NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
501251 |
2l17   |
cing | 1-original | 7 | AMBER | distance | NOE | ambi |
#
# 97 GLU HB+ 99 TRP HE1 3.50 (# 0:15 Unique 2.43, 3.10 A)
&rst
ixpk= 0, nxpk= 15, iat= -1,1470, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1437,1438,
&end
#
# 0 AMB 15-2:1 99 TRP HE1 3.50 (# 1:15 Single Ambig)
&rst
ixpk= 1, nxpk= 15, iat= -1,1470, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1437,1438,1440,1441,
&end
#
# 42 VAL HA 43 HIS HN 2.80 (# 2:15 Unique 2.14, 2.29 A)
&rst
ixpk= 2, nxpk= 15, iat= 629, 643, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 HIS HB+ 43 HIS HN 3.50 (# 3:15 Unique 2.49, 2.83 A)
&rst
ixpk= 3, nxpk= 15, iat= -1, 643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 647, 648,
&end
#
# 43 HIS HB- 43 HIS HN 3.50 (# 4:15 Unique 2.49, 2.83 A)
&rst
ixpk= 4, nxpk= 15, iat= -1, 643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 647, 648,
&end
#
# 0 AMB 15-2:5 43 HIS HN 3.50 (# 5:15 Single Ambig)
&rst
ixpk= 5, nxpk= 15, iat= -1, 643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713, 556,
557, 558, 560, 561, 562,
&end
#
# 69 ASN HA 70 ALA HN 2.80 (# 6:15 Unique 2.27, 2.31 A)
&rst
ixpk= 6, nxpk= 15, iat=1020,1032, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:7 70 ALA HN 4.50 (# 7:15 Single Ambig)
&rst
ixpk= 7, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,1058,1059,
&end
#
# 70 ALA HA 70 ALA HN 3.50 (# 8:15 Unique 2.74, 2.76 A)
&rst
ixpk= 8, nxpk= 15, iat=1034,1032, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 ALA MB 70 ALA HN 2.80 (# 9:15 Unique 2.29, 2.82 A)
&rst
ixpk= 9, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1036,1037,1038,
&end
#
# 87 PRO HG+ 90 TRP HE1 4.50 (# 10:15 Unique 2.36, 3.14 A)
&rst
ixpk= 10, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1269,1270,
&end
#
# 89 GLU HG+ 90 TRP HE1 3.50 (# 11:15 Unique 2.87, 3.81 A)
&rst
ixpk= 11, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1300,1301,
&end
#
# 65 ILE HG1+ 90 TRP HE1 3.50 (# 12:15 Unique 3.61, 4.19 A)
&rst
ixpk= 12, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 960, 961,
&end
#
# 0 AMB 15-2:13 90 TRP HE1 3.50 (# 13:15 Single Ambig)
&rst
ixpk= 13, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 960, 961,1255,1256,1257,1259,1260,1261,
&end
#
# 70 ALA MB 90 TRP HE1 3.50 (# 14:15 Unique 3.62, 4.36 A)
&rst
ixpk= 14, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1036,1037,1038,
&end
#
# 65 ILE QD1 90 TRP HE1 4.50 (# 15:15 Unique 3.95, 5.03 A)
&rst
ixpk= 15, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 963, 964, 965,
&end
#
# 96 PHE HA 96 PHE HN 3.50 (# 16:15 Unique 2.91, 2.94 A)
&rst
ixpk= 16, nxpk= 15, iat=1415,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ILE HA 96 PHE HN 2.80 (# 17:15 Unique 2.18, 2.20 A)
&rst
ixpk= 17, nxpk= 15, iat=1396,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 96 PHE HB+ 96 PHE HN 3.50 (# 18:15 Unique 2.76, 3.21 A)
&rst
ixpk= 18, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1417,1418,
&end
#
# 96 PHE HB- 96 PHE HN 3.50 (# 19:15 Unique 2.76, 3.21 A)
&rst
ixpk= 19, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1417,1418,
&end
#
# 95 ILE QG2 96 PHE HN 2.80 (# 20:15 Unique 2.86, 3.50 A)
&rst
ixpk= 20, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1400,1401,1402,
&end
#
# 75 VAL MGX 76 VAL HN 3.50 (# 21:15 Unique 2.18, 4.00 A)
&rst
ixpk= 21, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 96 PHE HA 76 VAL HN 3.50 (# 22:15 Unique 2.72, 2.83 A)
&rst
ixpk= 22, nxpk= 15, iat=1415,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:23 76 VAL HN 2.80 (# 23:15 Single Ambig)
&rst
ixpk= 23, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1101,1117,
&end
#
# 76 VAL HB 76 VAL HN 4.50 (# 24:15 Unique 2.42, 2.72 A)
&rst
ixpk= 24, nxpk= 15, iat=1119,1115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL MGX 76 VAL HN 3.50 (# 25:15 Unique 2.36, 4.19 A)
&rst
ixpk= 25, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 75 VAL MGY 76 VAL HN 3.50 (# 26:15 Unique 2.18, 4.00 A)
&rst
ixpk= 26, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 95 ILE HB 76 VAL HN 3.50 (# 28:15 Unique 3.53, 3.57 A)
&rst
ixpk= 28, nxpk= 15, iat=1398,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL MGY 76 VAL HN 4.50 (# 29:15 Unique 2.36, 4.19 A)
&rst
ixpk= 29, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 55 ILE HA 56 ASP HN 2.80 (# 31:15 Unique 2.09, 2.19 A)
&rst
ixpk= 31, nxpk= 15, iat= 816, 833, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 ASP HB+ 56 ASP HN 2.80 (# 32:15 Unique 2.15, 2.65 A)
&rst
ixpk= 32, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 837, 838,
&end
#
# 56 ASP HB- 56 ASP HN 2.80 (# 33:15 Unique 2.15, 2.65 A)
&rst
ixpk= 33, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 837, 838,
&end
#
# 55 ILE HG1+ 56 ASP HN 4.50 (# 34:15 Unique 3.40, 4.09 A)
&rst
ixpk= 34, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 824, 825,
&end
#
# 55 ILE QG2 56 ASP HN 2.80 (# 35:15 Unique 2.08, 3.01 A)
&rst
ixpk= 35, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 820, 821, 822,
&end
#
# 30 ILE HA 31 ALA HN 2.80 (# 36:15 Unique 2.16, 2.28 A)
&rst
ixpk= 36, nxpk= 15, iat= 461, 478, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 1 MET HG- 31 ALA HN 4.50 (# 37:15 Unique 4.02, 4.91 A)
&rst
ixpk= 37, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 0 AMB 15-2:38 31 ALA HN 5.50 (# 38:15 Single Ambig)
&rst
ixpk= 38, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 441, 442,1103,
&end
#
# 0 AMB 15-2:39 31 ALA HN 2.80 (# 39:15 Single Ambig)
&rst
ixpk= 39, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 463, 8, 9,
&end
#
# 0 AMB 15-2:40 31 ALA HN 4.50 (# 40:15 Single Ambig)
&rst
ixpk= 40, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 50, 51, 31, 32,
&end
#
# 31 ALA MB 31 ALA HN 2.80 (# 41:15 Unique 2.52, 3.14 A)
&rst
ixpk= 41, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 482, 483, 484,
&end
#
# 30 ILE QG2 31 ALA HN 3.50 (# 42:15 Unique 3.44, 4.39 A)
&rst
ixpk= 42, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 465, 466, 467,
&end
#
# 4 VAL MGY 31 ALA HN 4.50 (# 43:15 Unique 2.82, 6.02 A)
&rst
ixpk= 43, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 98 ASP HA 99 TRP HN 3.50 (# 44:15 Unique 2.15, 2.22 A)
&rst
ixpk= 44, nxpk= 15, iat=1450,1460, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HA 100 GLN HN 2.80 (# 45:15 Unique 2.11, 2.19 A)
&rst
ixpk= 45, nxpk= 15, iat=1462,1484, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 GLN HB+ 100 GLN HN 3.50 (# 47:15 Unique 2.36, 3.13 A)
&rst
ixpk= 47, nxpk= 15, iat= -1,1484, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1488,1489,
&end
#
# 3 LYS HA 4 VAL HN 2.80 (# 48:15 Unique 2.09, 2.12 A)
&rst
ixpk= 48, nxpk= 15, iat= 45, 65, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:49 4 VAL HN 2.80 (# 49:15 Single Ambig)
&rst
ixpk= 49, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 69, 47, 48,
&end
#
# 0 AMB 15-2:50 4 VAL HN 4.50 (# 50:15 Single Ambig)
&rst
ixpk= 50, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 50, 51, 53, 54,1911,1912,1913,1915,1916,1917,
&end
#
# 31 ALA MB 4 VAL HN 3.50 (# 51:15 Unique 3.72, 4.57 A)
&rst
ixpk= 51, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 482, 483, 484,
&end
#
# 4 VAL MGY 4 VAL HN 2.80 (# 52:15 Unique 2.55, 4.08 A)
&rst
ixpk= 52, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL MGX 4 VAL HN 4.50 (# 53:15 Unique 2.55, 4.08 A)
&rst
ixpk= 53, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 76 VAL HA 77 ILE HN 2.80 (# 54:15 Unique 2.06, 2.09 A)
&rst
ixpk= 54, nxpk= 15, iat=1117,1131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 77 ILE HB 77 ILE HN 3.50 (# 55:15 Unique 2.53, 2.58 A)
&rst
ixpk= 55, nxpk= 15, iat=1135,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL MGY 77 ILE HN 3.50 (# 56:15 Unique 3.01, 4.33 A)
&rst
ixpk= 56, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 4 VAL HA 4 VAL HN 3.50 (# 57:15 Unique 2.96, 2.97 A)
&rst
ixpk= 57, nxpk= 15, iat= 67, 65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:58 5 MET HN 2.80 (# 58:15 Single Ambig)
&rst
ixpk= 58, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 67, 83,
&end
#
# 76 VAL HA 5 MET HN 3.50 (# 59:15 Unique 2.48, 2.73 A)
&rst
ixpk= 59, nxpk= 15, iat=1117, 81, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 VAL HB 5 MET HN 4.50 (# 60:15 Unique 4.06, 4.23 A)
&rst
ixpk= 60, nxpk= 15, iat=1103, 81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 MET HB+ 5 MET HN 3.50 (# 61:15 Unique 2.63, 3.02 A)
&rst
ixpk= 61, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 85, 86,
&end
#
# 76 VAL MGX 5 MET HN 4.50 (# 62:15 Unique 3.79, 5.52 A)
&rst
ixpk= 62, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 15-2:63 5 MET HN 3.50 (# 63:15 Single Ambig)
&rst
ixpk= 63, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 85, 86,1121,1122,1123,1125,1126,1127,
&end
#
# 4 VAL MGY 5 MET HN 4.50 (# 64:15 Unique 2.16, 3.84 A)
&rst
ixpk= 64, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 4 VAL MGX 5 MET HN 2.80 (# 65:15 Unique 2.16, 3.84 A)
&rst
ixpk= 65, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 100 GLN HA 101 LEU HN 3.50 (# 67:15 Unique 2.40, 2.78 A)
&rst
ixpk= 67, nxpk= 15, iat=1486,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 LEU HB+ 101 LEU HN 3.50 (# 68:15 Unique 2.17, 3.08 A)
&rst
ixpk= 68, nxpk= 15, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1505,1506,
&end
#
# 0 AMB 15-2:69 2 LYS HN 2.80 (# 69:15 Single Ambig)
&rst
ixpk= 69, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 6, 23,
&end
#
# 2 LYS HB+ 2 LYS HN 2.80 (# 70:15 Unique 2.58, 3.22 A)
&rst
ixpk= 70, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 25, 26,
&end
#
# 2 LYS HD+ 2 LYS HN 2.80 (# 71:15 Unique 1.62, 2.82 A)
&rst
ixpk= 71, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 31, 32,
&end
#
# 30 ILE QG2 2 LYS HN 3.50 (# 72:15 Unique 3.48, 4.70 A)
&rst
ixpk= 72, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 465, 466, 467,
&end
#
# 51 GLU HA 51 GLU HN 3.50 (# 73:15 Unique 2.81, 2.83 A)
&rst
ixpk= 73, nxpk= 15, iat= 763, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 GLU HB+ 51 GLU HN 2.80 (# 74:15 Unique 2.39, 2.47 A)
&rst
ixpk= 74, nxpk= 15, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 765, 766,
&end
#
# 5 MET HA 6 PHE HN 2.80 (# 76:15 Unique 2.11, 2.19 A)
&rst
ixpk= 76, nxpk= 15, iat= 83, 98, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 VAL HB 85 ASN HN 4.50 (# 77:15 Unique 3.99, 4.20 A)
&rst
ixpk= 77, nxpk= 15, iat=1220,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 ASN HA 85 ASN HN 3.50 (# 78:15 Unique 2.30, 2.91 A)
&rst
ixpk= 78, nxpk= 15, iat=1234,1232, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 VAL HA 85 ASN HN 2.80 (# 80:15 Unique 2.06, 2.16 A)
&rst
ixpk= 80, nxpk= 15, iat=1218,1232, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 ASN HB+ 85 ASN HN 3.50 (# 81:15 Unique 2.17, 2.67 A)
&rst
ixpk= 81, nxpk= 15, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1236,1237,
&end
#
# 85 ASN HB- 85 ASN HN 2.80 (# 82:15 Unique 2.17, 2.67 A)
&rst
ixpk= 82, nxpk= 15, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1236,1237,
&end
#
# 84 VAL MGY 85 ASN HN 2.80 (# 83:15 Unique 2.63, 4.25 A)
&rst
ixpk= 83, nxpk= 15, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 46 ALA MB 46 ALA HN 2.80 (# 84:15 Unique 2.38, 3.02 A)
&rst
ixpk= 84, nxpk= 15, iat= -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 692, 693, 694,
&end
#
# 41 ARG HA 42 VAL HN 3.50 (# 85:15 Unique 2.09, 2.52 A)
&rst
ixpk= 85, nxpk= 15, iat= 605, 627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR HB 115 VAL HN 2.80 (# 88:15 Unique 2.71, 2.77 A)
&rst
ixpk= 88, nxpk= 15, iat=1706,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 VAL HA 115 VAL HN 2.80 (# 89:15 Unique 2.83, 2.85 A)
&rst
ixpk= 89, nxpk= 15, iat=1718,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HA 115 VAL HN 3.50 (# 90:15 Unique 3.54, 3.60 A)
&rst
ixpk= 90, nxpk= 15, iat=1644,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 VAL HB 115 VAL HN 2.80 (# 91:15 Unique 2.20, 2.42 A)
&rst
ixpk= 91, nxpk= 15, iat=1720,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:92 115 VAL HN 3.50 (# 92:15 Single Ambig)
&rst
ixpk= 92, nxpk= 15, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1708,1709,1710,1551,1552,
&end
#
# 115 VAL MGY 115 VAL HN 2.80 (# 93:15 Unique 2.22, 3.84 A)
&rst
ixpk= 93, nxpk= 15, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1722,1723,1724,1726,1727,1728,
&end
#
# 130 ILE HA 131 SER HN 3.50 (# 95:15 Unique 3.53, 3.56 A)
&rst
ixpk= 95, nxpk= 15, iat=1974,1991, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 131 SER HB+ 131 SER HN 3.50 (# 96:15 Unique 2.43, 3.01 A)
&rst
ixpk= 96, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1995,1996,
&end
#
# 130 ILE HG1- 131 SER HN 3.50 (# 97:15 Unique 2.67, 3.34 A)
&rst
ixpk= 97, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1982,1983,
&end
#
# 0 AMB 15-2:98 131 SER HN 3.50 (# 98:15 Single Ambig)
&rst
ixpk= 98, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1927,1928,1929, 465, 466, 467,1978,1979,1980,
&end
#
# 131 SER HA 131 SER HN 2.80 (# 99:15 Unique 2.76, 2.84 A)
&rst
ixpk= 99, nxpk= 15, iat=1993,1991, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HA 131 SER HN 4.50 (# 100:15 Unique 4.00, 4.09 A)
&rst
ixpk= 100, nxpk= 15, iat=1942,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 131 SER HB- 131 SER HN 3.50 (# 101:15 Unique 2.43, 3.01 A)
&rst
ixpk= 101, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1995,1996,
&end
#
# 130 ILE HB 131 SER HN 4.50 (# 102:15 Unique 3.19, 3.49 A)
&rst
ixpk= 102, nxpk= 15, iat=1976,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 130 ILE HG1+ 131 SER HN 3.50 (# 103:15 Unique 2.67, 3.34 A)
&rst
ixpk= 103, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1982,1983,
&end
#
# 27 ALA HA 27 ALA HN 2.80 (# 104:15 Unique 2.79, 2.81 A)
&rst
ixpk= 104, nxpk= 15, iat= 422, 420, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 GLY HA- 27 ALA HN 3.50 (# 105:15 Unique 3.10, 3.30 A)
&rst
ixpk= 105, nxpk= 15, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 415, 416,
&end
#
# 27 ALA MB 27 ALA HN 2.80 (# 106:15 Unique 2.50, 2.90 A)
&rst
ixpk= 106, nxpk= 15, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 424, 425, 426,
&end
#
# 96 PHE HA 97 GLU HN 2.80 (# 107:15 Unique 2.06, 2.11 A)
&rst
ixpk= 107, nxpk= 15, iat=1415,1433, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 77 ILE HA 97 GLU HN 4.50 (# 108:15 Unique 2.85, 3.03 A)
&rst
ixpk= 108, nxpk= 15, iat=1133,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 ILE HB 65 ILE HN 3.50 (# 110:15 Unique 2.35, 2.47 A)
&rst
ixpk= 110, nxpk= 15, iat= 954, 950, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 ILE QG2 65 ILE HN 3.50 (# 111:15 Unique 1.96, 3.02 A)
&rst
ixpk= 111, nxpk= 15, iat= -1, 950, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 956, 957, 958,
&end
#
# 47 ILE QG2 48 ALA HN 3.50 (# 112:15 Unique 2.82, 3.86 A)
&rst
ixpk= 112, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 704, 705, 706,
&end
#
# 48 ALA HA 48 ALA HN 3.50 (# 113:15 Unique 2.81, 2.82 A)
&rst
ixpk= 113, nxpk= 15, iat= 719, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 THR HA 48 ALA HN 3.50 (# 114:15 Unique 3.17, 3.33 A)
&rst
ixpk= 114, nxpk= 15, iat= 676, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 ILE HB 48 ALA HN 2.80 (# 115:15 Unique 2.58, 2.72 A)
&rst
ixpk= 115, nxpk= 15, iat= 702, 717, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 48 ALA MB 48 ALA HN 2.80 (# 116:15 Unique 2.50, 2.90 A)
&rst
ixpk= 116, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 721, 722, 723,
&end
#
# 3 LYS HA 3 LYS HN 3.50 (# 118:15 Unique 2.93, 2.96 A)
&rst
ixpk= 118, nxpk= 15, iat= 45, 43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASP HB+ 3 LYS HN 4.50 (# 119:15 Unique 2.45, 3.46 A)
&rst
ixpk= 119, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1091,1092,
&end
#
# 74 ASP HB- 3 LYS HN 3.50 (# 120:15 Unique 2.45, 3.46 A)
&rst
ixpk= 120, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1091,1092,
&end
#
# 2 LYS HA 3 LYS HN 2.80 (# 121:15 Unique 2.17, 2.23 A)
&rst
ixpk= 121, nxpk= 15, iat= 23, 43, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 LYS HB+ 3 LYS HN 2.80 (# 122:15 Unique 2.65, 3.23 A)
&rst
ixpk= 122, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 47, 48,
&end
#
# 3 LYS HG+ 3 LYS HN 2.80 (# 123:15 Unique 2.14, 2.86 A)
&rst
ixpk= 123, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 50, 51,
&end
#
# 3 LYS HG- 3 LYS HN 4.50 (# 124:15 Unique 2.14, 2.86 A)
&rst
ixpk= 124, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 101 LEU HA 102 GLU HN 2.80 (# 125:15 Unique 2.09, 2.49 A)
&rst
ixpk= 125, nxpk= 15, iat=1503,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLU HA 102 GLU HN 2.80 (# 126:15 Unique 2.19, 2.74 A)
&rst
ixpk= 126, nxpk= 15, iat=1522,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:127 0 AMB 15-1:127 2.80 (# 127:15 Double Ambig)
&rst
ixpk= 127, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1527,1528, 313, 314,
igr2=1520, 504,
&end
#
# 0 AMB 15-2:128 102 GLU HN 2.80 (# 128:15 Single Ambig)
&rst
ixpk= 128, nxpk= 15, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1505,1506,1524,1525,
&end
#
# 1 MET HB+ 1 MET HN 4.50 (# 130:15 Unique 2.37, 2.92 A)
&rst
ixpk= 130, nxpk= 15, iat= -1, 2, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 8, 9,
&end
#
# 7 VAL MGX 8 CYS HN 3.50 (# 131:15 Unique 2.31, 4.42 A)
&rst
ixpk= 131, nxpk= 15, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 31 ALA HA 32 VAL HN 2.80 (# 132:15 Unique 2.20, 2.30 A)
&rst
ixpk= 132, nxpk= 15, iat= 480, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HB 32 VAL HN 2.80 (# 134:15 Unique 2.47, 2.73 A)
&rst
ixpk= 134, nxpk= 15, iat= 492, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 31 ALA MB 32 VAL HN 3.50 (# 135:15 Unique 2.76, 3.80 A)
&rst
ixpk= 135, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 482, 483, 484,
&end
#
# 32 VAL MGX 32 VAL HN 3.50 (# 136:15 Unique 2.19, 3.95 A)
&rst
ixpk= 136, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL MGY 32 VAL HN 2.80 (# 137:15 Unique 2.19, 3.95 A)
&rst
ixpk= 137, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 0 AMB 15-2:138 0 AMB 15-1:138 2.80 (# 138:15 Double Ambig)
&rst
ixpk= 138, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 494, 495, 496, 498, 499, 500,1722,1723,1724,1726,
1727,1728,1722,1723,1724,1726,1727,1728,
igr2= 504,1520,
&end
