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
2448 1bxp 4195 cing 1-original 2 XPLOR/CNS dihedral angle 


!DIHEDRAL ANGLES CONSTRAINTS 
!PHI ANGLES

!THE TOXIN MOLECULE (RESIDUES 1-74)

!!CYS 3
assign (resid  2 and name c )  (resid  3 and name n )
       (resid  3 and name ca)  (resid  3 and name c ) 1.0 -120.0 20.0 2
!!THR 5
assign (resid  4 and name c )  (resid  5 and name n )
       (resid  5 and name ca)  (resid  5 and name c ) 1.0 -120.0 20.0 2
!!THR 6
assign (resid  5 and name c )  (resid  6 and name n )
       (resid  6 and name ca)  (resid  6 and name c ) 1.0  -65.0 25.0 2
!!ALA 7
assign (resid  6 and name c )  (resid  7 and name n )
       (resid  7 and name ca)  (resid  7 and name c ) 1.0  -65.0 25.0 2
!!THR 8
assign (resid  7 and name c )  (resid  8 and name n )
       (resid  8 and name ca)  (resid  8 and name c ) 1.0 -120.0 20.0 2
!!SER 9
assign (resid  8 and name c )  (resid  9 and name n )
       (resid  9 and name ca)  (resid  9 and name c ) 1.0 -120.0 50.0 2
!!SER 12
assign (resid 11 and name c )  (resid 12 and name n )
       (resid 12 and name ca)  (resid 12 and name c ) 1.0 -120.0 50.0 2
!!ALA 13
assign (resid 12 and name c )  (resid 13 and name n )
       (resid 13 and name ca)  (resid 13 and name c ) 1.0 -120.0 50.0 2
!!VAL 14
assign (resid 13 and name c )  (resid 14 and name n )
       (resid 14 and name ca)  (resid 14 and name c ) 1.0 -120.0 50.0 2
!!GLU 20
assign (resid 19 and name c )  (resid 20 and name n )
       (resid 20 and name ca)  (resid 20 and name c ) 1.0 -120.0 50.0 2
!!ASN 21
 assign (resid 20 and name c )  (resid 21 and name n )
        (resid 21 and name ca)  (resid 21 and name c ) 1.0 -120.0 50.0 2
!!LEU 22
assign (resid 21 and name c )  (resid 22 and name n )
       (resid 22 and name ca)  (resid 22 and name c ) 1.0 -120.0 50.0 2
!!CYS 23
assign (resid 22 and name c )  (resid 23 and name n )
       (resid 23 and name ca)  (resid 23 and name c ) 1.0 -120.0 20.0 2
!!TYR 24
assign (resid 23 and name c )  (resid 24 and name n )
       (resid 24 and name ca)  (resid 24 and name c ) 1.0 -120.0 50.0 2
!!ARG 25
assign (resid 24 and name c )  (resid 25 and name n )
       (resid 25 and name ca)  (resid 25 and name c ) 1.0 -120.0 50.0 2
!!LYS 26
 assign (resid 25 and name c )  (resid 26 and name n )
        (resid 26 and name ca)  (resid 26 and name c ) 1.0 -120.0 50.0 2
!!MET 27
assign (resid 26 and name c )  (resid 27 and name n )
       (resid 27 and name ca)  (resid 27 and name c ) 1.0 -120.0 50.0 2
!!ASP 30
 assign (resid 29 and name c )  (resid 30 and name n )
        (resid 30 and name ca)  (resid 30 and name c ) 1.0 -120.0 50.0 2

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