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
594035 2mwj 25331 cing 1-original 3 XPLOR/CNS dihedral angle


BACKBONE DIHEDRAL ANGLES (XPLOR FORMAT) 

assign (resid       11      and name        c)      (resid  12      and name        ca)
(resid      12      and name        n)      (resid  12      and name        c)      1       120.0   20.0    2 
assign (resid       21      and name        c)      (resid  22      and name        ca)
(resid      22      and name        n)      (resid  22      and name        c)      1       120.0   40.0    2 
assign (resid       9       and name        c)      (resid  10      and name        ca)
(resid      10      and name        n)      (resid  10      and name        c)      1       120.0   40.0    2 
assign (resid       23      and name        c)      (resid  24      and name        ca)
(resid      24      and name        n)      (resid  24      and name        c)      1       120.0   20.0    2 
assign (resid       1       and name        c)      (resid  2       and name        ca)
(resid      2       and name        n)      (resid  2       and name        c)      1       120.0   20.0    2 
assign (resid       35      and name        c)      (resid  36      and name        ca)
(resid      36      and name        n)      (resid  36      and name        c)      1       120.0   20.0    2 
assign (resid       25      and name        c)      (resid  26      and name        ca)
(resid      26      and name        n)      (resid  26      and name        c)      1       120.0   20.0    2 
assign (resid       24      and name        c)      (resid  25      and name        ca)
(resid      25      and name        n)      (resid  25      and name        c)      1       120.0   40.0    2 
assign (resid       18      and name        c)      (resid  19      and name        ca)
(resid      19      and name        n)      (resid  19      and name        c)      1       120.0   40.0    2 
assign (resid       30      and name        c)      (resid  31      and name        ca)
(resid      31      and name        n)      (resid  31      and name        c)      1       120.0   20.0    2 
assign (resid       6       and name        c)      (resid  7       and name        ca)
(resid      7       and name        n)      (resid  7       and name        c)      1       120.0   20.0    2 
assign (resid       27      and name        c)      (resid  28      and name        ca)
(resid      28      and name        n)      (resid  28      and name        c)      1       120.0   20.0    2 
assign (resid       13      and name        c)      (resid  14      and name        ca)
(resid      14      and name        n)      (resid  14      and name        c)      1       120.0   20.0    2 
assign (resid       16      and name        c)      (resid  17      and name        ca)
(resid      17      and name        n)      (resid  17      and name        c)      1       120.0   20.0    2 
assign (resid       22      and name        c)      (resid  23      and name        ca)
(resid      23      and name        n)      (resid  23      and name        c)      1       120.0   20.0    2 
assign (resid       7       and name        c)      (resid  8       and name        ca)
(resid      8       and name        n)      (resid  8       and name        c)      1       120.0   20.0    2  
assign (resid       32      and name        c)      (resid  33      and name        ca)
(resid      33      and name        n)      (resid  33      and name        c)      1       120.0   20.0    2 
assign (resid       17      and name        c)      (resid  18      and name        ca)
(resid      18      and name        n)      (resid  18      and name        c)      1       120.0   20.0    2 
assign (resid       12      and name        c)      (resid  13      and name        ca)
(resid      13      and name        n)      (resid  13      and name        c)      1       120.0   40.0    2  
assign (resid       31      and name        c)      (resid  32      and name        ca)
(resid      32      and name        n)      (resid  32      and name        c)      1       120.0   40.0    2 
assign (resid       5       and name        c)      (resid  6       and name        ca)
(resid      6       and name        n)      (resid  6       and name        c)      1       120.0   40.0    2 
assign (resid       2       and name        c)      (resid  3       and name        ca)
(resid      3       and name        n)      (resid  3       and name        c)      1       120.0   40.0    2 

DIHEDRAL ANGLES TO RESTRAIN MANNOSE TO "CHARIR" CONFORMATION (XPLOR FORMAT)

