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
	476164	1kr8	5282	cing	1-original	1	AMBER	distance	NOE	simple

# The atomnumbering does not correspond to the one in 1KR8.pdb. Instead the
# atom numbers, as well as atom/residue names, correspond to default
# naming/numbering convention in AMBER 6.0, the exception being the NOE
# restraints converted by program mardi2amber (search for string "mardi" and
# see the note). Nevertheless, all restraints are in SANDER6 readable format.


####################################################################
#  WC retraints, WC by Saenger
#  GA sheared mismatch is switched off
###################################################################
#
# 1  GUA  H1     7  CYT  N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 213, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 1  GUA  H21    7  CYT  O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 215, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
# 1  GUA  N1     7  CYT  N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 213, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
# 1  GUA  O6     7  CYT  H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 212, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 1  GUA  O6     7  CYT  N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 210, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
# 2  CYT  H41    6  GUA  O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 177, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 2  CYT  N3     6  GUA  H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 179, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
# 2  CYT  N3     6  GUA  N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 178, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
# 2  CYT  N4     6  GUA  O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 177, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
# 2  CYT  O2     6  GUA  H21     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  55, 182, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
# 3  GUA  H22    5  ADE  N7      1.80   2.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  86, 142, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
# 3  GUA  N2     5  ADE  N7      2.80   3.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  84, 142, r1= 2.30, r2= 2.80, r3= 3.10, r4= 3.60,  &end
#
# 3  GUA  N3     5  ADE  H62     1.80   2.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  87, 147, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
# 3  GUA  N3     5  ADE  N6      2.80   3.10
# &rst
#  ixpk= 0, nxpk= 0, iat=  87, 145, r1= 2.30, r2= 2.80, r3= 3.10, r4= 3.60,  &end

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