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
541944 2lod 18209 cing 1-original 2 AMBER distance hydrogen bond simple


#H-BONDS RESTRAINTS
# 20 DG   O6     16 DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 503, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,
      rk2=60.0, rk3=60.0, ir6=1, ialtd=0, nstep1=0, nstep2=100000,
  &end
#
# 20 DG   N7     16 DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 506, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#
# 1  DG   O6     6  DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 182, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 1  DG   N7     6  DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat=  14, 185, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 7  DG   O6     2  DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  52, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 7  DG   N7     2  DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  55, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 15 DG   O6     21 DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 664, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 15 DG   N7     21 DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 667, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 8  DG   O6     3  DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  85, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 8  DG   N7     3  DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  88, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 14 DG   O6     22 DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 697, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 14 DG   N7     22 DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 700, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 16 DG   O6     1  DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  19, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 16 DG   N7     1  DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  22, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 6  DG   O6     20 DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 631, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 6  DG   N7     20 DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 634, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 2  DG   O6     15 DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 470, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 2  DG   N7     15 DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 473, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 21 DG   O6     7  DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 215, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 21 DG   N7     7  DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 218, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 3  DG   O6     14 DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 437, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 3  DG   N7     14 DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 440, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
# 22 DG   O6     8  DG  H1    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 248, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end
#
# 22 DG   N7     8  DG  H21   1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 251, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#
#


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