NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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492483 |
2kcw   |
16098 | cing | 1-original | 2 | AMBER | distance | NOE | ambi |
#
# 53 TRP HZ3 53 TRP HH2 4.50 (# 0:20 Unique 2.44, 2.44 A)
&rst
ixpk= 0, nxpk= 20, iat= 861, 859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 53 TRP HZ2 53 TRP HH2 4.50 (# 1:20 Unique 2.46, 2.46 A)
&rst
ixpk= 1, nxpk= 20, iat= 857, 859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:6 53 TRP HD1 5.50 (# 6:20 Single Ambig)
&rst
ixpk= 6, nxpk= 20, iat= -1, 852, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1060,1061,1062,1089,1090,
&end
#
# 53 TRP HE1 53 TRP HD1 4.50 (# 8:20 Unique 2.57, 2.57 A)
&rst
ixpk= 8, nxpk= 20, iat= 854, 852, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 PHE HD 122 PHE HE 4.50 (# 10:20 Unique 2.46, 3.69 A)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1900,1908,
igr2=1902,1906,
&end
#
# 92 VAL MGY 122 PHE HE 5.50 (# 11:20 Unique 2.51, 5.60 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1444,1445,1446,1448,1449,1450,
igr2=1902,1906,
&end
#
# 120 VAL MGX 122 PHE HE 5.50 (# 12:20 Unique 2.80, 6.06 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1875,1876,1877,1879,1880,1881,
igr2=1902,1906,
&end
#
# 0 AMB 20-2:14 116 PHE HE 5.50 (# 14:20 Single Ambig)
&rst
ixpk= 14, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
1880,1881,
igr2=1794,1798,
&end
#
# 117 TYR HA 117 TYR HD 5.50 (# 15:20 Unique 2.62, 3.40 A)
&rst
ixpk= 15, nxpk= 20, iat=1806, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1812,1821,
&end
#
# 0 AMB 20-2:16 117 TYR HD 5.50 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1808,1809,1808,1809,
igr2=1812,1821,
&end
#
# 120 VAL MGX 117 TYR HD 5.50 (# 17:20 Unique 4.56, 7.26 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1875,1876,1877,1879,1880,1881,
igr2=1812,1821,
&end
#
# 142 LEU MDY 117 TYR HD 5.50 (# 18:20 Unique 2.00, 5.33 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2219,2220,2221,2223,2224,2225,
igr2=1812,1821,
&end
#
# 116 PHE HE 116 PHE HD 5.50 (# 19:20 Unique 2.46, 3.69 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1794,1798,
igr2=1792,1800,
&end
#
# 116 PHE HB+ 116 PHE HD 5.50 (# 21:20 Unique 2.33, 3.03 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1788,1789,
igr2=1792,1800,
&end
#
# 16 LEU HB- 65 PHE HD 5.50 (# 25:20 Unique 2.56, 4.67 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 257, 258,
igr2=1037,1045,
&end
#
# 0 AMB 20-2:27 0 AMB 20-1:27 4.50 (# 27:20 Double Ambig)
&rst
ixpk= 27, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.80, r4= 9.55,
igr1= 497, 498, 499, 501, 502, 503, 626, 627, 628, 630,
631, 632,1692,1693,
igr2= 551, 560, 476, 484,
&end
#
# 0 AMB 20-2:28 0 AMB 20-1:28 7.00 (# 28:20 Double Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
igr1= 606, 607,1695,1696,
igr2= 551, 560, 476, 484,
&end
#
# 35 TYR HA 35 TYR HD 4.50 (# 29:20 Unique 2.00, 3.24 A)
&rst
ixpk= 29, nxpk= 20, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 551, 560,
&end
#
# 35 TYR HE 35 TYR HD 4.50 (# 30:20 Unique 2.46, 3.69 A)
&rst
ixpk= 30, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 553, 558,
igr2= 551, 560,
&end
#
# 122 PHE HB- 122 PHE HD 5.50 (# 32:20 Unique 2.29, 3.04 A)
&rst
ixpk= 32, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1896,1897,
igr2=1900,1908,
&end
#
# 122 PHE HB+ 122 PHE HD 5.50 (# 33:20 Unique 2.29, 3.04 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1896,1897,
igr2=1900,1908,
&end
#
# 0 AMB 20-2:34 122 PHE HD 5.50 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1892,1615,
igr2=1900,1908,
&end
#
# 0 AMB 20-2:35 144 TYR HD 4.50 (# 35:20 Single Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
1510,1511,
igr2=2247,2256,
&end
#
# 144 TYR HB- 144 TYR HD 5.50 (# 36:20 Unique 2.30, 3.05 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2243,2244,
igr2=2247,2256,
&end
#
# 144 TYR HB+ 144 TYR HD 4.50 (# 37:20 Unique 2.30, 3.05 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2243,2244,
igr2=2247,2256,
&end
#
# 144 TYR HE 144 TYR HD 3.50 (# 39:20 Unique 2.46, 3.69 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2249,2254,
igr2=2247,2256,
&end
#
# 122 PHE HE 144 TYR HD 5.50 (# 40:20 Unique 3.60, 6.07 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1902,1906,
igr2=2247,2256,