#
# 7 VAL HA 8 CYS HN 3.50 (# 139:15 Unique 2.08, 2.20 A)
&rst
ixpk= 139, nxpk= 15, iat= 120, 134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HA 118 GLN HN 2.80 (# 140:15 Unique 2.84, 2.87 A)
&rst
ixpk= 140, nxpk= 15, iat=1765,1763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:141 118 GLN HN 2.80 (# 141:15 Single Ambig)
&rst
ixpk= 141, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1758,1759,1718,
&end
#
# 118 GLN HB+ 118 GLN HN 2.80 (# 142:15 Unique 2.27, 3.04 A)
&rst
ixpk= 142, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1767,1768,
&end
#
# 118 GLN HB- 118 GLN HN 2.80 (# 143:15 Unique 2.27, 3.04 A)
&rst
ixpk= 143, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1767,1768,
&end
#
# 114 THR MG2 118 GLN HN 4.50 (# 144:15 Unique 4.07, 5.20 A)
&rst
ixpk= 144, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1708,1709,1710,
&end
#
# 0 AMB 15-2:145 118 GLN HN 4.50 (# 145:15 Single Ambig)
&rst
ixpk= 145, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1508,1722,1723,1724,1726,1727,1728,
&end
#
# 32 VAL HA 32 VAL HN 2.80 (# 146:15 Unique 2.93, 2.94 A)
&rst
ixpk= 146, nxpk= 15, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 VAL HA 33 THR HN 2.80 (# 147:15 Unique 2.20, 2.27 A)
&rst
ixpk= 147, nxpk= 15, iat= 490, 504, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 THR HA 33 THR HN 3.50 (# 148:15 Unique 2.94, 2.96 A)
&rst
ixpk= 148, nxpk= 15, iat= 506, 504, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 VAL MGX 33 THR HN 3.50 (# 149:15 Unique 2.32, 4.38 A)
&rst
ixpk= 149, nxpk= 15, iat= -1, 504, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 22 ALA HA 22 ALA HN 4.50 (# 150:15 Unique 2.84, 2.87 A)
&rst
ixpk= 150, nxpk= 15, iat= 350, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:151 22 ALA HN 4.50 (# 151:15 Single Ambig)
&rst
ixpk= 151, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
499, 500,
&end
#
# 22 ALA MB 22 ALA HN 2.80 (# 152:15 Unique 2.33, 2.88 A)
&rst
ixpk= 152, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 352, 353, 354,
&end
#
# 125 ASN HB+ 126 LEU HN 2.80 (# 153:15 Unique 2.69, 2.98 A)
&rst
ixpk= 153, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1892,1893,
&end
#
# 126 LEU HA 126 LEU HN 2.80 (# 154:15 Unique 2.85, 2.87 A)
&rst
ixpk= 154, nxpk= 15, iat=1904,1902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 123 VAL HA 126 LEU HN 3.50 (# 155:15 Unique 3.55, 3.58 A)
&rst
ixpk= 155, nxpk= 15, iat=1859,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 LEU HB+ 126 LEU HN 2.80 (# 156:15 Unique 2.08, 2.60 A)
&rst
ixpk= 156, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1906,1907,
&end
#
# 126 LEU HB- 126 LEU HN 2.80 (# 157:15 Unique 2.08, 2.60 A)
&rst
ixpk= 157, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1906,1907,
&end
#
# 0 AMB 15-2:158 126 LEU HN 4.50 (# 158:15 Single Ambig)
&rst
ixpk= 158, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1911,1912,1913,1915,1916,1917,1909,
&end
#
# 108 SER HB+ 111 VAL HN 4.50 (# 160:15 Unique 2.93, 3.81 A)
&rst
ixpk= 160, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1601,1602,
&end
#
# 109 LEU HA 111 VAL HN 5.50 (# 161:15 Unique 4.20, 4.33 A)
&rst
ixpk= 161, nxpk= 15, iat=1610,1642, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HA 111 VAL HN 2.80 (# 162:15 Unique 2.87, 2.88 A)
&rst
ixpk= 162, nxpk= 15, iat=1644,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HB 111 VAL HN 2.80 (# 163:15 Unique 2.48, 2.57 A)
&rst
ixpk= 163, nxpk= 15, iat=1646,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 GLU HB- 111 VAL HN 2.80 (# 164:15 Unique 2.38, 3.11 A)
&rst
ixpk= 164, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1631,1632,
&end
#
# 111 VAL MGY 111 VAL HN 2.80 (# 165:15 Unique 2.14, 3.87 A)
&rst
ixpk= 165, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL MGX 111 VAL HN 3.50 (# 166:15 Unique 2.14, 3.87 A)
&rst
ixpk= 166, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 123 VAL HA 123 VAL HN 2.80 (# 167:15 Unique 2.80, 2.81 A)
&rst
ixpk= 167, nxpk= 15, iat=1859,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 123 VAL HB 123 VAL HN 2.80 (# 168:15 Unique 2.21, 2.28 A)
&rst
ixpk= 168, nxpk= 15, iat=1861,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 123 VAL MGY 123 VAL HN 2.80 (# 169:15 Unique 2.19, 3.86 A)
&rst
ixpk= 169, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 123 VAL MGX 123 VAL HN 3.50 (# 170:15 Unique 2.19, 3.86 A)
&rst
ixpk= 170, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 122 ARG HB+ 123 VAL HN 3.50 (# 171:15 Unique 2.45, 3.13 A)
&rst
ixpk= 171, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1837,1838,
&end
#
# 74 ASP HA 94 GLU HN 4.50 (# 172:15 Unique 2.59, 2.97 A)
&rst
ixpk= 172, nxpk= 15, iat=1089,1379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 GLN HA 94 GLU HN 2.80 (# 174:15 Unique 2.20, 2.35 A)
&rst
ixpk= 174, nxpk= 15, iat=1364,1379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 GLU HA 94 GLU HN 2.80 (# 175:15 Unique 2.87, 2.89 A)
&rst
ixpk= 175, nxpk= 15, iat=1381,1379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HB+ 94 GLU HN 2.80 (# 176:15 Unique 2.17, 3.09 A)
&rst
ixpk= 176, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1366,1367,
&end
#
# 94 GLU HB+ 94 GLU HN 2.80 (# 177:15 Unique 2.01, 2.58 A)
&rst
ixpk= 177, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1383,1384,
&end
#
# 94 GLU HB- 94 GLU HN 2.80 (# 178:15 Unique 2.01, 2.58 A)
&rst
ixpk= 178, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1383,1384,
&end
#
# 93 GLN HG- 94 GLU HN 4.50 (# 179:15 Unique 4.01, 4.92 A)
&rst
ixpk= 179, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1369,1370,
&end
#
# 93 GLN HB- 94 GLU HN 2.80 (# 180:15 Unique 2.17, 3.09 A)
&rst
ixpk= 180, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1366,1367,
&end
#
# 55 ILE HG1- 55 ILE HN 3.50 (# 181:15 Unique 3.09, 3.76 A)
&rst
ixpk= 181, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 824, 825,
&end
#
# 55 ILE HG1+ 55 ILE HN 3.50 (# 182:15 Unique 3.09, 3.76 A)
&rst
ixpk= 182, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 824, 825,
&end
#
# 55 ILE QD1 55 ILE HN 4.50 (# 183:15 Unique 4.41, 5.27 A)
&rst
ixpk= 183, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 827, 828, 829,
&end
#
# 7 VAL MGY 7 VAL HN 3.50 (# 184:15 Unique 2.17, 3.92 A)
&rst
ixpk= 184, nxpk= 15, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 55 ILE HA 55 ILE HN 2.80 (# 185:15 Unique 2.94, 2.95 A)
&rst
ixpk= 185, nxpk= 15, iat= 816, 814, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 GLU HA 55 ILE HN 2.80 (# 186:15 Unique 2.80, 2.84 A)
&rst
ixpk= 186, nxpk= 15, iat= 763, 814, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:187 55 ILE HN 2.80 (# 187:15 Single Ambig)
&rst
ixpk= 187, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
igr1= 818, 797, 798, 799, 801, 802, 803,
&end
#
# 55 ILE QG2 55 ILE HN 4.50 (# 188:15 Unique 4.04, 4.57 A)
&rst
ixpk= 188, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 820, 821, 822,
&end
#
# 98 ASP HA 98 ASP HN 3.50 (# 189:15 Unique 2.88, 2.91 A)
&rst
ixpk= 189, nxpk= 15, iat=1450,1448, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HA 98 ASP HN 2.80 (# 190:15 Unique 2.32, 2.39 A)
&rst
ixpk= 190, nxpk= 15, iat=1435,1448, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 98 ASP HB+ 98 ASP HN 2.80 (# 191:15 Unique 2.82, 3.18 A)
&rst
ixpk= 191, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1452,1453,
&end
#
# 98 ASP HB- 98 ASP HN 2.80 (# 192:15 Unique 2.82, 3.18 A)
&rst
ixpk= 192, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1452,1453,
&end
#
# 97 GLU HG+ 98 ASP HN 3.50 (# 193:15 Unique 2.16, 4.01 A)
&rst
ixpk= 193, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1440,1441,
&end
#
# 0 AMB 15-2:194 98 ASP HN 2.80 (# 194:15 Single Ambig)
&rst
ixpk= 194, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1440,1441,1437,1438,
&end
#
# 97 GLU HB+ 98 ASP HN 3.50 (# 195:15 Unique 2.28, 3.26 A)
&rst
ixpk= 195, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1437,1438,
&end
#
# 7 VAL HB 7 VAL HN 2.80 (# 196:15 Unique 2.62, 2.77 A)
&rst
ixpk= 196, nxpk= 15, iat= 122, 118, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 116 ARG HB+ 116 ARG HN 2.80 (# 197:15 Unique 1.96, 2.61 A)
&rst
ixpk= 197, nxpk= 15, iat= -1,1732, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1736,1737,
&end
#
# 116 ARG HA 116 ARG HN 3.50 (# 198:15 Unique 2.74, 2.79 A)
&rst
ixpk= 198, nxpk= 15, iat=1734,1732, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:199 0 AMB 15-1:199 2.80 (# 199:15 Double Ambig)
&rst
ixpk= 199, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1877,1878,1720,
igr2=1873,1732,
&end
#
# 114 THR HB 114 THR HN 2.80 (# 200:15 Unique 2.44, 2.50 A)
&rst
ixpk= 200, nxpk= 15, iat=1706,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HA 114 THR HN 3.50 (# 201:15 Unique 2.89, 3.06 A)
&rst
ixpk= 201, nxpk= 15, iat=1644,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 ARG HB+ 114 THR HN 3.50 (# 202:15 Unique 2.43, 3.22 A)
&rst
ixpk= 202, nxpk= 15, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1682,1683,
&end
#
# 60 GLN HA 60 GLN HN 2.80 (# 204:15 Unique 2.78, 2.90 A)
&rst
ixpk= 204, nxpk= 15, iat= 884, 882, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 GLN HB- 60 GLN HN 3.50 (# 205:15 Unique 2.06, 3.05 A)
&rst
ixpk= 205, nxpk= 15, iat= -1, 882, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 886, 887,
&end
#
# 60 GLN HB+ 60 GLN HN 2.80 (# 206:15 Unique 2.06, 3.05 A)
&rst
ixpk= 206, nxpk= 15, iat= -1, 882, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 886, 887,
&end
#
# 60 GLN HG+ 60 GLN HN 2.80 (# 207:15 Unique 2.24, 3.33 A)
&rst
ixpk= 207, nxpk= 15, iat= -1, 882, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 889, 890,
&end
#
# 42 VAL MGY 60 GLN HN 3.50 (# 208:15 Unique 2.17, 5.43 A)
&rst
ixpk= 208, nxpk= 15, iat= -1, 882, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 633, 634, 635, 637, 638, 639,
&end
#
# 25 LEU HG 25 LEU HN 2.80 (# 209:15 Unique 2.51, 2.56 A)
&rst
ixpk= 209, nxpk= 15, iat= 401, 394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:210 0 AMB 15-1:210 2.80 (# 210:15 Double Ambig)
&rst
ixpk= 210, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1863,1864,1865,1867,1868,1869,1722,1723,1724,1726,
1727,1728, 403, 404, 405, 407, 408, 409,
igr2=1873,1732,
&end
#
# 128 ALA MB 128 ALA HN 2.80 (# 213:15 Unique 2.43, 2.87 A)
&rst
ixpk= 213, nxpk= 15, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1944,1945,1946,
&end
#
# 128 ALA HA 128 ALA HN 2.80 (# 214:15 Unique 2.81, 2.81 A)
&rst
ixpk= 214, nxpk= 15, iat=1942,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 127 ILE HB 128 ALA HN 2.80 (# 215:15 Unique 2.80, 2.83 A)
&rst
ixpk= 215, nxpk= 15, iat=1925,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:216 25 LEU HN 2.80 (# 216:15 Single Ambig)
&rst
ixpk= 216, nxpk= 15, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 384, 382,
&end
#
# 37 LEU HB+ 37 LEU HN 3.50 (# 217:15 Unique 2.28, 3.23 A)
&rst
ixpk= 217, nxpk= 15, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 551, 552,
&end
#
# 0 AMB 15-2:218 25 LEU HN 4.50 (# 218:15 Single Ambig)
&rst
ixpk= 218, nxpk= 15, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
1868,1869,
&end
#
# 124 GLU HB+ 124 GLU HN 2.80 (# 221:15 Unique 2.30, 2.39 A)
&rst
ixpk= 221, nxpk= 15, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1877,1878,
&end
#
# 118 GLN HB- 119 VAL HN 2.80 (# 222:15 Unique 2.58, 3.32 A)
&rst
ixpk= 222, nxpk= 15, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1767,1768,
&end
#
# 0 AMB 15-2:223 119 VAL HN 3.50 (# 223:15 Single Ambig)
&rst
ixpk= 223, nxpk= 15, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
1726,1727,1728,
&end
#
# 103 ASP HA 103 ASP HN 3.50 (# 224:15 Unique 2.84, 2.93 A)
&rst
ixpk= 224, nxpk= 15, iat=1537,1535, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLU HA 103 ASP HN 2.80 (# 225:15 Unique 2.06, 2.18 A)
&rst
ixpk= 225, nxpk= 15, iat=1522,1535, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 ASP HB+ 103 ASP HN 2.80 (# 226:15 Unique 2.16, 2.64 A)
&rst
ixpk= 226, nxpk= 15, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1539,1540,
&end
#
# 103 ASP HB- 103 ASP HN 2.80 (# 227:15 Unique 2.16, 2.64 A)
&rst
ixpk= 227, nxpk= 15, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1539,1540,
&end
#
# 102 GLU HG+ 103 ASP HN 3.50 (# 228:15 Unique 3.55, 4.14 A)
&rst
ixpk= 228, nxpk= 15, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1527,1528,
&end
#
# 102 GLU HB- 103 ASP HN 2.80 (# 229:15 Unique 2.26, 3.40 A)
&rst
ixpk= 229, nxpk= 15, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1524,1525,
&end
#
# 117 GLY HA- 120 LYS HN 4.50 (# 230:15 Unique 3.21, 3.96 A)
&rst
ixpk= 230, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1758,1759,
&end
#
# 120 LYS HA 120 LYS HN 3.50 (# 231:15 Unique 2.71, 2.74 A)
&rst
ixpk= 231, nxpk= 15, iat=1798,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 VAL HB 120 LYS HN 2.80 (# 232:15 Unique 2.58, 2.80 A)
&rst
ixpk= 232, nxpk= 15, iat=1784,1796, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:233 120 LYS HN 2.80 (# 233:15 Single Ambig)
&rst
ixpk= 233, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1800,1801,1806,1807,
&end
#
# 119 VAL MGY 120 LYS HN 4.50 (# 234:15 Unique 3.40, 4.65 A)
&rst
ixpk= 234, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1786,1787,1788,1790,1791,1792,
&end
#
# 120 LYS HB- 120 LYS HN 2.80 (# 235:15 Unique 2.04, 3.01 A)
&rst
ixpk= 235, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1800,1801,
&end
#
# 120 LYS HG+ 120 LYS HN 3.50 (# 236:15 Unique 1.93, 3.03 A)
&rst
ixpk= 236, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1803,1804,
&end
#
# 118 GLN HA 119 VAL HN 3.50 (# 237:15 Unique 3.51, 3.52 A)
&rst
ixpk= 237, nxpk= 15, iat=1765,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 VAL HA 119 VAL HN 3.50 (# 238:15 Unique 2.86, 2.89 A)
&rst
ixpk= 238, nxpk= 15, iat=1782,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 VAL HB 119 VAL HN 2.80 (# 239:15 Unique 2.20, 2.32 A)
&rst
ixpk= 239, nxpk= 15, iat=1784,1780, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 VAL MGY 119 VAL HN 2.80 (# 240:15 Unique 2.28, 3.88 A)
&rst
ixpk= 240, nxpk= 15, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1786,1787,1788,1790,1791,1792,
&end
#
# 109 LEU HB- 109 LEU HN 3.50 (# 241:15 Unique 2.45, 3.05 A)
&rst
ixpk= 241, nxpk= 15, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1612,1613,
&end
#
# 108 SER HA 109 LEU HN 2.80 (# 243:15 Unique 2.33, 2.44 A)
&rst
ixpk= 243, nxpk= 15, iat=1599,1608, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 SER HB- 109 LEU HN 3.50 (# 244:15 Unique 2.44, 3.16 A)
&rst
ixpk= 244, nxpk= 15, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1601,1602,
&end
#
# 0 AMB 15-2:245 109 LEU HN 2.80 (# 245:15 Single Ambig)
&rst
ixpk= 245, nxpk= 15, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1615,1612,1613,
&end
#
# 68 PHE HA 69 ASN HN 2.80 (# 246:15 Unique 2.31, 2.42 A)
&rst
ixpk= 246, nxpk= 15, iat=1000,1018, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 PHE HB+ 69 ASN HN 3.50 (# 247:15 Unique 2.19, 3.02 A)
&rst
ixpk= 247, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1002,1003,
&end
#
# 68 PHE HB- 69 ASN HN 3.50 (# 248:15 Unique 2.19, 3.02 A)
&rst
ixpk= 248, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1002,1003,
&end
#
# 69 ASN HB+ 69 ASN HN 3.50 (# 249:15 Unique 2.45, 3.36 A)
&rst
ixpk= 249, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1022,1023,
&end
#
# 69 ASN HB- 69 ASN HN 3.50 (# 250:15 Unique 2.45, 3.36 A)
&rst
ixpk= 250, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1022,1023,
&end
#
# 0 AMB 15-2:253 93 GLN HN 3.50 (# 253:15 Single Ambig)
&rst
ixpk= 253, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1352,1350,
&end
#
# 93 GLN HB+ 93 GLN HN 3.50 (# 254:15 Unique 2.18, 3.27 A)
&rst
ixpk= 254, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1366,1367,
&end
#
# 93 GLN HG- 93 GLN HN 3.50 (# 255:15 Unique 1.88, 2.98 A)
&rst
ixpk= 255, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1369,1370,
&end
#
# 93 GLN HB- 93 GLN HN 3.50 (# 256:15 Unique 2.18, 3.27 A)
&rst
ixpk= 256, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1366,1367,
&end
#
# 18 ALA MB 18 ALA HN 3.50 (# 257:15 Unique 2.34, 2.88 A)
&rst
ixpk= 257, nxpk= 15, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 300, 301, 302,
&end
#
# 109 LEU HA 112 PHE HN 3.50 (# 258:15 Unique 3.12, 3.27 A)
&rst
ixpk= 258, nxpk= 15, iat=1610,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HA 112 PHE HN 3.50 (# 259:15 Unique 2.79, 2.83 A)
&rst
ixpk= 259, nxpk= 15, iat=1660,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HB+ 112 PHE HN 2.80 (# 260:15 Unique 2.19, 2.98 A)
&rst
ixpk= 260, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1662,1663,
&end
#
# 112 PHE HB- 112 PHE HN 3.50 (# 261:15 Unique 2.19, 2.98 A)
&rst
ixpk= 261, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1662,1663,
&end
#
# 111 VAL HB 112 PHE HN 2.80 (# 262:15 Unique 2.70, 2.83 A)
&rst
ixpk= 262, nxpk= 15, iat=1646,1658, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:263 112 PHE HN 3.50 (# 263:15 Single Ambig)
&rst
ixpk= 263, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1584,1585,1587,1588,
&end
#
# 111 VAL MGY 112 PHE HN 3.50 (# 264:15 Unique 3.61, 4.72 A)
&rst
ixpk= 264, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL MGX 112 PHE HN 3.50 (# 265:15 Unique 3.61, 4.72 A)
&rst
ixpk= 265, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 66 GLU HA 66 GLU HN 2.80 (# 266:15 Unique 2.79, 2.82 A)
&rst
ixpk= 266, nxpk= 15, iat= 971, 969, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 GLU HG+ 66 GLU HN 2.80 (# 267:15 Unique 1.99, 2.99 A)
&rst
ixpk= 267, nxpk= 15, iat= -1, 969, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 976, 977,
&end
#
# 66 GLU HB+ 66 GLU HN 2.80 (# 268:15 Unique 2.16, 2.87 A)
&rst
ixpk= 268, nxpk= 15, iat= -1, 969, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 973, 974,
&end
#
# 65 ILE QG2 66 GLU HN 2.80 (# 269:15 Unique 2.44, 3.03 A)
&rst
ixpk= 269, nxpk= 15, iat= -1, 969, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 956, 957, 958,
&end
#
# 0 AMB 15-2:270 74 ASP HN 3.50 (# 270:15 Single Ambig)
&rst
ixpk= 270, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1089, 67,
&end
#
# 73 TYR HA 74 ASP HN 2.80 (# 271:15 Unique 2.35, 2.47 A)
&rst
ixpk= 271, nxpk= 15, iat=1068,1087, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 ASP HB+ 74 ASP HN 3.50 (# 272:15 Unique 2.34, 3.02 A)
&rst
ixpk= 272, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1091,1092,