assign (resid 1 and name c4) (resid 1 and name c5) (resid 1 and name c6) (resid 1 and name o6) 5 176.9 2 2
assign (resid 1 and name o5) (resid 1 and name c5) (resid 1 and name c4) (resid 1 and name c3) 5 -60.0 2 2
assign (resid 1 and name c1) (resid 1 and name o5) (resid 1 and name c5) (resid 1 and name c4) 5 54.9 2 2
assign (resid 1 and name c2) (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name o4) 5 180. 2 2
assign (resid 1 and name c2) (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name h4) 5 -60. 2 2
assign (resid 1 and name c5) (resid 1 and name c4) (resid 1 and name c3) (resid 1 and name c2) 5 60.0 2 2
assign (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name c5) (resid 1 and name c6) 5 180. 2 2
assign (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name c5) (resid 1 and name h5) 5  60. 2 2
assign (resid 1 and name c5) (resid 1 and name o5) (resid 1 and name c1) (resid 1 and name c2) 5 -60.0 2 2
assign (resid 1 and name c1) (resid 1 and name c2) (resid 1 and name c3) (resid 1 and name c4) 5 -60.0 2 2
assign (resid 1 and name o5) (resid 1 and name c1) (resid 1 and name c2) (resid 1 and name c3) 5 60.0 2 2
assign (resid 1 and name o5) (resid 1 and name c5) (resid 1 and name c6) (resid 1 and name o6) 5 60.0 2 2
assign (resid 1 and name cb) (resid 1 and name o1) (resid 1 and name c1) (resid 1 and name o5) 5 180 2 2
assign (resid 1 and name cb) (resid 1 and name o1) (resid 1 and name c1) (resid 1 and name h1) 5 60.0 2 2
assign (resid 1 and name cb) (resid 1 and name o1) (resid 1 and name c1) (resid 1 and name c2) 5 -60.0 2 2
assign (resid 1 and name h1) (resid 1 and name c1) (resid 1 and name o5) (resid 1 and name c5) 5 180.0 2 2
assign (resid 1       and name  c4)     (resid  1 and name c3) (resid 1 and name c2) (resid  1 and name o2)     5 60.0    2       2
assign (resid 1       and name  c4)     (resid  1 and name c3) (resid 1 and name c2) (resid  1 and name h2)     5 180.0   2       2
assign (resid 3 and name c4) (resid 3 and name c5) (resid 3 and name c6) (resid 3 and name o6) 5 175 2 2
assign (resid 3 and name c1) (resid 3 and name c2) (resid 3 and name c3) (resid 3 and name c4) 5 -61.7 2 2
assign (resid 3 and name h1) (resid 3 and name c1) (resid 3 and name c2) (resid 3 and name c3) 5 178.0 2 2
assign (resid 3 and name c1) (resid 3 and name o5) (resid 3 and name c5) (resid 3 and name c4) 5 54.9 2 2
assign (resid 3 and name c5) (resid 3 and name c4) (resid 3 and name c3) (resid 3 and name c2) 5 58.21 2 2
assign (resid 3 and name c5) (resid 3 and name o5) (resid 3 and name c1) (resid 3 and name c2) 5 -61.7 2 2
assign (resid 3 and name o5) (resid 3 and name c1) (resid 3 and name c2) (resid 3 and name c3) 5 60.0 2 2
assign (resid 3       and name  c4)     (resid  3 and name c3) (resid 3 and name c2) (resid  3 and name o2)     5 60.0    2       2
assign (resid 3       and name  c4)     (resid  3 and name c3) (resid 3 and name c2) (resid  3 and name h2)     5 180.0   2       2
assign (resid 3       and name  c1)     (resid  3 and name c2) (resid 3 and name c3) (resid  3 and name h3)     5 60.0    2       2
assign (resid 3       and name  c1)     (resid  3 and name c2) (resid 3 and name c3) (resid  3 and name o3)     5 180.0   2       2
assign (resid 3 and name c2) (resid 3 and name c3) (resid 3 and name c4) (resid 3 and name o4) 5 180. 2 2
assign (resid 3 and name c2) (resid 3 and name c3) (resid 3 and name c4) (resid 3 and name h4) 5 -60. 2 2
assign (resid 3 and name c3) (resid 3 and name c4) (resid 3 and name c5) (resid 3 and name h5) 5  60. 2       2
assign (resid 3 and name cb) (resid 3 and name o1) (resid 3 and name c1) (resid 3 and name o5) 5 180. 2 2
assign (resid 3 and name cb) (resid 3 and name o1) (resid 3 and name c1) (resid 3 and name h1) 5 60.0 2 2
assign (resid 3 and name cb) (resid 3 and name o1) (resid 3 and name c1) (resid 3 and name c2) 5 -60.0 2 2
assign (resid 3 and name h1) (resid 3 and name c1) (resid 3 and name o5) (resid 3 and name c5) 5 180.0 2 2




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