NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16630 |
2ai6   |
6625 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 120 TRP HE1 120 TRP HZ2 3.50 (# 0:25 Unique 2.89, 2.90 A)
&rst
ixpk= 0, nxpk= 25, iat=1827,1830, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 120 TRP HE1 120 TRP HD1 2.80 (# 1:25 Unique 2.54, 2.55 A)
&rst
ixpk= 1, nxpk= 25, iat=1827,1825, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 TRP HE1 49 TRP HD1 2.80 (# 2:25 Unique 2.55, 2.55 A)
&rst
ixpk= 2, nxpk= 25, iat= 744, 742, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 TRP HE1 49 TRP HZ2 4.50 (# 3:25 Unique 2.90, 2.90 A)
&rst
ixpk= 3, nxpk= 25, iat= 744, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 HIS HN 28 HIS HD2 3.50 (# 4:25 Unique 2.52, 2.96 A)
&rst
ixpk= 4, nxpk= 25, iat= 424, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 TYR HN 91 TYR HD 3.50 (# 5:25 Unique 2.14, 3.81 A)
&rst
ixpk= 5, nxpk= 25, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1375,1384,
&end
#
# 52 TYR HN 52 TYR HD 4.50 (# 6:25 Unique 3.15, 3.69 A)
&rst
ixpk= 6, nxpk= 25, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 791, 800,
&end
#
# 120 TRP HN 120 TRP HD1 4.50 (# 7:25 Unique 2.60, 2.66 A)
&rst
ixpk= 7, nxpk= 25, iat=1817,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:9 97 TYR HD 4.50 (# 9:25 Single Ambig)
&rst
ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1454,1129,
igr2=1462,1471,
&end
#
# 92 GLY HN 91 TYR HD 3.50 (# 10:25 Unique 3.20, 4.11 A)
&rst
ixpk= 10, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1375,1384,
&end
#
# 52 TYR HD 52 TYR HE 2.80 (# 15:25 Unique 2.48, 3.73 A)
&rst
ixpk= 15, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 791, 800,
igr2= 793, 798,
&end
#
# 120 TRP HZ2 120 TRP HH2 2.80 (# 20:25 Unique 2.49, 2.49 A)
&rst
ixpk= 20, nxpk= 25, iat=1830,1832, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 TRP HE3 49 TRP HZ3 4.50 (# 24:25 Unique 2.45, 2.46 A)
&rst
ixpk= 24, nxpk= 25, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ASP HN 52 TYR HD 5.50 (# 26:25 Unique 2.50, 4.15 A)
&rst
ixpk= 26, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 791, 800,
&end
#
# 100 ALA HN 102 HIS HE1 4.50 (# 27:25 Unique 2.80, 2.86 A)
&rst
ixpk= 27, nxpk= 25, iat=1496,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 TRP HH2 49 TRP HZ2 3.50 (# 42:25 Unique 2.48, 2.49 A)
&rst
ixpk= 42, nxpk= 25, iat= 749, 747, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 TYR HD 93 TYR HE 2.80 (# 43:25 Unique 2.46, 3.72 A)
&rst
ixpk= 43, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1403,1412,
igr2=1405,1410,
&end
#
# 57 TYR HD 57 TYR HE 2.80 (# 46:25 Unique 2.46, 3.72 A)
&rst
ixpk= 46, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 870, 879,
igr2= 872, 877,
&end
#
# 52 TYR HE 52 TYR HD 2.80 (# 47:25 Unique 2.48, 3.73 A)
&rst
ixpk= 47, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 793, 798,
igr2= 791, 800,
&end
#
# 49 TRP HZ3 49 TRP HE3 4.50 (# 48:25 Unique 2.45, 2.46 A)
&rst
ixpk= 48, nxpk= 25, iat= 751, 753, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 TYR HD 97 TYR HE 2.80 (# 56:25 Unique 2.46, 3.73 A)
&rst
ixpk= 56, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1462,1471,
igr2=1464,1469,
&end
#
# 93 TYR HE 93 TYR HD 2.80 (# 57:25 Unique 2.46, 3.72 A)
&rst