&end
#
# 73 TYR HB+ 74 ASP HN 3.50 (# 273:15 Unique 2.10, 2.88 A)
&rst
ixpk= 273, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1070,1071,
&end
#
# 0 AMB 15-2:274 74 ASP HN 2.80 (# 274:15 Single Ambig)
&rst
ixpk= 274, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1070,1071,1091,1092,
&end
#
# 3 LYS HB+ 74 ASP HN 2.80 (# 275:15 Unique 2.35, 3.40 A)
&rst
ixpk= 275, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 47, 48,
&end
#
# 0 AMB 15-2:276 74 ASP HN 3.50 (# 276:15 Single Ambig)
&rst
ixpk= 276, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 50, 51, 53, 54,
&end
#
# 21 PHE HB- 21 PHE HN 3.50 (# 277:15 Unique 2.29, 2.98 A)
&rst
ixpk= 277, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 332, 333,
&end
#
# 83 GLY HA- 84 VAL HN 3.50 (# 280:15 Unique 2.64, 3.29 A)
&rst
ixpk= 280, nxpk= 15, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1211,1212,
&end
#
# 84 VAL HB 84 VAL HN 2.80 (# 281:15 Unique 2.36, 2.57 A)
&rst
ixpk= 281, nxpk= 15, iat=1220,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 105 ASP HB+ 105 ASP HN 2.80 (# 283:15 Unique 2.27, 2.58 A)
&rst
ixpk= 283, nxpk= 15, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1565,1566,
&end
#
# 61 THR HA 62 SER HN 2.80 (# 284:15 Unique 2.08, 2.39 A)
&rst
ixpk= 284, nxpk= 15, iat= 901, 913, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 THR HB 62 SER HN 3.50 (# 285:15 Unique 1.68, 2.44 A)
&rst
ixpk= 285, nxpk= 15, iat= 903, 913, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 THR MG2 62 SER HN 3.50 (# 286:15 Unique 2.50, 4.05 A)
&rst
ixpk= 286, nxpk= 15, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 905, 906, 907,
&end
#
# 58 SER HA 58 SER HN 2.80 (# 288:15 Unique 2.79, 2.88 A)
&rst
ixpk= 288, nxpk= 15, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 SER HB+ 58 SER HN 2.80 (# 289:15 Unique 2.55, 3.13 A)
&rst
ixpk= 289, nxpk= 15, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 868, 869,
&end
#
# 107 GLN HG+ 107 GLN HN 2.80 (# 290:15 Unique 2.24, 3.24 A)
&rst
ixpk= 290, nxpk= 15, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1587,1588,
&end
#
# 0 AMB 15-2:291 107 GLN HN 2.80 (# 291:15 Single Ambig)
&rst
ixpk= 291, nxpk= 15, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1584,1585,1587,1588,
&end
#
# 0 AMB 15-2:293 29 LYS HN 2.80 (# 293:15 Single Ambig)
&rst
ixpk= 293, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 432, 433, 422,
&end
#
# 0 AMB 15-2:294 0 AMB 15-1:294 4.50 (# 294:15 Double Ambig)
&rst
ixpk= 294, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1557,1995,1996,
igr2=1580, 437,
&end
#
# 98 ASP HA 78 SER HN 4.50 (# 295:15 Unique 2.36, 2.63 A)
&rst
ixpk= 295, nxpk= 15, iat=1450,1150, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ILE QG2 78 SER HN 4.50 (# 296:15 Unique 3.61, 4.34 A)
&rst
ixpk= 296, nxpk= 15, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1137,1138,1139,
&end
#
# 77 ILE HA 78 SER HN 2.80 (# 297:15 Unique 2.16, 2.26 A)
&rst
ixpk= 297, nxpk= 15, iat=1133,1150, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 LYS HA 29 LYS HN 2.80 (# 298:15 Unique 2.95, 2.95 A)
&rst
ixpk= 298, nxpk= 15, iat= 439, 437, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 LYS HB- 29 LYS HN 2.80 (# 299:15 Unique 2.36, 3.03 A)
&rst
ixpk= 299, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 441, 442,
&end
#
# 29 LYS HG+ 29 LYS HN 2.80 (# 300:15 Unique 2.87, 3.46 A)
&rst
ixpk= 300, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 444, 445,
&end
#
# 0 AMB 15-2:301 67 ASN HN 3.50 (# 301:15 Single Ambig)
&rst
ixpk= 301, nxpk= 15, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 988, 989, 943, 944,
&end
#
# 122 ARG HA 122 ARG HN 3.50 (# 302:15 Unique 2.89, 2.93 A)
&rst
ixpk= 302, nxpk= 15, iat=1835,1833, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 GLU HB- 122 ARG HN 2.80 (# 303:15 Unique 2.69, 3.34 A)
&rst
ixpk= 303, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1822,1823,
&end
#
# 122 ARG HG+ 122 ARG HN 3.50 (# 304:15 Unique 2.33, 3.67 A)
&rst
ixpk= 304, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1840,1841,
&end
#
# 122 ARG HG- 122 ARG HN 3.50 (# 305:15 Unique 2.33, 3.67 A)
&rst
ixpk= 305, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1840,1841,
&end
#
# 122 ARG HB+ 122 ARG HN 3.50 (# 306:15 Unique 2.33, 3.05 A)
&rst
ixpk= 306, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1837,1838,
&end
#
# 122 ARG HB- 122 ARG HN 3.50 (# 307:15 Unique 2.33, 3.05 A)
&rst
ixpk= 307, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1837,1838,
&end
#
# 125 ASN HA 125 ASN HN 2.80 (# 308:15 Unique 2.84, 2.84 A)
&rst
ixpk= 308, nxpk= 15, iat=1890,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:309 125 ASN HN 3.50 (# 309:15 Single Ambig)
&rst
ixpk= 309, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1875,1859,
&end
#
# 125 ASN HB+ 125 ASN HN 2.80 (# 310:15 Unique 2.24, 2.91 A)
&rst
ixpk= 310, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1892,1893,
&end
#
# 124 GLU HB+ 125 ASN HN 2.80 (# 311:15 Unique 2.86, 3.47 A)
&rst
ixpk= 311, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1877,1878,
&end
#
# 122 ARG HA 125 ASN HN 4.50 (# 312:15 Unique 3.18, 3.34 A)
&rst
ixpk= 312, nxpk= 15, iat=1835,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 124 GLU HB- 125 ASN HN 2.80 (# 313:15 Unique 2.86, 3.47 A)
&rst
ixpk= 313, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1877,1878,
&end
#
# 19 GLU HB+ 19 GLU HN 2.80 (# 314:15 Unique 2.29, 2.55 A)
&rst
ixpk= 314, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 310, 311,
&end
#
# 18 ALA MB 19 GLU HN 4.50 (# 315:15 Unique 2.64, 3.59 A)
&rst
ixpk= 315, nxpk= 15, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 300, 301, 302,
&end
#
# 0 AMB 15-2:316 73 TYR HN 3.50 (# 316:15 Single Ambig)
&rst
ixpk= 316, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1056,1044,
&end
#
# 73 TYR HA 73 TYR HN 3.50 (# 317:15 Unique 2.89, 2.91 A)
&rst
ixpk= 317, nxpk= 15, iat=1068,1066, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 TYR HB+ 73 TYR HN 3.50 (# 318:15 Unique 2.52, 3.12 A)
&rst
ixpk= 318, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1070,1071,
&end
#
# 73 TYR HB- 73 TYR HN 2.80 (# 319:15 Unique 2.52, 3.12 A)
&rst
ixpk= 319, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1070,1071,
&end
#
# 88 PRO HA 89 GLU HN 4.50 (# 320:15 Unique 3.41, 3.50 A)
&rst
ixpk= 320, nxpk= 15, iat=1289,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 GLU HA 89 GLU HN 2.80 (# 321:15 Unique 2.81, 2.84 A)
&rst
ixpk= 321, nxpk= 15, iat=1295,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 PRO HB+ 89 GLU HN 4.50 (# 322:15 Unique 3.10, 3.83 A)
&rst
ixpk= 322, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1286,1287,
&end
#
# 89 GLU HG+ 89 GLU HN 2.80 (# 323:15 Unique 1.85, 2.61 A)
&rst
ixpk= 323, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1300,1301,
&end
#
# 88 PRO HB- 89 GLU HN 4.50 (# 324:15 Unique 3.10, 3.83 A)
&rst
ixpk= 324, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1286,1287,
&end
#
# 89 GLU HB+ 89 GLU HN 2.80 (# 325:15 Unique 2.67, 3.18 A)
&rst
ixpk= 325, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1297,1298,
&end
#
# 89 GLU HB- 89 GLU HN 3.50 (# 326:15 Unique 2.67, 3.18 A)
&rst
ixpk= 326, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1297,1298,
&end
#
# 126 LEU HA 127 ILE HN 3.50 (# 327:15 Unique 3.51, 3.52 A)
&rst
ixpk= 327, nxpk= 15, iat=1904,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:328 127 ILE HN 3.50 (# 328:15 Single Ambig)
&rst
ixpk= 328, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1875,1859,
&end
#
# 127 ILE HA 127 ILE HN 3.50 (# 329:15 Unique 2.84, 2.85 A)
&rst
ixpk= 329, nxpk= 15, iat=1923,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 LEU HB+ 127 ILE HN 2.80 (# 330:15 Unique 2.92, 3.51 A)
&rst
ixpk= 330, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1906,1907,
&end
#
# 126 LEU HB- 127 ILE HN 3.50 (# 331:15 Unique 2.92, 3.51 A)
&rst
ixpk= 331, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1906,1907,
&end
#
# 127 ILE HB 127 ILE HN 2.80 (# 332:15 Unique 2.05, 2.08 A)
&rst
ixpk= 332, nxpk= 15, iat=1925,1921, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 126 LEU MDY 127 ILE HN 3.50 (# 333:15 Unique 2.39, 4.50 A)
&rst
ixpk= 333, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1911,1912,1913,1915,1916,1917,
&end
#
# 0 AMB 15-2:334 127 ILE HN 2.80 (# 334:15 Single Ambig)
&rst
ixpk= 334, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1931,1932,1909,
&end
#
# 0 AMB 15-2:335 127 ILE HN 3.50 (# 335:15 Single Ambig)
&rst
ixpk= 335, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1927,1928,1929, 465, 466, 467,
&end
#
# 127 ILE QD1 127 ILE HN 3.50 (# 336:15 Unique 3.08, 3.93 A)
&rst
ixpk= 336, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1934,1935,1936,
&end
#
# 110 GLU HA 113 ARG HN 4.50 (# 337:15 Unique 3.27, 3.44 A)
&rst
ixpk= 337, nxpk= 15, iat=1629,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 ARG HA 113 ARG HN 3.50 (# 338:15 Unique 2.85, 2.87 A)
&rst
ixpk= 338, nxpk= 15, iat=1680,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HB+ 113 ARG HN 3.50 (# 339:15 Unique 2.57, 2.98 A)
&rst
ixpk= 339, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1662,1663,
&end
#
# 0 AMB 15-2:340 113 ARG HN 4.50 (# 340:15 Single Ambig)
&rst
ixpk= 340, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1631,1632, 755, 756, 757,1584,1585,
&end
#
# 113 ARG HB+ 113 ARG HN 2.80 (# 341:15 Unique 2.54, 3.13 A)
&rst
ixpk= 341, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1682,1683,
&end
#
# 113 ARG HG+ 113 ARG HN 3.50 (# 342:15 Unique 2.04, 2.90 A)
&rst
ixpk= 342, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1685,1686,
&end
#
# 0 AMB 15-2:343 72 ASP HN 2.80 (# 343:15 Single Ambig)
&rst
ixpk= 343, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1056,1044,
&end
#
# 69 ASN HB+ 72 ASP HN 3.50 (# 344:15 Unique 3.32, 4.29 A)
&rst
ixpk= 344, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1022,1023,
&end
#
# 72 ASP HB+ 72 ASP HN 2.80 (# 345:15 Unique 2.44, 2.52 A)
&rst
ixpk= 345, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1058,1059,
&end
#
# 71 ASP HB+ 72 ASP HN 4.50 (# 346:15 Unique 2.88, 3.63 A)
&rst
ixpk= 346, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1046,1047,
&end
#
# 47 ILE HB 47 ILE HN 2.80 (# 347:15 Unique 2.21, 2.28 A)
&rst
ixpk= 347, nxpk= 15, iat= 702, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 ASP HB- 72 ASP HN 3.50 (# 348:15 Unique 2.88, 3.63 A)
&rst
ixpk= 348, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1046,1047,
&end
#
# 72 ASP HB- 72 ASP HN 2.80 (# 349:15 Unique 2.44, 2.52 A)
&rst
ixpk= 349, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1058,1059,
&end
#
# 81 GLY HA- 82 CYS HN 2.80 (# 353:15 Unique 2.84, 3.25 A)
&rst
ixpk= 353, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1193,1194,
&end
#
# 82 CYS HB+ 82 CYS HN 2.80 (# 354:15 Unique 2.26, 3.15 A)
&rst
ixpk= 354, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1202,1203,
&end
#
# 90 TRP HA 90 TRP HN 2.80 (# 355:15 Unique 2.85, 2.88 A)
&rst
ixpk= 355, nxpk= 15, iat=1310,1308, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 90 TRP HB+ 90 TRP HN 2.80 (# 357:15 Unique 2.30, 2.93 A)
&rst
ixpk= 357, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1312,1313,
&end
#
# 90 TRP HB- 90 TRP HN 2.80 (# 358:15 Unique 2.30, 2.93 A)
&rst
ixpk= 358, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1312,1313,
&end
#
# 89 GLU HG+ 90 TRP HN 3.50 (# 359:15 Unique 2.73, 4.16 A)
&rst
ixpk= 359, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1300,1301,
&end
#
# 89 GLU HB+ 90 TRP HN 3.50 (# 360:15 Unique 2.39, 3.39 A)
&rst
ixpk= 360, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1297,1298,
&end
#
# 108 SER HB+ 110 GLU HN 2.80 (# 361:15 Unique 2.70, 3.34 A)
&rst
ixpk= 361, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1601,1602,
&end
#
# 0 AMB 15-2:362 110 GLU HN 2.80 (# 362:15 Single Ambig)
&rst
ixpk= 362, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1601,1602,1629,
&end
#
# 110 GLU HG+ 110 GLU HN 3.50 (# 363:15 Unique 1.81, 2.32 A)
&rst
ixpk= 363, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1634,1635,
&end
#
# 0 AMB 15-2:365 110 GLU HN 2.80 (# 365:15 Single Ambig)
&rst
ixpk= 365, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1612,1613,1615,
&end
#
# 109 LEU HB- 110 GLU HN 4.50 (# 366:15 Unique 2.76, 3.32 A)
&rst
ixpk= 366, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1612,1613,
&end
#
# 91 VAL MGY 90 TRP HN 5.50 (# 367:15 Unique 3.23, 4.99 A)
&rst
ixpk= 367, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 70 ALA MB 90 TRP HN 4.50 (# 368:15 Unique 3.35, 4.30 A)
&rst
ixpk= 368, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1036,1037,1038,
&end
#
# 49 MET HA 52 GLU HN 4.50 (# 369:15 Unique 3.36, 3.51 A)
&rst
ixpk= 369, nxpk= 15, iat= 729, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ALA HA 52 GLU HN 4.50 (# 370:15 Unique 3.91, 4.06 A)
&rst
ixpk= 370, nxpk= 15, iat= 719, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLU HA 52 GLU HN 3.50 (# 371:15 Unique 3.53, 3.55 A)
&rst
ixpk= 371, nxpk= 15, iat= 763, 776, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 GLU HG+ 52 GLU HN 2.80 (# 372:15 Unique 2.49, 3.01 A)
&rst
ixpk= 372, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 783, 784,
&end
#
# 0 AMB 15-2:373 52 GLU HN 3.50 (# 373:15 Single Ambig)
&rst
ixpk= 373, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 783, 784, 765, 766,
&end
#
# 0 AMB 15-2:374 52 GLU HN 2.80 (# 374:15 Single Ambig)
&rst
ixpk= 374, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 765, 766, 768, 769,
&end
#
# 0 AMB 15-2:375 23 LYS HN 2.80 (# 375:15 Single Ambig)
&rst
ixpk= 375, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 360, 384,
&end
#
# 22 ALA HA 23 LYS HN 4.50 (# 376:15 Unique 3.61, 3.65 A)
&rst
ixpk= 376, nxpk= 15, iat= 350, 358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 LYS HB+ 23 LYS HN 2.80 (# 377:15 Unique 2.37, 3.06 A)
&rst
ixpk= 377, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 362, 363,
&end
#
# 23 LYS HB- 23 LYS HN 2.80 (# 378:15 Unique 2.37, 3.06 A)
&rst
ixpk= 378, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 362, 363,
&end
#
# 22 ALA MB 23 LYS HN 2.80 (# 379:15 Unique 2.71, 3.59 A)
&rst
ixpk= 379, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 352, 353, 354,
&end
#
# 23 LYS HG- 23 LYS HN 3.50 (# 380:15 Unique 2.29, 3.08 A)
&rst
ixpk= 380, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 365, 366,
&end
#
# 32 VAL MGX 23 LYS HN 4.50 (# 381:15 Unique 2.52, 4.09 A)
&rst
ixpk= 381, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL MGY 23 LYS HN 3.50 (# 382:15 Unique 2.52, 4.09 A)
&rst
ixpk= 382, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 33 THR HA 34 SER HN 2.80 (# 384:15 Unique 2.33, 2.41 A)
&rst
ixpk= 384, nxpk= 15, iat= 506, 518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:385 34 SER HN 3.50 (# 385:15 Single Ambig)
&rst
ixpk= 385, nxpk= 15, iat= -1, 518, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 522, 523, 508,
&end
#
# 33 THR MG2 34 SER HN 2.80 (# 386:15 Unique 2.19, 3.20 A)
&rst
ixpk= 386, nxpk= 15, iat= -1, 518, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 510, 511, 512,
&end
#
# 129 LYS HA 129 LYS HN 2.80 (# 387:15 Unique 2.86, 2.87 A)
&rst
ixpk= 387, nxpk= 15, iat=1952,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HA 129 LYS HN 3.50 (# 388:15 Unique 3.52, 3.53 A)
&rst
ixpk= 388, nxpk= 15, iat=1942,1950, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 LYS HB+ 129 LYS HN 2.80 (# 389:15 Unique 2.46, 3.06 A)
&rst
ixpk= 389, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1954,1955,
&end
#
# 129 LYS HD+ 129 LYS HN 4.50 (# 390:15 Unique 3.72, 4.21 A)
&rst
ixpk= 390, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1960,1961,
&end
#
# 0 AMB 15-2:391 129 LYS HN 2.80 (# 391:15 Single Ambig)
&rst
ixpk= 391, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1944,1945,1946,1982,1983,
&end
#
# 0 AMB 15-2:392 129 LYS HN 4.50 (# 392:15 Single Ambig)
&rst
ixpk= 392, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1978,1979,1980,1407,1408,1409,1927,1928,1929,
&end
#
# 49 MET HA 49 MET HN 3.50 (# 393:15 Unique 2.82, 2.84 A)
&rst
ixpk= 393, nxpk= 15, iat= 729, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HG+ 49 MET HN 2.80 (# 394:15 Unique 2.31, 3.02 A)
&rst
ixpk= 394, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 734, 735,
&end
#
# 49 MET HB+ 49 MET HN 2.80 (# 395:15 Unique 2.27, 2.96 A)
&rst
ixpk= 395, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 731, 732,
&end
#
# 49 MET HB- 49 MET HN 4.50 (# 396:15 Unique 2.27, 2.96 A)
&rst
ixpk= 396, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 731, 732,
&end
#
# 48 ALA MB 49 MET HN 2.80 (# 397:15 Unique 2.41, 3.37 A)
&rst
ixpk= 397, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 721, 722, 723,
&end
#
# 121 GLU HA 121 GLU HN 2.80 (# 398:15 Unique 2.83, 2.86 A)
&rst
ixpk= 398, nxpk= 15, iat=1820,1818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LYS HA 121 GLU HN 4.50 (# 399:15 Unique 3.52, 3.55 A)
&rst
ixpk= 399, nxpk= 15, iat=1798,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 GLU HG- 121 GLU HN 3.50 (# 400:15 Unique 2.04, 2.82 A)
&rst
ixpk= 400, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1825,1826,
&end
#
# 121 GLU HB+ 121 GLU HN 2.80 (# 401:15 Unique 1.94, 3.08 A)
&rst
ixpk= 401, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1822,1823,
&end
#
# 120 LYS HB+ 121 GLU HN 5.50 (# 402:15 Unique 2.20, 3.01 A)
&rst
ixpk= 402, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1800,1801,
&end
#
# 120 LYS HG+ 121 GLU HN 4.50 (# 403:15 Unique 2.91, 4.20 A)
&rst
ixpk= 403, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 120 LYS HB- 121 GLU HN 3.50 (# 404:15 Unique 2.20, 3.01 A)
&rst
ixpk= 404, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1800,1801,
&end
#
# 121 GLU HG+ 121 GLU HN 3.50 (# 405:15 Unique 2.04, 2.82 A)
&rst
ixpk= 405, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1825,1826,
&end
#
# 0 AMB 15-2:406 75 VAL HN 2.80 (# 406:15 Single Ambig)
&rst
ixpk= 406, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 67,1089,
&end
#
# 75 VAL HA 75 VAL HN 3.50 (# 407:15 Unique 2.92, 2.97 A)
&rst
ixpk= 407, nxpk= 15, iat=1101,1099, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASP HB+ 75 VAL HN 3.50 (# 408:15 Unique 2.87, 3.52 A)
&rst
ixpk= 408, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1091,1092,
&end
