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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492470 |
2kc5   |
16061 | cing | 1-original | 2 | AMBER | distance | NOE | ambi |
#
# 36 PRO HA 35 HIS HD2 5.50 (# 0:20 Unique 3.15, 4.98 A)
&rst
ixpk= 0, nxpk= 20, iat= 559, 545, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 89 TYR HE 89 TYR HD 4.50 (# 4:20 Unique 2.44, 3.73 A)
&rst
ixpk= 4, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1403,1408,
igr2=1401,1410,
&end
#
# 0 AMB 20-3:5 89 TYR HD 5.50 (# 5:20 Single Ambig)
&rst
ixpk= 5, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1395,1416,1417,
igr2=1401,1410,
&end
#
# 0 AMB 20-3:7 89 TYR HD 5.50 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1397,1398,2046,2047,2046,2047,
igr2=1401,1410,
&end
#
# 0 AMB 20-3:8 89 TYR HD 5.50 (# 8:20 Single Ambig)
&rst
ixpk= 8, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1446,1447,1448,2060,1364,1365,2050,2051,2052,
igr2=1401,1410,
&end
#
# 65 VAL MGY 105 TYR HD 5.50 (# 15:20 Unique 2.26, 6.07 A)
&rst
ixpk= 15, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 999,1000,1001,1003,1004,1005,
igr2=1628,1637,
&end
#
# 105 TYR HB- 105 TYR HD 5.50 (# 16:20 Unique 2.29, 3.10 A)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1624,1625,
igr2=1628,1637,
&end
#
# 0 AMB 20-3:17 105 TYR HD 5.50 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1624,1625, 997,
igr2=1628,1637,
&end
#
# 105 TYR HN 105 TYR HD 5.50 (# 18:20 Unique 2.01, 3.79 A)
&rst
ixpk= 18, nxpk= 20, iat=1620, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1628,1637,
&end
#
# 0 AMB 20-3:19 41 TYR HD 5.50 (# 19:20 Single Ambig)
&rst
ixpk= 19, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 631, 636, 254, 255,
igr2= 629, 638,
&end
#
# 127 THR HB 41 TYR HD 5.50 (# 20:20 Unique 2.25, 4.61 A)
&rst
ixpk= 20, nxpk= 20, iat=1960, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 629, 638,
&end
#
# 57 ILE MG2 41 TYR HD 5.50 (# 22:20 Unique 2.48, 5.11 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 871, 872, 873,
igr2= 629, 638,
&end
#
# 0 AMB 20-3:26 48 PHE HD 5.50 (# 26:20 Single Ambig)
&rst
ixpk= 26, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 823, 824, 825, 761, 762, 758, 759,
igr2= 742, 750,
&end
#
# 88 PRO HD+ 48 PHE HD 5.50 (# 28:20 Unique 2.27, 5.14 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1380,1381,
igr2= 742, 750,
&end
#
# 0 AMB 20-3:34 94 PHE HE 5.50 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1439,1440,1446,1447,1448,1675,1676,
igr2=1476,1480,
&end
#
# 154 PHE HB+ 154 PHE HD 5.50 (# 35:20 Unique 2.32, 3.09 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2372,2373,
igr2=2376,2384,
&end
#
# 154 PHE HA 154 PHE HD 5.50 (# 36:20 Unique 2.34, 3.62 A)
&rst
ixpk= 36, nxpk= 20, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2376,2384,
&end
#
# 0 AMB 20-3:39 20 PHE HD 5.50 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 283, 284, 283, 284,
igr2= 287, 295,
&end
#
# 45 PHE HB+ 45 PHE HD 5.50 (# 44:20 Unique 2.29, 3.07 A)
&rst
ixpk= 44, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 685, 686,
igr2= 689, 697,
&end
#
# 54 GLY HA- 45 PHE HD 5.50 (# 45:20 Unique 2.01, 4.99 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 833, 834,
igr2= 689, 697,
&end
#
# 55 CYS HB+ 45 PHE HE 5.50 (# 47:20 Unique 2.67, 6.09 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 842, 843,
igr2= 691, 695,
&end
#
# 65 VAL MGY 65 VAL HA 5.50 (# 62:20 Unique 2.37, 3.49 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 66 ILE HN 65 VAL HA 5.50 (# 63:20 Unique 2.23, 2.28 A)
&rst
ixpk= 63, nxpk= 20, iat=1009, 995, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-3:64 41 TYR HE 5.50 (# 64:20 Single Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 184, 185, 648, 649, 650, 652, 653, 654,
igr2= 631, 636,
&end
#
# 127 THR HB 41 TYR HE 5.50 (# 65:20 Unique 2.19, 4.66 A)
&rst
ixpk= 65, nxpk= 20, iat=1960, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 631, 636,
&end
#
# 41 TYR HD 41 TYR HE 5.50 (# 67:20 Unique 2.47, 3.73 A)
&rst
ixpk= 67, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 629, 638,
igr2= 631, 636,
&end
#
# 0 AMB 20-3:69 89 TYR HE 5.50 (# 69:20 Single Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2046,2047,2046,2047,
igr2=1403,1408,
&end
#
# 89 TYR HD 89 TYR HE 4.50 (# 70:20 Unique 2.44, 3.73 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1401,1410,
igr2=1403,1408,
&end