ixpk= 57, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1405,1410,
igr2=1403,1412,
&end
#
# 47 TYR HD 47 TYR HE 2.80 (# 67:25 Unique 2.47, 3.73 A)
&rst
ixpk= 67, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 699, 708,
igr2= 701, 706,
&end
#
# 125 TYR HE 125 TYR HD 2.80 (# 69:25 Unique 2.47, 3.73 A)
&rst
ixpk= 69, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1894,1899,
igr2=1892,1901,
&end
#
# 57 TYR HE 57 TYR HD 2.80 (# 72:25 Unique 2.46, 3.72 A)
&rst
ixpk= 72, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 872, 877,
igr2= 870, 879,
&end
#
# 97 TYR HE 97 TYR HD 2.80 (# 74:25 Unique 2.46, 3.73 A)
&rst
ixpk= 74, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1464,1469,
igr2=1462,1471,
&end
#
# 47 TYR HE 47 TYR HD 3.50 (# 75:25 Unique 2.47, 3.73 A)
&rst
ixpk= 75, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 701, 706,
igr2= 699, 708,
&end
#
# 102 HIS HD2 102 HIS HE1 4.50 (# 77:25 Unique 4.22, 4.23 A)
&rst
ixpk= 77, nxpk= 25, iat=1536,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 TYR HE 91 TYR HD 2.80 (# 78:25 Unique 2.43, 3.71 A)
&rst
ixpk= 78, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1377,1382,
igr2=1375,1384,
&end
#
# 125 TYR HD 125 TYR HE 2.80 (# 79:25 Unique 2.47, 3.73 A)
&rst
ixpk= 79, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1892,1901,
igr2=1894,1899,
&end
#
# 122 ASN HA 120 TRP HE3 3.50 (# 87:25 Unique 2.98, 3.27 A)
&rst
ixpk= 87, nxpk= 25, iat=1853,1836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 PHE HA 20 PHE HD 4.50 (# 88:25 Unique 2.37, 4.10 A)
&rst
ixpk= 88, nxpk= 25, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 275, 283,
&end
#
# 97 TYR HA 97 TYR HD 2.80 (# 103:25 Unique 2.32, 3.54 A)
&rst
ixpk= 103, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1462,1471,
&end
#
# 52 TYR HA 52 TYR HD 3.50 (# 104:25 Unique 3.71, 4.15 A)
&rst
ixpk= 104, nxpk= 25, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 791, 800,
&end
#
# 119 THR HB 89 HIS HE1 5.50 (# 105:25 Unique 3.09, 4.14 A)
&rst
ixpk= 105, nxpk= 25, iat=1807,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:106 93 TYR HE 5.50 (# 106:25 Single Ambig)
&rst
ixpk= 106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1429,1886,
igr2=1405,1410,
&end
#
# 0 AMB 25-2:108 125 TYR HD 4.50 (# 108:25 Single Ambig)
&rst
ixpk= 108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1886,1390,1391,
igr2=1892,1901,
&end
#
# 77 GLY HA+ 102 HIS HE1 4.50 (# 109:25 Unique 3.70, 4.33 A)
&rst
ixpk= 109, nxpk= 25, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1138,1139,
&end
#
# 106 THR HB 120 TRP HD1 4.50 (# 110:25 Unique 3.69, 3.97 A)
&rst
ixpk= 110, nxpk= 25, iat=1584,1825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 TYR HB- 52 TYR HD 3.50 (# 111:25 Unique 2.41, 3.06 A)
&rst
ixpk= 111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 787, 788,
igr2= 791, 800,
&end
#
# 77 GLY HA- 102 HIS HE1 4.50 (# 112:25 Unique 3.70, 4.33 A)
&rst
ixpk= 112, nxpk= 25, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1138,1139,
&end
#
# 56 ILE HA 49 TRP HH2 5.50 (# 113:25 Unique 2.84, 3.34 A)
&rst
ixpk= 113, nxpk= 25, iat= 845, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLY HA- 91 TYR HE 3.50 (# 114:25 Unique 3.23, 5.38 A)
&rst
