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 subtype subsubtype
10594 1q10 5875 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple



!INTRAMOLECULAR H-BONDS
!unit A
assign (segid A and resid  22 and name o ) (segid A and resid  26 and name hn )  2.3 0.8 0.2
assign (segid A and resid  22 and name o ) (segid A and resid  26 and name n )  3.3 0.8 0.2
assign (segid A and resid  23 and name o ) (segid A and resid  27 and name hn )  2.3 0.8 0.2
assign (segid A and resid  23 and name o ) (segid A and resid  27 and name n )  3.3 0.8 0.2
assign (segid A and resid  24 and name o ) (segid A and resid  28 and name hn )  2.3 0.8 0.2
assign (segid A and resid  24 and name o ) (segid A and resid  28 and name n )  3.3 0.8 0.2
assign (segid A and resid  25 and name o ) (segid A and resid  29 and name hn )  2.3 0.8 0.2
assign (segid A and resid  25 and name o ) (segid A and resid  29 and name n )  3.3 0.8 0.2
assign (segid A and resid  26 and name o ) (segid A and resid  30 and name hn )  2.3 0.8 0.2
assign (segid A and resid  26 and name o ) (segid A and resid  30 and name n )  3.3 0.8 0.2 
assign (segid A and resid  27 and name o ) (segid A and resid  31 and name hn )  2.3 0.8 0.2
assign (segid A and resid  27 and name o ) (segid A and resid  31 and name n )  3.3 0.8 0.2
assign (segid A and resid  28 and name o ) (segid A and resid  32 and name hn )  2.3 0.8 0.2
assign (segid A and resid  28 and name o ) (segid A and resid  32 and name n )  3.3 0.8 0.2
assign (segid A and resid  29 and name o ) (segid A and resid  33 and name hn )  2.3 0.8 0.2
assign (segid A and resid  29 and name o ) (segid A and resid  33 and name n )  3.3 0.8 0.2
assign (segid A and resid  30 and name o ) (segid A and resid  34 and name hn )  2.3 0.8 0.2
assign (segid A and resid  30 and name o ) (segid A and resid  34 and name n )  3.3 0.8 0.2
assign (segid A and resid  31 and name o ) (segid A and resid  35 and name hn )  2.3 0.8 0.2
assign (segid A and resid  31 and name o ) (segid A and resid  35 and name n )  3.3 0.8 0.2
assign (segid A and resid  32 and name o ) (segid A and resid  36 and name hn )  2.3 0.8 0.2
assign (segid A and resid  32 and name o ) (segid A and resid  36 and name n )  3.3 0.8 0.2

assign (segid A and resid  20 and name hn ) (segid A and resid   1 and name o )  2.3 0.8 0.2
assign (segid A and resid  20 and name n ) (segid A and resid   1 and name o )  3.3 0.8 0.2
assign (segid A and resid   3 and name hn ) (segid A and resid  18 and name o )  2.3 0.8 0.2
assign (segid A and resid   3 and name n ) (segid A and resid  18 and name o )  3.3 0.8 0.2
assign (segid A and resid  18 and name hn ) (segid A and resid   3 and name o )  2.3 0.8 0.2
assign (segid A and resid  18 and name n ) (segid A and resid   3 and name o )  3.3 0.8 0.2
assign (segid A and resid   5 and name hn ) (segid A and resid  16 and name o )  2.3 0.8 0.2
assign (segid A and resid   5 and name n ) (segid A and resid  16 and name o )  3.3 0.8 0.2
assign (segid A and resid  16 and name hn ) (segid A and resid   5 and name o )  2.3 0.8 0.2
assign (segid A and resid  16 and name n ) (segid A and resid   5 and name o )  3.3 0.8 0.2
assign (segid A and resid   7 and name hn ) (segid A and resid  14 and name o )  2.3 0.8 0.2
assign (segid A and resid   7 and name n ) (segid A and resid  14 and name o )  3.3 0.8 0.2
assign (segid A and resid  14 and name hn ) (segid A and resid   7 and name o )  2.3 0.8 0.2
assign (segid A and resid  14 and name n ) (segid A and resid   7 and name o )  3.3 0.8 0.2
assign (segid A and resid   9 and name hn ) (segid A and resid  12 and name o )  2.3 0.8 0.2
assign (segid A and resid   9 and name n ) (segid A and resid  12 and name o )  3.3 0.8 0.2

