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
25431 2k8s 15347 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


remarks HBOND RESTRAINTS

assign (segid A and resid  60 and name O    )(segid A and resid   6 and name N    )  2.70  0.00  0.60 
assign (segid A and resid  60 and name O    )(segid A and resid   6 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  34 and name O    )(segid A and resid   7 and name N    )  2.70  0.00  0.60
assign (segid A and resid  34 and name O    )(segid A and resid   7 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  58 and name O    )(segid A and resid   8 and name N    )  2.70  0.00  0.60
assign (segid A and resid  58 and name O    )(segid A and resid   8 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  36 and name O    )(segid A and resid   9 and name N    )  2.70  0.00  0.60
assign (segid A and resid  36 and name O    )(segid A and resid   9 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  15 and name O    )(segid A and resid  19 and name N    )  2.70  0.00  0.60
assign (segid A and resid  15 and name O    )(segid A and resid  19 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  16 and name O    )(segid A and resid  20 and name N    )  2.70  0.00  0.60
assign (segid A and resid  16 and name O    )(segid A and resid  20 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  17 and name O    )(segid A and resid  21 and name N    )  2.70  0.00  0.60
assign (segid A and resid  17 and name O    )(segid A and resid  21 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  18 and name O    )(segid A and resid  22 and name N    )  2.70  0.00  0.70
assign (segid A and resid  18 and name O    )(segid A and resid  22 and name HN   )  1.70  0.00  0.70
assign (segid A and resid  18 and name O    )(segid A and resid  23 and name N    )  2.70  0.00  0.70
assign (segid A and resid  18 and name O    )(segid A and resid  23 and name HN   )  1.70  0.00  0.70
assign (segid A and resid  19 and name O    )(segid A and resid  23 and name N    )  2.70  0.00  0.60
assign (segid A and resid  19 and name O    )(segid A and resid  23 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  21 and name O    )(segid A and resid  25 and name N    )  2.70  0.00  0.70
assign (segid A and resid  21 and name O    )(segid A and resid  25 and name HN   )  1.70  0.00  0.70
assign (segid A and resid  22 and name O    )(segid A and resid  26 and name N    )  2.70  0.00  0.70
assign (segid A and resid  22 and name O    )(segid A and resid  26 and name HN   )  1.70  0.00  0.70
assign (segid A and resid  27 and name O    )(segid A and resid  31 and name N    )  2.70  0.00  0.60
assign (segid A and resid  27 and name O    )(segid A and resid  31 and name HN   )  1.70  0.00  0.60
assign (segid A and resid   5 and name O    )(segid A and resid  34 and name N    )  2.70  0.00  0.60
assign (segid A and resid   5 and name O    )(segid A and resid  34 and name HN   )  1.70  0.00  0.60
assign (segid A and resid   7 and name O    )(segid A and resid  36 and name N    )  2.70  0.00  0.60
assign (segid A and resid   7 and name O    )(segid A and resid  36 and name HN   )  1.70  0.00  0.60
assign (segid A and resid   9 and name O    )(segid A and resid  38 and name N    )  2.70  0.00  0.60
assign (segid A and resid   9 and name O    )(segid A and resid  38 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  44 and name O    )(segid A and resid  48 and name N    )  2.70  0.00  0.60
assign (segid A and resid  44 and name O    )(segid A and resid  48 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  45 and name O    )(segid A and resid  49 and name N    )  2.70  0.00  0.60
assign (segid A and resid  45 and name O    )(segid A and resid  49 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  47 and name O    )(segid A and resid  51 and name N    )  2.70  0.00  0.60
assign (segid A and resid  47 and name O    )(segid A and resid  51 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  48 and name O    )(segid A and resid  53 and name N    )  2.70  0.00  0.60 
assign (segid A and resid  48 and name O    )(segid A and resid  53 and name HN   )  1.70  0.00  0.60 
assign (segid A and resid  72 and name O    )(segid A and resid  56 and name N    )  2.70  0.00  0.60
assign (segid A and resid  72 and name O    )(segid A and resid  56 and name HN   )  1.70  0.00  0.60
assign (segid A and resid   8 and name O    )(segid A and resid  58 and name N    )  2.70  0.00  0.60
assign (segid A and resid   8 and name O    )(segid A and resid  58 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  66 and name O    )(segid A and resid  59 and name N    )  2.70  0.00  0.60
assign (segid A and resid  66 and name O    )(segid A and resid  59 and name HN   )  1.70  0.00  0.60
assign (segid A and resid   6 and name O    )(segid A and resid  60 and name N    )  2.70  0.00  0.60
assign (segid A and resid   6 and name O    )(segid A and resid  60 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  64 and name O    )(segid A and resid  61 and name N    )  2.70  0.00  0.60
assign (segid A and resid  64 and name O    )(segid A and resid  61 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  61 and name O    )(segid A and resid  64 and name N    )  2.70  0.00  0.60
assign (segid A and resid  61 and name O    )(segid A and resid  64 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  59 and name O    )(segid A and resid  66 and name N    )  2.70  0.00  0.60
assign (segid A and resid  59 and name O    )(segid A and resid  66 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  57 and name O    )(segid A and resid  68 and name N    )  2.70  0.00  0.60
assign (segid A and resid  57 and name O    )(segid A and resid  68 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  56 and name O    )(segid A and resid  72 and name N    )  2.70  0.00  0.60
assign (segid A and resid  56 and name O    )(segid A and resid  72 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  54 and name O    )(segid A and resid  74 and name N    )  2.70  0.00  0.60
