NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
501246 |
2l17   |
cing | 1-original | 2 | AMBER | distance | NOE | simple |
#
# 0 AMB 26-2:1 99 TRP HZ3 3.50 (# 1:26 Single Ambig)
&rst
ixpk= 1, nxpk= 26, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1786,1787,1788,1790,1791,1792,1911,1912,1913,1915,
1916,1917,
&end
#
# 87 PRO HG- 90 TRP HD1 3.50 (# 2:26 Unique 2.21, 3.12 A)
&rst
ixpk= 2, nxpk= 26, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1269,1270,
&end
#
# 0 AMB 26-2:3 99 TRP HD1 3.50 (# 3:26 Single Ambig)
&rst
ixpk= 3, nxpk= 26, iat= -1,1468, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1437,1438,1440,1441,
&end
#
# 5 MET ME 0 AMB 26-1:4 3.50 (# 4:26 Single Ambig)
&rst
ixpk= 4, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 92, 93, 94,
igr2=1008,1012,1323,
&end
#
# 123 VAL MGY 99 TRP HH2 3.50 (# 6:26 Unique 3.30, 4.65 A)
&rst
ixpk= 6, nxpk= 26, iat= -1,1475, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 126 LEU MDX 99 TRP HH2 3.50 (# 7:26 Unique 2.26, 3.60 A)
&rst
ixpk= 7, nxpk= 26, iat= -1,1475, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1911,1912,1913,1915,1916,1917,
&end
#
# 126 LEU HB- 99 TRP HZ2 3.50 (# 8:26 Unique 2.06, 2.36 A)
&rst
ixpk= 8, nxpk= 26, iat= -1,1473, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1906,1907,
&end
#
# 126 LEU MDX 99 TRP HZ2 2.80 (# 9:26 Unique 2.84, 4.28 A)
&rst
ixpk= 9, nxpk= 26, iat= -1,1473, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1911,1912,1913,1915,1916,1917,
&end
#
# 6 PHE HA 6 PHE HD 5.50 (# 10:26 Unique 2.13, 3.45 A)
&rst
ixpk= 10, nxpk= 26, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 106, 114,
&end
#
# 15 SER HA 6 PHE HD 4.50 (# 11:26 Unique 2.91, 5.09 A)
&rst
ixpk= 11, nxpk= 26, iat= 253, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 106, 114,
&end
#
# 0 AMB 26-2:13 6 PHE HD 4.50 (# 13:26 Single Ambig)
&rst
ixpk= 13, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 352, 353, 354, 85, 86,
igr2= 106, 114,
&end
#
# 77 ILE HB 6 PHE HD 4.50 (# 14:26 Unique 2.10, 3.91 A)
&rst
ixpk= 14, nxpk= 26, iat=1135, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 106, 114,
&end
#
# 32 VAL MGX 6 PHE HD 4.50 (# 15:26 Unique 2.40, 6.55 A)
&rst
ixpk= 15, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 494, 495, 496, 498, 499, 500,
igr2= 106, 114,
&end
#
# 32 VAL MGY 6 PHE HD 5.50 (# 16:26 Unique 2.40, 6.55 A)
&rst
ixpk= 16, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 494, 495, 496, 498, 499, 500,
igr2= 106, 114,
&end
#
# 0 AMB 26-2:17 6 PHE HD 4.50 (# 17:26 Single Ambig)
&rst
ixpk= 17, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 300, 301, 302,1141,1142,
igr2= 106, 114,
&end
#
# 77 ILE QG2 6 PHE HD 4.50 (# 18:26 Unique 2.42, 5.19 A)
&rst
ixpk= 18, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1137,1138,1139,
igr2= 106, 114,
&end
#
# 21 PHE HN 21 PHE HD 5.50 (# 19:26 Unique 3.42, 3.80 A)
&rst
ixpk= 19, nxpk= 26, iat= 328, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 336, 344,
&end
#
# 21 PHE HA 21 PHE HD 4.50 (# 20:26 Unique 2.02, 3.38 A)
&rst
ixpk= 20, nxpk= 26, iat= 330, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 336, 344,
&end
#
# 76 VAL HB 96 PHE HD 4.50 (# 23:26 Unique 2.29, 4.54 A)
&rst