assign (segid A and resid  50 and name hn ) (segid A and resid  47 and name o )  2.3 0.8 0.2     
assign (segid A and resid  50 and name n ) (segid A and resid  47 and name o )  3.3 0.8 0.2      
assign (segid A and resid  51 and name hn ) (segid A and resid  46 and name o )  2.3 0.8 0.2
assign (segid A and resid  51 and name n ) (segid A and resid  46 and name o )  3.3 0.8 0.2
assign (segid A and resid  46 and name hn ) (segid A and resid  51 and name o )  2.3 0.8 0.2
assign (segid A and resid  46 and name n ) (segid A and resid  51 and name o )  3.3 0.8 0.2
assign (segid A and resid  53 and name hn ) (segid A and resid  44 and name o )  2.3 0.8 0.2
assign (segid A and resid  53 and name n ) (segid A and resid  44 and name o )  3.3 0.8 0.2
assign (segid A and resid  44 and name hn ) (segid A and resid  53 and name o )  2.3 0.8 0.2
assign (segid A and resid  44 and name n ) (segid A and resid  53 and name o )  3.3 0.8 0.2
assign (segid A and resid  55 and name hn ) (segid A and resid  42 and name o )  2.3 0.8 0.2
assign (segid A and resid  55 and name n ) (segid A and resid  42 and name o )  3.3 0.8 0.2

assign (segid A and resid  22 and name OD#)(segid A and resid  25 and name N) 3.3 0.8 0.2
assign (segid A and resid  22 and name OD#)(segid A and resid  25 and name HN) 2.3 0.8 0.2
assign (segid A and resid  43 and name NE1)(segid A and resid  37 and name O ) 3.3 0.8 0.2     
assign (segid A and resid  43 and name HE1)(segid A and resid  37 and name O ) 2.3 0.8 0.2     

!unit B
assign (segid B and resid  22 and name o ) (segid B and resid  26 and name hn )  2.3 0.8 0.2
assign (segid B and resid  22 and name o ) (segid B and resid  26 and name n )  3.3 0.8 0.2
assign (segid B and resid  23 and name o ) (segid B and resid  27 and name hn )  2.3 0.8 0.2
assign (segid B and resid  23 and name o ) (segid B and resid  27 and name n )  3.3 0.8 0.2
assign (segid B and resid  24 and name o ) (segid B and resid  28 and name hn )  2.3 0.8 0.2
assign (segid B and resid  24 and name o ) (segid B and resid  28 and name n )  3.3 0.8 0.2
assign (segid B and resid  25 and name o ) (segid B and resid  29 and name hn )  2.3 0.8 0.2
assign (segid B and resid  25 and name o ) (segid B and resid  29 and name n )  3.3 0.8 0.2
assign (segid B and resid  26 and name o ) (segid B and resid  30 and name hn )  2.3 0.8 0.2
assign (segid B and resid  26 and name o ) (segid B and resid  30 and name n )  3.3 0.8 0.2 
assign (segid B and resid  27 and name o ) (segid B and resid  31 and name hn )  2.3 0.8 0.2
assign (segid B and resid  27 and name o ) (segid B and resid  31 and name n )  3.3 0.8 0.2
assign (segid B and resid  28 and name o ) (segid B and resid  32 and name hn )  2.3 0.8 0.2
assign (segid B and resid  28 and name o ) (segid B and resid  32 and name n )  3.3 0.8 0.2
assign (segid B and resid  29 and name o ) (segid B and resid  33 and name hn )  2.3 0.8 0.2
assign (segid B and resid  29 and name o ) (segid B and resid  33 and name n )  3.3 0.8 0.2
assign (segid B and resid  30 and name o ) (segid B and resid  34 and name hn )  2.3 0.8 0.2
assign (segid B and resid  30 and name o ) (segid B and resid  34 and name n )  3.3 0.8 0.2
assign (segid B and resid  31 and name o ) (segid B and resid  35 and name hn )  2.3 0.8 0.2
assign (segid B and resid  31 and name o ) (segid B and resid  35 and name n )  3.3 0.8 0.2
assign (segid B and resid  32 and name o ) (segid B and resid  36 and name hn )  2.3 0.8 0.2
assign (segid B and resid  32 and name o ) (segid B and resid  36 and name n )  3.3 0.8 0.2