assign (segid A and resid  54 and name O    )(segid A and resid  74 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  60 and name O    )(segid B and resid   6 and name N    )  2.70  0.00  0.60 
assign (segid B and resid  60 and name O    )(segid B and resid   6 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  34 and name O    )(segid B and resid   7 and name N    )  2.70  0.00  0.60
assign (segid B and resid  34 and name O    )(segid B and resid   7 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  58 and name O    )(segid B and resid   8 and name N    )  2.70  0.00  0.60
assign (segid B and resid  58 and name O    )(segid B and resid   8 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  36 and name O    )(segid B and resid   9 and name N    )  2.70  0.00  0.60
assign (segid B and resid  36 and name O    )(segid B and resid   9 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  15 and name O    )(segid B and resid  19 and name N    )  2.70  0.00  0.60
assign (segid B and resid  15 and name O    )(segid B and resid  19 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  16 and name O    )(segid B and resid  20 and name N    )  2.70  0.00  0.60
assign (segid B and resid  16 and name O    )(segid B and resid  20 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  17 and name O    )(segid B and resid  21 and name N    )  2.70  0.00  0.60
assign (segid B and resid  17 and name O    )(segid B and resid  21 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  18 and name O    )(segid B and resid  22 and name N    )  2.70  0.00  0.70
assign (segid B and resid  18 and name O    )(segid B and resid  22 and name HN   )  1.70  0.00  0.70
assign (segid B and resid  18 and name O    )(segid B and resid  23 and name N    )  2.70  0.00  0.70
assign (segid B and resid  18 and name O    )(segid B and resid  23 and name HN   )  1.70  0.00  0.70
assign (segid B and resid  21 and name O    )(segid B and resid  25 and name N    )  2.70  0.00  0.70
assign (segid B and resid  21 and name O    )(segid B and resid  25 and name HN   )  1.70  0.00  0.70
assign (segid B and resid  22 and name O    )(segid B and resid  26 and name N    )  2.70  0.00  0.70
assign (segid B and resid  22 and name O    )(segid B and resid  26 and name HN   )  1.70  0.00  0.70
assign (segid B and resid  27 and name O    )(segid B and resid  31 and name N    )  2.70  0.00  0.60
assign (segid B and resid  27 and name O    )(segid B and resid  31 and name HN   )  1.70  0.00  0.60
assign (segid B and resid   5 and name O    )(segid B and resid  34 and name N    )  2.70  0.00  0.60
assign (segid B and resid   5 and name O    )(segid B and resid  34 and name HN   )  1.70  0.00  0.60
assign (segid B and resid   7 and name O    )(segid B and resid  36 and name N    )  2.70  0.00  0.60
assign (segid B and resid   7 and name O    )(segid B and resid  36 and name HN   )  1.70  0.00  0.60
assign (segid B and resid   9 and name O    )(segid B and resid  38 and name N    )  2.70  0.00  0.60
assign (segid B and resid   9 and name O    )(segid B and resid  38 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  44 and name O    )(segid B and resid  48 and name N    )  2.70  0.00  0.60
assign (segid B and resid  44 and name O    )(segid B and resid  48 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  45 and name O    )(segid B and resid  49 and name N    )  2.70  0.00  0.60
assign (segid B and resid  45 and name O    )(segid B and resid  49 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  47 and name O    )(segid B and resid  51 and name N    )  2.70  0.00  0.60
assign (segid B and resid  47 and name O    )(segid B and resid  51 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  48 and name O    )(segid B and resid  53 and name N    )  2.70  0.00  0.60 
assign (segid B and resid  48 and name O    )(segid B and resid  53 and name HN   )  1.70  0.00  0.60 
assign (segid B and resid  72 and name O    )(segid B and resid  56 and name N    )  2.70  0.00  0.60
assign (segid B and resid  72 and name O    )(segid B and resid  56 and name HN   )  1.70  0.00  0.60
assign (segid B and resid   8 and name O    )(segid B and resid  58 and name N    )  2.70  0.00  0.60
assign (segid B and resid   8 and name O    )(segid B and resid  58 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  66 and name O    )(segid B and resid  59 and name N    )  2.70  0.00  0.60
assign (segid B and resid  66 and name O    )(segid B and resid  59 and name HN   )  1.70  0.00  0.60
assign (segid B and resid   6 and name O    )(segid B and resid  60 and name N    )  2.70  0.00  0.60
assign (segid B and resid   6 and name O    )(segid B and resid  60 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  64 and name O    )(segid B and resid  61 and name N    )  2.70  0.00  0.60
assign (segid B and resid  64 and name O    )(segid B and resid  61 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  61 and name O    )(segid B and resid  64 and name N    )  2.70  0.00  0.60
assign (segid B and resid  61 and name O    )(segid B and resid  64 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  59 and name O    )(segid B and resid  66 and name N    )  2.70  0.00  0.60
assign (segid B and resid  59 and name O    )(segid B and resid  66 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  57 and name O    )(segid B and resid  68 and name N    )  2.70  0.00  0.60
assign (segid B and resid  57 and name O    )(segid B and resid  68 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  56 and name O    )(segid B and resid  72 and name N    )  2.70  0.00  0.60
assign (segid B and resid  56 and name O    )(segid B and resid  72 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  54 and name O    )(segid B and resid  74 and name N    )  2.70  0.00  0.60
assign (segid B and resid  54 and name O    )(segid B and resid  74 and name HN   )  1.70  0.00  0.60

