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
635064 6ia4 34332 cing 1-original 2 AMBER distance hydrogen bond simple


#############################################################################
# Hydrogen bond restrains:
# Hoogsteen restrains (Hydrogen bonds between G3 and oxoG21 are not included)
#############################################################################

#
# 9	DG	H1	3	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  81, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, 
      rk2=100.0, rk3=100.0, ir6=1, ialtd=0,
 &end
#
# 9	DG	H21	3	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  78, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 21	DG	H1	17	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 537, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 21	DG	H21	17	DG	N7	1.6	2.1
  &rst
  ixpk= 0, nxpk= 0, iat= 673, 534, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 17	DG	H1	9	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 276, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 17	DG	H21	9	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 273, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 10	DG	H1	16	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 504, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 10	DG	H21	16	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 501, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 16	DG	H1	22	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 700, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 16	DG	H21	22	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 697, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 22	DG	H1	4	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 114, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 22	DG	H21	4	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 111, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 4	DG	H1	10	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 309, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 4	DG	H21	10	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 306, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 11	DG	H1	15	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 471, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 11	DG	H21	15	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 468, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 15	DG	H1	23	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 733, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 15	DG	H21	23	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 730, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 23	DG	H1	5	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 147, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 23	DG	H21	5	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 144, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 5	DG	H1	11	DG	O6	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 342, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end
#
# 5	DG	H21	11	DG	N7	1.6	2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 339, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60,  &end



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