assign (segid B and resid  20 and name hn ) (segid B and resid   1 and name o )  2.3 0.8 0.2
assign (segid B and resid  20 and name n ) (segid B and resid   1 and name o )  3.3 0.8 0.2
assign (segid B and resid   3 and name hn ) (segid B and resid  18 and name o )  2.3 0.8 0.2
assign (segid B and resid   3 and name n ) (segid B and resid  18 and name o )  3.3 0.8 0.2
assign (segid B and resid  18 and name hn ) (segid B and resid   3 and name o )  2.3 0.8 0.2
assign (segid B and resid  18 and name n ) (segid B and resid   3 and name o )  3.3 0.8 0.2
assign (segid B and resid   5 and name hn ) (segid B and resid  16 and name o )  2.3 0.8 0.2
assign (segid B and resid   5 and name n ) (segid B and resid  16 and name o )  3.3 0.8 0.2
assign (segid B and resid  16 and name hn ) (segid B and resid   5 and name o )  2.3 0.8 0.2
assign (segid B and resid  16 and name n ) (segid B and resid   5 and name o )  3.3 0.8 0.2
assign (segid B and resid   7 and name hn ) (segid B and resid  14 and name o )  2.3 0.8 0.2
assign (segid B and resid   7 and name n ) (segid B and resid  14 and name o )  3.3 0.8 0.2
assign (segid B and resid  14 and name hn ) (segid B and resid   7 and name o )  2.3 0.8 0.2
assign (segid B and resid  14 and name n ) (segid B and resid   7 and name o )  3.3 0.8 0.2
assign (segid B and resid   9 and name hn ) (segid B and resid  12 and name o )  2.3 0.8 0.2
assign (segid B and resid   9 and name n ) (segid B and resid  12 and name o )  3.3 0.8 0.2

assign (segid B and resid  50 and name hn ) (segid B and resid  47 and name o )  2.3 0.8 0.2     
assign (segid B and resid  50 and name n ) (segid B and resid  47 and name o )  3.3 0.8 0.2     
assign (segid B and resid  51 and name hn ) (segid B and resid  46 and name o )  2.3 0.8 0.2
assign (segid B and resid  51 and name n ) (segid B and resid  46 and name o )  3.3 0.8 0.2
assign (segid B and resid  46 and name hn ) (segid B and resid  51 and name o )  2.3 0.8 0.2
assign (segid B and resid  46 and name n ) (segid B and resid  51 and name o )  3.3 0.8 0.2
assign (segid B and resid  53 and name hn ) (segid B and resid  44 and name o )  2.3 0.8 0.2
assign (segid B and resid  53 and name n ) (segid B and resid  44 and name o )  3.3 0.8 0.2
assign (segid B and resid  44 and name hn ) (segid B and resid  53 and name o )  2.3 0.8 0.2
assign (segid B and resid  44 and name n ) (segid B and resid  53 and name o )  3.3 0.8 0.2
assign (segid B and resid  55 and name hn ) (segid B and resid  42 and name o )  2.3 0.8 0.2
assign (segid B and resid  55 and name n ) (segid B and resid  42 and name o )  3.3 0.8 0.2

assign (segid B and resid  22 and name OD#)(segid B and resid  25 and name N) 3.3 0.8 0.2
assign (segid B and resid  22 and name OD#)(segid B and resid  25 and name HN) 2.3 0.8 0.2
assign (segid B and resid  43 and name NE1)(segid B and resid  37 and name O ) 3.3 0.8 0.2     
assign (segid B and resid  43 and name HE1)(segid B and resid  37 and name O ) 2.3 0.8 0.2     

