NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type subtype subsubtype
8519 1mdi cing 1-original 2 XPLOR/CNS distance hydrogen bond simple 

!HUMAN TRX HYDROGEN BOND DISTANCE CONSTRAINTS
assign (resid    3 and   name O    )(resid   56 and   name N    ) 2.8 0.4 0.7
assign (resid    3 and   name O    )(resid   56 and   name HN   ) 1.8 0.3 0.7
assign (resid   57 and   name O    )(resid   28 and   name N    ) 2.8 0.4 1.0
assign (resid   57 and   name O    )(resid   28 and   name HN   ) 1.8 0.3 1.0
assign (resid   55 and  name O    )(resid   26 and  name N    ) 2.8 0.4 0.7
assign (resid   55 and  name O    )(resid   26 and  name HN   ) 1.8 0.3 0.7
assign (resid   53 and  name O    )(resid   24 and  name N    ) 2.8 0.4 0.7
assign (resid   53 and  name O    )(resid   24 and  name HN   ) 1.8 0.3 0.7
assign (resid   80 and  name O    )(resid   23 and  name N    ) 2.8 0.4 0.8
assign (resid   80 and  name O    )(resid   23 and  name HN   ) 1.8 0.3 0.8
assign (resid   23 and  name O    )(resid   80 and  name N    ) 2.8 0.4 0.7
assign (resid   23 and  name O    )(resid   80 and  name HN   ) 1.8 0.3 0.7
assign (resid   25 and  name O    )(resid   78 and  name N    ) 2.8 0.4 0.7
assign (resid   25 and  name O    )(resid   78 and  name HN   ) 1.8 0.3 0.7
assign (resid   78 and  name O    )(resid   25 and  name N    ) 2.8 0.4 0.7
assign (resid   78 and  name O    )(resid   25 and  name HN   ) 1.8 0.3 0.7
assign (resid   76 and  name O    )(resid   27 and  name N    ) 2.8 0.4 0.7
assign (resid   76 and  name O    )(resid   27 and  name HN   ) 1.8 0.3 0.7
assign (resid   27 and  name O    )(resid   76 and  name N    ) 2.8 0.4 0.7
assign (resid   27 and  name O    )(resid   76 and  name HN   ) 1.8 0.3 0.7
assign (resid   81 and  name O    )(resid   84 and  name N    ) 2.8 0.4 0.7
assign (resid   81 and  name O    )(resid   84 and  name HN   ) 1.8 0.3 0.7
assign (resid   84 and  name O    )(resid   81 and  name N    ) 2.8 0.4 0.7
assign (resid   84 and  name O    )(resid   81 and  name HN   ) 1.8 0.3 0.7
assign (resid   87 and  name O    )(resid   79 and  name N    ) 2.8 0.4 0.7
assign (resid   87 and  name O    )(resid   79 and  name HN   ) 1.8 0.3 0.7
assign (resid   79 and  name O    )(resid   86 and  name N    ) 2.8 0.4 0.7
assign (resid   79 and  name O    )(resid   86 and  name HN   ) 1.8 0.3 0.7
assign (resid   10 and  name O    )(resid   14 and  name N    ) 2.8 0.4 0.7
assign (resid   10 and  name O    )(resid   14 and  name HN   ) 1.8 0.3 0.7
assign (resid   96 and  name O    )(resid  100 and  name N    ) 2.8 0.4 0.7
assign (resid   96 and  name O    )(resid  100 and  name HN   ) 1.8 0.3 0.7
assign (resid   98 and  name O    )(resid  102 and  name N    ) 2.8 0.4 0.7
assign (resid   98 and  name O    )(resid  102 and  name HN   ) 1.8 0.3 0.7
!bound water
!W1
assign (resid 82 and name hn) (resid 201 and name oh2) 2.0 1.0 0.3
assign (resid 82 and name n) (resid 201 and name oh2) 3.3 1.2 0.2
assign (resid 82 and name hn) (resid 201 and name h#) 2.5 1.0 0.5
assign (resid 19 and name o) (resid 201 and name oh2) 3.0 1.0 0.3
assign (resid 19 and name o) (resid 201 and name h1) 2.0 1.0 0.3
assign (resid 83 and name hn) (resid 201 and name h#) 3.0 1.2 0.5
assign (resid 18 and name hb#) (resid 201 and name h#) 3.5 1.2 0.5
assign (resid 23 and name hg2#) (resid 201 and name h#) 3.5 1.2 0.5