ixpk= 23, nxpk= 26, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1421,1429,
&end
#
# 55 ILE QD1 21 PHE HD 4.50 (# 25:26 Unique 2.32, 4.48 A)
&rst
ixpk= 25, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 827, 828, 829,
igr2= 336, 344,
&end
#
# 43 HIS HB+ 43 HIS HD2 4.50 (# 28:26 Unique 2.34, 3.13 A)
&rst
ixpk= 28, nxpk= 26, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 647, 648,
&end
#
# 43 HIS HB- 43 HIS HD2 4.50 (# 29:26 Unique 2.34, 3.13 A)
&rst
ixpk= 29, nxpk= 26, iat= -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 647, 648,
&end
#
# 68 PHE HB+ 68 PHE HD 4.50 (# 30:26 Unique 2.36, 3.09 A)
&rst
ixpk= 30, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1002,1003,
igr2=1006,1014,
&end
#
# 68 PHE HB- 68 PHE HD 4.50 (# 31:26 Unique 2.36, 3.09 A)
&rst
ixpk= 31, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1002,1003,
igr2=1006,1014,
&end
#
# 65 ILE HA 68 PHE HD 3.50 (# 32:26 Unique 2.40, 4.54 A)
&rst
ixpk= 32, nxpk= 26, iat= 952, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1006,1014,
&end
#
# 0 AMB 26-2:33 68 PHE HD 5.50 (# 33:26 Single Ambig)
&rst
ixpk= 33, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 533, 534, 988, 989,
igr2=1006,1014,
&end
#
# 5 MET ME 68 PHE HD 4.50 (# 35:26 Unique 2.55, 4.32 A)
&rst
ixpk= 35, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 92, 93, 94,
igr2=1006,1014,
&end
#
# 68 PHE HA 68 PHE HD 4.50 (# 36:26 Unique 2.43, 3.40 A)
&rst
ixpk= 36, nxpk= 26, iat=1000, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1006,1014,
&end
#
# 68 PHE HN 68 PHE HD 5.50 (# 37:26 Unique 2.48, 3.98 A)
&rst
ixpk= 37, nxpk= 26, iat= 998, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1006,1014,
&end
#
# 90 TRP HE1 90 TRP HD1 3.50 (# 38:26 Unique 2.56, 2.57 A)
&rst
ixpk= 38, nxpk= 26, iat=1318,1316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HN 90 TRP HD1 5.50 (# 39:26 Unique 2.06, 2.27 A)
&rst
ixpk= 39, nxpk= 26, iat=1308,1316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 PRO HD+ 90 TRP HD1 5.50 (# 40:26 Unique 2.55, 3.46 A)
&rst
ixpk= 40, nxpk= 26, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1266,1267,
&end
#
# 0 AMB 26-2:41 90 TRP HD1 4.50 (# 41:26 Single Ambig)
&rst
ixpk= 41, nxpk= 26, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1266,1267,1312,1313,
&end
#
# 90 TRP HB- 90 TRP HD1 4.50 (# 42:26 Unique 2.70, 3.31 A)
&rst
ixpk= 42, nxpk= 26, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1312,1313,
&end
#
# 87 PRO HB+ 90 TRP HD1 4.50 (# 43:26 Unique 2.29, 4.05 A)
&rst
ixpk= 43, nxpk= 26, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1272,1273,
&end
#
# 0 AMB 26-2:44 112 PHE HD 5.50 (# 44:26 Single Ambig)
&rst
ixpk= 44, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 727,1678,
igr2=1666,1674,
&end
#
# 112 PHE HN 112 PHE HD 4.50 (# 45:26 Unique 2.03, 3.70 A)
&rst
ixpk= 45, nxpk= 26, iat=1658, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1666,1674,
&end
#
# 109 LEU HA 112 PHE HD 3.50 (# 46:26 Unique 2.74, 4.27 A)
&rst
ixpk= 46, nxpk= 26, iat=1610, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1666,1674,
&end
#
# 112 PHE HB+ 112 PHE HD 3.50 (# 47:26 Unique 2.28, 3.08 A)
&rst
ixpk= 47, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1662,1663,