assign (segid A and resid   4 and name hn ) (segid B and resid  50 and name o )  2.3 0.8 0.2
assign (segid B and resid   4 and name hn ) (segid A and resid  50 and name o )  2.3 0.8 0.2
assign (segid A and resid   4 and name n ) (segid B and resid  50 and name o )  3.3 0.8 0.2
assign (segid B and resid   4 and name n ) (segid A and resid  50 and name o )  3.3 0.8 0.2
assign (segid A and resid  52 and name hn ) (segid B and resid   4 and name o )  2.3 0.8 0.2
assign (segid B and resid  52 and name hn ) (segid A and resid   4 and name o )  2.3 0.8 0.2
assign (segid A and resid  52 and name n ) (segid B and resid   4 and name o )  3.3 0.8 0.2
assign (segid B and resid  52 and name n ) (segid A and resid   4 and name o )  3.3 0.8 0.2
assign (segid A and resid   6 and name hn ) (segid B and resid  52 and name o )  2.3 0.8 0.2
assign (segid B and resid   6 and name hn ) (segid A and resid  52 and name o )  2.3 0.8 0.2
assign (segid A and resid   6 and name n ) (segid B and resid  52 and name o )  3.3 0.8 0.2
assign (segid B and resid   6 and name n ) (segid A and resid  52 and name o )  3.3 0.8 0.2
assign (segid A and resid  54 and name hn ) (segid B and resid   6 and name o )  2.3 0.8 0.2
assign (segid B and resid  54 and name hn ) (segid A and resid   6 and name o )  2.3 0.8 0.2
assign (segid A and resid  54 and name n ) (segid B and resid   6 and name o )  3.3 0.8 0.2
assign (segid B and resid  54 and name n ) (segid A and resid   6 and name o )  3.3 0.8 0.2
assign (segid A and resid   8 and name hn ) (segid B and resid  54 and name o )  2.3 0.8 0.2
assign (segid B and resid   8 and name hn ) (segid A and resid  54 and name o )  2.3 0.8 0.2
assign (segid A and resid   8 and name n ) (segid B and resid  54 and name o )  3.3 0.8 0.2
assign (segid B and resid   8 and name n ) (segid A and resid  54 and name o )  3.3 0.8 0.2
assign (segid A and resid  56 and name hn ) (segid B and resid   8 and name o )  2.3 0.8 0.2
assign (segid B and resid  56 and name hn ) (segid A and resid   8 and name o )  2.3 0.8 0.2
assign (segid A and resid  56 and name n ) (segid B and resid   8 and name o )  3.3 0.8 0.2
assign (segid B and resid  56 and name n ) (segid A and resid   8 and name o )  3.3 0.8 0.2

!INTERMOLECULAR H-BONDS
assign (segid A and resid  13 and name hn ) (segid B and resid  17 and name o )  2.3 0.8 0.2
assign (segid B and resid  13 and name hn ) (segid A and resid  17 and name o )  2.3 0.8 0.2
assign (segid A and resid  13 and name n ) (segid B and resid  17 and name o )  3.3 0.8 0.2
assign (segid B and resid  13 and name n ) (segid A and resid  17 and name o )  3.3 0.8 0.2
assign (segid A and resid  17 and name hn ) (segid B and resid  13 and name o )  2.3 0.8 0.2
assign (segid B and resid  17 and name hn ) (segid A and resid  13 and name o )  2.3 0.8 0.2
assign (segid A and resid  17 and name n ) (segid B and resid  13 and name o )  3.3 0.8 0.2
assign (segid B and resid  17 and name n ) (segid A and resid  13 and name o )  3.3 0.8 0.2
assign (segid A and resid  15 and name hn ) (segid B and resid  15 and name o )  2.3 0.8 0.2
assign (segid B and resid  15 and name hn ) (segid A and resid  15 and name o )  2.3 0.8 0.2
assign (segid A and resid  15 and name n ) (segid B and resid  15 and name o )  3.3 0.8 0.2
assign (segid B and resid  15 and name n ) (segid A and resid  15 and name o )  3.3 0.8 0.2



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