!W2
assign (resid 58 and name hn) (resid 202 and name oh2) 2.0 1.0 0.3
assign (resid 58 and name n) (resid 202 and name oh2) 3.0 1.0 0.3
assign (resid 58 and name hn) (resid 202 and name h#) 2.5 0.7 0.5
assign (resid 5 and name o) (resid 202 and name oh2) 3.0 1.0 0.3
assign (resid 5 and name o) (resid 202 and name h1) 2.0 1.0 0.3
assign (resid 62 and name hb#) (resid 202 and name h#) 3.5 1.2 0.5

!W3
assign (resid 60 and name hn) (resid 203 and name oh2) 2.0 1.0 0.3
assign (resid 60 and name n) (resid 203 and name oh2) 3.0 1.0 0.3
assign (resid 60 and name hn) (resid 203 and name h#) 3.0 1.2 0.5
assign (resid 58 and name od#) (resid 203 and name oh2) 2.5 1.0 0.5
assign (resid 58 and name od#) (resid 203 and name h1)  2.0 1.0 0.5
assign (resid 60 and name hb2) (resid 203 and name h#) 3.5 1.2 0.5
assign (resid 59 and name hg2#) (resid 203 and name h#) 3.0 1.0 0.3
assign (resid 59 and name hb) (resid 203 and name h#) 4.0 2.2 1.0


!W4
assign (resid 21 and name hn) (resid 204 and name oh2) 2.0 1.0 0.3
assign (resid 21 and name n) (resid 204 and name oh2) 3.3 1.2 0.2
assign (resid 21 and name hn) (resid 204 and name h#) 2.5 1.0 0.5
assign (resid 18 and name o) (resid 204 and name oh2) 3.0 1.0 0.3
assign (resid 18 and name o) (resid 204 and name h1) 2.0 1.0 0.3
assign (resid 18 and name hb#) (resid 204 and name h#) 3.5 1.2 0.5
assign (resid 23 and name hg2#) (resid 204 and name h#) 3.5 1.2 0.5
assign (resid 204 and name oh2) (resid 201 and name oh2) 3.3 1.2 0.4


!W5
assign (resid 19 and name hn) (resid 205 and name oh2) 2.0 1.0 0.3
assign (resid 19 and name n) (resid 205 and name oh2) 3.3 1.2 0.2
assign (resid 19 and name hn) (resid 205 and name h#) 2.5 1.0 0.5
assign (resid 15 and name o) (resid 205 and name oh2) 3.0 1.0 0.3
assign (resid 15 and name o) (resid 205 and name h1) 2.0 1.0 0.3
assign (resid 16 and name o) (resid 205 and name oh2) 3.0 1.0 0.3
assign (resid 16 and name o) (resid 205 and name h2) 2.0 1.0 0.3
assign (resid 205 and name oh2) (resid 201 and name oh2) 3.3 1.2 0.4

!W6
assign (resid 22 and name hn) (resid 206 and name oh2) 2.0 1.0 0.3
assign (resid 22 and name n) (resid 206 and name oh2) 3.3 1.2 0.2
assign (resid 22 and name hn) (resid 206 and name h#) 2.5 1.0 0.5
assign (resid 51 and name o) (resid 206 and name oh2) 3.0 1.0 0.3
assign (resid 51 and name o) (resid 206 and name h1) 2.0 1.0 0.3
assign (resid 53 and name hd#) (resid 206 and name h#) 4.0 1.2 1.5

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