ixpk= 114, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1879,1880,
igr2=1377,1382,
&end
#
# 57 TYR HA 57 TYR HD 3.50 (# 115:25 Unique 2.25, 3.44 A)
&rst
ixpk= 115, nxpk= 25, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 870, 879,
&end
#
# 49 TRP HB+ 49 TRP HD1 4.50 (# 116:25 Unique 2.50, 3.09 A)
&rst
ixpk= 116, nxpk= 25, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 738, 739,
&end
#
# 93 TYR HB+ 93 TYR HD 4.50 (# 117:25 Unique 2.34, 3.08 A)
&rst
ixpk= 117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1399,1400,
igr2=1403,1412,
&end
#
# 0 AMB 25-2:118 97 TYR HD 4.50 (# 118:25 Single Ambig)
&rst
ixpk= 118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1420,1421,1131,1132,
igr2=1462,1471,
&end
#
# 49 TRP HB- 49 TRP HD1 3.50 (# 119:25 Unique 2.50, 3.09 A)
&rst
ixpk= 119, nxpk= 25, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 738, 739,
&end
#
# 0 AMB 25-2:120 57 TYR HD 3.50 (# 120:25 Single Ambig)
&rst
ixpk= 120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 867, 937, 938,
igr2= 870, 879,
&end
#
# 26 ARG HD+ 28 HIS HE1 3.50 (# 121:25 Unique 2.44, 3.45 A)
&rst
ixpk= 121, nxpk= 25, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 394, 395,
&end
#
# 91 TYR HB+ 91 TYR HD 3.50 (# 122:25 Unique 2.29, 3.11 A)
&rst
ixpk= 122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1371,1372,
igr2=1375,1384,
&end
#
# 0 AMB 25-2:124 120 TRP HD1 3.50 (# 124:25 Single Ambig)
&rst
ixpk= 124, nxpk= 25, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1821,1822,1821,1822,1542,
&end
#
# 97 TYR HB+ 97 TYR HD 3.50 (# 125:25 Unique 2.34, 3.09 A)
&rst
ixpk= 125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1458,1459,
igr2=1462,1471,
&end
#
# 125 TYR HB+ 125 TYR HD 4.50 (# 127:25 Unique 2.40, 3.08 A)
&rst
ixpk= 127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1888,1889,
igr2=1892,1901,
&end
#
# 57 TYR HB2 57 TYR HD 3.50 (# 129:25 Unique 2.75, 3.14 A)
&rst
ixpk= 129, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 870, 879,
&end
#
# 52 TYR HB+ 52 TYR HD 3.50 (# 130:25 Unique 2.41, 3.06 A)
&rst
ixpk= 130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 787, 788,
igr2= 791, 800,
&end
#
# 71 CYS HB3 57 TYR HE 4.50 (# 131:25 Unique 2.88, 5.37 A)
&rst
ixpk= 131, nxpk= 25, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 872, 877,
&end
#
# 91 TYR HB- 91 TYR HD 3.50 (# 133:25 Unique 2.29, 3.11 A)
&rst
ixpk= 133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1371,1372,
igr2=1375,1384,
&end
#
# 102 HIS HB2 120 TRP HE3 4.50 (# 134:25 Unique 2.12, 2.26 A)
&rst
ixpk= 134, nxpk= 25, iat=1527,1836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 TYR HB- 125 TYR HD 4.50 (# 136:25 Unique 2.40, 3.08 A)
&rst
ixpk= 136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1888,1889,
igr2=1892,1901,
&end
#
# 93 TYR HB- 93 TYR HD 3.50 (# 138:25 Unique 2.34, 3.08 A)
&rst
ixpk= 138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1399,1400,
igr2=1403,1412,
&end
#
# 59 LYS HB+ 49 TRP HH2 3.50 (# 139:25 Unique 2.70, 3.55 A)
&rst
ixpk= 139, nxpk= 25, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 899, 900,
&end
#
# 51 GLU HB- 52 TYR HD 3.50 (# 140:25 Unique 2.51, 4.75 A)
&rst
ixpk= 140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 772, 773,
igr2= 791, 800,
&end