#
# 73 TYR HB+ 75 VAL HN 3.50 (# 409:15 Unique 2.41, 3.00 A)
&rst
ixpk= 409, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1070,1071,
&end
#
# 0 AMB 15-2:410 75 VAL HN 2.80 (# 410:15 Single Ambig)
&rst
ixpk= 410, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1070,1071,1091,1092,
&end
#
# 75 VAL HB 75 VAL HN 2.80 (# 411:15 Unique 2.55, 2.62 A)
&rst
ixpk= 411, nxpk= 15, iat=1103,1099, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:412 75 VAL HN 4.50 (# 412:15 Single Ambig)
&rst
ixpk= 412, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 47, 48,1398, 69,
&end
#
# 75 VAL MGX 75 VAL HN 4.50 (# 413:15 Unique 3.15, 4.29 A)
&rst
ixpk= 413, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 0 AMB 15-2:414 75 VAL HN 3.50 (# 414:15 Single Ambig)
&rst
ixpk= 414, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 73 TYR HA 75 VAL HN 4.50 (# 415:15 Unique 4.03, 4.25 A)
&rst
ixpk= 415, nxpk= 15, iat=1068,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 SER HA 35 CYS HN 3.50 (# 416:15 Unique 2.15, 2.33 A)
&rst
ixpk= 416, nxpk= 15, iat= 520, 529, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 GLY HA- 106 GLY HN 3.50 (# 418:15 Unique 2.25, 2.52 A)
&rst
ixpk= 418, nxpk= 15, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1575,1576,
&end
#
# 0 AMB 15-2:419 106 GLY HN 2.80 (# 419:15 Single Ambig)
&rst
ixpk= 419, nxpk= 15, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1563,1575,1576,
&end
#
# 40 SER HA 40 SER HN 4.50 (# 420:15 Unique 2.17, 2.51 A)
&rst
ixpk= 420, nxpk= 15, iat= 594, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 GLN HG+ 107 GLN HE2+ 3.50 (# 421:15 Unique 2.16, 3.14 A)
&rst
ixpk= 421, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1587,1588,
igr2=1592,1593,
&end
#
# 0 AMB 15-2:422 0 AMB 15-1:422 3.50 (# 422:15 Double Ambig)
&rst
ixpk= 422, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1584,1585,1587,1588,
igr2=1592,1593,1592,1593,
&end
#
# 107 GLN HG+ 107 GLN HE2- 4.50 (# 424:15 Unique 2.16, 3.14 A)
&rst
ixpk= 424, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1587,1588,
igr2=1592,1593,
&end
#
# 0 AMB 15-2:425 107 GLN HE2- 3.50 (# 425:15 Single Ambig)
&rst
ixpk= 425, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1584,1585,1587,1588,
igr2=1592,1593,
&end
#
# 111 VAL MGX 107 GLN HE2- 4.50 (# 426:15 Unique 2.20, 3.96 A)
&rst
ixpk= 426, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1592,1593,
&end
#
# 108 SER HA 108 SER HN 2.80 (# 428:15 Unique 2.88, 2.90 A)
&rst
ixpk= 428, nxpk= 15, iat=1599,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 SER HB- 108 SER HN 2.80 (# 429:15 Unique 2.45, 3.09 A)
&rst
ixpk= 429, nxpk= 15, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1601,1602,
&end
#
# 107 GLN HB+ 108 SER HN 2.80 (# 430:15 Unique 1.85, 2.92 A)
&rst
ixpk= 430, nxpk= 15, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1584,1585,
&end
#
# 111 VAL MGY 108 SER HN 3.50 (# 431:15 Unique 3.13, 4.98 A)
&rst
ixpk= 431, nxpk= 15, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL MGX 108 SER HN 4.50 (# 432:15 Unique 3.13, 4.98 A)
&rst
ixpk= 432, nxpk= 15, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 75 VAL HA 95 ILE HN 2.80 (# 433:15 Unique 2.35, 2.40 A)
&rst
ixpk= 433, nxpk= 15, iat=1101,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 ILE HA 95 ILE HN 3.50 (# 434:15 Unique 2.99, 3.00 A)
&rst
ixpk= 434, nxpk= 15, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ASP HB- 95 ILE HN 4.50 (# 435:15 Unique 4.38, 5.02 A)
&rst
ixpk= 435, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1091,1092,
&end
#
# 0 AMB 15-2:436 95 ILE HN 3.50 (# 436:15 Single Ambig)
&rst
ixpk= 436, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1383,1384,1386,1387,
&end
#
# 95 ILE HB 95 ILE HN 2.80 (# 437:15 Unique 2.61, 2.70 A)
&rst
ixpk= 437, nxpk= 15, iat=1398,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 ILE HG1- 95 ILE HN 3.50 (# 438:15 Unique 3.10, 3.75 A)
&rst
ixpk= 438, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1404,1405,
&end
#
# 95 ILE HG1+ 95 ILE HN 4.50 (# 439:15 Unique 3.10, 3.75 A)
&rst
ixpk= 439, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 75 VAL MGX 95 ILE HN 3.50 (# 440:15 Unique 2.13, 3.94 A)
&rst
ixpk= 440, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 0 AMB 15-2:442 0 AMB 15-1:442 2.80 (# 442:15 Double Ambig)
&rst
ixpk= 442, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 384,1044,
igr2= 380,1374,1375,
&end
#
# 0 AMB 15-2:443 24 THR HN 3.50 (# 443:15 Single Ambig)
&rst
ixpk= 443, nxpk= 15, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,
&end
#
# 93 GLN HG- 93 GLN HE2+ 2.80 (# 444:15 Unique 2.21, 3.27 A)
&rst
ixpk= 444, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1369,1370,
igr2=1374,1375,
&end
#
# 69 ASN HB+ 69 ASN HD2+ 3.50 (# 445:15 Unique 2.13, 3.43 A)
&rst
ixpk= 445, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1022,1023,
igr2=1027,1028,
&end
#
# 69 ASN HB- 69 ASN HD2+ 3.50 (# 446:15 Unique 2.13, 3.43 A)
&rst
ixpk= 446, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1022,1023,
igr2=1027,1028,
&end
#
# 70 ALA MB 93 GLN HE2+ 3.50 (# 447:15 Unique 2.89, 4.14 A)
&rst
ixpk= 447, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1036,1037,1038,
igr2=1374,1375,
&end
#
# 69 ASN HB+ 69 ASN HD2- 4.50 (# 449:15 Unique 2.13, 3.43 A)
&rst
ixpk= 449, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,
igr2=1027,1028,
&end
#
# 0 AMB 15-2:450 69 ASN HD2- 4.50 (# 450:15 Single Ambig)
&rst
ixpk= 450, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1058,1059,1022,1023,
igr2=1027,1028,
&end
#
# 71 ASP HB- 69 ASN HD2- 4.50 (# 451:15 Unique 2.24, 5.21 A)
&rst
ixpk= 451, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1046,1047,
igr2=1027,1028,
&end
#
# 71 ASP HA 93 GLN HE2- 3.50 (# 452:15 Unique 2.19, 2.56 A)
&rst
ixpk= 452, nxpk= 15, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1374,1375,
&end
#
# 93 GLN HG+ 93 GLN HE2- 3.50 (# 453:15 Unique 2.21, 3.27 A)
&rst
ixpk= 453, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1369,1370,
igr2=1374,1375,
&end
#
# 93 GLN HG- 93 GLN HE2- 3.50 (# 454:15 Unique 2.21, 3.27 A)
&rst
ixpk= 454, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1369,1370,
igr2=1374,1375,
&end
#
# 70 ALA MB 93 GLN HE2- 3.50 (# 455:15 Unique 2.89, 4.14 A)
&rst
ixpk= 455, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1036,1037,1038,
igr2=1374,1375,
&end
#
# 85 ASN HB- 85 ASN HD2- 3.50 (# 456:15 Unique 2.30, 3.41 A)
&rst
ixpk= 456, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1236,1237,
igr2=1241,1242,
&end
#
# 85 ASN HB- 85 ASN HD2+ 4.50 (# 457:15 Unique 2.30, 3.41 A)
&rst
ixpk= 457, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1236,1237,
igr2=1241,1242,
&end
#
# 82 CYS HA 83 GLY HN 3.50 (# 459:15 Unique 2.40, 3.03 A)
&rst
ixpk= 459, nxpk= 15, iat=1200,1209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 GLY HA- 83 GLY HN 3.50 (# 460:15 Unique 2.29, 2.72 A)
&rst
ixpk= 460, nxpk= 15, iat= -1,1209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1211,1212,
&end
#
# 122 ARG HA 125 ASN HD2+ 4.50 (# 461:15 Unique 3.00, 4.06 A)
&rst
ixpk= 461, nxpk= 15, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1897,1898,
&end
#
# 125 ASN HB+ 125 ASN HD2+ 2.80 (# 462:15 Unique 2.43, 3.45 A)
&rst
ixpk= 462, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1892,1893,
igr2=1897,1898,
&end
#
# 125 ASN HB+ 125 ASN HD2- 3.50 (# 463:15 Unique 2.43, 3.45 A)
&rst
ixpk= 463, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1892,1893,
igr2=1897,1898,
&end
#
# 0 AMB 15-2:464 125 ASN HD2- 4.50 (# 464:15 Single Ambig)
&rst
ixpk= 464, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1825,1826,1880,1881,
igr2=1897,1898,
&end
#
# 100 GLN HG+ 100 GLN HE2+ 3.50 (# 465:15 Unique 2.22, 3.42 A)
&rst
ixpk= 465, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1491,1492,
igr2=1496,1497,
&end
#
# 0 AMB 15-2:466 0 AMB 15-1:466 3.50 (# 466:15 Double Ambig)
&rst
ixpk= 466, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1491,1492,1165,1166,
igr2=1496,1497,1496,1497,
&end
#
# 38 GLU HA 39 SER HN 3.50 (# 467:15 Unique 2.06, 2.92 A)
&rst
ixpk= 467, nxpk= 15, iat= 568, 581, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 GLU HG+ 39 SER HN 4.50 (# 468:15 Unique 1.86, 4.34 A)
&rst
ixpk= 468, nxpk= 15, iat= -1, 581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 573, 574,
&end
#
# 27 ALA HA 28 GLY HN 2.80 (# 469:15 Unique 2.13, 2.15 A)
&rst
ixpk= 469, nxpk= 15, iat= 422, 430, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 28 GLY HA- 28 GLY HN 3.50 (# 470:15 Unique 2.30, 2.60 A)
&rst
ixpk= 470, nxpk= 15, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 432, 433,
&end
#
# 27 ALA MB 28 GLY HN 4.50 (# 471:15 Unique 3.35, 4.01 A)
&rst
ixpk= 471, nxpk= 15, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 424, 425, 426,
&end
#
# 130 ILE HA 130 ILE HN 2.80 (# 472:15 Unique 2.87, 2.89 A)
&rst
ixpk= 472, nxpk= 15, iat=1974,1972, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:473 130 ILE HN 3.50 (# 473:15 Single Ambig)
&rst
ixpk= 473, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1952,1993,
&end
#
# 127 ILE HA 130 ILE HN 3.50 (# 474:15 Unique 3.27, 3.45 A)
&rst
ixpk= 474, nxpk= 15, iat=1923,1972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 ILE HB 130 ILE HN 3.50 (# 475:15 Unique 3.47, 3.50 A)
&rst
ixpk= 475, nxpk= 15, iat=1976,1972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 ILE HG1+ 130 ILE HN 2.80 (# 476:15 Unique 1.88, 2.22 A)
&rst
ixpk= 476, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1982,1983,
&end
#
# 130 ILE HG1- 130 ILE HN 2.80 (# 477:15 Unique 1.88, 2.22 A)
&rst
ixpk= 477, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1982,1983,
&end
#
# 0 AMB 15-2:478 130 ILE HN 2.80 (# 478:15 Single Ambig)
&rst
ixpk= 478, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1978,1979,1980,1407,1408,1409,
&end
#
# 0 AMB 15-2:479 130 ILE HN 3.50 (# 479:15 Single Ambig)
&rst
ixpk= 479, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
&end
#
# 59 GLY HA+ 59 GLY HN 3.50 (# 480:15 Unique 2.25, 2.58 A)
&rst
ixpk= 480, nxpk= 15, iat= -1, 875, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 877, 878,
&end
#
# 59 GLY HA- 59 GLY HN 3.50 (# 481:15 Unique 2.25, 2.58 A)
&rst
ixpk= 481, nxpk= 15, iat= -1, 875, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 877, 878,
&end
#
# 29 LYS HB- 30 ILE HN 3.50 (# 482:15 Unique 2.43, 3.13 A)
&rst
ixpk= 482, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 441, 442,
&end
#
# 0 AMB 15-2:483 30 ILE HN 4.50 (# 483:15 Single Ambig)
&rst
ixpk= 483, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 15, 16, 17, 482, 483, 484,
&end
#
# 30 ILE HG1- 30 ILE HN 3.50 (# 484:15 Unique 2.43, 2.85 A)
&rst
ixpk= 484, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 469, 470,
&end
#
# 0 AMB 15-2:485 92 THR HN 2.80 (# 485:15 Single Ambig)
&rst
ixpk= 485, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1350,1352,
&end
#
# 0 AMB 15-2:486 92 THR HN 3.50 (# 486:15 Single Ambig)
&rst
ixpk= 486, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1334,1044,
&end
#
# 92 THR MG2 92 THR HN 2.80 (# 487:15 Unique 1.89, 3.15 A)
&rst
ixpk= 487, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1354,1355,1356,
&end
#
# 91 VAL MGX 92 THR HN 3.50 (# 488:15 Unique 2.66, 4.70 A)
&rst
ixpk= 488, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 0 AMB 15-2:490 0 AMB 15-1:490 3.50 (# 490:15 Double Ambig)
&rst
ixpk= 490, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 988, 989, 943, 944,
igr2= 993, 994, 993, 994,
&end
#
# 64 PRO HD+ 67 ASN HD2- 3.50 (# 491:15 Unique 2.25, 4.31 A)
&rst
ixpk= 491, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 937, 938,
igr2= 993, 994,
&end
#
# 0 AMB 15-2:492 67 ASN HD2- 3.50 (# 492:15 Single Ambig)
&rst
ixpk= 492, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 988, 989, 943, 944,
igr2= 993, 994,
&end
#
# 64 PRO HB- 67 ASN HD2- 4.50 (# 493:15 Unique 3.51, 5.39 A)
&rst
ixpk= 493, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 993, 994,
&end
#
# 60 GLN HB+ 61 THR HN 2.80 (# 495:15 Unique 1.94, 3.23 A)
&rst
ixpk= 495, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 886, 887,
&end
#
# 61 THR MG2 61 THR HN 3.50 (# 496:15 Unique 2.03, 3.81 A)
&rst
ixpk= 496, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 905, 906, 907,
&end
#
# 69 ASN HA 71 ASP HN 4.50 (# 497:15 Unique 3.36, 3.48 A)
&rst
ixpk= 497, nxpk= 15, iat=1020,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASP HA 71 ASP HN 2.80 (# 498:15 Unique 2.80, 2.81 A)
&rst
ixpk= 498, nxpk= 15, iat=1044,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 ASN HB+ 71 ASP HN 4.50 (# 499:15 Unique 3.48, 4.49 A)
&rst
ixpk= 499, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1022,1023,
&end
#
# 0 AMB 15-2:500 71 ASP HN 4.50 (# 500:15 Single Ambig)
&rst
ixpk= 500, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,1058,1059,
&end
#
# 71 ASP HB+ 71 ASP HN 2.80 (# 501:15 Unique 2.05, 2.50 A)
&rst
ixpk= 501, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1046,1047,
&end
#
# 71 ASP HB- 71 ASP HN 2.80 (# 502:15 Unique 2.05, 2.50 A)
&rst
ixpk= 502, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1046,1047,
&end
#
# 70 ALA HA 71 ASP HN 4.50 (# 503:15 Unique 3.46, 3.50 A)
&rst
ixpk= 503, nxpk= 15, iat=1034,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 ALA MB 71 ASP HN 2.80 (# 504:15 Unique 2.95, 3.63 A)
&rst
ixpk= 504, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1036,1037,1038,
&end
#
# 54 GLY HA+ 54 GLY HN 2.80 (# 506:15 Unique 2.25, 2.56 A)
&rst
ixpk= 506, nxpk= 15, iat= -1, 807, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 809, 810,
&end
#
# 54 GLY HA- 54 GLY HN 2.80 (# 507:15 Unique 2.25, 2.56 A)
&rst
ixpk= 507, nxpk= 15, iat= -1, 807, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 809, 810,
&end
#
# 0 AMB 15-2:508 54 GLY HN 3.50 (# 508:15 Single Ambig)
&rst
ixpk= 508, nxpk= 15, iat= -1, 807, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1= 797, 798, 799, 801, 802, 803, 818,
&end
#
# 91 VAL HA 91 VAL HN 2.80 (# 509:15 Unique 2.90, 2.93 A)
&rst
ixpk= 509, nxpk= 15, iat=1334,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL MGX 91 VAL HN 3.50 (# 510:15 Unique 1.98, 3.34 A)
&rst
ixpk= 510, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 91 VAL MGY 91 VAL HN 3.50 (# 511:15 Unique 1.98, 3.34 A)
&rst
ixpk= 511, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 118 GLN HG+ 118 GLN HE2+ 3.50 (# 513:15 Unique 2.21, 3.23 A)
&rst
ixpk= 513, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1770,1771,
igr2=1775,1776,
&end
#
# 118 GLN HG- 118 GLN HE2+ 2.80 (# 514:15 Unique 2.21, 3.23 A)
&rst
ixpk= 514, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1770,1771,
igr2=1775,1776,
&end
#
# 81 GLY HA- 81 GLY HN 3.50 (# 516:15 Unique 2.24, 2.60 A)
&rst
ixpk= 516, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1193,1194,
&end
#
# 52 GLU HA 53 VAL HN 3.50 (# 517:15 Unique 3.20, 3.45 A)
&rst
ixpk= 517, nxpk= 15, iat= 778, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 GLU HA 53 VAL HN 3.50 (# 518:15 Unique 3.43, 3.54 A)
&rst
ixpk= 518, nxpk= 15, iat= 763, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 VAL HB 53 VAL HN 3.50 (# 519:15 Unique 2.37, 3.44 A)
&rst
ixpk= 519, nxpk= 15, iat= 795, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:520 53 VAL HN 4.50 (# 520:15 Single Ambig)
&rst
ixpk= 520, nxpk= 15, iat= -1, 791, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 765, 766, 768, 769, 751, 752,
&end
#
# 53 VAL MGX 53 VAL HN 2.80 (# 521:15 Unique 2.19, 3.68 A)
&rst
ixpk= 521, nxpk= 15, iat= -1, 791, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 26 GLY HA- 26 GLY HN 2.80 (# 523:15 Unique 2.24, 2.60 A)
&rst
ixpk= 523, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 415, 416,
&end
#
# 25 LEU HB+ 26 GLY HN 2.80 (# 524:15 Unique 2.55, 3.15 A)
&rst
ixpk= 524, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 398, 399,
&end
#
# 26 GLY HA+ 26 GLY HN 2.80 (# 525:15 Unique 2.24, 2.60 A)
&rst
ixpk= 525, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 415, 416,
&end
#
# 127 ILE QD1 26 GLY HN 3.50 (# 526:15 Unique 2.46, 3.69 A)
&rst
ixpk= 526, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1934,1935,1936,
&end
#
# 20 GLY HA- 20 GLY HN 2.80 (# 527:15 Unique 2.25, 2.57 A)
&rst
ixpk= 527, nxpk= 15, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 323, 324,
&end
#
# 20 GLY HA+ 20 GLY HN 2.80 (# 528:15 Unique 2.25, 2.57 A)
&rst
ixpk= 528, nxpk= 15, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 323, 324,
&end
#
# 19 GLU HB+ 20 GLY HN 2.80 (# 529:15 Unique 2.79, 3.45 A)
&rst
ixpk= 529, nxpk= 15, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 310, 311,
&end
#
# 117 GLY HA- 117 GLY HN 2.80 (# 530:15 Unique 2.29, 2.59 A)
&rst
ixpk= 530, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1758,1759,
&end
#
# 0 AMB 15-2:531 117 GLY HN 3.50 (# 531:15 Single Ambig)
&rst
ixpk= 531, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1736,1737,1767,1768,
&end
#
# 117 GLY HA+ 117 GLY HN 2.80 (# 532:15 Unique 2.29, 2.59 A)
&rst
ixpk= 532, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1758,1759,
&end
#
# 116 ARG HG- 117 GLY HN 3.50 (# 533:15 Unique 2.12, 2.93 A)
&rst
ixpk= 533, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1739,1740,
&end
#
# 99 TRP HD1 99 TRP HE1 3.50 (# 534:15 Unique 2.52, 2.54 A)
&rst
ixpk= 534, nxpk= 15, iat=1468,1470, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HZ2 90 TRP HE1 3.50 (# 535:15 Unique 2.85, 2.87 A)
&rst
ixpk= 535, nxpk= 15, iat=1321,1318, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HD1 90 TRP HE1 2.80 (# 536:15 Unique 2.56, 2.57 A)
&rst
ixpk= 536, nxpk= 15, iat=1316,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 122 ARG HN 123 VAL HN 2.80 (# 537:15 Unique 2.45, 2.54 A)
&rst
ixpk= 537, nxpk= 15, iat=1833,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 GLY HN 25 LEU HN 3.50 (# 538:15 Unique 2.50, 2.55 A)
&rst
ixpk= 538, nxpk= 15, iat= 413, 394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 THR HN 25 LEU HN 4.50 (# 539:15 Unique 2.67, 2.76 A)
&rst
ixpk= 539, nxpk= 15, iat= 380, 394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:540 0 AMB 15-1:540 2.80 (# 540:15 Double Ambig)
&rst
ixpk= 540, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1888,1756,
igr2=1873,1732,
&end
#
# 120 LYS HN 119 VAL HN 3.50 (# 541:15 Unique 2.47, 2.59 A)
&rst
ixpk= 541, nxpk= 15, iat=1796,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HN 119 VAL HN 2.80 (# 542:15 Unique 2.22, 2.45 A)
&rst
