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

644239 6sx3 34435 cing 1-original 1 AMBER distance hydrogen bond simple

# Restraints file 1: Hbonds.txt
#H-bonds#
#
# 14 DC  H41  21 DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 666, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 14 DC  N3   21 DG  H1    1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 668, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 14 DC  O2   21 DG  H21   1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 671, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 22 DC  H41  13 DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 407, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 22 DC  N3   13 DG  H1    1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 409, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 22 DC  O2   13 DG  H21   1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 412, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 30 DC  H41   5 DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 148, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 30 DC  N3    5 DG  H1    1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 150, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 30 DC  O2    5 DG  H21   1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 153, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  6 DC  H41  29 DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 925, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  6 DC  N3   29 DG  H1    1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 927, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  6 DC  O2   29 DG  H21   1.8     2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 930, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 23 DG  H1  12 DA  N7    1.8     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 372, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 23 DG  O6  12 DA  H61   1.8     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 376, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  7 DG  H1  28 DA  N7    1.8     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 890, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  7 DG  O6  28 DA  H61   1.8     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 894, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 25 DG  H1  11 DG  O6    1.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 342, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 25 DG  O6  11 DG  H1    1.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 344, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 26 DG  H1  10 DG  O6    1.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 309, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 26 DG  O6  10 DG  H1    1.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 311, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 27 DG  H1   9 DG  O6    1.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 276, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 27 DG  O6   9 DG  H1    1.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 278, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 22 DC  H42   29 DG  O6    2.5     5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 925, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  6 DC  H42   13 DG  O6    2.5     5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 407, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 30 DC  H42   21 DG  O6    2.5     5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 666, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 14 DC  H42   5 DG  O6    2.5     5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 148, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
#
# 31 DG  H1  4 DA  N7    2.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 990, 113, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, 
      rk2=30.0, rk3=30.0, ir6=1, ialtd=0,
 &end
# 31 DG  O6  4 DA  H61   1.8     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 988, 117, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 15 DG  H1   20 DA  N7    1.8     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 631, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
# 15 DG  O6  20 DA  H61   1.8     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 635, r1= 1.00, r2= 1.50, r3= 2.60, r4= 4.10,  &end
# 
#
#  2 DG  H1  18 DG  O6    2.0     5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 568, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  2 DG  O6  18 DG  H1    2.0     5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 570, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  1 DG  H1  19 DG  O6    2.0     5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 601, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  1 DG  O6  19 DG  H1    2.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 603, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  3 DG  H1  17 DG  O6    2.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 535, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
#
#  3 DG  O6  17 DG  H1    2.5     2.5
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 537, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10,  &end
## Restraints file 2: amber.crd.rst

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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	644239	6sx3	34435	cing	1-original	1	AMBER	distance	hydrogen bond	simple