#
# 0 AMB 25-2:141 52 TYR HE 4.50 (# 141:25 Single Ambig)
&rst
ixpk= 141, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 772, 773, 775, 776,
igr2= 793, 798,
&end
#
# 0 AMB 25-2:142 97 TYR HD 3.50 (# 142:25 Single Ambig)
&rst
ixpk= 142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1458,1459,1096,1097,
igr2=1462,1471,
&end
#
# 51 GLU HB+ 52 TYR HD 3.50 (# 143:25 Unique 2.51, 4.75 A)
&rst
ixpk= 143, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 772, 773,
igr2= 791, 800,
&end
#
# 0 AMB 25-2:144 52 TYR HE 3.50 (# 144:25 Single Ambig)
&rst
ixpk= 144, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 772, 773, 775, 776,
igr2= 793, 798,
&end
#
# 121 ALA MB 89 HIS HE1 3.50 (# 145:25 Unique 2.22, 3.50 A)
&rst
ixpk= 145, nxpk= 25, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1845,1846,1847,
&end
#
# 0 AMB 25-2:146 47 TYR HE 4.50 (# 146:25 Single Ambig)
&rst
ixpk= 146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 665, 667, 668,
igr2= 701, 706,
&end
#
# 54 ALA MB 97 TYR HE 4.50 (# 147:25 Unique 2.57, 5.05 A)
&rst
ixpk= 147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 825, 826, 827,
igr2=1464,1469,
&end
#
# 106 THR MG2 120 TRP HD1 3.50 (# 148:25 Unique 2.23, 3.40 A)
&rst
ixpk= 148, nxpk= 25, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1586,1587,1588,
&end
#
# 103 ALA MB 120 TRP HZ2 3.50 (# 149:25 Unique 2.58, 3.78 A)
&rst
ixpk= 149, nxpk= 25, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1544,1545,1546,
&end
#
# 0 AMB 25-2:150 47 TYR HE 3.50 (# 150:25 Single Ambig)
&rst
ixpk= 150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929,
igr2= 701, 706,
&end
#
# 0 AMB 25-2:151 22 TYR HE 3.50 (# 151:25 Single Ambig)
&rst
ixpk= 151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 355, 356, 357, 359, 360, 361, 336, 337, 338, 340,
341, 342,
igr2= 319, 324,
&end
#
# 0 AMB 25-2:152 57 TYR HD 2.80 (# 152:25 Single Ambig)
&rst
ixpk= 152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342,
igr2= 870, 879,
&end
#
# 0 AMB 25-2:153 97 TYR HD 3.50 (# 153:25 Single Ambig)
&rst
ixpk= 153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,1448,1449,1450,
igr2=1462,1471,
&end
#
# 0 AMB 25-2:154 57 TYR HE 3.50 (# 154:25 Single Ambig)
&rst
ixpk= 154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 371, 372, 373, 336, 337, 338, 340, 341, 342, 336,
337, 338, 340, 341, 342,
igr2= 872, 877,
&end
#
# 0 AMB 25-2:155 97 TYR HE 2.80 (# 155:25 Single Ambig)
&rst
ixpk= 155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1448,1449,1450, 336, 337, 338, 340, 341, 342, 336,
337, 338, 340, 341, 342,
igr2=1464,1469,
&end
#
# 56 ILE QD1 47 TYR HD 3.50 (# 156:25 Unique 3.67, 6.37 A)
&rst
ixpk= 156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 856, 857, 858,
igr2= 699, 708,
&end
#
# 100 ALA MB 102 HIS HE1 3.50 (# 157:25 Unique 3.64, 4.71 A)
&rst
ixpk= 157, nxpk= 25, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1500,1501,1502,
&end
#
# 90 VAL MGX 102 HIS HD2 2.80 (# 158:25 Unique 2.18, 4.25 A)
&rst
ixpk= 158, nxpk= 25, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:160 120 TRP HE3 4.50 (# 160:25 Single Ambig)
&rst
ixpk= 160, nxpk= 25, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1834,1832,
&end
#
# 0 AMB 25-2:162 22 TYR HE 5.50 (# 162:25 Single Ambig)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 332, 686, 687,
igr2= 319, 324,
