NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492212 |
2k7x   |
cing | 1-original | 1 | AMBER | distance | NOE | ambi |
#
# 45 ASN HD2+ 60 HIS HE1 5.50 (# 3:65 Unique 5.90, 6.60 A)
&rst
ixpk= 3, nxpk= 65, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 703, 704,
&end
#
# 57 THR MG2 60 HIS HE1 5.50 (# 5:65 Unique 2.73, 3.77 A)
&rst
ixpk= 5, nxpk= 65, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 902, 903, 904,
&end
#
# 71 THR MG2 23 TYR HD 5.50 (# 15:65 Unique 2.23, 5.08 A)
&rst
ixpk= 15, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1106,1107,1108,
igr2= 341, 350,
&end
#
# 23 TYR HB- 23 TYR HD 5.50 (# 16:65 Unique 2.36, 3.07 A)
&rst
ixpk= 16, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 337, 338,
igr2= 341, 350,
&end
#
# 23 TYR HE 23 TYR HD 4.50 (# 18:65 Unique 2.46, 3.72 A)
&rst
ixpk= 18, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 343, 348,
igr2= 341, 350,
&end
#
# 20 ALA HA 23 TYR HD 4.50 (# 19:65 Unique 2.29, 4.27 A)
&rst
ixpk= 19, nxpk= 65, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 341, 350,
&end
#
# 23 TYR HB+ 23 TYR HD 5.50 (# 20:65 Unique 2.36, 3.07 A)
&rst
ixpk= 20, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 337, 338,
igr2= 341, 350,
&end
#
# 0 AMB 65-2:21 23 TYR HD 5.50 (# 21:65 Single Ambig)
&rst
ixpk= 21, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1012,1013,1014,1016,1017,1018,1052,1053,1054,1056,
1057,1058,
igr2= 341, 350,
&end
#
# 51 TYR HE 51 TYR HD 3.50 (# 24:65 Unique 2.45, 3.72 A)
&rst
ixpk= 24, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 802, 807,
igr2= 800, 809,
&end
#
# 0 AMB 65-2:25 51 TYR HD 4.50 (# 25:65 Single Ambig)
&rst
ixpk= 25, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 796, 797, 745,
igr2= 800, 809,
&end
#
# 51 TYR HB+ 51 TYR HD 5.50 (# 26:65 Unique 2.38, 3.07 A)
&rst
ixpk= 26, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 796, 797,
igr2= 800, 809,
&end
#
# 47 VAL MGY 51 TYR HD 5.50 (# 27:65 Unique 3.42, 7.17 A)
&rst
ixpk= 27, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2= 800, 809,
&end
#
# 71 THR MG2 23 TYR HD 5.50 (# 29:65 Unique 2.23, 5.08 A)
&rst
ixpk= 29, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1106,1107,1108,
igr2= 341, 350,
&end
#
# 51 TYR HA 51 TYR HD 5.50 (# 30:65 Unique 2.96, 3.65 A)
&rst
ixpk= 30, nxpk= 65, iat= 794, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 800, 809,
&end
#
# 44 PHE HB- 44 PHE HD 5.50 (# 32:65 Unique 2.37, 3.08 A)
&rst
ixpk= 32, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 678, 679,
igr2= 682, 690,
&end
#
# 49 MET HN 53 TYR HD 5.50 (# 40:65 Unique 5.37, 6.15 A)
&rst
ixpk= 40, nxpk= 65, iat= 753, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 835, 844,
&end
#
# 51 TYR HN 53 TYR HD 2.80 (# 42:65 Unique 2.95, 4.95 A)
&rst
ixpk= 42, nxpk= 65, iat= 792, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 835, 844,
&end
#
# 53 TYR HB- 53 TYR HD 5.50 (# 51:65 Unique 2.29, 3.07 A)
&rst
ixpk= 51, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 831, 832,
igr2= 835, 844,
&end
#
# 37 PHE HB+ 37 PHE HD 5.50 (# 55:65 Unique 2.34, 3.10 A)
&rst