ixpk= 542, nxpk= 15, iat=1763,1780, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 GLU HN 109 LEU HN 3.50 (# 543:15 Unique 2.55, 2.60 A)
&rst
ixpk= 543, nxpk= 15, iat=1627,1608, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 PHE HD 69 ASN HN 3.50 (# 544:15 Unique 2.83, 4.37 A)
&rst
ixpk= 544, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1006,1014,
&end
#
# 69 ASN HD2- 69 ASN HN 3.50 (# 545:15 Unique 2.96, 3.87 A)
&rst
ixpk= 545, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1027,1028,
&end
#
# 90 TRP HN 89 GLU HN 2.80 (# 546:15 Unique 2.42, 2.63 A)
&rst
ixpk= 546, nxpk= 15, iat=1308,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 THR HN 113 ARG HN 3.50 (# 547:15 Unique 2.72, 2.80 A)
&rst
ixpk= 547, nxpk= 15, iat=1702,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HN 113 ARG HN 3.50 (# 548:15 Unique 2.81, 2.91 A)
&rst
ixpk= 548, nxpk= 15, iat=1658,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 THR HN 23 LYS HN 2.80 (# 549:15 Unique 2.55, 2.60 A)
&rst
ixpk= 549, nxpk= 15, iat= 380, 358, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 48 ALA HN 49 MET HN 3.50 (# 550:15 Unique 2.75, 2.80 A)
&rst
ixpk= 550, nxpk= 15, iat= 717, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 PHE HD 97 GLU HN 4.50 (# 551:15 Unique 2.19, 3.92 A)
&rst
ixpk= 551, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1421,1429,
&end
#
# 53 VAL HN 55 ILE HN 3.50 (# 552:15 Unique 3.25, 3.36 A)
&rst
ixpk= 552, nxpk= 15, iat= 791, 814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 THR HN 93 GLN HN 3.50 (# 553:15 Unique 2.45, 2.76 A)
&rst
ixpk= 553, nxpk= 15, iat=1348,1362, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 PHE HD 112 PHE HN 2.80 (# 554:15 Unique 2.03, 3.70 A)
&rst
ixpk= 554, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1666,1674,
&end
#
# 73 TYR HD 73 TYR HN 2.80 (# 555:15 Unique 2.04, 3.61 A)
&rst
ixpk= 555, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1074,1083,
&end
#
# 69 ASN HD2- 72 ASP HN 3.50 (# 556:15 Unique 1.77, 3.08 A)
&rst
ixpk= 556, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1027,1028,
&end
#
# 0 AMB 15-2:557 90 TRP HN 2.80 (# 557:15 Single Ambig)
&rst
ixpk= 557, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1316,1332,
&end
#
# 53 VAL HN 52 GLU HN 2.80 (# 558:15 Unique 2.73, 2.81 A)
&rst
ixpk= 558, nxpk= 15, iat= 791, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HE2+ 71 ASP HN 4.50 (# 565:15 Unique 3.68, 4.14 A)
&rst
ixpk= 565, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1374,1375,
&end
#
# 53 VAL HN 54 GLY HN 2.80 (# 566:15 Unique 1.95, 2.20 A)
&rst
ixpk= 566, nxpk= 15, iat= 791, 807, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 ALA HN 26 GLY HN 3.50 (# 567:15 Unique 2.76, 2.82 A)
&rst
ixpk= 567, nxpk= 15, iat= 420, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 ASP HN 70 ALA HN 2.80 (# 568:15 Unique 2.70, 2.82 A)
&rst
ixpk= 568, nxpk= 15, iat=1042,1032, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 GLU HN 51 GLU HN 3.50 (# 569:15 Unique 2.53, 2.65 A)
&rst
ixpk= 569, nxpk= 15, iat= 776, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 GLU HN 120 LYS HN 2.80 (# 570:15 Unique 2.87, 2.91 A)
&rst
ixpk= 570, nxpk= 15, iat=1818,1796, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HN 112 PHE HN 2.80 (# 571:15 Unique 2.60, 2.66 A)
&rst
ixpk= 571, nxpk= 15, iat=1642,1658, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:572 68 PHE HN 3.50 (# 572:15 Single Ambig)
&rst
ixpk= 572, nxpk= 15, iat= -1, 998, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1006,1014,1321,
&end
#
# 30 ILE HN 29 LYS HN 2.80 (# 573:15 Unique 1.83, 1.89 A)
&rst
ixpk= 573, nxpk= 15, iat= 459, 437, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 ALA HN 127 ILE HN 2.80 (# 574:15 Unique 2.77, 2.79 A)
&rst
ixpk= 574, nxpk= 15, iat=1940,1921, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 ALA HN 47 ILE HN 3.50 (# 575:15 Unique 2.44, 2.53 A)
&rst
ixpk= 575, nxpk= 15, iat= 688, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HN 47 ILE HN 3.50 (# 576:15 Unique 2.84, 2.88 A)
&rst
ixpk= 576, nxpk= 15, iat= 717, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HE3 90 TRP HN 5.50 (# 577:15 Unique 5.11, 5.28 A)
&rst
ixpk= 577, nxpk= 15, iat=1327,1308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 GLN HN 59 GLY HN 3.50 (# 579:15 Unique 2.62, 2.95 A)
&rst
ixpk= 579, nxpk= 15, iat= 882, 875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HN 48 ALA HN 3.50 (# 580:15 Unique 2.75, 2.80 A)
&rst
ixpk= 580, nxpk= 15, iat= 727, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 VAL HN 118 GLN HN 2.80 (# 581:15 Unique 2.22, 2.45 A)
&rst
ixpk= 581, nxpk= 15, iat=1780,1763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 127 ILE HN 126 LEU HN 3.50 (# 582:15 Unique 2.61, 2.64 A)
&rst
ixpk= 582, nxpk= 15, iat=1921,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 ARG HN 114 THR HN 2.80 (# 583:15 Unique 2.72, 2.80 A)
&rst
ixpk= 583, nxpk= 15, iat=1678,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 VAL HN 120 LYS HN 3.50 (# 585:15 Unique 2.47, 2.59 A)
&rst
ixpk= 585, nxpk= 15, iat=1780,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 ARG HN 112 PHE HN 3.50 (# 586:15 Unique 2.81, 2.91 A)
&rst
ixpk= 586, nxpk= 15, iat=1678,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 3 LYS HN 74 ASP HN 3.50 (# 587:15 Unique 2.33, 2.59 A)
&rst
ixpk= 587, nxpk= 15, iat= 43,1087, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 GLY HN 84 VAL HN 3.50 (# 588:15 Unique 1.83, 2.40 A)
&rst
ixpk= 588, nxpk= 15, iat=1209,1216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 GLY HN 107 GLN HN 3.50 (# 589:15 Unique 2.81, 2.98 A)
&rst
ixpk= 589, nxpk= 15, iat=1573,1580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 GLY HN 29 LYS HN 4.50 (# 590:15 Unique 2.66, 2.68 A)
&rst
ixpk= 590, nxpk= 15, iat= 430, 437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 VAL HN 122 ARG HN 3.50 (# 591:15 Unique 2.45, 2.54 A)
&rst
ixpk= 591, nxpk= 15, iat=1857,1833, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 GLU HN 125 ASN HN 2.80 (# 592:15 Unique 2.72, 2.76 A)
&rst
ixpk= 592, nxpk= 15, iat=1873,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 GLU HN 90 TRP HN 2.80 (# 593:15 Unique 2.42, 2.63 A)
&rst
ixpk= 593, nxpk= 15, iat=1293,1308, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 109 LEU HN 110 GLU HN 3.50 (# 594:15 Unique 2.55, 2.60 A)
&rst
ixpk= 594, nxpk= 15, iat=1608,1627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:595 24 THR HN 2.80 (# 595:15 Single Ambig)
&rst
ixpk= 595, nxpk= 15, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 358, 394,
&end
#
# 25 LEU HN 26 GLY HN 3.50 (# 597:15 Unique 2.50, 2.55 A)
&rst
ixpk= 597, nxpk= 15, iat= 394, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 ARG HN 117 GLY HN 3.50 (# 598:15 Unique 2.89, 3.01 A)
&rst
ixpk= 598, nxpk= 15, iat=1732,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 GLY HN 27 ALA HN 2.80 (# 599:15 Unique 2.76, 2.82 A)
&rst
ixpk= 599, nxpk= 15, iat= 413, 420, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 72 ASP HN 69 ASN HD2- 4.50 (# 600:15 Unique 1.77, 3.08 A)
&rst
ixpk= 600, nxpk= 15, iat=1054, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1027,1028,
&end
#
# 93 GLN HN 92 THR HN 3.50 (# 606:15 Unique 2.45, 2.76 A)
&rst
ixpk= 606, nxpk= 15, iat=1362,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 PHE HD 67 ASN HD2- 2.80 (# 608:15 Unique 2.48, 4.31 A)
&rst
ixpk= 608, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1006,1014,
igr2= 993, 994,
&end
#
# 90 TRP HN 91 VAL HN 2.80 (# 609:15 Unique 2.43, 2.67 A)
&rst
ixpk= 609, nxpk= 15, iat=1308,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 ILE HN 46 ALA HN 3.50 (# 611:15 Unique 2.44, 2.53 A)
&rst
ixpk= 611, nxpk= 15, iat= 698, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LYS HN 121 GLU HN 3.50 (# 612:15 Unique 2.87, 2.91 A)
&rst
ixpk= 612, nxpk= 15, iat=1796,1818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 GLY HN 53 VAL HN 2.80 (# 613:15 Unique 1.95, 2.20 A)
&rst
ixpk= 613, nxpk= 15, iat= 807, 791, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 GLY HA- 8 CYS HN 5.50 (# 615:15 Unique 2.41, 3.94 A)
&rst
ixpk= 615, nxpk= 15, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 1 MET HA 1 MET HN 4.50 (# 616:15 Unique 2.94, 2.95 A)
&rst
ixpk= 616, nxpk= 15, iat= 6, 2, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 1 MET HG- 1 MET HN 4.50 (# 617:15 Unique 3.03, 4.29 A)
&rst
ixpk= 617, nxpk= 15, iat= -1, 2, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 1 MET HB- 1 MET HN 4.50 (# 618:15 Unique 2.37, 2.92 A)
&rst
ixpk= 618, nxpk= 15, iat= -1, 2, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 8, 9,
&end
#
# 1 MET HG- 2 LYS HN 4.50 (# 621:15 Unique 1.93, 3.73 A)
&rst
ixpk= 621, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 2 LYS HE+ 2 LYS HN 5.50 (# 622:15 Unique 1.99, 3.52 A)
&rst
ixpk= 622, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 34, 35,
&end
#
# 30 ILE HA 2 LYS HN 4.50 (# 623:15 Unique 2.74, 3.11 A)
&rst
ixpk= 623, nxpk= 15, iat= 461, 21, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ALA HN 2 LYS HN 4.50 (# 624:15 Unique 3.99, 4.17 A)
&rst
ixpk= 624, nxpk= 15, iat= 478, 21, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LYS HN 2 LYS HN 5.50 (# 625:15 Unique 4.58, 4.62 A)
&rst
ixpk= 625, nxpk= 15, iat= 43, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 TYR HA 3 LYS HN 4.50 (# 626:15 Unique 3.41, 3.69 A)
&rst
ixpk= 626, nxpk= 15, iat=1068, 43, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:627 3 LYS HN 4.50 (# 627:15 Single Ambig)
&rst
ixpk= 627, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1089, 67,
&end
#
# 75 VAL HN 3 LYS HN 5.50 (# 628:15 Unique 4.01, 4.21 A)
&rst
ixpk= 628, nxpk= 15, iat=1099, 43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ASP HN 3 LYS HN 3.50 (# 629:15 Unique 2.33, 2.59 A)
&rst
ixpk= 629, nxpk= 15, iat=1087, 43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 VAL HN 3 LYS HN 4.50 (# 630:15 Unique 4.48, 4.53 A)
&rst
ixpk= 630, nxpk= 15, iat= 65, 43, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:631 3 LYS HN 5.50 (# 631:15 Single Ambig)
&rst
ixpk= 631, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1070,1071, 56, 57,
&end
#
# 0 AMB 15-2:632 3 LYS HN 5.50 (# 632:15 Single Ambig)
&rst
ixpk= 632, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1105,1106,1107,1109,1110,1111,1978,1979,1980,
&end
#
# 0 AMB 15-2:633 3 LYS HN 4.50 (# 633:15 Single Ambig)
&rst
ixpk= 633, nxpk= 15, iat= -1, 43, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,1985,1986,1987,
&end
#
# 3 LYS HN 4 VAL HN 4.50 (# 634:15 Unique 4.48, 4.53 A)
&rst
ixpk= 634, nxpk= 15, iat= 43, 65, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:635 4 VAL HN 4.50 (# 635:15 Single Ambig)
&rst
ixpk= 635, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 478, 504,
&end
#
# 73 TYR HD 4 VAL HN 4.50 (# 636:15 Unique 3.00, 5.63 A)
&rst
ixpk= 636, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1074,1083,
&end
#
# 75 VAL HB 4 VAL HN 5.50 (# 638:15 Unique 4.59, 4.81 A)
&rst
ixpk= 638, nxpk= 15, iat=1103, 65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 VAL MGX 4 VAL HN 4.50 (# 639:15 Unique 3.66, 5.36 A)
&rst
ixpk= 639, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 32 VAL MGY 4 VAL HN 4.50 (# 640:15 Unique 3.66, 5.36 A)
&rst
ixpk= 640, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 494, 495, 496, 498, 499, 500,
&end
#
# 30 ILE QG2 4 VAL HN 5.50 (# 641:15 Unique 4.93, 6.31 A)
&rst
ixpk= 641, nxpk= 15, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 465, 466, 467,
&end
#
# 4 VAL HN 5 MET HN 4.50 (# 642:15 Unique 4.43, 4.49 A)
&rst
ixpk= 642, nxpk= 15, iat= 65, 81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ILE HN 5 MET HN 4.50 (# 643:15 Unique 3.17, 3.28 A)
&rst
ixpk= 643, nxpk= 15, iat=1131, 81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HN 5 MET HN 5.50 (# 644:15 Unique 4.07, 4.18 A)
&rst
ixpk= 644, nxpk= 15, iat= 98, 81, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 VAL HN 5 MET HN 4.50 (# 645:15 Unique 4.43, 4.52 A)
&rst
ixpk= 645, nxpk= 15, iat=1099, 81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HE 5 MET HN 4.50 (# 646:15 Unique 4.14, 5.48 A)
&rst
ixpk= 646, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 108, 112,
&end
#
# 90 TRP HZ3 5 MET HN 5.50 (# 648:15 Unique 5.53, 5.57 A)
&rst
ixpk= 648, nxpk= 15, iat=1325, 81, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 TYR HB+ 5 MET HN 4.50 (# 649:15 Unique 4.57, 5.08 A)
&rst
ixpk= 649, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1070,1071,
&end
#
# 73 TYR HB- 5 MET HN 4.50 (# 650:15 Unique 4.57, 5.08 A)
&rst
ixpk= 650, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1070,1071,
&end
#
# 75 VAL MGX 5 MET HN 4.50 (# 651:15 Unique 3.54, 5.68 A)
&rst
ixpk= 651, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 0 AMB 15-2:652 5 MET HN 4.50 (# 652:15 Single Ambig)
&rst
ixpk= 652, nxpk= 15, iat= -1, 81, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 124, 125, 126, 128, 129, 130,1144,1145,1146,
&end
#
# 34 SER HA 6 PHE HN 3.50 (# 653:15 Unique 1.98, 2.35 A)
&rst
ixpk= 653, nxpk= 15, iat= 520, 98, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 VAL HN 6 PHE HN 4.50 (# 654:15 Unique 4.15, 4.34 A)
&rst
ixpk= 654, nxpk= 15, iat= 118, 98, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HD 6 PHE HN 4.50 (# 655:15 Unique 2.32, 3.85 A)
&rst
ixpk= 655, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 106, 114,
&end
#
# 6 PHE HA 6 PHE HN 4.50 (# 656:15 Unique 2.95, 2.97 A)
&rst
ixpk= 656, nxpk= 15, iat= 100, 98, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HB- 6 PHE HN 3.50 (# 658:15 Unique 2.46, 3.12 A)
&rst
ixpk= 658, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 102, 103,
&end
#
# 5 MET HG+ 6 PHE HN 4.50 (# 659:15 Unique 2.82, 3.80 A)
&rst
ixpk= 659, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 88, 89,
&end
#
# 79 LEU HN 7 VAL HN 4.50 (# 661:15 Unique 2.54, 3.49 A)
&rst
ixpk= 661, nxpk= 15, iat=1161, 118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HD 7 VAL HN 5.50 (# 662:15 Unique 4.02, 5.20 A)
&rst
ixpk= 662, nxpk= 15, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 7 VAL HA 7 VAL HN 4.50 (# 663:15 Unique 2.92, 2.97 A)
&rst
ixpk= 663, nxpk= 15, iat= 120, 118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PHE HA 7 VAL HN 2.80 (# 665:15 Unique 2.15, 2.23 A)
&rst
ixpk= 665, nxpk= 15, iat= 100, 118, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:666 7 VAL HN 5.50 (# 666:15 Single Ambig)
&rst
ixpk= 666, nxpk= 15, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 253, 522, 523,
&end
#
# 6 PHE HB+ 7 VAL HN 3.50 (# 667:15 Unique 3.07, 3.95 A)
&rst
ixpk= 667, nxpk= 15, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 102, 103,
&end
#
# 79 LEU HB- 7 VAL HN 4.50 (# 669:15 Unique 3.55, 5.29 A)
&rst
ixpk= 669, nxpk= 15, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1165,1166,
&end
#
# 79 LEU MDX 7 VAL HN 5.50 (# 670:15 Unique 2.68, 5.11 A)
&rst
ixpk= 670, nxpk= 15, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 7 VAL MGX 7 VAL HN 4.50 (# 671:15 Unique 2.17, 3.92 A)
&rst
ixpk= 671, nxpk= 15, iat= -1, 118, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 0 AMB 15-2:672 15 SER HN 4.50 (# 672:15 Single Ambig)
&rst
ixpk= 672, nxpk= 15, iat= -1, 251, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 253, 229,
&end
#
# 13 CYS HN 16 GLN HN 5.50 (# 673:15 Unique 4.83, 5.03 A)
&rst
ixpk= 673, nxpk= 15, iat= 216, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 MET HN 16 GLN HN 4.50 (# 674:15 Unique 2.49, 2.63 A)
&rst
ixpk= 674, nxpk= 15, iat= 279, 262, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 GLN HB- 16 GLN HN 4.50 (# 676:15 Unique 2.19, 2.80 A)
&rst
ixpk= 676, nxpk= 15, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 266, 267,
&end
#
# 16 GLN HB+ 16 GLN HN 4.50 (# 677:15 Unique 2.19, 2.80 A)
&rst
ixpk= 677, nxpk= 15, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 266, 267,
&end
#
# 18 ALA HA 18 ALA HN 4.50 (# 678:15 Unique 2.81, 2.85 A)
&rst
ixpk= 678, nxpk= 15, iat= 298, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HN 18 ALA HN 4.50 (# 679:15 Unique 4.00, 4.17 A)
&rst
ixpk= 679, nxpk= 15, iat= 321, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 MET HA 18 ALA HN 4.50 (# 680:15 Unique 3.57, 3.60 A)
&rst
ixpk= 680, nxpk= 15, iat= 281, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 MET HB+ 18 ALA HN 4.50 (# 681:15 Unique 2.64, 3.38 A)
&rst
ixpk= 681, nxpk= 15, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 283, 284,
&end
#
# 17 MET HB- 18 ALA HN 4.50 (# 682:15 Unique 2.64, 3.38 A)
&rst
ixpk= 682, nxpk= 15, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 283, 284,
&end
#
# 119 VAL MGX 18 ALA HN 4.50 (# 683:15 Unique 2.82, 4.54 A)
&rst
ixpk= 683, nxpk= 15, iat= -1, 296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1786,1787,1788,1790,1791,1792,
&end
#
# 19 GLU HA 19 GLU HN 3.50 (# 685:15 Unique 2.80, 2.85 A)
&rst
ixpk= 685, nxpk= 15, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 GLN HA 19 GLU HN 5.50 (# 686:15 Unique 2.88, 3.23 A)
&rst
ixpk= 686, nxpk= 15, iat= 264, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 ALA HN 20 GLY HN 5.50 (# 688:15 Unique 3.83, 3.95 A)
&rst
ixpk= 688, nxpk= 15, iat= 348, 321, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 GLN HE2+ 20 GLY HN 4.50 (# 689:15 Unique 2.62, 4.20 A)
&rst
ixpk= 689, nxpk= 15, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 894, 895,
&end
#
# 21 PHE HN 20 GLY HN 4.50 (# 690:15 Unique 2.61, 2.70 A)
&rst
ixpk= 690, nxpk= 15, iat= 328, 321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLN HE2- 20 GLY HN 4.50 (# 691:15 Unique 2.62, 4.20 A)
&rst
ixpk= 691, nxpk= 15, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 894, 895,
&end
#
# 17 MET ME 20 GLY HN 2.80 (# 692:15 Unique 3.05, 3.86 A)
&rst
ixpk= 692, nxpk= 15, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 290, 291, 292,
&end
#
# 0 AMB 15-2:693 20 GLY HN 4.50 (# 693:15 Single Ambig)
&rst
ixpk= 693, nxpk= 15, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 820, 821, 822, 300, 301, 302,
&end
#
# 21 PHE HD 21 PHE HN 4.50 (# 694:15 Unique 3.42, 3.80 A)
&rst
ixpk= 694, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 336, 344,
&end
#
# 22 ALA HN 21 PHE HN 4.50 (# 695:15 Unique 2.61, 2.68 A)
&rst
ixpk= 695, nxpk= 15, iat= 348, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HN 21 PHE HN 4.50 (# 697:15 Unique 2.61, 2.70 A)
&rst
