BMRB

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
594045 2mwk RC 25332 cing 1-original 3 XPLOR/CNS dihedral angle


BACKBONE DIHEDRAL ANGLES (XPLOR FORMAT) 

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 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     
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 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 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 8 and name c) (resid 9 and name ca)         
(resid 9 and name n) (resid 9 and name c) 1 120.0 40.0 2    
assign (resid 14 and name c) (resid 15 and name ca)         
(resid 15 and name n) (resid 15 and name c) 1 120.0 40.0 2    
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 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 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 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

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 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
assign (resid 14 and name c4) (resid 14 and name c5) (resid 14 and name c6) (resid 14 and name o6) 5 175 2 2
assign (resid 14 and name c1) (resid 14 and name c2) (resid 14 and name c3) (resid 14 and name c4) 5 -61.7 2 2
assign (resid 14 and name h1) (resid 14 and name c1) (resid 14 and name c2) (resid 14 and name c3) 5 178.0 2 2
assign (resid 14 and name c1) (resid 14 and name o5) (resid 14 and name c5) (resid 14 and name c4) 5 54.9 2 2
assign (resid 14 and name c5) (resid 14 and name c4) (resid 14 and name c3) (resid 14 and name c2) 5 58.21 2 2
assign (resid 14 and name c5) (resid 14 and name o5) (resid 14 and name c1) (resid 14 and name c2) 5 -61.7 2 2
assign (resid 14 and name o5) (resid 14 and name c1) (resid 14 and name c2) (resid 14 and name c3) 5 60.0 2 2
assign (resid 14      and name  c4)     (resid  14 and name c3) (resid 14 and name c2) (resid  14 and name o2)     5 60.0    2       2
assign (resid 14      and name  c4)     (resid  14 and name c3) (resid 14 and name c2) (resid  14 and name h2)     5 180.0   2       2
assign (resid 14       and name  c1)     (resid  14 and name c2) (resid 14 and name c3) (resid  14 and name h3)     5 60.0    2       2
assign (resid 14      and name  c1)     (resid  14 and name c2) (resid 14 and name c3) (resid  14 and name o3)     5 180.0   2       2
assign (resid 14 and name c2) (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name o4) 5 180. 2 2
assign (resid 14 and name c2) (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name h4) 5 -60. 2 2
assign (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name c5) (resid 14 and name h5) 5  60. 2       2
assign (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name c5) (resid 14 and name c6) 5  180. 2       2
assign (resid 14 and name cb) (resid 14 and name o1) (resid 14 and name c1) (resid 14 and name o5) 5 180. 2 2
assign (resid 14 and name cb) (resid 14 and name o1) (resid 14 and name c1) (resid 14 and name h1) 5 60.0 2 2
assign (resid 14 and name cb) (resid 14 and name o1) (resid 14 and name c1) (resid 14 and name c2) 5 -60.0 2 2