NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492873 |
2oq3   |
15126 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
#
# 57 TYR HB- 57 TYR HD 3.50 (# 0:26 Unique 2.31, 3.09 A)
&rst
ixpk= 0, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 892, 893,
igr2= 896, 905,
&end
#
# 65 MET ME 57 TYR HD 5.50 (# 1:26 Unique 2.74, 5.90 A)
&rst
ixpk= 1, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1015,1016,1017,
igr2= 896, 905,
&end
#
# 57 TYR HB+ 57 TYR HD 3.50 (# 2:26 Unique 2.31, 3.09 A)
&rst
ixpk= 2, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 892, 893,
igr2= 896, 905,
&end
#
# 57 TYR HA 57 TYR HD 3.50 (# 4:26 Unique 2.51, 3.41 A)
&rst
ixpk= 4, nxpk= 26, iat= 890, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 896, 905,
&end
#
# 56 TYR HD 57 TYR HD 4.50 (# 6:26 Unique 3.25, 6.60 A)
&rst
ixpk= 6, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 875, 884,
igr2= 896, 905,
&end
#
# 56 TYR HN 56 TYR HD 2.80 (# 15:26 Unique 2.11, 3.83 A)
&rst
ixpk= 15, nxpk= 26, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 875, 884,
&end
#
# 55 PRO HA 56 TYR HD 4.50 (# 17:26 Unique 3.36, 5.70 A)
&rst
ixpk= 17, nxpk= 26, iat= 863, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 875, 884,
&end
#
# 56 TYR HB+ 56 TYR HD 2.80 (# 18:26 Unique 2.28, 3.08 A)
&rst
ixpk= 18, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 871, 872,
igr2= 875, 884,
&end
#
# 56 TYR HB- 56 TYR HD 2.80 (# 19:26 Unique 2.28, 3.08 A)
&rst
ixpk= 19, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 871, 872,
igr2= 875, 884,
&end
#
# 38 ILE QG2 42 TYR HD 3.50 (# 20:26 Unique 2.72, 4.47 A)
&rst
ixpk= 20, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 601, 602, 603,
igr2= 662, 671,
&end
#
# 0 AMB 26-2:21 42 TYR HD 3.50 (# 21:26 Single Ambig)
&rst
ixpk= 21, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 608, 609, 610, 688, 689, 690,
igr2= 662, 671,
&end
#
# 0 AMB 26-2:22 42 TYR HD 3.50 (# 22:26 Single Ambig)
&rst
ixpk= 22, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1137,1138,1139, 605, 606,
igr2= 662, 671,
&end
#
# 0 AMB 26-2:23 42 TYR HD 2.80 (# 23:26 Single Ambig)
&rst
ixpk= 23, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1119,1120, 658, 659,
igr2= 662, 671,
&end
#
# 42 TYR HB+ 42 TYR HD 3.50 (# 24:26 Unique 2.38, 3.06 A)
&rst
ixpk= 24, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 658, 659,
igr2= 662, 671,
&end
#
# 42 TYR HA 42 TYR HD 3.50 (# 25:26 Unique 2.81, 3.58 A)
&rst
ixpk= 25, nxpk= 26, iat= 656, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 662, 671,
&end
#
# 41 ASN HD2+ 42 TYR HD 4.50 (# 26:26 Unique 4.74, 6.59 A)
&rst
ixpk= 26, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 649, 650,
igr2= 662, 671,
&end
#
# 89 TYR HN 89 TYR HD 4.50 (# 27:26 Unique 3.27, 4.61 A)
&rst
ixpk= 27, nxpk= 26, iat=1359, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1367,1376,
&end
#
# 6 TYR HN 6 TYR HD 3.50 (# 28:26 Unique 2.39, 3.73 A)
&rst
ixpk= 28, nxpk= 26, iat= 87, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 95, 104,
&end
#
# 89 TYR HA 89 TYR HD 3.50 (# 32:26 Unique 2.03, 3.42 A)
&rst
ixpk= 32, nxpk= 26, iat=1361, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1367,1376,
&end
#
# 78 GLY HA+ 6 TYR HD 4.50 (# 34:26 Unique 2.73, 5.33 A)
&rst
ixpk= 34, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1200,1201,
igr2= 95, 104,
&end
#
# 3 LEU HA 6 TYR HD 2.80 (# 35:26 Unique 2.20, 4.74 A)
&rst
ixpk= 35, nxpk= 26, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 95, 104,
&end
#
# 6 TYR HA 6 TYR HD 3.50 (# 36:26 Unique 2.90, 3.60 A)
&rst
ixpk= 36, nxpk= 26, iat= 89, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 95, 104,
