NMR Restraints Grid

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

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	537714	2ler	17726	cing	1-original	2	XPLOR/CNS	dihedral angle

 restraints
 dihedral

! dihedrals based on NOE HA-HA (no noe=trans)
assign (resid  3 and name   HN)  (resid  3 and name   N)  
       (resid  3 and name   CA)  (resid  3 and name   HA)  1.000  -120  30.0   2
       
assign (resid  2 and name   HN)  (resid  2 and name   N)  
       (resid  2 and name   CA)  (resid  2 and name   HA)  1.000  -120  30.0   2
       
assign (resid  4 and name   HN)  (resid  4 and name   N)  
       (resid  4 and name   CA)  (resid  4 and name   HA)  1.000  -120  30.0   2
       
!assign (resid  5 and name   HN)  (resid  5 and name   N)  
!       (resid  5 and name   CA)  (resid  5 and name   HA)  1.000  -120  30.0   2 omitted based on slow exchange of K5-NH
       
assign (resid  6 and name   HN)  (resid  6 and name   N)  
       (resid  6 and name   CA)  (resid  6 and name   HA)  1.000  -120  30.0   2
       
assign (resid  7 and name   HN)  (resid  7 and name   N)  
       (resid  7 and name   CA)  (resid  7 and name   HA)  1.000  -120  30.0   2
      
!assign (resid  8 and name   HN)  (resid  8 and name   N)  
!       (resid  8 and name   CA)  (resid  8 and name   HA)  1.000  -120  30.0   2 omitted based on slow exchange of F8-NH

assign (resid  9 and name   HN)  (resid  9 and name   N)  
       (resid  9 and name   CA)  (resid  9 and name   HA)  1.000  -120  30.0   2
       
assign (resid  10 and name   HN)  (resid  10 and name   N)  
       (resid  10 and name   CA)  (resid  10 and name   HA)  1.000  -120  30.0   2

assign (resid  11 and name   HN)  (resid  11 and name   N)  
       (resid  11 and name   CA)  (resid  11 and name   HA)  1.000  -120  30.0   2
       

       
!dihedrals in peptide bonds
assign (resid  1 and name   O)  (resid  1 and name   C)  
       (resid  2 and name   N)   (resid  2 and name   HN)  1.000  180  10.0   2

assign (resid  2 and name   O)  (resid  2 and name   C)  
       (resid  3 and name   N)   (resid  3 and name   HN)  1.000  180  10.0   2

assign (resid  3 and name   O)  (resid  3 and name   C)  
       (resid  4 and name   N)   (resid  4 and name   HN)  1.000  180  10.0   2

!assign (resid  4 and name   O)  (resid  4 and name   C)  
!       (resid  5 and name   N)   (resid  5 and name   HN)  1.000  180  10.0   2 omitted based on slow exchange of K5-NH

assign (resid  6 and name   O)  (resid  6 and name   C)  
       (resid  7 and name   N)   (resid  7 and name   HN)  1.000  180  10.0   2

!assign (resid  7 and name   O)  (resid  7 and name   C)  
!       (resid  8 and name   N)   (resid  8 and name   HN)  1.000  180  10.0   2 omitted based on slow exchange of F8-NH

!assign (resid  8 and name   O)  (resid  8 and name   C)  
!       (resid  9 and name   N)   (resid  9 and name   HN)  1.000  180  10.0   2 omitted based on slow exchange of F8-NH

assign (resid  9 and name   O)  (resid  9 and name   C)  
       (resid  10 and name   N)   (resid  10 and name   HN)  1.000  180  10.0   2

assign (resid  10 and name   O)  (resid  10 and name   C)  
       (resid  11 and name   N)   (resid  11 and name   HN)  1.000  180  10.0   2

end

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