ixpk= 697, nxpk= 15, iat= 321, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HA 21 PHE HN 4.50 (# 698:15 Unique 2.91, 2.92 A)
&rst
ixpk= 698, nxpk= 15, iat= 330, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HA- 21 PHE HN 4.50 (# 699:15 Unique 2.68, 3.18 A)
&rst
ixpk= 699, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 323, 324,
&end
#
# 18 ALA HA 21 PHE HN 4.50 (# 700:15 Unique 3.23, 3.35 A)
&rst
ixpk= 700, nxpk= 15, iat= 298, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HA+ 21 PHE HN 4.50 (# 701:15 Unique 2.68, 3.18 A)
&rst
ixpk= 701, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 323, 324,
&end
#
# 21 PHE HB+ 21 PHE HN 4.50 (# 702:15 Unique 2.29, 2.98 A)
&rst
ixpk= 702, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 22 ALA MB 21 PHE HN 5.50 (# 703:15 Unique 4.74, 5.42 A)
&rst
ixpk= 703, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 352, 353, 354,
&end
#
# 0 AMB 15-2:704 21 PHE HN 4.50 (# 704:15 Single Ambig)
&rst
ixpk= 704, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
499, 500,
&end
#
# 17 MET ME 21 PHE HN 4.50 (# 705:15 Unique 2.24, 3.36 A)
&rst
ixpk= 705, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 290, 291, 292,
&end
#
# 55 ILE QD1 21 PHE HN 5.50 (# 706:15 Unique 3.56, 4.54 A)
&rst
ixpk= 706, nxpk= 15, iat= -1, 328, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 827, 828, 829,
&end
#
# 23 LYS HN 22 ALA HN 4.50 (# 708:15 Unique 2.70, 2.78 A)
&rst
ixpk= 708, nxpk= 15, iat= 358, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HN 22 ALA HN 4.50 (# 709:15 Unique 2.61, 2.68 A)
&rst
ixpk= 709, nxpk= 15, iat= 328, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HD 22 ALA HN 5.50 (# 710:15 Unique 4.95, 5.27 A)
&rst
ixpk= 710, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 336, 344,
&end
#
# 21 PHE HA 22 ALA HN 5.50 (# 711:15 Unique 3.56, 3.59 A)
&rst
ixpk= 711, nxpk= 15, iat= 330, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ALA HA 22 ALA HN 4.50 (# 712:15 Unique 3.64, 3.76 A)
&rst
ixpk= 712, nxpk= 15, iat= 298, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HB+ 22 ALA HN 4.50 (# 713:15 Unique 2.80, 3.35 A)
&rst
ixpk= 713, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 21 PHE HB- 22 ALA HN 4.50 (# 714:15 Unique 2.80, 3.35 A)
&rst
ixpk= 714, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 332, 333,
&end
#
# 123 VAL MGY 22 ALA HN 4.50 (# 715:15 Unique 2.86, 4.06 A)
&rst
ixpk= 715, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1863,1864,1865,1867,1868,1869,
&end
#
# 0 AMB 15-2:716 22 ALA HN 5.50 (# 716:15 Single Ambig)
&rst
ixpk= 716, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1934,1935,1936, 290, 291, 292, 472, 473, 474,
&end
#
# 0 AMB 15-2:717 22 ALA HN 5.50 (# 717:15 Single Ambig)
&rst
ixpk= 717, nxpk= 15, iat= -1, 348, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 384, 360, 415, 416,
&end
#
# 22 ALA HN 23 LYS HN 3.50 (# 718:15 Unique 2.70, 2.78 A)
&rst
ixpk= 718, nxpk= 15, iat= 348, 358, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 PHE HN 23 LYS HN 4.50 (# 721:15 Unique 4.33, 4.40 A)
&rst
ixpk= 721, nxpk= 15, iat= 328, 358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 GLY HA- 23 LYS HN 4.50 (# 722:15 Unique 3.61, 4.36 A)
&rst
ixpk= 722, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 323, 324,
&end
#
# 21 PHE HA 23 LYS HN 5.50 (# 723:15 Unique 4.56, 4.62 A)
&rst
ixpk= 723, nxpk= 15, iat= 330, 358, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 LYS HE+ 23 LYS HN 5.50 (# 724:15 Unique 3.79, 4.96 A)
&rst
ixpk= 724, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 371, 372,
&end
#
# 20 GLY HA+ 23 LYS HN 5.50 (# 725:15 Unique 3.61, 4.36 A)
&rst
ixpk= 725, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 323, 324,
&end
#
# 0 AMB 15-2:726 23 LYS HN 5.50 (# 726:15 Single Ambig)
&rst
ixpk= 726, nxpk= 15, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 472, 473, 474,1934,1935,1936, 290, 291, 292,
&end
#
# 24 THR HN 26 GLY HN 4.50 (# 728:15 Unique 4.08, 4.18 A)
&rst
ixpk= 728, nxpk= 15, iat= 380, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA HA 26 GLY HN 4.50 (# 729:15 Unique 3.01, 3.19 A)
&rst
ixpk= 729, nxpk= 15, iat= 350, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:730 26 GLY HN 4.50 (# 730:15 Single Ambig)
&rst
ixpk= 730, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 469, 470, 386, 387, 388,1863,1864,1865,1867,1868,
1869,
&end
#
# 0 AMB 15-2:731 26 GLY HN 4.50 (# 731:15 Single Ambig)
&rst
ixpk= 731, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1931,1932, 469, 470,
&end
#
# 0 AMB 15-2:732 26 GLY HN 3.50 (# 732:15 Single Ambig)
&rst
ixpk= 732, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 494, 495, 496, 498, 499, 500, 403, 404, 405, 407,
408, 409,1863,1864,1865,1867,1868,1869,
&end
#
# 28 GLY HN 27 ALA HN 4.50 (# 734:15 Unique 4.53, 4.54 A)
&rst
ixpk= 734, nxpk= 15, iat= 430, 420, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 LEU HN 27 ALA HN 4.50 (# 735:15 Unique 4.01, 4.20 A)
&rst
ixpk= 735, nxpk= 15, iat= 394, 420, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 LYS HN 27 ALA HN 4.50 (# 736:15 Unique 4.44, 4.50 A)
&rst
ixpk= 736, nxpk= 15, iat= 437, 420, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:737 27 ALA HN 4.50 (# 737:15 Single Ambig)
&rst
ixpk= 737, nxpk= 15, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 441, 442, 365, 366,
&end
#
# 0 AMB 15-2:738 27 ALA HN 5.50 (# 738:15 Single Ambig)
&rst
ixpk= 738, nxpk= 15, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1931,1932, 362, 363,
&end
#
# 29 LYS HG+ 27 ALA HN 4.50 (# 739:15 Unique 4.97, 5.14 A)
&rst
ixpk= 739, nxpk= 15, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 444, 445,
&end
#
# 0 AMB 15-2:740 27 ALA HN 4.50 (# 740:15 Single Ambig)
&rst
ixpk= 740, nxpk= 15, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1934,1935,1936, 472, 473, 474,
&end
#
# 29 LYS HN 28 GLY HN 4.50 (# 741:15 Unique 2.66, 2.68 A)
&rst
ixpk= 741, nxpk= 15, iat= 437, 430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 ALA HN 28 GLY HN 5.50 (# 742:15 Unique 4.53, 4.54 A)
&rst
ixpk= 742, nxpk= 15, iat= 420, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 ALA HA 28 GLY HN 5.50 (# 743:15 Unique 5.54, 5.56 A)
&rst
ixpk= 743, nxpk= 15, iat= 480, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 LYS HB+ 28 GLY HN 5.50 (# 746:15 Unique 4.89, 5.63 A)
&rst
ixpk= 746, nxpk= 15, iat= -1, 430, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 441, 442,
&end
#
# 30 ILE HA 29 LYS HN 4.50 (# 748:15 Unique 4.45, 4.52 A)
&rst
ixpk= 748, nxpk= 15, iat= 461, 437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 2 LYS HE+ 29 LYS HN 5.50 (# 749:15 Unique 5.86, 6.45 A)
&rst
ixpk= 749, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 34, 35,
&end
#
# 29 LYS HB+ 29 LYS HN 2.80 (# 750:15 Unique 2.36, 3.03 A)
&rst
ixpk= 750, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 441, 442,
&end
#
# 30 ILE HG1- 29 LYS HN 4.50 (# 751:15 Unique 3.95, 4.37 A)
&rst
ixpk= 751, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 469, 470,
&end
#
# 0 AMB 15-2:752 29 LYS HN 4.50 (# 752:15 Single Ambig)
&rst
ixpk= 752, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 465, 466, 467,1927,1928,1929,
&end
#
# 31 ALA HN 30 ILE HN 5.50 (# 753:15 Unique 4.32, 4.35 A)
&rst
ixpk= 753, nxpk= 15, iat= 478, 459, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 LYS HN 30 ILE HN 2.80 (# 754:15 Unique 1.83, 1.89 A)
&rst
ixpk= 754, nxpk= 15, iat= 437, 459, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 ILE HA 30 ILE HN 4.50 (# 755:15 Unique 2.94, 2.95 A)
&rst
ixpk= 755, nxpk= 15, iat= 461, 459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 29 LYS HA 30 ILE HN 4.50 (# 756:15 Unique 3.55, 3.57 A)
&rst
ixpk= 756, nxpk= 15, iat= 439, 459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 GLY HA- 30 ILE HN 4.50 (# 757:15 Unique 3.57, 3.98 A)
&rst
ixpk= 757, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 415, 416,
&end
#
# 28 GLY HA+ 30 ILE HN 4.50 (# 758:15 Unique 4.45, 4.87 A)
&rst
ixpk= 758, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 432, 433,
&end
#
# 29 LYS HB+ 30 ILE HN 4.50 (# 759:15 Unique 2.43, 3.13 A)
&rst
ixpk= 759, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 441, 442,
&end
#
# 30 ILE QG2 30 ILE HN 3.50 (# 760:15 Unique 3.23, 4.01 A)
&rst
ixpk= 760, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 465, 466, 467,
&end
#
# 30 ILE QD1 30 ILE HN 4.50 (# 761:15 Unique 3.12, 4.60 A)
&rst
ixpk= 761, nxpk= 15, iat= -1, 459, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 472, 473, 474,
&end
#
# 4 VAL HN 31 ALA HN 4.50 (# 762:15 Unique 3.52, 3.69 A)
&rst
ixpk= 762, nxpk= 15, iat= 65, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 2 LYS HN 31 ALA HN 4.50 (# 763:15 Unique 3.99, 4.17 A)
&rst
ixpk= 763, nxpk= 15, iat= 21, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 ILE HN 31 ALA HN 5.50 (# 764:15 Unique 4.32, 4.35 A)
&rst
ixpk= 764, nxpk= 15, iat= 459, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:765 31 ALA HN 4.50 (# 765:15 Single Ambig)
&rst
ixpk= 765, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 23, 6,
&end
#
# 30 ILE HG1- 31 ALA HN 4.50 (# 767:15 Unique 3.66, 4.57 A)
&rst
ixpk= 767, nxpk= 15, iat= -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 469, 470,
&end
#
# 0 AMB 15-2:769 32 VAL HN 4.50 (# 769:15 Single Ambig)
&rst
ixpk= 769, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 69, 463, 47, 48,
&end
#
# 30 ILE QD1 32 VAL HN 4.50 (# 771:15 Unique 3.85, 5.73 A)
&rst
ixpk= 771, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 472, 473, 474,
&end
#
# 34 SER HN 33 THR HN 4.50 (# 772:15 Unique 4.38, 4.44 A)
&rst
ixpk= 772, nxpk= 15, iat= 518, 504, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 SER HA 34 SER HN 4.50 (# 773:15 Unique 2.91, 2.95 A)
&rst
ixpk= 773, nxpk= 15, iat= 520, 518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:774 34 SER HN 4.50 (# 774:15 Single Ambig)
&rst
ixpk= 774, nxpk= 15, iat= -1, 518, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 529, 504,
&end
#
# 36 GLY HN 35 CYS HN 4.50 (# 775:15 Unique 4.35, 4.39 A)
&rst
ixpk= 775, nxpk= 15, iat= 540, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HA 35 CYS HN 4.50 (# 777:15 Unique 2.59, 2.92 A)
&rst
ixpk= 777, nxpk= 15, iat= 120, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 CYS HA 35 CYS HN 4.50 (# 778:15 Unique 2.89, 2.94 A)
&rst
ixpk= 778, nxpk= 15, iat= 531, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 SER HB+ 35 CYS HN 4.50 (# 780:15 Unique 2.45, 3.50 A)
&rst
ixpk= 780, nxpk= 15, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 522, 523,
&end
#
# 34 SER HB- 35 CYS HN 4.50 (# 781:15 Unique 2.45, 3.50 A)
&rst
ixpk= 781, nxpk= 15, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 522, 523,
&end
#
# 35 CYS HB- 35 CYS HN 4.50 (# 782:15 Unique 2.81, 3.59 A)
&rst
ixpk= 782, nxpk= 15, iat= -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 36 GLY HA+ 36 GLY HN 4.50 (# 783:15 Unique 2.21, 2.60 A)
&rst
ixpk= 783, nxpk= 15, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 542, 543,
&end
#
# 35 CYS HA 36 GLY HN 4.50 (# 784:15 Unique 2.19, 2.46 A)
&rst
ixpk= 784, nxpk= 15, iat= 531, 540, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 GLY HA- 36 GLY HN 5.50 (# 786:15 Unique 2.21, 2.60 A)
&rst
ixpk= 786, nxpk= 15, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 35 CYS HB+ 36 GLY HN 4.50 (# 788:15 Unique 2.18, 3.11 A)
&rst
ixpk= 788, nxpk= 15, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 35 CYS HB- 36 GLY HN 4.50 (# 789:15 Unique 2.18, 3.11 A)
&rst
ixpk= 789, nxpk= 15, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 533, 534,
&end
#
# 38 GLU HN 37 LEU HN 4.50 (# 790:15 Unique 2.62, 3.90 A)
&rst
ixpk= 790, nxpk= 15, iat= 566, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 SER HN 37 LEU HN 4.50 (# 791:15 Unique 4.10, 4.55 A)
&rst
ixpk= 791, nxpk= 15, iat= 581, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 LEU HA 37 LEU HN 4.50 (# 794:15 Unique 2.23, 2.71 A)
&rst
ixpk= 794, nxpk= 15, iat= 549, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 127 ILE HA 128 ALA HN 4.50 (# 796:15 Unique 3.60, 3.62 A)
&rst
ixpk= 796, nxpk= 15, iat=1923,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 127 ILE HG1+ 128 ALA HN 4.50 (# 797:15 Unique 4.65, 4.97 A)
&rst
ixpk= 797, nxpk= 15, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1931,1932,
&end
#
# 127 ILE QG2 128 ALA HN 3.50 (# 798:15 Unique 2.93, 3.88 A)
&rst
ixpk= 798, nxpk= 15, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1927,1928,1929,
&end
#
# 126 LEU HB+ 128 ALA HN 5.50 (# 800:15 Unique 5.28, 5.64 A)
&rst
ixpk= 800, nxpk= 15, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1906,1907,
&end
#
# 125 ASN HB- 128 ALA HN 5.50 (# 801:15 Unique 5.06, 5.33 A)
&rst
ixpk= 801, nxpk= 15, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1892,1893,
&end
#
# 37 LEU HN 38 GLU HN 4.50 (# 803:15 Unique 2.62, 3.90 A)
&rst
ixpk= 803, nxpk= 15, iat= 547, 566, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 GLY HA- 38 GLU HN 5.50 (# 804:15 Unique 4.38, 5.61 A)
&rst
ixpk= 804, nxpk= 15, iat= -1, 566, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 10 ARG HA 38 GLU HN 5.50 (# 805:15 Unique 3.60, 5.32 A)
&rst
ixpk= 805, nxpk= 15, iat= 169, 566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 GLU HA 38 GLU HN 4.50 (# 807:15 Unique 2.21, 2.74 A)
&rst
ixpk= 807, nxpk= 15, iat= 568, 566, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 GLU HG- 38 GLU HN 4.50 (# 808:15 Unique 2.12, 3.06 A)
&rst
ixpk= 808, nxpk= 15, iat= -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 573, 574,
&end
#
# 38 GLU HG+ 38 GLU HN 4.50 (# 809:15 Unique 2.12, 3.06 A)
&rst
ixpk= 809, nxpk= 15, iat= -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 573, 574,
&end
#
# 38 GLU HB- 38 GLU HN 4.50 (# 810:15 Unique 2.19, 3.13 A)
&rst
ixpk= 810, nxpk= 15, iat= -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 570, 571,
&end
#
# 0 AMB 15-2:811 38 GLU HN 4.50 (# 811:15 Single Ambig)
&rst
ixpk= 811, nxpk= 15, iat= -1, 566, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 551, 552, 554,
&end
#
# 37 LEU HN 39 SER HN 4.50 (# 813:15 Unique 4.10, 4.55 A)
&rst
ixpk= 813, nxpk= 15, iat= 547, 581, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 SER HA 39 SER HN 4.50 (# 815:15 Unique 2.19, 2.56 A)
&rst
ixpk= 815, nxpk= 15, iat= 583, 581, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 SER HB+ 39 SER HN 5.50 (# 816:15 Unique 2.61, 3.55 A)
&rst
ixpk= 816, nxpk= 15, iat= -1, 581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 585, 586,
&end
#
# 39 SER HB- 39 SER HN 4.50 (# 817:15 Unique 2.61, 3.55 A)
&rst
ixpk= 817, nxpk= 15, iat= -1, 581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 585, 586,
&end
#
# 38 GLU HB- 39 SER HN 5.50 (# 818:15 Unique 2.88, 4.05 A)
&rst
ixpk= 818, nxpk= 15, iat= -1, 581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 570, 571,
&end
#
# 39 SER HA 40 SER HN 3.50 (# 821:15 Unique 2.23, 2.88 A)
&rst
ixpk= 821, nxpk= 15, iat= 583, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 LEU HA 40 SER HN 5.50 (# 822:15 Unique 4.15, 5.30 A)
&rst
ixpk= 822, nxpk= 15, iat= 549, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 SER HB+ 40 SER HN 4.50 (# 823:15 Unique 2.64, 3.59 A)
&rst
ixpk= 823, nxpk= 15, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 596, 597,
&end
#
# 39 SER HB+ 40 SER HN 4.50 (# 824:15 Unique 1.79, 4.08 A)
&rst
ixpk= 824, nxpk= 15, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 585, 586,
&end
#
# 39 SER HB- 40 SER HN 4.50 (# 825:15 Unique 1.79, 4.08 A)
&rst
ixpk= 825, nxpk= 15, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 585, 586,
&end
#
# 40 SER HN 41 ARG HN 5.50 (# 826:15 Unique 3.01, 3.86 A)
&rst
ixpk= 826, nxpk= 15, iat= 592, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 SER HA 41 ARG HN 5.50 (# 829:15 Unique 2.24, 2.82 A)
&rst
ixpk= 829, nxpk= 15, iat= 594, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 SER HB+ 41 ARG HN 4.50 (# 830:15 Unique 2.06, 3.59 A)
&rst
ixpk= 830, nxpk= 15, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 596, 597,
&end
#
# 41 ARG HD+ 41 ARG HN 5.50 (# 831:15 Unique 2.17, 3.63 A)
&rst
ixpk= 831, nxpk= 15, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 613, 614,
&end
#
# 41 ARG HB+ 41 ARG HN 5.50 (# 832:15 Unique 2.17, 3.45 A)
&rst
ixpk= 832, nxpk= 15, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 607, 608,
&end
#
# 41 ARG HB- 41 ARG HN 5.50 (# 833:15 Unique 2.17, 3.45 A)
&rst
ixpk= 833, nxpk= 15, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 607, 608,
&end
#
# 43 HIS HN 42 VAL HN 4.50 (# 834:15 Unique 4.10, 4.53 A)
&rst
ixpk= 834, nxpk= 15, iat= 643, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 VAL HA 42 VAL HN 4.50 (# 836:15 Unique 2.14, 2.71 A)
&rst
ixpk= 836, nxpk= 15, iat= 629, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 ARG HB- 42 VAL HN 3.50 (# 837:15 Unique 1.87, 3.10 A)
&rst
ixpk= 837, nxpk= 15, iat= -1, 627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 607, 608,
&end
#
# 43 HIS HA 43 HIS HN 4.50 (# 840:15 Unique 2.92, 2.97 A)
&rst
ixpk= 840, nxpk= 15, iat= 645, 643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 VAL HB 43 HIS HN 5.50 (# 841:15 Unique 2.17, 3.33 A)
&rst
ixpk= 841, nxpk= 15, iat= 631, 643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA MB 43 HIS HN 4.50 (# 842:15 Unique 3.37, 4.85 A)
&rst
ixpk= 842, nxpk= 15, iat= -1, 643, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 692, 693, 694,
&end
#
# 47 ILE HN 45 THR HN 4.50 (# 844:15 Unique 4.09, 4.20 A)
&rst
ixpk= 844, nxpk= 15, iat= 698, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA HN 45 THR HN 4.50 (# 845:15 Unique 2.71, 2.77 A)
&rst
ixpk= 845, nxpk= 15, iat= 688, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 THR HA 45 THR HN 4.50 (# 846:15 Unique 2.78, 2.80 A)
&rst
ixpk= 846, nxpk= 15, iat= 676, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 THR HB 45 THR HN 4.50 (# 847:15 Unique 2.57, 2.73 A)
&rst
ixpk= 847, nxpk= 15, iat= 678, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 PRO HG+ 45 THR HN 4.50 (# 848:15 Unique 1.92, 3.09 A)
&rst
ixpk= 848, nxpk= 15, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 664, 665,
&end
#
# 46 ALA MB 45 THR HN 5.50 (# 849:15 Unique 4.92, 5.67 A)
&rst
ixpk= 849, nxpk= 15, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 692, 693, 694,
&end
#
# 45 THR MG2 45 THR HN 5.50 (# 850:15 Unique 4.18, 4.52 A)
&rst
ixpk= 850, nxpk= 15, iat= -1, 674, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 680, 681, 682,
&end
