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

26255 2kgp cing 1-original 3 XPLOR/CNS distance hydrogen bond simple

! not slow exchange peak for A10-U17, first time still add A10-U17
{there is U+11}
  ! for A10/ U17 base pair
  assign (resid 10 and name N1)  (resid 17 and name N3)    2.73 0.2 0.2
  assign (resid 10 and name N6)  (resid 17 and name O4)    2.92 0.2 0.2
  assign (resid 10 and name N1)  (resid 17 and name H3)    1.73 0.2 0.2
  assign (resid 10 and name HN') (resid 17 and name O4)    1.92 0.2 0.2
  assign (resid 10 and name H2)  (resid 17 and name O2)    2.94 0.2 0.2
  assign (resid 10 and name N1)  (resid 17 and name O4)    3.69 0.2 0.2 
  assign (resid 10 and name N1)  (resid 17 and name O2)    3.67 0.2 0.2
{came from DNA A-T restrains}
  ! for G9/ C18  base pair
  assign (resid 9 and name N1)  (resid 18 and name N3)    2.95 0.2 0.2
  assign (resid 9 and name O6)  (resid 18 and name N4)    2.91 0.2 0.2
  assign (resid 9 and name N2)  (resid 18 and name O2)    2.86 0.2 0.2
  assign (resid 9 and name H1)  (resid 18 and name N3)    1.95 0.2 0.2
  assign (resid 9 and name O6)  (resid 18 and name HN')   1.91 0.2 0.2
  assign (resid 9 and name HN') (resid 18 and name O2)    1.86 0.2 0.2
  ! for U8/ A19 base pair
  assign (resid 8 and name N3)  (resid 19 and name N1)    2.73 0.2 0.2
  assign (resid 8 and name O4)  (resid 19 and name N6)    2.92 0.2 0.2
  assign (resid 8 and name H3)  (resid 19 and name N1)    1.73 0.2 0.2
  assign (resid 8 and name O4)  (resid 19 and name HN')   1.92 0.2 0.2
  assign (resid 19 and name H2)  (resid 8 and name O2)    2.94 0.2 0.2
 {H2 added, came from DNA A-T}
  ! for G7/ C20  base pair
  assign (resid 7 and name N1)  (resid 20 and name N3)    2.95 0.2 0.2
  assign (resid 7 and name O6)  (resid 20 and name N4)    2.91 0.2 0.2
  assign (resid 7 and name N2)  (resid 20 and name O2)    2.86 0.2 0.2
  assign (resid 7 and name H1)  (resid 20 and name N3)    1.95 0.2 0.2
  assign (resid 7 and name O6)  (resid 20 and name HN')   1.91 0.2 0.2
  assign (resid 7 and name HN') (resid 20 and name O2)    1.86 0.2 0.2
  ! for U6/ A21 base pair
  assign (resid 6 and name N3)  (resid 21 and name N1)    2.73 0.2 0.2
  assign (resid 6 and name O4)  (resid 21 and name N6)    2.92 0.2 0.2
  assign (resid 6 and name H3)  (resid 21 and name N1)    1.73 0.2 0.2
  assign (resid 6 and name O4)  (resid 21 and name HN')   1.92 0.2 0.2
  assign (resid 21 and name H2)  (resid 6 and name O2)    2.94 0.2 0.2
{H2 added, came from DNA A-T}
  ! for G5/ C22  base pair
  assign (resid 5 and name N1)  (resid 22 and name N3)    2.95 0.2 0.2
  assign (resid 5 and name O6)  (resid 22 and name N4)    2.91 0.2 0.2
  assign (resid 5 and name N2)  (resid 22 and name O2)    2.86 0.2 0.2
  assign (resid 5 and name H1)  (resid 22 and name N3)    1.95 0.2 0.2
  assign (resid 5 and name O6)  (resid 22 and name HN')   1.91 0.2 0.2
  assign (resid 5 and name HN') (resid 22 and name O2)    1.86 0.2 0.2
  ! for C3/ G23  base pair
  assign (resid 3 and name N3)  (resid 23 and name N1)    2.95 0.2 0.2
  assign (resid 3 and name N4)  (resid 23 and name O6)    2.91 0.2 0.2
  assign (resid 3 and name O2)  (resid 23 and name N2)    2.86 0.2 0.2
  assign (resid 3 and name N3)  (resid 23 and name H1)    1.95 0.2 0.2
  assign (resid 3 and name HN') (resid 23 and name O6)    1.91 0.2 0.2
  assign (resid 3 and name O2)  (resid 23 and name HN')   1.86 0.2 0.2
  ! for G2/U24
  assign (resid 2 and name O6)  (resid 24 and name H3)    1.90 0.1 0.30
  assign (resid 2 and name O6)  (resid 24 and name N3)    3.00 0.28 0.08
  assign (resid 2 and name H1)  (resid 24 and name O2)    1.90 0.1 0.30
  assign (resid 2 and name N1)  (resid 24 and name O2)    3.00 0.28 0.08
  ! for G1/ C25  base pair
  assign (resid 1 and name N1)  (resid 25 and name N3)    2.95 0.2 0.2
  assign (resid 1 and name O6)  (resid 25 and name N4)    2.91 0.2 0.2
  assign (resid 1 and name N2)  (resid 25 and name O2)    2.86 0.2 0.2
  assign (resid 1 and name H1)  (resid 25 and name N3)    1.95 0.2 0.2
  assign (resid 1 and name O6)  (resid 25 and name HN')   1.91 0.2 0.2
  assign (resid 1 and name HN') (resid 25 and name O2)    1.86 0.2 0.2
restraints plane

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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	26255	2kgp	cing	1-original	3	XPLOR/CNS	distance	hydrogen bond	simple