igr2=1666,1674,
&end
#
# 112 PHE HB- 112 PHE HD 3.50 (# 48:26 Unique 2.28, 3.08 A)
&rst
ixpk= 48, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1662,1663,
igr2=1666,1674,
&end
#
# 49 MET HG+ 112 PHE HD 4.50 (# 49:26 Unique 2.16, 4.34 A)
&rst
ixpk= 49, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 734, 735,
igr2=1666,1674,
&end
#
# 0 AMB 26-2:50 112 PHE HD 4.50 (# 50:26 Single Ambig)
&rst
ixpk= 50, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1587,1588, 731, 732,
igr2=1666,1674,
&end
#
# 0 AMB 26-2:51 112 PHE HD 3.50 (# 51:26 Single Ambig)
&rst
ixpk= 51, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 680, 681, 682,1554,1555,
igr2=1666,1674,
&end
#
# 86 LEU HA 90 TRP HD1 5.50 (# 52:26 Unique 4.31, 4.65 A)
&rst
ixpk= 52, nxpk= 26, iat=1248,1316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 VAL HA 96 PHE HD 4.50 (# 53:26 Unique 2.62, 4.18 A)
&rst
ixpk= 53, nxpk= 26, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1421,1429,
&end
#
# 78 SER HB+ 96 PHE HD 5.50 (# 54:26 Unique 3.72, 6.46 A)
&rst
ixpk= 54, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1154,1155,
igr2=1421,1429,
&end
#
# 98 ASP HA 96 PHE HD 5.50 (# 57:26 Unique 5.14, 6.94 A)
&rst
ixpk= 57, nxpk= 26, iat=1450, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1421,1429,
&end
#
# 0 AMB 26-2:59 96 PHE HD 5.50 (# 59:26 Single Ambig)
&rst
ixpk= 59, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1115,1448,
igr2=1421,1429,
&end
#
# 0 AMB 26-2:63 96 PHE HE 5.50 (# 63:26 Single Ambig)
&rst
ixpk= 63, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1198,1115,
igr2=1423,1427,
&end
#
# 97 GLU HN 96 PHE HE 4.50 (# 64:26 Unique 3.77, 5.18 A)
&rst
ixpk= 64, nxpk= 26, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1423,1427,
&end
#
# 96 PHE HD 96 PHE HE 3.50 (# 65:26 Unique 2.39, 3.72 A)
&rst
ixpk= 65, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1421,1429,
igr2=1423,1427,
&end
#
# 96 PHE HB+ 96 PHE HE 5.50 (# 66:26 Unique 4.66, 5.12 A)
&rst
ixpk= 66, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1417,1418,
igr2=1423,1427,
&end
#
# 96 PHE HB- 96 PHE HE 5.50 (# 67:26 Unique 4.66, 5.12 A)
&rst
ixpk= 67, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1417,1418,
igr2=1423,1427,
&end
#
# 116 ARG HD+ 21 PHE HD 5.50 (# 70:26 Unique 6.06, 7.21 A)
&rst
ixpk= 70, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1742,1743,
igr2= 336, 344,
&end
#
# 112 PHE HA 112 PHE HD 3.50 (# 71:26 Unique 2.77, 3.51 A)
&rst
ixpk= 71, nxpk= 26, iat=1660, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1666,1674,
&end
#
# 0 AMB 26-2:72 73 TYR HE 3.50 (# 72:26 Single Ambig)
&rst
ixpk= 72, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 510, 511, 512, 85, 86,
igr2=1076,1081,
&end
#
# 70 ALA HA 73 TYR HE 4.50 (# 74:26 Unique 3.31, 4.80 A)
&rst
ixpk= 74, nxpk= 26, iat=1034, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1076,1081,
&end
#
# 72 ASP HB- 73 TYR HE 4.50 (# 75:26 Unique 2.57, 5.21 A)
&rst
ixpk= 75, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1058,1059,
igr2=1076,1081,
&end
#
# 3 LYS HE+ 73 TYR HE 4.50 (# 76:26 Unique 2.73, 4.28 A)
&rst
ixpk= 76, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 56, 57,