#
# 0 AMB 20-3:71 89 TYR HE 5.50 (# 71:20 Single Ambig)
&rst
ixpk= 71, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=2050,2051,2052,1446,1447,1448,2060,
igr2=1403,1408,
&end
#
# 0 AMB 20-3:74 41 TYR HD 5.50 (# 74:20 Single Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 190, 191, 190, 191,
igr2= 629, 638,
&end
#
# 47 LEU HA 48 PHE HD 5.50 (# 75:20 Unique 3.73, 5.95 A)
&rst
ixpk= 75, nxpk= 20, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 742, 750,
&end
#
# 45 PHE HN 45 PHE HD 5.50 (# 80:20 Unique 2.67, 4.10 A)
&rst
ixpk= 80, nxpk= 20, iat= 681, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 689, 697,
&end
#
# 61 MET HB- 60 TRP HD1 5.50 (# 81:20 Unique 3.41, 5.77 A)
&rst
ixpk= 81, nxpk= 20, iat= -1, 920, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 940, 941,
&end
#
# 0 AMB 20-3:87 74 TRP HD1 5.50 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1,1139, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1159,1160,1159,1160,
&end
#
# 74 TRP HE1 74 TRP HD1 5.50 (# 88:20 Unique 2.53, 2.55 A)
&rst
ixpk= 88, nxpk= 20, iat=1141,1139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 VAL MGY 105 TYR HE 5.50 (# 91:20 Unique 2.26, 5.77 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 999,1000,1001,1003,1004,1005,
igr2=1630,1635,
&end
#
# 108 CYS HN 107 SER HA 5.50 (# 92:20 Unique 2.26, 2.31 A)
&rst
ixpk= 92, nxpk= 20, iat=1671,1662, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 VAL MGY 107 SER HA 5.50 (# 93:20 Unique 2.44, 4.85 A)
&rst
ixpk= 93, nxpk= 20, iat= -1,1662, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 999,1000,1001,1003,1004,1005,
&end
#
# 20 PHE HD 60 TRP HZ2 5.50 (# 94:20 Unique 2.57, 5.46 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 287, 295,
&end
#
# 40 VAL MGX 60 TRP HZ2 5.50 (# 95:20 Unique 5.48, 7.76 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 611, 612, 613, 615, 616, 617,
&end
#
# 0 AMB 20-3:96 60 TRP HZ2 5.50 (# 96:20 Single Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, 925, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 352, 353, 354, 947, 948, 949,
&end
#
# 41 TYR HB+ 41 TYR HD 5.50 (# 101:20 Unique 2.34, 3.08 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 625, 626,
igr2= 629, 638,
&end
#
# 74 TRP HA 74 TRP HD1 5.50 (# 102:20 Unique 2.33, 2.67 A)
&rst
ixpk= 102, nxpk= 20, iat=1133,1139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 TYR HE 105 TYR HD 5.50 (# 105:20 Unique 2.44, 3.72 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1630,1635,
igr2=1628,1637,
&end
#
# 60 TRP HE1 60 TRP HD1 5.50 (# 107:20 Unique 2.52, 2.55 A)
&rst
ixpk= 107, nxpk= 20, iat= 922, 920, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-3:111 45 PHE HE 5.50 (# 111:20 Single Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 831, 681,
igr2= 691, 695,
&end
#
# 128 ASP HA 45 PHE HD 5.50 (# 112:20 Unique 4.97, 6.40 A)
&rst
ixpk= 112, nxpk= 20, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 689, 697,
&end
#
# 128 ASP HA 45 PHE HE 5.50 (# 113:20 Unique 2.54, 5.51 A)
&rst
ixpk= 113, nxpk= 20, iat=1972, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 691, 695,
&end
#
# 45 PHE HA 45 PHE HD 5.50 (# 114:20 Unique 2.82, 3.89 A)
&rst
ixpk= 114, nxpk= 20, iat= 683, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 689, 697,
&end
#
# 55 CYS HA 45 PHE HE 5.50 (# 115:20 Unique 3.85, 6.85 A)
&rst
ixpk= 115, nxpk= 20, iat= 840, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 691, 695,
&end
#
# 8 PHE HN 8 PHE HD 5.50 (# 116:20 Unique 2.28, 3.75 A)
&rst
ixpk= 116, nxpk= 20, iat= 101, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 117,
&end
#
# 9 GLN HB- 8 PHE HD 5.50 (# 118:20 Unique 5.73, 7.62 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 125, 126,
igr2= 109, 117,
&end
#
# 20 PHE HA 20 PHE HD 5.50 (# 120:20 Unique 2.36, 3.28 A)
&rst
ixpk= 120, nxpk= 20, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 287, 295,
&end
#
# 20 PHE HN 20 PHE HD 5.50 (# 121:20 Unique 3.04, 4.11 A)
&rst
ixpk= 121, nxpk= 20, iat= 279, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 287, 295,
&end
#
# 154 PHE HA 154 PHE HD 5.50 (# 124:20 Unique 2.34, 3.62 A)
&rst
ixpk= 124, nxpk= 20, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2376,2384,
&end
#
# 0 AMB 20-3:125 94 PHE HD 5.50 (# 125:20 Single Ambig)
&rst
ixpk= 125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1331, 987, 988, 989,
igr2=1474,1482,
&end
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