#
# 45 THR HN 46 ALA HN 3.50 (# 851:15 Unique 2.71, 2.77 A)
&rst
ixpk= 851, nxpk= 15, iat= 674, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA HA 46 ALA HN 3.50 (# 853:15 Unique 2.88, 2.91 A)
&rst
ixpk= 853, nxpk= 15, iat= 690, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 THR HB 46 ALA HN 4.50 (# 854:15 Unique 2.91, 3.02 A)
&rst
ixpk= 854, nxpk= 15, iat= 678, 688, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 HIS HB+ 46 ALA HN 4.50 (# 855:15 Unique 2.83, 4.02 A)
&rst
ixpk= 855, nxpk= 15, iat= -1, 688, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 647, 648,
&end
#
# 43 HIS HB- 46 ALA HN 4.50 (# 856:15 Unique 2.83, 4.02 A)
&rst
ixpk= 856, nxpk= 15, iat= -1, 688, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 647, 648,
&end
#
# 0 AMB 15-2:857 46 ALA HN 5.50 (# 857:15 Single Ambig)
&rst
ixpk= 857, nxpk= 15, iat= -1, 688, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 702, 631,
&end
#
# 90 TRP HE1 90 TRP HN 5.50 (# 859:15 Unique 4.28, 4.52 A)
&rst
ixpk= 859, nxpk= 15, iat=1318,1308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 PRO HB+ 90 TRP HN 5.50 (# 860:15 Unique 3.55, 5.20 A)
&rst
ixpk= 860, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1272,1273,
&end
#
# 0 AMB 15-2:862 0 AMB 15-1:862 4.50 (# 862:15 Double Ambig)
&rst
ixpk= 862, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1269,1270, 731, 732,
igr2=1308, 698,
&end
#
# 48 ALA MB 47 ILE HN 4.50 (# 863:15 Unique 5.04, 5.61 A)
&rst
ixpk= 863, nxpk= 15, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 721, 722, 723,
&end
#
# 0 AMB 15-2:864 90 TRP HN 4.50 (# 864:15 Single Ambig)
&rst
ixpk= 864, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1250,1251,1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 15-2:865 0 AMB 15-1:865 4.50 (# 865:15 Double Ambig)
&rst
ixpk= 865, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 855, 856,1354,1355,1356,
igr2= 698,1308,
&end
#
# 91 VAL MGX 90 TRP HN 5.50 (# 866:15 Unique 3.23, 4.99 A)
&rst
ixpk= 866, nxpk= 15, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 0 AMB 15-2:867 47 ILE HN 4.50 (# 867:15 Single Ambig)
&rst
ixpk= 867, nxpk= 15, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 708, 709, 858, 859, 860,
&end
#
# 47 ILE HA 48 ALA HN 4.50 (# 868:15 Unique 3.61, 3.63 A)
&rst
ixpk= 868, nxpk= 15, iat= 700, 717, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 MET HG+ 48 ALA HN 5.50 (# 869:15 Unique 4.65, 5.39 A)
&rst
ixpk= 869, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 734, 735,
&end
#
# 49 MET HB+ 48 ALA HN 5.50 (# 870:15 Unique 4.70, 5.57 A)
&rst
ixpk= 870, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 47 ILE HG1- 48 ALA HN 4.50 (# 872:15 Unique 5.00, 5.09 A)
&rst
ixpk= 872, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 708, 709,
&end
#
# 49 MET HB- 48 ALA HN 5.50 (# 873:15 Unique 4.70, 5.57 A)
&rst
ixpk= 873, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 47 ILE HG1+ 48 ALA HN 5.50 (# 874:15 Unique 5.00, 5.09 A)
&rst
ixpk= 874, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 708, 709,
&end
#
# 45 THR MG2 48 ALA HN 5.50 (# 875:15 Unique 5.24, 5.90 A)
&rst
ixpk= 875, nxpk= 15, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 680, 681, 682,
&end
#
# 50 MET HN 49 MET HN 4.50 (# 876:15 Unique 2.55, 2.69 A)
&rst
ixpk= 876, nxpk= 15, iat= 744, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ALA HA 49 MET HN 4.50 (# 877:15 Unique 3.56, 3.57 A)
&rst
ixpk= 877, nxpk= 15, iat= 719, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ALA HA 49 MET HN 3.50 (# 878:15 Unique 2.77, 3.34 A)
&rst
ixpk= 878, nxpk= 15, iat= 690, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:879 49 MET HN 5.50 (# 879:15 Single Ambig)
&rst
ixpk= 879, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 783, 784, 751, 752,
&end
#
# 52 GLU HB+ 49 MET HN 5.50 (# 880:15 Unique 4.76, 6.23 A)
&rst
ixpk= 880, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 780, 781,
&end
#
# 49 MET ME 49 MET HN 4.50 (# 881:15 Unique 2.86, 4.63 A)
&rst
ixpk= 881, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 738, 739, 740,
&end
#
# 45 THR MG2 49 MET HN 4.50 (# 882:15 Unique 4.12, 5.04 A)
&rst
ixpk= 882, nxpk= 15, iat= -1, 727, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 680, 681, 682,
&end
#
# 49 MET HN 50 MET HN 4.50 (# 884:15 Unique 2.55, 2.69 A)
&rst
ixpk= 884, nxpk= 15, iat= 727, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 MET HG+ 50 MET HN 4.50 (# 885:15 Unique 2.59, 3.48 A)
&rst
ixpk= 885, nxpk= 15, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 751, 752,
&end
#
# 0 AMB 15-2:886 50 MET HN 3.50 (# 886:15 Single Ambig)
&rst
ixpk= 886, nxpk= 15, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 748, 749, 755, 756, 757,
&end
#
# 50 MET HG- 50 MET HN 3.50 (# 887:15 Unique 2.59, 3.48 A)
&rst
ixpk= 887, nxpk= 15, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 751, 752,
&end
#
# 50 MET HB- 50 MET HN 4.50 (# 888:15 Unique 2.35, 3.09 A)
&rst
ixpk= 888, nxpk= 15, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 748, 749,
&end
#
# 50 MET HN 51 GLU HN 3.50 (# 889:15 Unique 2.22, 2.34 A)
&rst
ixpk= 889, nxpk= 15, iat= 744, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ALA HA 51 GLU HN 4.50 (# 890:15 Unique 3.09, 3.23 A)
&rst
ixpk= 890, nxpk= 15, iat= 719, 761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLU HB- 51 GLU HN 4.50 (# 891:15 Unique 2.39, 2.47 A)
&rst
ixpk= 891, nxpk= 15, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 765, 766,
&end
#
# 0 AMB 15-2:892 51 GLU HN 4.50 (# 892:15 Single Ambig)
&rst
ixpk= 892, nxpk= 15, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 751, 752, 783, 784,
&end
#
# 50 MET HB- 51 GLU HN 4.50 (# 893:15 Unique 2.90, 3.54 A)
&rst
ixpk= 893, nxpk= 15, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 748, 749,
&end
#
# 47 ILE QG2 51 GLU HN 5.50 (# 894:15 Unique 4.50, 5.20 A)
&rst
ixpk= 894, nxpk= 15, iat= -1, 761, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 704, 705, 706,
&end
#
# 51 GLU HN 52 GLU HN 2.80 (# 896:15 Unique 2.53, 2.65 A)
&rst
ixpk= 896, nxpk= 15, iat= 761, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 GLY HN 52 GLU HN 4.50 (# 897:15 Unique 3.98, 4.10 A)
&rst
ixpk= 897, nxpk= 15, iat= 807, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 GLU HA 52 GLU HN 2.80 (# 898:15 Unique 2.81, 2.83 A)
&rst
ixpk= 898, nxpk= 15, iat= 778, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:899 52 GLU HN 4.50 (# 899:15 Single Ambig)
&rst
ixpk= 899, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 721, 722, 723,1685,1686,
&end
#
# 53 VAL MGX 52 GLU HN 4.50 (# 900:15 Unique 3.83, 5.80 A)
&rst
ixpk= 900, nxpk= 15, iat= -1, 776, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 51 GLU HN 53 VAL HN 4.50 (# 901:15 Unique 3.73, 4.00 A)
&rst
ixpk= 901, nxpk= 15, iat= 761, 791, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 GLU HN 53 VAL HN 2.80 (# 902:15 Unique 2.73, 2.81 A)
&rst
ixpk= 902, nxpk= 15, iat= 776, 791, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 116 ARG HD+ 53 VAL HN 5.50 (# 906:15 Unique 5.20, 6.12 A)
&rst
ixpk= 906, nxpk= 15, iat= -1, 791, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1742,1743,
&end
#
# 55 ILE HG1- 53 VAL HN 5.50 (# 907:15 Unique 5.13, 6.28 A)
&rst
ixpk= 907, nxpk= 15, iat= -1, 791, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 824, 825,
&end
#
# 52 GLU HN 54 GLY HN 4.50 (# 909:15 Unique 3.98, 4.10 A)
&rst
ixpk= 909, nxpk= 15, iat= 776, 807, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 VAL HB 54 GLY HN 4.50 (# 911:15 Unique 3.19, 4.36 A)
&rst
ixpk= 911, nxpk= 15, iat= 795, 807, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:912 54 GLY HN 5.50 (# 912:15 Single Ambig)
&rst
ixpk= 912, nxpk= 15, iat= -1, 807, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 768, 769, 765, 766, 783, 784,
&end
#
# 0 AMB 15-2:913 54 GLY HN 4.50 (# 913:15 Single Ambig)
&rst
ixpk= 913, nxpk= 15, iat= -1, 807, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 768, 769, 765, 766,
&end
#
# 55 ILE HG1- 54 GLY HN 5.50 (# 914:15 Unique 4.88, 5.77 A)
&rst
ixpk= 914, nxpk= 15, iat= -1, 807, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 824, 825,
&end
#
# 56 ASP HN 55 ILE HN 4.50 (# 916:15 Unique 4.36, 4.44 A)
&rst
ixpk= 916, nxpk= 15, iat= 833, 814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 VAL HB 55 ILE HN 5.50 (# 918:15 Unique 2.79, 4.86 A)
&rst
ixpk= 918, nxpk= 15, iat= 795, 814, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:919 55 ILE HN 4.50 (# 919:15 Single Ambig)
&rst
ixpk= 919, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 765, 766, 768, 769, 751, 752,
&end
#
# 50 MET HB- 55 ILE HN 4.50 (# 920:15 Unique 3.21, 3.92 A)
&rst
ixpk= 920, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 748, 749,
&end
#
# 17 MET ME 55 ILE HN 5.50 (# 921:15 Unique 5.26, 6.44 A)
&rst
ixpk= 921, nxpk= 15, iat= -1, 814, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 290, 291, 292,
&end
#
# 55 ILE HN 56 ASP HN 4.50 (# 924:15 Unique 4.36, 4.44 A)
&rst
ixpk= 924, nxpk= 15, iat= 814, 833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ILE HA 56 ASP HN 5.50 (# 925:15 Unique 4.76, 5.04 A)
&rst
ixpk= 925, nxpk= 15, iat= 847, 833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 MET HB+ 56 ASP HN 5.50 (# 927:15 Unique 4.48, 5.11 A)
&rst
ixpk= 927, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 748, 749,
&end
#
# 50 MET HB- 56 ASP HN 5.50 (# 928:15 Unique 4.48, 5.11 A)
&rst
ixpk= 928, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 748, 749,
&end
#
# 55 ILE HG1- 56 ASP HN 4.50 (# 929:15 Unique 3.40, 4.09 A)
&rst
ixpk= 929, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 824, 825,
&end
#
# 55 ILE HB 56 ASP HN 4.50 (# 930:15 Unique 4.01, 4.08 A)
&rst
ixpk= 930, nxpk= 15, iat= 818, 833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ILE QG2 56 ASP HN 5.50 (# 931:15 Unique 3.97, 5.09 A)
&rst
ixpk= 931, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 851, 852, 853,
&end
#
# 55 ILE QD1 56 ASP HN 4.50 (# 932:15 Unique 4.76, 5.47 A)
&rst
ixpk= 932, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 827, 828, 829,
&end
#
# 57 ILE HA 57 ILE HN 4.50 (# 933:15 Unique 2.18, 2.89 A)
&rst
ixpk= 933, nxpk= 15, iat= 847, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:934 57 ILE HN 3.50 (# 934:15 Single Ambig)
&rst
ixpk= 934, nxpk= 15, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 849, 751, 752, 889, 890,
&end
#
# 57 ILE HG1- 57 ILE HN 4.50 (# 935:15 Unique 2.28, 2.82 A)
&rst
ixpk= 935, nxpk= 15, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 855, 856,
&end
#
# 57 ILE HG1+ 57 ILE HN 3.50 (# 936:15 Unique 2.28, 2.82 A)
&rst
ixpk= 936, nxpk= 15, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 855, 856,
&end
#
# 57 ILE QG2 57 ILE HN 4.50 (# 937:15 Unique 2.54, 3.99 A)
&rst
ixpk= 937, nxpk= 15, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 851, 852, 853,
&end
#
# 47 ILE HG1+ 57 ILE HN 5.50 (# 938:15 Unique 2.67, 4.20 A)
&rst
ixpk= 938, nxpk= 15, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 708, 709,
&end
#
# 37 LEU MDY 62 SER HN 4.50 (# 941:15 Unique 1.75, 4.40 A)
&rst
ixpk= 941, nxpk= 15, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 556, 557, 558, 560, 561, 562,
&end
#
# 37 LEU MDX 62 SER HN 4.50 (# 942:15 Unique 1.75, 4.40 A)
&rst
ixpk= 942, nxpk= 15, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 556, 557, 558, 560, 561, 562,
&end
#
# 47 ILE HG1+ 58 SER HN 4.50 (# 943:15 Unique 2.95, 3.93 A)
&rst
ixpk= 943, nxpk= 15, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 708, 709,
&end
#
# 58 SER HA 59 GLY HN 4.50 (# 945:15 Unique 2.24, 2.90 A)
&rst
ixpk= 945, nxpk= 15, iat= 866, 875, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 SER HB+ 59 GLY HN 4.50 (# 946:15 Unique 2.62, 3.55 A)
&rst
ixpk= 946, nxpk= 15, iat= -1, 875, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 868, 869,
&end
#
# 60 GLN HB+ 60 GLN HE2+ 3.50 (# 947:15 Unique 1.92, 3.51 A)
&rst
ixpk= 947, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 886, 887,
igr2= 894, 895,
&end
#
# 0 AMB 15-2:948 0 AMB 15-1:948 4.50 (# 948:15 Double Ambig)
&rst
ixpk= 948, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 889, 890, 849,
igr2= 894, 895, 894, 895,
&end
#
# 0 AMB 15-2:949 0 AMB 15-1:949 4.50 (# 949:15 Double Ambig)
&rst
ixpk= 949, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 886, 887, 313, 314,
igr2= 894, 895, 894, 895,
&end
#
# 19 GLU HB+ 60 GLN HE2+ 4.50 (# 950:15 Unique 1.88, 3.20 A)
&rst
ixpk= 950, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 894, 895,
&end
#
# 59 GLY HN 60 GLN HN 3.50 (# 953:15 Unique 2.62, 2.95 A)
&rst
ixpk= 953, nxpk= 15, iat= 875, 882, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 THR HN 60 GLN HN 4.50 (# 954:15 Unique 2.67, 3.89 A)
&rst
ixpk= 954, nxpk= 15, iat= 899, 882, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 SER HA 60 GLN HN 5.50 (# 955:15 Unique 3.05, 3.44 A)
&rst
ixpk= 955, nxpk= 15, iat= 866, 882, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:956 60 GLN HN 4.50 (# 956:15 Single Ambig)
&rst
ixpk= 956, nxpk= 15, iat= -1, 882, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 868, 869, 629,
&end
#
# 59 GLY HA- 60 GLN HN 4.50 (# 957:15 Unique 2.89, 3.35 A)
&rst
ixpk= 957, nxpk= 15, iat= -1, 882, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 877, 878,
&end
#
# 62 SER HN 61 THR HN 4.50 (# 958:15 Unique 4.15, 4.45 A)
&rst
ixpk= 958, nxpk= 15, iat= 913, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLN HN 61 THR HN 5.50 (# 959:15 Unique 2.67, 3.89 A)
&rst
ixpk= 959, nxpk= 15, iat= 882, 899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 THR HB 61 THR HN 4.50 (# 960:15 Unique 3.41, 3.69 A)
&rst
ixpk= 960, nxpk= 15, iat= 903, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLN HG+ 61 THR HN 4.50 (# 961:15 Unique 1.72, 4.23 A)
&rst
ixpk= 961, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 889, 890,
&end
#
# 60 GLN HB- 61 THR HN 4.50 (# 962:15 Unique 1.94, 3.23 A)
&rst
ixpk= 962, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 886, 887,
&end
#
# 62 SER HA 62 SER HN 5.50 (# 964:15 Unique 2.20, 2.73 A)
&rst
ixpk= 964, nxpk= 15, iat= 915, 913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:966 63 ASP HN 3.50 (# 966:15 Single Ambig)
&rst
ixpk= 966, nxpk= 15, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 915, 926,
&end
#
# 63 ASP HB+ 63 ASP HN 5.50 (# 968:15 Unique 2.07, 3.03 A)
&rst
ixpk= 968, nxpk= 15, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 928, 929,
&end
#
# 65 ILE QD1 65 ILE HN 5.50 (# 969:15 Unique 4.77, 5.39 A)
&rst
ixpk= 969, nxpk= 15, iat= -1, 950, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 963, 964, 965,
&end
#
# 66 GLU HB+ 65 ILE HN 4.50 (# 970:15 Unique 4.54, 5.43 A)
&rst
ixpk= 970, nxpk= 15, iat= -1, 950, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 973, 974,
&end
#
# 64 PRO HB+ 65 ILE HN 5.50 (# 971:15 Unique 2.23, 3.22 A)
&rst
ixpk= 971, nxpk= 15, iat= -1, 950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 943, 944,
&end
#
# 65 ILE HA 65 ILE HN 2.80 (# 972:15 Unique 2.81, 2.84 A)
&rst
ixpk= 972, nxpk= 15, iat= 952, 950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASN HN 66 GLU HN 2.80 (# 975:15 Unique 2.75, 2.81 A)
&rst
ixpk= 975, nxpk= 15, iat= 984, 969, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 ILE HA 66 GLU HN 3.50 (# 976:15 Unique 3.53, 3.54 A)
&rst
ixpk= 976, nxpk= 15, iat= 952, 969, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 ILE HB 66 GLU HN 5.50 (# 977:15 Unique 3.96, 4.01 A)
&rst
ixpk= 977, nxpk= 15, iat= 954, 969, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 ILE HG1- 66 GLU HN 5.50 (# 978:15 Unique 3.89, 4.53 A)
&rst
ixpk= 978, nxpk= 15, iat= -1, 969, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 960, 961,
&end
#
# 66 GLU HB+ 67 ASN HN 4.50 (# 979:15 Unique 3.19, 3.71 A)
&rst
ixpk= 979, nxpk= 15, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 973, 974,
&end
#
# 66 GLU HA 67 ASN HN 3.50 (# 980:15 Unique 3.33, 3.46 A)
&rst
ixpk= 980, nxpk= 15, iat= 971, 984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 ASN HA 67 ASN HN 2.80 (# 981:15 Unique 2.93, 2.95 A)
&rst
ixpk= 981, nxpk= 15, iat= 986, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 PHE HD 67 ASN HN 5.50 (# 982:15 Unique 2.89, 5.28 A)
&rst
ixpk= 982, nxpk= 15, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1006,1014,
&end
#
# 68 PHE HN 67 ASN HN 2.80 (# 983:15 Unique 2.29, 2.42 A)
&rst
ixpk= 983, nxpk= 15, iat= 998, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 GLU HN 67 ASN HN 2.80 (# 984:15 Unique 2.75, 2.81 A)
&rst
ixpk= 984, nxpk= 15, iat= 969, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 ASN HN 68 PHE HN 5.50 (# 985:15 Unique 4.50, 4.53 A)
&rst
ixpk= 985, nxpk= 15, iat=1018, 998, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ASN HN 68 PHE HN 2.80 (# 986:15 Unique 2.29, 2.42 A)
&rst
ixpk= 986, nxpk= 15, iat= 984, 998, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 GLU HA 68 PHE HN 3.50 (# 987:15 Unique 3.69, 3.79 A)
&rst
ixpk= 987, nxpk= 15, iat= 971, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 ASN HA 68 PHE HN 3.50 (# 988:15 Unique 3.30, 3.42 A)
&rst
ixpk= 988, nxpk= 15, iat= 986, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 PHE HA 68 PHE HN 2.80 (# 989:15 Unique 2.93, 2.96 A)
&rst
ixpk= 989, nxpk= 15, iat=1000, 998, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 PHE HB- 68 PHE HN 3.50 (# 990:15 Unique 2.31, 2.98 A)
&rst
ixpk= 990, nxpk= 15, iat= -1, 998, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1002,1003,
&end
#
# 68 PHE HB+ 68 PHE HN 4.50 (# 991:15 Unique 2.31, 2.98 A)
&rst
ixpk= 991, nxpk= 15, iat= -1, 998, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1002,1003,
&end
#
# 0 AMB 15-2:992 68 PHE HN 4.50 (# 992:15 Single Ambig)
&rst
ixpk= 992, nxpk= 15, iat= -1, 998, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 988, 989, 533, 534,
&end
#
# 70 ALA HN 69 ASN HN 4.50 (# 994:15 Unique 3.40, 3.58 A)
&rst
ixpk= 994, nxpk= 15, iat=1032,1018, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 PHE HN 69 ASN HN 4.50 (# 995:15 Unique 4.50, 4.53 A)
&rst
ixpk= 995, nxpk= 15, iat= 998,1018, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ASP HN 69 ASN HN 5.50 (# 996:15 Unique 4.51, 4.82 A)
&rst
ixpk= 996, nxpk= 15, iat=1054,1018, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ASN HD2+ 69 ASN HN 5.50 (# 997:15 Unique 2.96, 3.87 A)
&rst
ixpk= 997, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1027,1028,
&end
#
# 90 TRP HH2 69 ASN HN 5.50 (# 999:15 Unique 5.51, 5.55 A)
&rst
