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
21040 2gzy 7108 cing 1-original 2 AMBER distance hydrogen bond simple


#
#  77 VAL  HN     85 GLU- O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1295, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  77 VAL  N      85 GLU- O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  75 LEU  O      87 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1311, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  75 LEU  O      87 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1310, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  75 LEU  HN     87 SER  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1320, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  75 LEU  N      87 SER  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1320, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  73 PRO  O      89 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1338, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  73 PRO  O      89 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1337, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  77 VAL  O      85 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1282, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  77 VAL  O      85 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1281, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  20 VAL  HN     78 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 271,1192, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  20 VAL  N      78 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 270,1192, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  20 VAL  O      78 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 285,1175, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  20 VAL  O      78 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 285,1174, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 ALA  HN     76 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 306,1157, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 ALA  N      76 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 305,1157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 ALA  O      76 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 314,1140, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 ALA  O      76 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 314,1139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 PHE  O      74 THR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1107, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  24 PHE  O      74 THR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1106, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 LEU  HN     51 LYS+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 770, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  21 LEU  N      51 LYS+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 LEU  O      53 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 791, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  21 LEU  O      53 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 ASP- HN     53 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 805, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 ASP- N      53 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 805, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 ASP- O      55 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 829, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 ASP- O      55 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 828, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 TRP  HN     55 ILE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 846, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 TRP  N      55 ILE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 846, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 VAL  HN     52 ILE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 789, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 VAL  N      52 ILE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 789, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 VAL  O      54 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 807, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 VAL  O      54 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 806, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  93 LYS+ O      97 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1467, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  93 LYS+ O      97 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  95 ALA  O      99 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1499, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  95 ALA  O      99 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1498, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  96 LEU  O     100 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1465,1518, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  96 LEU  O     100 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1465,1517, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  97 GLN  O     101 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1534, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  97 GLN  O     101 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1533, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  35 ILE  O      39 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 561, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  35 ILE  O      39 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 ALA  O      40 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 580, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  36 ALA  O      40 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 579, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 PRO  O      41 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 595, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  37 PRO  O      41 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 594, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 VAL  O      42 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 610, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  38 VAL  O      42 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 609, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 LEU  O      43 ASP- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 629, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 LEU  O      43 ASP- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  40 GLU- O      44 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 641, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  40 GLU- O      44 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 LEU  O      46 MET  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 673, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  42 LEU  O      46 MET  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
# 1605 atoms read from pdb file prm1.pdb.


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, May 6, 2024 12:27:49 AM GMT (wattos1)