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
638026 6o7g 30585 cing 1-original 3 AMBER distance NOE simple


#     2 LEU  QB        65 LYS  HA         6.00       
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1=  17,  18,
 igr2= 940, 941, 953,
 /
#
#    15 GLU  QG        66 ARG  QD         5.50 -> TK del
# &rst
#  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 6.93, r4= 7.43,
#      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
# igr1= 215, 216,
# igr2= 965, 966,
# /
#
#    12 TYR  QE        65 LYS  QD         7.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1= 166, 171,
 igr2= 946, 945,
 /
#
#    27 TRP  HZ2       65 LYS  QD         6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 946, 945,
 /
#
#    27 TRP  HZ2       65 LYS  QE         6.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 944, 943,
 /
#
#    27 TRP  HZ2       65 LYS  HA         7.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 940, 941, 953,
 /
#
#    27 TRP  HZ2       63 GLY  QA         5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 914, 915,
 /
#
#    27 TRP  HH2       65 LYS  QD         4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 946, 945,
 /
#
#    27 TRP  HH2       63 GLY  QA         4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 914, 915,
 /
#
#    27 TRP  HZ3       65 LYS  QD         5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 946, 945,
 /
#
#    27 TRP  HD1       65 LYS  HA         6.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 940, 941, 953,
 /
#    18 LEU  QD1       67 HIS  QB         6.50 -> TK add weak; 66 ARG QD amb use his.hb
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 263, 264, 265,
 igr2= 983, 984,
 /
#
#
#   15 GLU  QG        13 VAL  QQG         6.50
 &rst 
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.20, r4=7.70,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 215,216,
 igr2=183,184,185,187,188,189,
 /
#
#   3 VAL  QG        2 LEU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= -1,  17, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=38,39,40,42,43,44,
 /
#
#  18 LEU  QD        2 LEU  QD        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= -1,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=263,264,265,267,268,269,
 igr2=22,23,24,26,27,28,
 /
#
#  27 TRP  HZ2       20 GLN  QG         6.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=299,300,
 /
#
#  27 TRP  HZ2       66 ALY  CH3 or 25 QG         7.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=377,378,
 /
#
#  27 TRP  HZ3       19 ILE  HB         6.5 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=277,
 /
#
#


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