&end
#
# 135 LYS HB+ 137 TYR HD 5.50 (# 41:20 Unique 3.24, 6.24 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2091,2092,
igr2=2131,2140,
&end
#
# 0 AMB 20-2:42 137 TYR HD 5.50 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2127,2128,2127,2128,
igr2=2131,2140,
&end
#
# 0 AMB 20-2:43 137 TYR HD 4.50 (# 43:20 Single Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1700,1701,2133,2138,
igr2=2131,2140,
&end
#
# 35 TYR HD 137 TYR HD 5.50 (# 44:20 Unique 2.72, 6.39 A)
&rst
ixpk= 44, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 551, 560,
igr2=2131,2140,
&end
#
# 53 TRP HH2 53 TRP HZ2 4.50 (# 45:20 Unique 2.46, 2.46 A)
&rst
ixpk= 45, nxpk= 20, iat= 859, 857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 TRP HE1 53 TRP HZ2 5.50 (# 47:20 Unique 2.82, 2.82 A)
&rst
ixpk= 47, nxpk= 20, iat= 854, 857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 VAL MGY 117 TYR HE 5.50 (# 48:20 Unique 4.14, 5.89 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1649,1650,1651,1653,1654,1655,
igr2=1814,1819,
&end
#
# 0 AMB 20-2:49 117 TYR HE 5.50 (# 49:20 Single Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1204,1205,1206,1208,1209,1210,1444,1445,1446,1448,
1449,1450,
igr2=1814,1819,
&end
#
# 116 PHE HE 117 TYR HE 5.50 (# 51:20 Unique 4.43, 7.66 A)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1794,1798,
igr2=1814,1819,
&end
#
# 144 TYR HD 144 TYR HE 3.50 (# 52:20 Unique 2.46, 3.69 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2247,2256,
igr2=2249,2254,
&end
#
# 0 AMB 20-2:53 144 TYR HE 7.00 (# 53:20 Single Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
1880,1881,
igr2=2249,2254,
&end
#
# 35 TYR HD 35 TYR HE 3.50 (# 54:20 Unique 2.46, 3.69 A)
&rst
ixpk= 54, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 551, 560,
igr2= 553, 558,
&end
#
# 135 LYS HD- 35 TYR HE 5.50 (# 55:20 Unique 2.25, 4.51 A)
&rst
ixpk= 55, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2097,2098,
igr2= 553, 558,
&end
#
# 39 LEU MDX 35 TYR HE 5.50 (# 56:20 Unique 2.51, 5.67 A)
&rst
ixpk= 56, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 553, 558,
&end
#
# 39 LEU MDY 35 TYR HE 5.50 (# 57:20 Unique 2.51, 5.67 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 628, 630, 631, 632,
igr2= 553, 558,
&end
#
# 74 ASP HA 72 HIS HD2 5.50 (# 59:20 Unique 3.03, 3.40 A)
&rst
ixpk= 59, nxpk= 20, iat=1175,1152, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:61 144 TYR HE 5.50 (# 61:20 Single Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
1510,1511,
igr2=2249,2254,
&end
#
# 30 PHE HB- 30 PHE HD 5.50 (# 62:20 Unique 2.29, 3.04 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 472, 473,
igr2= 476, 484,
&end
#
# 30 PHE HB+ 30 PHE HD 7.00 (# 63:20 Unique 2.29, 3.04 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1= 472, 473,
igr2= 476, 484,
&end
#
# 122 PHE HE 122 PHE HD 3.50 (# 66:20 Unique 2.46, 3.69 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1902,1906,
igr2=1900,1908,
&end
#
# 116 PHE HE 116 PHE HD 5.50 (# 67:20 Unique 2.46, 3.69 A)
&rst
ixpk= 67, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1794,1798,
igr2=1792,1800,
&end
#
# 52 LEU MDX 65 PHE HD 5.50 (# 68:20 Unique 2.00, 4.69 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 834, 835, 836, 838, 839, 840,
igr2=1037,1045,
&end
#
# 4 SER HB+ 94 HIS HE1 5.50 (# 69:20 Unique 5.82, 6.35 A)
&rst
ixpk= 69, nxpk= 20, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 60, 61,
&end
#
# 133 LEU HG 35 TYR HE 5.50 (# 71:20 Unique 5.55, 7.12 A)
&rst
ixpk= 71, nxpk= 20, iat=2068, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 553, 558,
&end
#
# 137 TYR HD 137 TYR HE 7.00 (# 76:20 Unique 2.46, 3.69 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=2131,2140,
igr2=2133,2138,
&end
#
# 32 SER HN 137 TYR HE 7.00 (# 77:20 Unique 2.96, 6.14 A)
&rst
ixpk= 77, nxpk= 20, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
igr2=2133,2138,
&end
#
# 0 AMB 20-2:78 122 PHE HD 7.00 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
1880,1881,
igr2=1900,1908,
&end
#
# 112 GLN HE2- 30 PHE HE 7.00 (# 79:20 Unique 2.14, 5.87 A)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
igr1=1746,1747,
igr2= 478, 482,
&end
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