ixpk= 55, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 571, 572,
igr2= 575, 583,
&end
#
# 37 PHE HD 37 PHE HE 2.80 (# 57:65 Unique 2.47, 3.73 A)
&rst
ixpk= 57, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 575, 583,
igr2= 577, 581,
&end
#
# 0 AMB 65-2:65 44 PHE HE 5.50 (# 65:65 Single Ambig)
&rst
ixpk= 65, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1252, 747, 748, 749,
igr2= 684, 688,
&end
#
# 15 THR MG2 44 PHE HE 5.50 (# 67:65 Unique 2.37, 4.24 A)
&rst
ixpk= 67, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 204, 205, 206,
igr2= 684, 688,
&end
#
# 82 LEU HG 44 PHE HZ 5.50 (# 77:65 Unique 2.56, 2.86 A)
&rst
ixpk= 77, nxpk= 65, iat=1252, 686, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 PHE HE 44 PHE HZ 3.50 (# 78:65 Unique 2.48, 2.50 A)
&rst
ixpk= 78, nxpk= 65, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 684, 688,
&end
#
# 15 THR MG2 44 PHE HZ 5.50 (# 80:65 Unique 3.07, 3.40 A)
&rst
ixpk= 80, nxpk= 65, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 204, 205, 206,
&end
#
# 32 TRP HN 32 TRP HD1 5.50 (# 81:65 Unique 2.52, 3.08 A)
&rst
ixpk= 81, nxpk= 65, iat= 466, 474, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TRP HE1 32 TRP HD1 5.50 (# 82:65 Unique 2.54, 2.56 A)
&rst
ixpk= 82, nxpk= 65, iat= 476, 474, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TRP HB+ 32 TRP HD1 5.50 (# 84:65 Unique 2.59, 3.20 A)
&rst
ixpk= 84, nxpk= 65, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 470, 471,
&end
#
# 32 TRP HE1 32 TRP HD1 5.50 (# 85:65 Unique 2.54, 2.56 A)
&rst
ixpk= 85, nxpk= 65, iat= 476, 474, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HE1 21 TRP HD1 5.50 (# 94:65 Unique 2.55, 2.56 A)
&rst
ixpk= 94, nxpk= 65, iat= 300, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 GLN HE2+ 21 TRP HD1 5.50 (# 96:65 Unique 5.05, 6.97 A)
&rst
ixpk= 96, nxpk= 65, iat= -1, 298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1751,1752,
&end
#
# 95 ILE HB 21 TRP HH2 5.50 (# 103:65 Unique 2.22, 2.33 A)
&rst
ixpk= 103, nxpk= 65, iat=1457, 305, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HZ3 21 TRP HH2 5.50 (# 104:65 Unique 2.47, 2.48 A)
&rst
ixpk= 104, nxpk= 65, iat= 307, 305, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU HA 21 TRP HH2 5.50 (# 105:65 Unique 2.44, 2.55 A)
&rst
ixpk= 105, nxpk= 65, iat=1544, 305, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HZ2 21 TRP HH2 5.50 (# 106:65 Unique 2.47, 2.49 A)
&rst
ixpk= 106, nxpk= 65, iat= 303, 305, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HE3 21 TRP HZ3 5.50 (# 122:65 Unique 2.46, 2.47 A)
&rst
ixpk= 122, nxpk= 65, iat= 309, 307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HZ3 21 TRP HE3 5.50 (# 124:65 Unique 2.46, 2.47 A)
&rst
ixpk= 124, nxpk= 65, iat= 307, 309, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 ALA MB 53 TYR HE 5.50 (# 132:65 Unique 4.96, 6.29 A)
&rst
ixpk= 132, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 747, 748, 749,
igr2= 837, 842,
&end
#
# 44 PHE HZ 53 TYR HE 5.50 (# 133:65 Unique 5.17, 6.70 A)
&rst
ixpk= 133, nxpk= 65, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 837, 842,
