NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage position program type
1566 1apf cing recoord 1-original 4 XPLOR/CNS dihedral angle


                assign (resid  1 and name c) (resid  2 and name  n)
                  (resid  2 and name ca) (resid  2 and name c)  1 -120.0 30.0 2
                assign (resid  3 and name c) (resid  4 and name  n)
                  (resid  4 and name ca) (resid  4 and name c)  1 -120.0 30.0 2
                assign (resid  4 and name c) (resid  5 and name  n)
                  (resid  5 and name ca) (resid  5 and name c)  1 -120.0 40.0 2
                assign (resid  5 and name c) (resid  6 and name  n)
                  (resid  6 and name ca) (resid  6 and name c)  1 -120.0 50.0 2
                assign (resid 11 and name c) (resid 12 and name  n)
                  (resid 12 and name ca) (resid 12 and name c)  1 -120.0 30.0 2
                assign (resid 16 and name c) (resid 17 and name  n)
                  (resid 17 and name ca) (resid 17 and name c)  1 -120.0 30.0 2
                assign (resid 18 and name c) (resid 19 and name  n)
                  (resid 19 and name ca) (resid 19 and name c)  1 -120.0 30.0 2
                assign (resid 20 and name c) (resid 21 and name  n)
                  (resid 21 and name ca) (resid 21 and name c)  1 -120.0 30.0 2
                assign (resid 22 and name c) (resid 23 and name  n)
                  (resid 23 and name ca) (resid 23 and name c)  1 -120.0 30.0 2
                assign (resid 23 and name c) (resid 24 and name  n)
                  (resid 24 and name ca) (resid 24 and name c)  1 -120.0 30.0 2
                assign (resid 24 and name c) (resid 25 and name  n)
                  (resid 25 and name ca) (resid 25 and name c)  1 -120.0 30.0 2
                assign (resid 32 and name c) (resid 33 and name  n)
                  (resid 33 and name ca) (resid 33 and name c)  1 -120.0 30.0 2
                assign (resid 33 and name c) (resid 34 and name  n)
                  (resid 34 and name ca) (resid 34 and name c)  1 -120.0 30.0 2
                assign (resid 35 and name c) (resid 36 and name  n)
                  (resid 36 and name ca) (resid 36 and name c)  1 -120.0 30.0 2
                assign (resid 36 and name c) (resid 37 and name  n)
                  (resid 37 and name ca) (resid 37 and name c)  1 -120.0 30.0 2
                assign (resid 38 and name c) (resid 39 and name  n)
                  (resid 39 and name ca) (resid 39 and name c)  1 -120.0 30.0 2
                assign (resid 41 and name c) (resid 42 and name  n)
                  (resid 42 and name ca) (resid 42 and name c)  1 -60.0 30.0 2
                assign (resid 45 and name c) (resid 46 and name  n)
                  (resid 46 and name ca) (resid 46 and name c)  1 -120.0 30.0 2
                assign (resid 46 and name c) (resid 47 and name  n)
                  (resid 47 and name ca) (resid 47 and name c)  1 -120.0 30.0 2
                assign (resid 47 and name c) (resid 48 and name  n)
                  (resid 48 and name ca) (resid 48 and name c)  1 -120.0 30.0 2
                assign (resid 48 and name c) (resid 49 and name  n)
                  (resid 49 and name ca) (resid 49 and name c)  1 -120.0 40.0 2

!chi angles
                assign (resid  5 and name n) (resid  5 and name  ca)
                  (resid  5 and name cb) (resid  5 and name cg)  1 180.0 40.0 2
                assign (resid 23 and name n) (resid 23 and name  ca)
                  (resid 23 and name cb) (resid 23 and name cg)  1 -60.0 40.0 2
                assign (resid 24 and name n) (resid 24 and name  ca)
                  (resid 24 and name cb) (resid 24 and name cg)  1 -60.0 40.0 2
                assign (resid 25 and name n) (resid 25 and name  ca)
                  (resid 25 and name cb) (resid 25 and name cg)  1 -60.0 40.0 2
                assign (resid 27 and name n) (resid 27 and name  ca)
                  (resid 27 and name cb) (resid 27 and name og)  1 60.0 40.0 2
                assign (resid 36 and name n) (resid 36 and name  ca)
                  (resid 36 and name cb) (resid 36 and name sg)  1 60.0 40.0 2
                assign (resid 49 and name n) (resid 49 and name  ca)
                  (resid 49 and name cb) (resid 49 and name cg)  1 -60.0 40.0 2

!keep G40-P41 in cis conformation
                assign (resid 40 and name ca) (resid 40 and name c)
                  (resid 41 and name n) (resid 41 and name ca)   1   0.0  5.0 2


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