&end
#
# 0 AMB 25-2:164 28 HIS HD2 5.50 (# 164:25 Single Ambig)
&rst
ixpk= 164, nxpk= 25, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 426, 386,
&end
#
# 51 GLU HA 52 TYR HD 5.50 (# 165:25 Unique 4.44, 5.92 A)
&rst
ixpk= 165, nxpk= 25, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 791, 800,
&end
#
# 73 CYS HA 57 TYR HD 4.50 (# 166:25 Unique 3.71, 5.24 A)
&rst
ixpk= 166, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 870, 879,
&end
#
# 0 AMB 25-2:168 93 TYR HD 5.50 (# 168:25 Single Ambig)
&rst
ixpk= 168, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1886,1390,1391,
igr2=1403,1412,
&end
#
# 57 TYR HB3 57 TYR HE 4.50 (# 171:25 Unique 4.66, 5.10 A)
&rst
ixpk= 171, nxpk= 25, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 872, 877,
&end
#
# 0 AMB 25-2:172 57 TYR HE 5.50 (# 172:25 Single Ambig)
&rst
ixpk= 172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1070, 887, 888,
igr2= 872, 877,
&end
#
# 0 AMB 25-2:173 57 TYR HE 4.50 (# 173:25 Single Ambig)
&rst
ixpk= 173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 375, 376, 369,
igr2= 872, 877,
&end
#
# 73 CYS HB- 57 TYR HE 5.50 (# 174:25 Unique 3.84, 5.34 A)
&rst
ixpk= 174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1096,1097,
igr2= 872, 877,
&end
#
# 73 CYS HA 57 TYR HE 4.50 (# 175:25 Unique 4.10, 5.54 A)
&rst
ixpk= 175, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 872, 877,
&end
#
# 57 TYR HA 57 TYR HE 5.50 (# 176:25 Unique 4.51, 5.33 A)
&rst
ixpk= 176, nxpk= 25, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 872, 877,
&end
#
# 125 TYR HB- 125 TYR HE 4.50 (# 177:25 Unique 4.68, 5.10 A)
&rst
ixpk= 177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1888,1889,
igr2=1894,1899,
&end
#
# 125 TYR HB+ 125 TYR HE 5.50 (# 178:25 Unique 4.68, 5.10 A)
&rst
ixpk= 178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1888,1889,
igr2=1894,1899,
&end
#
# 102 HIS HB3 120 TRP HE3 5.50 (# 179:25 Unique 3.71, 3.75 A)
&rst
ixpk= 179, nxpk= 25, iat=1528,1836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:182 49 TRP HH2 4.50 (# 182:25 Single Ambig)
&rst
ixpk= 182, nxpk= 25, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 665, 667, 668,
&end
#
# 52 TYR HB+ 52 TYR HE 5.50 (# 184:25 Unique 4.71, 5.09 A)
&rst
ixpk= 184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 787, 788,
igr2= 793, 798,
&end
#
# 73 CYS HB+ 57 TYR HD 4.50 (# 185:25 Unique 2.56, 4.32 A)
&rst
ixpk= 185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1096,1097,
igr2= 870, 879,
&end
#
# 0 AMB 25-2:186 57 TYR HD 4.50 (# 186:25 Single Ambig)
&rst
ixpk= 186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 375, 376, 369,
igr2= 870, 879,
&end
#
# 60 VAL MGY 47 TYR HE 4.50 (# 187:25 Unique 3.47, 7.09 A)
&rst
ixpk= 187, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 701, 706,
&end
#
# 0 AMB 25-2:188 120 TRP HD1 5.50 (# 188:25 Single Ambig)
&rst
ixpk= 188, nxpk= 25, iat= -1,1825, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1544,1545,1546,1793,1794,1795,1797,1798,1799,
&end
#
# 0 AMB 25-2:189 57 TYR HE 7.00 (# 189:25 Single Ambig)
&rst
ixpk= 189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1096,1097,1081,1082,
igr2= 872, 877,
&end