&end
#
# 0 AMB 65-2:134 53 TYR HE 5.50 (# 134:65 Single Ambig)
&rst
ixpk= 134, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 686, 231,
igr2= 837, 842,
&end
#
# 18 VAL MGX 53 TYR HE 5.50 (# 136:65 Unique 2.14, 5.15 A)
&rst
ixpk= 136, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 251, 252, 253, 255, 256, 257,
igr2= 837, 842,
&end
#
# 86 LEU MDY 53 TYR HE 5.50 (# 137:65 Unique 2.53, 4.82 A)
&rst
ixpk= 137, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 837, 842,
&end
#
# 51 TYR HD 51 TYR HE 2.80 (# 139:65 Unique 2.45, 3.72 A)
&rst
ixpk= 139, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 800, 809,
igr2= 802, 807,
&end
#
# 47 VAL MGY 51 TYR HE 4.50 (# 142:65 Unique 2.24, 5.85 A)
&rst
ixpk= 142, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 733, 734, 735, 737, 738, 739,
igr2= 802, 807,
&end
#
# 47 VAL HN 51 TYR HE 5.50 (# 143:65 Unique 5.62, 7.80 A)
&rst
ixpk= 143, nxpk= 65, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 802, 807,
&end
#
# 87 GLN HG+ 51 TYR HE 5.50 (# 144:65 Unique 4.47, 5.86 A)
&rst
ixpk= 144, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1346,1347,
igr2= 802, 807,
&end
#
# 0 AMB 65-2:147 23 TYR HE 5.50 (# 147:65 Single Ambig)
&rst
ixpk= 147, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 346, 341, 350,
igr2= 343, 348,
&end
#
# 60 HIS HA 60 HIS HD2 5.50 (# 152:65 Unique 3.11, 3.16 A)
&rst
ixpk= 152, nxpk= 65, iat= 941, 952, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 LEU MDX 60 HIS HD2 5.50 (# 154:65 Unique 2.34, 3.62 A)
&rst
ixpk= 154, nxpk= 65, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 221, 222, 223, 225, 226, 227,
&end
#
# 16 LEU MDX 60 HIS HD2 5.50 (# 158:65 Unique 2.34, 3.62 A)
&rst
ixpk= 158, nxpk= 65, iat= -1, 952, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 221, 222, 223, 225, 226, 227,
&end
#
# 21 TRP HE1 21 TRP HZ2 5.50 (# 159:65 Unique 2.90, 2.92 A)
&rst
ixpk= 159, nxpk= 65, iat= 300, 303, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HH2 21 TRP HZ2 5.50 (# 161:65 Unique 2.47, 2.49 A)
&rst
ixpk= 161, nxpk= 65, iat= 305, 303, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 65-2:164 21 TRP HZ2 5.50 (# 164:65 Single Ambig)
&rst
ixpk= 164, nxpk= 65, iat= -1, 303, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1457,1568,1569,
&end
#
# 95 ILE HG1- 32 TRP HZ2 5.50 (# 166:65 Unique 2.37, 2.90 A)
&rst
ixpk= 166, nxpk= 65, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1463,1464,
&end
#
# 0 AMB 65-2:176 33 PHE HD 5.50 (# 176:65 Single Ambig)
&rst
ixpk= 176, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 494, 495, 323, 324, 325, 327, 328, 329,
igr2= 498, 506,
&end
#
# 53 TYR HD 53 TYR HE 3.50 (# 177:65 Unique 2.46, 3.73 A)
&rst
ixpk= 177, nxpk= 65, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 835, 844,
igr2= 837, 842,
&end
#
# 53 TYR HA 53 TYR HE 5.50 (# 178:65 Unique 5.05, 5.25 A)
&rst
ixpk= 178, nxpk= 65, iat= 829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 837, 842,
&end
# 1851 atoms read from pdb file _001.
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