&end
#
# 6 TYR HB+ 6 TYR HD 2.80 (# 37:26 Unique 2.33, 3.08 A)
&rst
ixpk= 37, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 91, 92,
igr2= 95, 104,
&end
#
# 6 TYR HB- 6 TYR HD 3.50 (# 38:26 Unique 2.33, 3.08 A)
&rst
ixpk= 38, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 91, 92,
igr2= 95, 104,
&end
#
# 0 AMB 26-2:39 6 TYR HD 3.50 (# 39:26 Single Ambig)
&rst
ixpk= 39, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 8, 9, 49, 50,
igr2= 95, 104,
&end
#
# 0 AMB 26-2:40 6 TYR HD 2.80 (# 40:26 Single Ambig)
&rst
ixpk= 40, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1190,1191,1192,1769,1770,1771,
igr2= 95, 104,
&end
#
# 103 LEU HG 6 TYR HD 4.50 (# 41:26 Unique 4.61, 5.81 A)
&rst
ixpk= 41, nxpk= 26, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 95, 104,
&end
#
# 3 LEU MDX 6 TYR HD 3.50 (# 42:26 Unique 3.28, 6.95 A)
&rst
ixpk= 42, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 54, 55, 56, 58, 59, 60,
igr2= 95, 104,
&end
#
# 0 AMB 26-2:43 7 PHE HD 3.50 (# 43:26 Single Ambig)
&rst
ixpk= 43, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 192, 193, 194,2188,2189,2190,
igr2= 116, 124,
&end
#
# 81 LEU MDX 7 PHE HD 3.50 (# 44:26 Unique 3.09, 6.62 A)
&rst
ixpk= 44, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1242,1243,1244,1246,1247,1248,
igr2= 116, 124,
&end
#
# 0 AMB 26-2:45 7 PHE HD 3.50 (# 45:26 Single Ambig)
&rst
ixpk= 45, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2192,2193, 54, 55, 56, 58, 59, 60,
igr2= 116, 124,
&end
#
# 0 AMB 26-2:46 7 PHE HD 3.50 (# 46:26 Single Ambig)
&rst
ixpk= 46, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1237,1238,1209,1210,
igr2= 116, 124,
&end
#
# 3 LEU HB- 7 PHE HD 3.50 (# 47:26 Unique 2.88, 5.60 A)
&rst
ixpk= 47, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 49, 50,
igr2= 116, 124,
&end
#
# 7 PHE HB+ 7 PHE HD 2.80 (# 48:26 Unique 2.30, 3.09 A)
&rst
ixpk= 48, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 112, 113,
igr2= 116, 124,
&end
#
# 4 SER HA 7 PHE HD 3.50 (# 49:26 Unique 2.09, 4.43 A)
&rst
ixpk= 49, nxpk= 26, iat= 66, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 116, 124,
&end
#
# 80 SER HA 7 PHE HD 3.50 (# 50:26 Unique 2.04, 4.36 A)
&rst
ixpk= 50, nxpk= 26, iat=1224, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 116, 124,
&end
#
# 7 PHE HA 7 PHE HD 4.50 (# 51:26 Unique 2.55, 3.57 A)
&rst
ixpk= 51, nxpk= 26, iat= 110, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 116, 124,
&end
#
# 15 ILE QG2 27 PHE HD 4.50 (# 62:26 Unique 3.89, 5.87 A)
&rst
ixpk= 62, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 231, 232, 233,
igr2= 421, 429,
&end
#
# 15 ILE QD1 27 PHE HD 4.50 (# 64:26 Unique 2.81, 3.91 A)
&rst
ixpk= 64, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 238, 239, 240,
igr2= 421, 429,
&end
#
# 0 AMB 26-2:65 27 PHE HD 4.50 (# 65:26 Single Ambig)
&rst
ixpk= 65, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
igr2= 421, 429,
&end
#
# 18 ALA MB 27 PHE HD 3.50 (# 66:26 Unique 2.32, 5.38 A)
&rst
ixpk= 66, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 276, 277, 278,
igr2= 421, 429,
&end
#
# 19 LYS HB- 27 PHE HD 4.50 (# 67:26 Unique 4.81, 7.15 A)
&rst
ixpk= 67, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 286, 287,
igr2= 421, 429,
&end
#
# 23 GLU HG- 27 PHE HD 4.50 (# 68:26 Unique 2.21, 4.36 A)
&rst
ixpk= 68, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 364, 365,
igr2= 421, 429,
&end
#
# 0 AMB 26-2:69 27 PHE HD 4.50 (# 69:26 Single Ambig)
&rst
ixpk= 69, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 374, 437, 438,
igr2= 421, 429,
&end
