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
16635 2ai6 6625 cing 1-original 6 AMBER distance hydrogen bond simple


#
# 106 THR HN 102 HIS O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1580,1538, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 106 THR N 102 HIS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1538, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 107 GLU HN 103 ALA O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1548, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 107 GLU N 103 ALA O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1593,1548, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 108 LYS HN 104 ILE O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1609,1567, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 108 LYS N 104 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1608,1567, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 109 ILE HN 105 SER O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1631,1578, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 109 ILE N 105 SER O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1630,1578, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 110 LYS HN 106 THR O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1592, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 110 LYS N 106 THR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1649,1592, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 111 ALA HN 107 GLU O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1607, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 111 ALA N 107 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1607, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 112 LYS HN 108 LYS O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1629, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 112 LYS N 108 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1629, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 57 TYR HN 53 HIS O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 819, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 57 TYR N 53 HIS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 819, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 58 ASP HN 54 ALA O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 829, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 58 ASP N 54 ALA O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 829, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 59 LYS HN 55 ASP O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 841, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 59 LYS N 55 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 841, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 60 VAL HN 56 ILE O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 860, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 60 VAL N 56 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 860, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 61 SER HN 57 TYR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 881, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 61 SER N 57 TYR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 881, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 62 GLY HN 58 ASP O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 893, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 62 GLY N 58 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 893, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 63 ASP HN 59 LYS O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 915, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 63 ASP N 59 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 915, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 64 MET HN 60 VAL O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 931, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 64 MET N 60 VAL O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 931, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 65 GLN HN 61 SER O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 942, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 65 GLN N 61 SER O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 942, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 66 LYS HN 62 GLY O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 997, 949, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 66 LYS N 62 GLY O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 996, 949, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 67 GLN HN 63 ASP O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1019, 961, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 67 GLN N 63 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1018, 961, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 28 HIS HN 70 ASP O 1.8 2.3  (#28-70 beta-sheet)
 &rst
  ixpk= 0, nxpk= 0, iat= 424,1064, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 28 HIS N 70 ASP O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 423,1064, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 26 ARG HN 72 GLU O  1.8 2.3  (#76-26)
 &rst
  ixpk= 0, nxpk= 0, iat= 384,1090, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 26 ARG N 72 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 383,1090, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 72 GLU HN 26 ARG O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1077, 406, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 72 GLU N 26 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1076, 406, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 27 VAL HN 41 LYS O  1.8 2.3  (#27-41)
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 608, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 27 VAL N 41 LYS O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 608, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 41 LYS HN 27 VAL O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 422, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 41 LYS N 27 VAL O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 422, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 29 SER HN 39 GLU O 1.8 2.3  (#29-39)
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 575, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 29 SER N 39 GLU O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 575, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 25 ILE HN 43 ILE O  1.8 2.3  (#25-43)
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 642, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 25 ILE N 43 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 642, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 43 ILE HN 25 ILE O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 382, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 43 ILE N 25 ILE O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 382, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 23 VAL HN 45 ARG O 1.8 2.3  (#23-45)
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 682, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23 VAL N 45 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 682, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 23 VAL O 45 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 660, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23 VAL O 45 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 659, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 24 LEU HN 75 GLY O 1.8 2.3  (#24-75)
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1127, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 24 LEU N 75 GLY O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 345,1127, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 22 TYR O 77 GLY HN 1.8 2.3  (#22-77)
 &rst
  ixpk= 0, nxpk= 0, iat= 328,1136, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 22 TYR O 77 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 328,1135, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 90 VAL HN 119 THR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1815, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 90 VAL N 119 THR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1815, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 78 ARG HN 91 TYR O  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1386, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 78 ARG N 91 TYR O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1142,1386, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
# 91 TYR HN 78 ARG O 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1367,1165, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 91 TYR N 78 ARG O 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1165, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:7      120 TRP  HE1         5.50    (#      7:10  Single Ambig)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1832,1834,1594,
 &end


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

Contact the webmaster for help, if required. Thursday, April 25, 2024 7:16:00 AM GMT (wattos1)