remarks his side chain donors
assign (segid A and resid  67 and name NE2  )(segid A and resid  55 and name N    )  2.70  0.00  0.60
assign (segid A and resid  67 and name NE2  )(segid A and resid  55 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  67 and name NE2  )(segid B and resid  55 and name N    )  2.70  0.00  0.60
assign (segid B and resid  67 and name NE2  )(segid B and resid  55 and name HN   )  1.70  0.00  0.60

remarks intermolecular hbond restraints
assign (segid B and resid  69 and name OD1   )(segid A and resid  67 and name N    )  2.70  0.00  0.60
assign (segid B and resid  69 and name OD1   )(segid A and resid  67 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  69 and name OD1   )(segid B and resid  67 and name N    )  2.70  0.00  0.60
assign (segid A and resid  69 and name OD1   )(segid B and resid  67 and name HN   )  1.70  0.00  0.60
assign (segid B and resid  67 and name O    )(segid A and resid  69 and name N    )  2.70  0.00  0.60
assign (segid B and resid  67 and name O    )(segid A and resid  69 and name HN   )  1.70  0.00  0.60
assign (segid A and resid  67 and name O    )(segid B and resid  69 and name N    )  2.70  0.00  0.60
assign (segid A and resid  67 and name O    )(segid B and resid  69 and name HN   )  1.70  0.00  0.60







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