#
# 18 ALA HA 27 PHE HD 3.50 (# 70:26 Unique 2.93, 5.18 A)
&rst
ixpk= 70, nxpk= 26, iat= 274, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 421, 429,
&end
#
# 21 TRP HB- 21 TRP HD1 3.50 (# 101:26 Unique 2.54, 3.19 A)
&rst
ixpk= 101, nxpk= 26, iat= -1, 324, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 320, 321,
&end
#
# 91 PRO HD+ 21 TRP HD1 3.50 (# 102:26 Unique 3.29, 4.40 A)
&rst
ixpk= 102, nxpk= 26, iat= -1, 324, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1401,1402,
&end
#
# 21 TRP HB+ 21 TRP HD1 3.50 (# 103:26 Unique 2.54, 3.19 A)
&rst
ixpk= 103, nxpk= 26, iat= -1, 324, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 320, 321,
&end
#
# 20 ASP HB+ 21 TRP HD1 4.50 (# 104:26 Unique 3.37, 4.94 A)
&rst
ixpk= 104, nxpk= 26, iat= -1, 324, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 308, 309,
&end
#
# 21 TRP HA 21 TRP HD1 4.50 (# 105:26 Unique 4.12, 4.25 A)
&rst
ixpk= 105, nxpk= 26, iat= 318, 324, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 26-2:106 21 TRP HD1 4.50 (# 106:26 Single Ambig)
&rst
ixpk= 106, nxpk= 26, iat= -1, 324, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 306,1382,
&end
#
# 22 GLN HN 21 TRP HD1 4.50 (# 107:26 Unique 2.57, 4.06 A)
&rst
ixpk= 107, nxpk= 26, iat= 340, 324, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 TRP HN 21 TRP HD1 3.50 (# 108:26 Unique 2.18, 2.37 A)
&rst
ixpk= 108, nxpk= 26, iat= 316, 324, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HE1 21 TRP HD1 2.80 (# 109:26 Unique 2.53, 2.55 A)
&rst
ixpk= 109, nxpk= 26, iat= 326, 324, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 LYS HB- 37 TYR HD 3.50 (# 135:26 Unique 2.23, 4.17 A)
&rst
ixpk= 135, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1166,1167,
igr2= 582, 591,
&end
#
# 8 PRO HG+ 37 TYR HD 3.50 (# 136:26 Unique 3.10, 5.22 A)
&rst
ixpk= 136, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 132, 133,
igr2= 582, 591,
&end
#
# 0 AMB 26-2:137 37 TYR HD 3.50 (# 137:26 Single Ambig)
&rst
ixpk= 137, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 545, 546, 548, 549,
igr2= 582, 591,
&end
#
# 35 LYS HB- 37 TYR HD 3.50 (# 138:26 Unique 2.07, 4.75 A)
&rst
ixpk= 138, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 542, 543,
igr2= 582, 591,
&end
#
# 35 LYS HB+ 37 TYR HD 2.80 (# 139:26 Unique 2.07, 4.75 A)
&rst
ixpk= 139, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 542, 543,
igr2= 582, 591,
&end
#
# 37 TYR HB- 37 TYR HD 3.50 (# 140:26 Unique 2.32, 3.08 A)
&rst
ixpk= 140, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 578, 579,
igr2= 582, 591,
&end
#
# 78 GLY HA- 37 TYR HD 4.50 (# 141:26 Unique 2.74, 4.90 A)
&rst
ixpk= 141, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1200,1201,
igr2= 582, 591,
&end
#
# 37 TYR HA 37 TYR HD 3.50 (# 142:26 Unique 3.04, 3.63 A)
&rst
ixpk= 142, nxpk= 26, iat= 576, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 582, 591,
&end
#
# 78 GLY HA+ 37 TYR HD 3.50 (# 143:26 Unique 2.74, 4.90 A)
&rst
ixpk= 143, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1200,1201,
igr2= 582, 591,
&end
#
# 105 ALA HA 37 TYR HD 5.50 (# 145:26 Unique 5.36, 7.62 A)
&rst
ixpk= 145, nxpk= 26, iat=1613, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 582, 591,
&end
#
# 37 TYR HN 37 TYR HD 4.50 (# 147:26 Unique 2.55, 3.88 A)
&rst
ixpk= 147, nxpk= 26, iat= 574, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 582, 591,
&end
#
# 89 TYR HB- 89 TYR HD 3.50 (# 191:26 Unique 2.30, 3.09 A)
&rst
ixpk= 191, nxpk= 26, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1363,1364,
igr2=1367,1376,
&end
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