (residue 15 and name c4')(residue 15 and name c3') 2 55 30 2
assign (residue 16 and name o5')(residue 16 and name c5')
    (residue 16 and name c4')(residue 16 and name c3') 2 55 30 2
assign (residue 17 and name o5')(residue 17 and name c5')
    (residue 17 and name c4')(residue 17 and name c3') 2 55 30 2
assign (residue 18 and name o5')(residue 18 and name c5')
    (residue 18 and name c4')(residue 18 and name c3') 2 55 30 2

{Torsion angle epsilon; standard A-Form, From Suman}
{Restrain all residues to standard A-form except loop region}
assign (residue 1 and name c4')(residue 1 and name c3')
    (residue 1 and name o3')(residue 2 and name p) 2 -155 20 2
assign (residue 2 and name c4')(residue 2 and name c3')
    (residue 2 and name o3')(residue 3 and name p) 2 -155 20 2
assign (residue 3 and name c4')(residue 3 and name c3')
    (residue 3 and name o3')(residue 4 and name p) 2 -155 20 2
assign (residue 4 and name c4')(residue 4 and name c3')
    (residue 4 and name o3')(residue 5 and name p) 2 -155 20 2
assign (residue 5 and name c4')(residue 5 and name c3')
    (residue 5 and name o3')(residue 6 and name p) 2 -155 20 2
assign (residue 6 and name c4')(residue 6 and name c3')
    (residue 6 and name o3')(residue 7 and name p) 2 -155 20 2
assign (residue 7 and name c4')(residue 7 and name c3')
    (residue 7 and name o3')(residue 8 and name p) 2 -155 20 2
assign (residue 12 and name c4')(residue 12 and name c3')
    (residue 12 and name o3')(residue 13 and name p) 2 -155 20 2
assign (residue 13 and name c4')(residue 13 and name c3')
    (residue 13 and name o3')(residue 14 and name p) 2 -155 20 2
assign (residue 14 and name c4')(residue 14 and name c3')
    (residue 14 and name o3')(residue 15 and name p) 2 -155 20 2
assign (residue 15 and name c4')(residue 15 and name c3')
    (residue 15 and name o3')(residue 16 and name p) 2 -155 20 2
assign (residue 16 and name c4')(residue 16 and name c3')
    (residue 16 and name o3')(residue 17 and name p) 2 -155 20 2
assign (residue 17 and name c4')(residue 17 and name c3')
    (residue 17 and name o3')(residue 18 and name p) 2 -155 20 2

{Torsion angle alpha; Standard A-Form, from Suman}
{Restrain all residues to standard A-form except loop region}
assign (residue 1 and name o3')(residue 2 and name p)
    (residue 2 and name o5')(residue 2 and name c5') 2 -70 30 2
assign (residue 2 and name o3')(residue 3 and name p)
    (residue 3 and name o5')(residue 3 and name c5') 2 -70 30 2
assign (residue 3 and name o3')(residue 4 and name p)
    (residue 4 and name o5')(residue 4 and name c5') 2 -70 30 2
assign (residue 4 and name o3')(residue 5 and name p)
    (residue 5 and name o5')(residue 5 and name c5') 2 -70 30 2
assign (residue 5 and name o3')(residue 6 and name p)
    (residue 6 and name o5')(residue 6 and name c5') 2 -70 30 2
assign (residue 6 and name o3')(residue 7 and name p)
    (residue 7 and name o5')(residue 7 and name c5') 2 -70 30 2
assign (residue 12 and name o3')(residue 13 and name p)
    (residue 13 and name o5')(residue 13 and name c5') 2 -70 30 2
assign (residue 13 and name o3')(residue 14 and name p)
    (residue 14 and name o5')(residue 14 and name c5') 2 -70 30 2
assign (residue 14 and name o3')(residue 15 and name p)
    (residue 15 and name o5')(residue 15 and name c5') 2 -70 30 2
assign (residue 15 and name o3')(residue 16 and name p)
    (residue 16 and name o5')(residue 16 and name c5') 2 -70 30 2
assign (residue 16 and name o3')(residue 17 and name p)
    (residue 17 and name o5')(residue 17 and name c5') 2 -70 30 2
assign (residue 17 and name o3')(residue 18 and name p)
    (residue 18 and name o5')(residue 18 and name c5') 2 -70 30 2

{Torsion angle zeta; standard A-form, from Suman}
{Restrain all residues to standard A-form except loop region}
assign (residue 1 and name c3')(residue 1 and name o3')
    (residue 2 and name p)(residue 2 and name o5') 2 -70 30 2
assign (residue 2 and name c3')(residue 2 and name o3')
    (residue 3 and name p)(residue 3 and name o5') 2 -70 30 2
assign (residue 3 and name c3')(residue 3 and name o3')
    (residue 4 and name p)(residue 4 and name o5') 2 -70 30 2
assign (residue 4 and name c3')(residue 4 and name o3')
    (residue 5 and name p)(residue 5 and name o5') 2 -70 30 2
assign (residue 5 and name c3')(residue 5 and name o3')
    (residue 6 and name p)(residue 6 and name o5') 2 -70 30 2
assign (residue 6 and name c3')(residue 6 and name o3')
    (residue 7 and name p)(residue 7 and name o5') 2 -70 30 2
assign (residue 7 and name c3')(residue 7 and name o3')
    (residue 8 and name p)(residue 8 and name o5') 2 -70 30 2
assign (residue 12 and name c3')(residue 12 and name o3')
    (residue 13 and name p)(residue 13 and name o5') 2 -70 30 2
assign (residue 13 and name c3')(residue 13 and name o3')
    (residue 14 and name p)(residue 14 and name o5') 2 -70 30 2
assign (residue 14 and name c3')(residue 14 and name o3')
    (residue 15 and name p)(residue 15 and name o5') 2 -70 30 2
assign (residue 15 and name c3')(residue 15 and name o3')
    (residue 16 and name p)(residue 16 and name o5') 2 -70 30 2
assign (residue 16 and name c3')(residue 16 and name o3')
    (residue 17 and name p)(residue 17 and name o5') 2 -70 30 2
assign (residue 17 and name c3')(residue 17 and name o3')
    (residue 18 and name p)(residue 18 and name o5') 2 -70 30 2

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