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
604411 2n7b 25799 cing 1-original 2 AMBER distance hydrogen bond simple


#
# 12 LEU H 34 SER O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 514, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 12 LEU N 34 SER O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 514, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 14 GLN H 32 SER O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 483, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 14 GLN N 32 SER O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 483, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 19 VAL H 131 SER O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 286,2072, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 19 VAL N 131 SER O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 285,2072, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 21 VAL H 133 PHE O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 316,2108, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 21 VAL N 133 PHE O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 315,2108, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 23 GLU H 135 THR O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 349,2138, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 23 GLU N 135 THR O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 348,2138, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 24 GLY H 98 ALA O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 364,1485, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 24 GLY N 98 ALA O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 363,1485, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 27 VAL H 95 ILE O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 401,1439, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 27 VAL N 95 ILE O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 400,1439, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 29 VAL H 93 LEU O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 434,1409, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 29 VAL N 93 LEU O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 433,1409, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 32 SER H 14 GLN O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 217, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 32 SER N 14 GLN O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 217, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 33 PHE H 89 ASN O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 485,1357, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 33 PHE N 89 ASN O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 484,1357, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 34 SER H 12 LEU O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 181, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 34 SER N 12 LEU O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 181, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 47 HIS H 111 GLU O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 690,1726, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 47 HIS N 111 GLU O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 689,1726, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 49 TYR H 109 ARG O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 714,1692, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 49 TYR N 109 ARG O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 713,1692, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 50 TRP H 64 ALA O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 968, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 50 TRP N 64 ALA O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 968, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 50 TRP HE1 91 CYX O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 745,1379, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 50 TRP NE1 91 CYX O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 744,1379, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 51 PHE H 107 PHE O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1648, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 51 PHE N 107 PHE O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 758,1648, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 52 ARG H 55 ASP OD1 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 827, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 52 ARG N 55 ASP OD1 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 827, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 63 VAL H 50 TRP O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 757, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 63 VAL N 50 TRP O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 757, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 80 PHE H 76 THR O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1147, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 80 PHE N 76 THR O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1147, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 81 GLN H 94 SER O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1420, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 81 GLN N 94 SER O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1420, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 90 ASP H 85 ASP O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1359,1289, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 90 ASP N 85 ASP O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1289, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 91 CYX H 31 CYX O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1371, 472, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 91 CYX N 31 CYX O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1370, 472, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 93 LEU H 29 VAL O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1392, 448, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 93 LEU N 29 VAL O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1391, 448, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 94 SER H 81 GLN O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1232, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 94 SER N 81 GLN O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1410,1232, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 95 ILE H 27 VAL O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1422, 415, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 95 ILE N 27 VAL O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1421, 415, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 96 ARG H 79 ARG O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1195, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 96 ARG N 79 ARG O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1195, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 98 ALA H 25 LEU O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1477, 388, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 98 ALA N 25 LEU O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1476, 388, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 99 ARG H 102 ASP OD1 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1564, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 99 ARG N 102 ASP OD1 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1486,1564, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 102 ASP H 99 ARG O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1509, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 102 ASP N 99 ARG O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1509, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 106 TYR HH 102 ASP O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1622,1567, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 106 TYR OH 102 ASP O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1567, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 106 TYR H 130 LEU O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1609,2061, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 106 TYR N 130 LEU O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1608,2061, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 107 PHE H 51 PHE O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1630, 777, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 107 PHE N 51 PHE O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1629, 777, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 109 ARG H 49 TYR O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1670, 733, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 109 ARG N 49 TYR O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1669, 733, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 110 LEU H 117 TRP O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1694,1831, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 110 LEU N 117 TRP O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1693,1831, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 111 GLU H 47 HIS O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1713, 705, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 111 GLU N 47 HIS O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1712, 705, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 112 ARG H 115 MET O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1785, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 112 ARG N 115 MET O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1727,1785, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 117 TRP HE1 125 TYR OH 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1819,1960, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 117 TRP NE1 125 TYR OH 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1818,1960, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 119 TYR HH 34 SER O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1857, 514, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 119 TYR OH 34 SER O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=1856, 514, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 130 LEU H 106 TYR O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2044,1628, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 130 LEU N 106 TYR O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=2043,1628, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 131 SER H 17 GLU O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2063, 265, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 131 SER N 17 GLU O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=2062, 265, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 132 VAL H 104 GLY O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2074,1596, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 132 VAL N 104 GLY O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=2073,1596, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end
#
# 133 PHE H 19 VAL O 1.7 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2090, 300, r1= 1.20, r2= 1.70, r3= 2.30, r4= 2.80,  &end
#
# 133 PHE N 19 VAL O 2.6 3.2
 &rst
  ixpk= 0, nxpk= 0, iat=2089, 300, r1= 2.10, r2= 2.60, r3= 3.20, r4= 3.70,  &end


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

Contact the webmaster for help, if required. Monday, April 29, 2024 3:59:08 PM GMT (wattos1)