igr2=1076,1081,
&end
#
# 71 ASP HN 73 TYR HE 5.50 (# 78:26 Unique 5.54, 7.37 A)
&rst
ixpk= 78, nxpk= 26, iat=1042, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1076,1081,
&end
#
# 22 ALA MB 99 TRP HZ3 4.50 (# 79:26 Unique 4.70, 5.75 A)
&rst
ixpk= 79, nxpk= 26, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 352, 353, 354,
&end
#
# 123 VAL MGY 99 TRP HZ3 4.50 (# 80:26 Unique 2.15, 3.94 A)
&rst
ixpk= 80, nxpk= 26, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 127 ILE QD1 99 TRP HZ3 5.50 (# 81:26 Unique 6.14, 7.22 A)
&rst
ixpk= 81, nxpk= 26, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1934,1935,1936,
&end
#
# 97 GLU HB+ 99 TRP HD1 5.50 (# 82:26 Unique 2.91, 3.93 A)
&rst
ixpk= 82, nxpk= 26, iat= -1,1468, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1437,1438,
&end
#
# 99 TRP HA 99 TRP HD1 3.50 (# 83:26 Unique 2.31, 2.40 A)
&rst
ixpk= 83, nxpk= 26, iat=1462,1468, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HE1 99 TRP HD1 3.50 (# 84:26 Unique 2.52, 2.54 A)
&rst
ixpk= 84, nxpk= 26, iat=1470,1468, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 PHE HB- 90 TRP HH2 4.50 (# 85:26 Unique 2.82, 3.54 A)
&rst
ixpk= 85, nxpk= 26, iat= -1,1323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1002,1003,
&end
#
# 68 PHE HB+ 90 TRP HH2 4.50 (# 86:26 Unique 2.82, 3.54 A)
&rst
ixpk= 86, nxpk= 26, iat= -1,1323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1002,1003,
&end
#
# 90 TRP HZ3 90 TRP HH2 2.80 (# 87:26 Unique 2.50, 2.53 A)
&rst
ixpk= 87, nxpk= 26, iat=1325,1323, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 26-2:90 0 AMB 26-1:90 2.80 (# 90:26 Double Ambig)
&rst
ixpk= 90, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1006,1014,1321,
igr2=1008,1012,1323,
&end
#
# 123 VAL HA 99 TRP HH2 3.50 (# 94:26 Unique 2.06, 2.13 A)
&rst
ixpk= 94, nxpk= 26, iat=1859,1475, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HZ2 99 TRP HH2 3.50 (# 95:26 Unique 2.46, 2.48 A)
&rst
ixpk= 95, nxpk= 26, iat=1473,1475, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 ALA HN 90 TRP HZ2 4.50 (# 96:26 Unique 3.33, 3.63 A)
&rst
ixpk= 96, nxpk= 26, iat=1032,1321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HE1 90 TRP HZ2 4.50 (# 97:26 Unique 2.85, 2.87 A)
&rst
ixpk= 97, nxpk= 26, iat=1318,1321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HE1 99 TRP HZ2 4.50 (# 98:26 Unique 2.87, 2.91 A)
&rst
ixpk= 98, nxpk= 26, iat=1470,1473, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HH2 99 TRP HZ2 2.80 (# 100:26 Unique 2.46, 2.48 A)
&rst
ixpk= 100, nxpk= 26, iat=1475,1473, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 26-2:101 99 TRP HZ2 5.50 (# 101:26 Single Ambig)
&rst
ixpk= 101, nxpk= 26, iat= -1,1473, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1464,1465,1923,
&end
#
# 126 LEU HB+ 99 TRP HZ2 4.50 (# 102:26 Unique 2.06, 2.36 A)
&rst
ixpk= 102, nxpk= 26, iat= -1,1473, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1906,1907,
&end
#
# 68 PHE HB- 90 TRP HZ2 4.50 (# 103:26 Unique 2.28, 3.04 A)
&rst
ixpk= 103, nxpk= 26, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1002,1003,
&end
#
# 126 LEU MDY 99 TRP HZ2 4.50 (# 104:26 Unique 2.84, 4.28 A)
&rst