#
# 73 CYS HB- 57 TYR HD 5.50 (# 190:25 Unique 2.56, 4.32 A)
&rst
ixpk= 190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1096,1097,
igr2= 870, 879,
&end
#
# 120 TRP HA 89 HIS HE1 5.50 (# 192:25 Unique 3.27, 3.49 A)
&rst
ixpk= 192, nxpk= 25, iat=1819,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 ALA HN 89 HIS HE1 5.50 (# 193:25 Unique 2.74, 3.61 A)
&rst
ixpk= 193, nxpk= 25, iat=1841,1344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:194 49 TRP HD1 5.50 (# 194:25 Single Ambig)
&rst
ixpk= 194, nxpk= 25, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 736, 760,
&end
#
# 94 SER HN 93 TYR HD 5.50 (# 196:25 Unique 3.58, 4.69 A)
&rst
ixpk= 196, nxpk= 25, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1403,1412,
&end
#
# 52 TYR HN 52 TYR HD 4.50 (# 200:25 Unique 3.15, 3.69 A)
&rst
ixpk= 200, nxpk= 25, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 791, 800,
&end
#
# 71 CYS HA 28 HIS HD2 4.50 (# 206:25 Unique 2.86, 3.54 A)
&rst
ixpk= 206, nxpk= 25, iat=1068, 437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 TYR HA 91 TYR HD 5.50 (# 208:25 Unique 3.82, 4.28 A)
&rst
ixpk= 208, nxpk= 25, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1375,1384,
&end
#
# 0 AMB 25-2:209 47 TYR HD 5.50 (# 209:25 Single Ambig)
&rst
ixpk= 209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 760, 736,
igr2= 699, 708,
&end
#
# 78 ARG HN 102 HIS HE1 5.50 (# 213:25 Unique 5.19, 5.26 A)
&rst
ixpk= 213, nxpk= 25, iat=1143,1533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP HN 57 TYR HD 5.50 (# 214:25 Unique 3.61, 4.49 A)
&rst
ixpk= 214, nxpk= 25, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 870, 879,
&end
#
# 103 ALA MB 120 TRP HH2 5.50 (# 215:25 Unique 3.49, 4.72 A)
&rst
ixpk= 215, nxpk= 25, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1544,1545,1546,
&end
#
# 0 AMB 25-2:216 49 TRP HE3 5.50 (# 216:25 Single Ambig)
&rst
ixpk= 216, nxpk= 25, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 760, 736,
&end
#
# 120 TRP HE3 120 TRP HZ3 5.50 (# 217:25 Unique 2.47, 2.47 A)
&rst
ixpk= 217, nxpk= 25, iat=1836,1834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:218 120 TRP HZ3 5.50 (# 218:25 Single Ambig)
&rst
ixpk= 218, nxpk= 25, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1851,1841,
&end
#
# 125 TYR HB+ 93 TYR HE 5.50 (# 220:25 Unique 2.54, 5.82 A)
&rst
ixpk= 220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1888,1889,
igr2=1405,1410,
&end
#
# 52 TYR HB- 52 TYR HE 4.50 (# 223:25 Unique 4.71, 5.09 A)
&rst
ixpk= 223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 787, 788,
igr2= 793, 798,
&end
#
# 76 GLY HA- 22 TYR HE 5.50 (# 224:25 Unique 2.37, 4.83 A)
&rst
ixpk= 224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1131,1132,
igr2= 319, 324,
&end
#
# 22 TYR HE 102 HIS HD2 5.50 (# 225:25 Unique 2.35, 3.45 A)
&rst
ixpk= 225, nxpk= 25, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 319, 324,
&end
#
# 57 TYR HN 97 TYR HE 7.00 (# 226:25 Unique 4.09, 6.47 A)
&rst
ixpk= 226, nxpk= 25, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1464,1469,
&end
#
# 0 AMB 25-2:227 49 TRP HZ2 4.50 (# 227:25 Single Ambig)
&rst
ixpk= 227, nxpk= 25, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 905, 906, 667, 668,
&end
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