NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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582990 |
2mgt   |
19602 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!impropers for Zn coordination taken from QM/MM calculations
assign (resid 11 and segid A and name Cd) (resid 14 and segid B and name Ne2)
(resid 17 and name ZN) (resid 11 and segid B and name Cd) 1.0 120.00 5.00 2
assign (resid 11 and segid B and name Cd) (resid 14 and segid B and name Ne2)
(resid 17 and name ZN) (resid 14 and segid A and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 14 and segid B and name Ne2)
(resid 17 and name ZN) (resid 11 and segid A and name Cd) 1.0 120.00 5.00 2
assign (resid 11 and segid B and name Cd) (resid 14 and segid A and name Ne2)
(resid 17 and name ZN) (resid 11 and segid A and name Cd) 1.0 120.00 5.00 2
assign (resid 11 and segid A and name Cd) (resid 14 and segid A and name Ne2)
(resid 17 and name ZN) (resid 14 and segid B and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 14 and segid A and name Ne2)
(resid 17 and name ZN) (resid 11 and segid B and name Cd) 1.0 120.00 5.00 2
assign (resid 14 and segid B and name Ne2) (resid 11 and segid A and name Cd)
(resid 17 and name ZN) (resid 14 and segid A and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 11 and segid A and name Cd)
(resid 17 and name ZN) (resid 11 and segid B and name Cd) 1.0 120.00 5.00 2
assign (resid 11 and segid B and name Cd) (resid 11 and segid A and name Cd)
(resid 17 and name ZN) (resid 14 and segid B and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid B and name Ne2) (resid 11 and segid B and name Cd)
(resid 17 and name ZN) (resid 11 and segid A and name Cd) 1.0 120.00 5.00 2
assign (resid 11 and segid A and name Cd) (resid 11 and segid B and name Cd)
(resid 17 and name ZN) (resid 14 and segid A and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 11 and segid B and name Cd)
(resid 17 and name ZN) (resid 14 and segid B and name Ne2) 1.0 120.00 5.00 2
assign (resid 17 and name ZN) (resid 11 and segid A and name Oe2)
(resid 11 and segid A and name Cd) (resid 11 and segid A and name Cg) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 11 and segid A and name Oe1)
(resid 11 and segid A and name Cd) (resid 11 and segid A and name Cg) 1.0 -180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid A and name Ne2)
(resid 14 and segid A and name Ce1) (resid 14 and segid A and name Nd1) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid A and name Ne2)
(resid 14 and segid A and name Cd2) (resid 14 and segid A and name Cg) 1.0 -180.00 5.00 2
assign (resid 17 and name ZN) (resid 11 and segid B and name Oe2)
(resid 11 and segid B and name Cd) (resid 11 and segid B and name Cg) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 11 and segid B and name Oe1)
(resid 11 and segid B and name Cd) (resid 11 and segid B and name Cg) 1.0 -180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid B and name Ne2)
(resid 14 and segid B and name Ce1) (resid 14 and segid B and name Nd1) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid B and name Ne2)
(resid 14 and segid B and name Cd2) (resid 14 and segid B and name Cg) 1.0 -180.00 5.00 2
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