ixpk= 104, nxpk= 26, iat= -1,1473, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1911,1912,1913,1915,1916,1917,
&end
#
# 77 ILE QD1 99 TRP HZ2 5.50 (# 106:26 Unique 2.37, 3.21 A)
&rst
ixpk= 106, nxpk= 26, iat= -1,1473, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1144,1145,1146,
&end
#
# 18 ALA MB 99 TRP HZ3 5.50 (# 107:26 Unique 2.36, 3.54 A)
&rst
ixpk= 107, nxpk= 26, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 300, 301, 302,
&end
#
# 97 GLU HG+ 99 TRP HD1 4.50 (# 109:26 Unique 3.02, 4.99 A)
&rst
ixpk= 109, nxpk= 26, iat= -1,1468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1440,1441,
&end
#
# 99 TRP HB+ 99 TRP HD1 5.50 (# 110:26 Unique 3.31, 3.63 A)
&rst
ixpk= 110, nxpk= 26, iat= -1,1468, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1464,1465,
&end
#
# 79 LEU MDX 6 PHE HD 4.50 (# 111:26 Unique 2.31, 6.17 A)
&rst
ixpk= 111, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 106, 114,
&end
#
# 87 PRO HB- 90 TRP HD1 3.50 (# 113:26 Unique 2.29, 4.05 A)
&rst
ixpk= 113, nxpk= 26, iat= -1,1316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1272,1273,
&end
#
# 55 ILE QD1 21 PHE HE 5.50 (# 115:26 Unique 2.36, 4.73 A)
&rst
ixpk= 115, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 827, 828, 829,
igr2= 338, 342,
&end
#
# 53 VAL MGX 21 PHE HE 4.50 (# 116:26 Unique 2.34, 5.43 A)
&rst
ixpk= 116, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 338, 342,
&end
#
# 120 LYS HD- 21 PHE HE 5.50 (# 117:26 Unique 3.04, 4.43 A)
&rst
ixpk= 117, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1806,1807,
igr2= 338, 342,
&end
#
# 21 PHE HD 21 PHE HE 4.50 (# 118:26 Unique 2.41, 3.71 A)
&rst
ixpk= 118, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 336, 344,
igr2= 338, 342,
&end
#
# 24 THR HB 21 PHE HD 4.50 (# 126:26 Unique 3.44, 5.25 A)
&rst
ixpk= 126, nxpk= 26, iat= 384, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 336, 344,
&end
#
# 21 PHE HB+ 21 PHE HD 5.50 (# 127:26 Unique 2.36, 3.12 A)
&rst
ixpk= 127, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 332, 333,
igr2= 336, 344,
&end
#
# 21 PHE HE 21 PHE HD 2.80 (# 128:26 Unique 2.41, 3.71 A)
&rst
ixpk= 128, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 338, 342,
igr2= 336, 344,
&end
#
# 70 ALA HA 90 TRP HH2 5.50 (# 129:26 Unique 4.53, 4.68 A)
&rst
ixpk= 129, nxpk= 26, iat=1034,1323, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HE3 90 TRP HZ3 5.50 (# 130:26 Unique 2.44, 2.47 A)
&rst
ixpk= 130, nxpk= 26, iat=1327,1325, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 MET ME 21 PHE HD 3.50 (# 136:26 Unique 3.24, 4.60 A)
&rst
ixpk= 136, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 290, 291, 292,
igr2= 336, 344,
&end
#
# 91 VAL MGX 96 PHE HD 4.50 (# 137:26 Unique 2.32, 6.16 A)
&rst
ixpk= 137, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1338,1339,1340,1342,1343,1344,
igr2=1421,1429,
&end
#
# 76 VAL MGY 96 PHE HD 3.50 (# 138:26 Unique 2.12, 5.66 A)
&rst
ixpk= 138, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1421,1429,
&end
#
# 99 TRP HN 99 TRP HD1 5.50 (# 139:26 Unique 3.30, 3.73 A)
&rst
ixpk= 139, nxpk= 26, iat=1460,1468, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
Contact the webmaster for help, if required. Monday, May 6, 2024 11:52:36 AM GMT (wattos1)