ixpk= 999, nxpk= 15, iat=1323,1018, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ASN HA 69 ASN HN 3.50 (# 1000:15 Unique 2.94, 2.97 A)
&rst
ixpk= 1000, nxpk= 15, iat=1020,1018, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ASP HB- 69 ASN HN 5.50 (# 1002:15 Unique 4.17, 4.86 A)
&rst
ixpk= 1002, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1058,1059,
&end
#
# 5 MET ME 69 ASN HN 5.50 (# 1003:15 Unique 3.40, 5.54 A)
&rst
ixpk= 1003, nxpk= 15, iat= -1,1018, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 92, 93, 94,
&end
#
# 69 ASN HN 70 ALA HN 4.50 (# 1004:15 Unique 3.40, 3.58 A)
&rst
ixpk= 1004, nxpk= 15, iat=1018,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HE1 70 ALA HN 4.50 (# 1005:15 Unique 3.26, 3.40 A)
&rst
ixpk= 1005, nxpk= 15, iat=1318,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ASP HN 70 ALA HN 4.50 (# 1006:15 Unique 4.32, 4.45 A)
&rst
ixpk= 1006, nxpk= 15, iat=1054,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HE3 70 ALA HN 5.50 (# 1007:15 Unique 5.55, 5.61 A)
&rst
ixpk= 1007, nxpk= 15, iat=1327,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1008 70 ALA HN 4.50 (# 1008:15 Single Ambig)
&rst
ixpk= 1008, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1027,1028,1316,1074,1083,
&end
#
# 90 TRP HH2 70 ALA HN 5.50 (# 1009:15 Unique 4.65, 4.91 A)
&rst
ixpk= 1009, nxpk= 15, iat=1323,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HA 70 ALA HN 5.50 (# 1010:15 Unique 4.79, 4.88 A)
&rst
ixpk= 1010, nxpk= 15, iat=1310,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ASN HB+ 70 ALA HN 4.50 (# 1011:15 Unique 4.15, 4.47 A)
&rst
ixpk= 1011, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1022,1023,
&end
#
# 71 ASP HB+ 70 ALA HN 5.50 (# 1012:15 Unique 4.48, 5.09 A)
&rst
ixpk= 1012, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1046,1047,
&end
#
# 89 GLU HG+ 70 ALA HN 4.50 (# 1013:15 Unique 3.12, 3.94 A)
&rst
ixpk= 1013, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1300,1301,
&end
#
# 70 ALA HN 71 ASP HN 2.80 (# 1015:15 Unique 2.70, 2.82 A)
&rst
ixpk= 1015, nxpk= 15, iat=1032,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 72 ASP HN 71 ASP HN 2.80 (# 1016:15 Unique 2.70, 2.76 A)
&rst
ixpk= 1016, nxpk= 15, iat=1054,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 ASN HD2+ 71 ASP HN 4.50 (# 1017:15 Unique 3.34, 4.59 A)
&rst
ixpk= 1017, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1027,1028,
&end
#
# 69 ASN HD2- 71 ASP HN 4.50 (# 1018:15 Unique 3.34, 4.59 A)
&rst
ixpk= 1018, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1027,1028,
&end
#
# 93 GLN HE2- 71 ASP HN 4.50 (# 1019:15 Unique 3.68, 4.14 A)
&rst
ixpk= 1019, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1374,1375,
&end
#
# 0 AMB 15-2:1020 71 ASP HN 5.50 (# 1020:15 Single Ambig)
&rst
ixpk= 1020, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1058,1059,1269,1270,
&end
#
# 93 GLN HG- 71 ASP HN 5.50 (# 1021:15 Unique 6.16, 6.62 A)
&rst
ixpk= 1021, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1369,1370,
&end
#
# 89 GLU HB- 71 ASP HN 5.50 (# 1022:15 Unique 1.69, 2.44 A)
&rst
ixpk= 1022, nxpk= 15, iat= -1,1042, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1297,1298,
&end
#
# 69 ASN HN 72 ASP HN 5.50 (# 1023:15 Unique 4.51, 4.82 A)
&rst
ixpk= 1023, nxpk= 15, iat=1018,1054, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 ALA HN 72 ASP HN 4.50 (# 1024:15 Unique 4.32, 4.45 A)
&rst
ixpk= 1024, nxpk= 15, iat=1032,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 ASP HN 72 ASP HN 2.80 (# 1025:15 Unique 2.70, 2.76 A)
&rst
ixpk= 1025, nxpk= 15, iat=1042,1054, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 GLN HE2+ 72 ASP HN 5.50 (# 1026:15 Unique 4.24, 4.95 A)
&rst
ixpk= 1026, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1374,1375,
&end
#
# 69 ASN HA 72 ASP HN 4.50 (# 1027:15 Unique 4.54, 4.59 A)
&rst
ixpk= 1027, nxpk= 15, iat=1020,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 ALA HA 72 ASP HN 4.50 (# 1028:15 Unique 3.56, 3.75 A)
&rst
ixpk= 1028, nxpk= 15, iat=1034,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 ALA MB 72 ASP HN 4.50 (# 1029:15 Unique 5.06, 5.30 A)
&rst
ixpk= 1029, nxpk= 15, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1036,1037,1038,
&end
#
# 74 ASP HN 73 TYR HN 4.50 (# 1030:15 Unique 4.50, 4.53 A)
&rst
ixpk= 1030, nxpk= 15, iat=1087,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1032 73 TYR HN 5.50 (# 1032:15 Single Ambig)
&rst
ixpk= 1032, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1089, 67,
&end
#
# 0 AMB 15-2:1033 73 TYR HN 4.50 (# 1033:15 Single Ambig)
&rst
ixpk= 1033, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1369,1370,1046,1047,
&end
#
# 72 ASP HB- 73 TYR HN 4.50 (# 1034:15 Unique 3.15, 3.75 A)
&rst
ixpk= 1034, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1058,1059,
&end
#
# 70 ALA HA 73 TYR HN 4.50 (# 1035:15 Unique 3.51, 3.55 A)
&rst
ixpk= 1035, nxpk= 15, iat=1034,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1036 73 TYR HN 4.50 (# 1036:15 Single Ambig)
&rst
ixpk= 1036, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 47, 48,1297,1298,
&end
#
# 76 VAL MGX 73 TYR HN 5.50 (# 1037:15 Unique 5.09, 7.43 A)
&rst
ixpk= 1037, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 70 ALA MB 73 TYR HN 5.50 (# 1038:15 Unique 4.49, 5.20 A)
&rst
ixpk= 1038, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1036,1037,1038,
&end
#
# 75 VAL HN 74 ASP HN 2.80 (# 1039:15 Unique 2.07, 2.26 A)
&rst
ixpk= 1039, nxpk= 15, iat=1099,1087, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 TYR HN 74 ASP HN 4.50 (# 1040:15 Unique 4.50, 4.53 A)
&rst
ixpk= 1040, nxpk= 15, iat=1066,1087, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 TYR HD 74 ASP HN 4.50 (# 1041:15 Unique 3.98, 4.81 A)
&rst
ixpk= 1041, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1074,1083,
&end
#
# 0 AMB 15-2:1042 74 ASP HN 4.50 (# 1042:15 Single Ambig)
&rst
ixpk= 1042, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 23,1364,
&end
#
# 0 AMB 15-2:1045 74 ASP HN 5.50 (# 1045:15 Single Ambig)
&rst
ixpk= 1045, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1369,1370,1383,1384,
&end
#
# 75 VAL HB 74 ASP HN 4.50 (# 1046:15 Unique 4.40, 4.50 A)
&rst
ixpk= 1046, nxpk= 15, iat=1103,1087, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LYS HG- 74 ASP HN 4.50 (# 1047:15 Unique 3.80, 4.51 A)
&rst
ixpk= 1047, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 50, 51,
&end
#
# 75 VAL MGX 74 ASP HN 5.50 (# 1048:15 Unique 4.25, 6.04 A)
&rst
ixpk= 1048, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 0 AMB 15-2:1049 74 ASP HN 4.50 (# 1049:15 Single Ambig)
&rst
ixpk= 1049, nxpk= 15, iat= -1,1087, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1105,1106,1107,1109,1110,1111, 71, 72, 73, 75,
76, 77,
&end
#
# 3 LYS HN 75 VAL HN 4.50 (# 1050:15 Unique 4.01, 4.21 A)
&rst
ixpk= 1050, nxpk= 15, iat= 43,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 MET HN 75 VAL HN 4.50 (# 1051:15 Unique 4.43, 4.52 A)
&rst
ixpk= 1051, nxpk= 15, iat= 81,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 ASP HN 75 VAL HN 2.80 (# 1052:15 Unique 2.07, 2.26 A)
&rst
ixpk= 1052, nxpk= 15, iat=1087,1099, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1053 75 VAL HN 4.50 (# 1053:15 Single Ambig)
&rst
ixpk= 1053, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 25, 26, 50, 51, 53, 54,1404,1405,
&end
#
# 76 VAL MGX 75 VAL HN 4.50 (# 1054:15 Unique 4.11, 6.39 A)
&rst
ixpk= 1054, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 0 AMB 15-2:1055 75 VAL HN 5.50 (# 1055:15 Single Ambig)
&rst
ixpk= 1055, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 85, 86,1911,1912,1913,1915,1916,1917,
&end
#
# 4 VAL MGX 75 VAL HN 4.50 (# 1056:15 Unique 4.03, 5.31 A)
&rst
ixpk= 1056, nxpk= 15, iat= -1,1099, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 5 MET HN 76 VAL HN 5.50 (# 1057:15 Unique 4.61, 4.79 A)
&rst
ixpk= 1057, nxpk= 15, iat= 81,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ILE HN 76 VAL HN 4.50 (# 1058:15 Unique 3.78, 3.88 A)
&rst
ixpk= 1058, nxpk= 15, iat=1394,1115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLU HN 76 VAL HN 5.50 (# 1059:15 Unique 3.82, 4.00 A)
&rst
ixpk= 1059, nxpk= 15, iat=1433,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 PHE HD 76 VAL HN 4.50 (# 1060:15 Unique 3.91, 5.79 A)
&rst
ixpk= 1060, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1421,1429,
&end
#
# 0 AMB 15-2:1061 76 VAL HN 4.50 (# 1061:15 Single Ambig)
&rst
ixpk= 1061, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1133,1396,
&end
#
# 0 AMB 15-2:1062 76 VAL HN 5.50 (# 1062:15 Single Ambig)
&rst
ixpk= 1062, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1070,1071,1091,1092,
&end
#
# 93 GLN HG+ 76 VAL HN 5.50 (# 1063:15 Unique 3.17, 4.37 A)
&rst
ixpk= 1063, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1369,1370,
&end
#
# 0 AMB 15-2:1064 76 VAL HN 4.50 (# 1064:15 Single Ambig)
&rst
ixpk= 1064, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1103,1437,1438,
&end
#
# 0 AMB 15-2:1065 76 VAL HN 5.50 (# 1065:15 Single Ambig)
&rst
ixpk= 1065, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1911,1912,1913,1915,1916,1917,1404,1405, 88, 89,
&end
#
# 77 ILE QD1 76 VAL HN 4.50 (# 1066:15 Unique 3.88, 5.00 A)
&rst
ixpk= 1066, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1144,1145,1146,
&end
#
# 6 PHE HD 77 ILE HN 5.50 (# 1068:15 Unique 2.87, 5.46 A)
&rst
ixpk= 1068, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 6 PHE HA 77 ILE HN 4.50 (# 1069:15 Unique 3.05, 3.29 A)
&rst
ixpk= 1069, nxpk= 15, iat= 100,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ILE HA 77 ILE HN 4.50 (# 1070:15 Unique 2.95, 2.97 A)
&rst
ixpk= 1070, nxpk= 15, iat=1133,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 MET HB+ 77 ILE HN 4.50 (# 1071:15 Unique 3.41, 4.50 A)
&rst
ixpk= 1071, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 85, 86,
&end
#
# 76 VAL MGX 77 ILE HN 4.50 (# 1072:15 Unique 3.01, 4.33 A)
&rst
ixpk= 1072, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 77 ILE HG1+ 77 ILE HN 4.50 (# 1075:15 Unique 2.95, 3.73 A)
&rst
ixpk= 1075, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1141,1142,
&end
#
# 77 ILE QG2 77 ILE HN 4.50 (# 1077:15 Unique 4.22, 4.60 A)
&rst
ixpk= 1077, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1137,1138,1139,
&end
#
# 99 TRP HN 78 SER HN 5.50 (# 1078:15 Unique 3.89, 4.25 A)
&rst
ixpk= 1078, nxpk= 15, iat=1460,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 PHE HD 78 SER HN 4.50 (# 1079:15 Unique 3.19, 5.72 A)
&rst
ixpk= 1079, nxpk= 15, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1421,1429,
&end
#
# 78 SER HA 78 SER HN 4.50 (# 1080:15 Unique 2.87, 2.94 A)
&rst
ixpk= 1080, nxpk= 15, iat=1152,1150, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HB+ 78 SER HN 3.50 (# 1081:15 Unique 2.30, 2.98 A)
&rst
ixpk= 1081, nxpk= 15, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1154,1155,
&end
#
# 0 AMB 15-2:1082 78 SER HN 5.50 (# 1082:15 Single Ambig)
&rst
ixpk= 1082, nxpk= 15, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 124, 125, 126, 128, 129, 130,1255,1256,1257,1259,
1260,1261,1141,1142,
&end
#
# 77 ILE QD1 78 SER HN 4.50 (# 1083:15 Unique 4.39, 5.07 A)
&rst
ixpk= 1083, nxpk= 15, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1144,1145,1146,
&end
#
# 0 AMB 15-2:1084 78 SER HN 4.50 (# 1084:15 Single Ambig)
&rst
ixpk= 1084, nxpk= 15, iat= -1,1150, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1170,1171,1172,1174,1175,1176,1255,1256,1257,1259,
1260,1261,
&end
#
# 81 GLY HN 79 LEU HN 4.50 (# 1085:15 Unique 3.32, 4.29 A)
&rst
ixpk= 1085, nxpk= 15, iat=1191,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 CYS HN 79 LEU HN 5.50 (# 1086:15 Unique 1.86, 2.46 A)
&rst
ixpk= 1086, nxpk= 15, iat=1180,1161, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 LEU HN 80 CYS HN 4.50 (# 1089:15 Unique 1.86, 2.46 A)
&rst
ixpk= 1089, nxpk= 15, iat=1161,1180, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 GLY HN 80 CYS HN 4.50 (# 1090:15 Unique 1.60, 2.32 A)
&rst
ixpk= 1090, nxpk= 15, iat=1191,1180, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 LEU HA 80 CYS HN 4.50 (# 1092:15 Unique 2.19, 2.72 A)
&rst
ixpk= 1092, nxpk= 15, iat=1163,1180, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 CYS HB- 80 CYS HN 4.50 (# 1094:15 Unique 2.44, 3.26 A)
&rst
ixpk= 1094, nxpk= 15, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1184,1185,
&end
#
# 80 CYS HB+ 80 CYS HN 5.50 (# 1095:15 Unique 2.44, 3.26 A)
&rst
ixpk= 1095, nxpk= 15, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1184,1185,
&end
#
# 81 GLY HA+ 81 GLY HN 3.50 (# 1097:15 Unique 2.24, 2.60 A)
&rst
ixpk= 1097, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1193,1194,
&end
#
# 80 CYS HN 81 GLY HN 4.50 (# 1098:15 Unique 1.60, 2.32 A)
&rst
ixpk= 1098, nxpk= 15, iat=1180,1191, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 CYS HN 81 GLY HN 4.50 (# 1099:15 Unique 1.76, 2.43 A)
&rst
ixpk= 1099, nxpk= 15, iat=1198,1191, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HB- 81 GLY HN 5.50 (# 1100:15 Unique 2.56, 5.26 A)
&rst
ixpk= 1100, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1154,1155,
&end
#
# 80 CYS HA 81 GLY HN 5.50 (# 1101:15 Unique 2.80, 3.27 A)
&rst
ixpk= 1101, nxpk= 15, iat=1182,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 CYS HB+ 81 GLY HN 5.50 (# 1103:15 Unique 3.02, 4.12 A)
&rst
ixpk= 1103, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1184,1185,
&end
#
# 81 GLY HN 82 CYS HN 4.50 (# 1105:15 Unique 1.76, 2.43 A)
&rst
ixpk= 1105, nxpk= 15, iat=1191,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HN 82 CYS HN 5.50 (# 1106:15 Unique 4.89, 5.42 A)
&rst
ixpk= 1106, nxpk= 15, iat=1460,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLY HN 82 CYS HN 4.50 (# 1107:15 Unique 2.75, 3.20 A)
&rst
ixpk= 1107, nxpk= 15, iat=1209,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 VAL HN 83 GLY HN 4.50 (# 1109:15 Unique 1.83, 2.40 A)
&rst
ixpk= 1109, nxpk= 15, iat=1216,1209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 CYS HN 83 GLY HN 5.50 (# 1110:15 Unique 2.75, 3.20 A)
&rst
ixpk= 1110, nxpk= 15, iat=1198,1209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 GLY HA+ 83 GLY HN 3.50 (# 1112:15 Unique 2.29, 2.72 A)
&rst
ixpk= 1112, nxpk= 15, iat= -1,1209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1211,1212,
&end
#
# 82 CYS HB+ 83 GLY HN 4.50 (# 1113:15 Unique 2.92, 4.18 A)
&rst
ixpk= 1113, nxpk= 15, iat= -1,1209, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1202,1203,
&end
#
# 85 ASN HN 84 VAL HN 4.50 (# 1115:15 Unique 2.36, 4.36 A)
&rst
ixpk= 1115, nxpk= 15, iat=1232,1216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 ASN HA 84 VAL HN 5.50 (# 1117:15 Unique 4.40, 5.22 A)
&rst
ixpk= 1117, nxpk= 15, iat=1234,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 CYS HB- 84 VAL HN 4.50 (# 1118:15 Unique 3.17, 4.36 A)
&rst
ixpk= 1118, nxpk= 15, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1184,1185,
&end
#
# 80 CYS HB+ 84 VAL HN 4.50 (# 1119:15 Unique 3.17, 4.36 A)
&rst
ixpk= 1119, nxpk= 15, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1184,1185,
&end
#
# 86 LEU HN 85 ASN HN 4.50 (# 1120:15 Unique 3.07, 4.19 A)
&rst
ixpk= 1120, nxpk= 15, iat=1246,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 ASN HD2- 85 ASN HN 5.50 (# 1121:15 Unique 3.73, 4.84 A)
&rst
ixpk= 1121, nxpk= 15, iat= -1,1232, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1241,1242,
&end
#
# 84 VAL HN 85 ASN HN 4.50 (# 1122:15 Unique 2.36, 4.36 A)
&rst
ixpk= 1122, nxpk= 15, iat=1216,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HD1 89 GLU HN 4.50 (# 1126:15 Unique 2.97, 3.20 A)
&rst
ixpk= 1126, nxpk= 15, iat=1316,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HB- 89 GLU HN 4.50 (# 1127:15 Unique 4.68, 5.40 A)
&rst
ixpk= 1127, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1312,1313,
&end
#
# 0 AMB 15-2:1128 89 GLU HN 5.50 (# 1128:15 Single Ambig)
&rst
ixpk= 1128, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1312,1313,1266,1267,
&end
#
# 87 PRO HB+ 89 GLU HN 4.50 (# 1129:15 Unique 2.63, 3.78 A)
&rst
ixpk= 1129, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1272,1273,
&end
#
# 91 VAL MGX 89 GLU HN 5.50 (# 1130:15 Unique 4.26, 6.29 A)
&rst
ixpk= 1130, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 70 ALA MB 89 GLU HN 4.50 (# 1131:15 Unique 4.69, 5.77 A)
&rst
ixpk= 1131, nxpk= 15, iat= -1,1293, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1036,1037,1038,
&end
#
# 0 AMB 15-2:1132 0 AMB 15-1:1132 5.50 (# 1132:15 Double Ambig)
&rst
ixpk= 1132, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 656,1374,1375,
igr2= 698,1308,
&end
#
# 0 AMB 15-2:1133 0 AMB 15-1:1133 5.50 (# 1133:15 Double Ambig)
&rst
ixpk= 1133, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 678,1417,1418,
igr2= 698,1308,
&end
#
# 89 GLU HN 91 VAL HN 5.50 (# 1134:15 Unique 4.12, 4.37 A)
&rst
ixpk= 1134, nxpk= 15, iat=1293,1332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1136 91 VAL HN 4.50 (# 1136:15 Single Ambig)
&rst
ixpk= 1136, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1352,1350,
&end
#
# 89 GLU HA 91 VAL HN 4.50 (# 1137:15 Unique 3.74, 4.04 A)
&rst
ixpk= 1137, nxpk= 15, iat=1295,1332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 90 TRP HB+ 91 VAL HN 4.50 (# 1138:15 Unique 3.26, 3.89 A)
&rst
ixpk= 1138, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1312,1313,
&end
#
# 90 TRP HB- 91 VAL HN 4.50 (# 1139:15 Unique 3.26, 3.89 A)
&rst
ixpk= 1139, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1312,1313,
&end
#
# 93 GLN HG- 91 VAL HN 5.50 (# 1140:15 Unique 3.50, 4.54 A)
&rst
ixpk= 1140, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1369,1370,
&end
#
# 91 VAL HB 91 VAL HN 4.50 (# 1141:15 Unique 2.32, 3.55 A)
&rst
ixpk= 1141, nxpk= 15, iat=1336,1332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 LEU HB+ 91 VAL HN 5.50 (# 1142:15 Unique 4.87, 5.65 A)
&rst
ixpk= 1142, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1250,1251,
&end
#
# 86 LEU HB- 91 VAL HN 5.50 (# 1143:15 Unique 4.87, 5.65 A)
&rst
ixpk= 1143, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1250,1251,
&end
#
# 92 THR MG2 91 VAL HN 4.50 (# 1144:15 Unique 2.52, 4.55 A)
&rst
ixpk= 1144, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1354,1355,1356,
&end
#
# 70 ALA MB 91 VAL HN 5.50 (# 1145:15 Unique 4.96, 5.67 A)
&rst
ixpk= 1145, nxpk= 15, iat= -1,1332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1036,1037,1038,
&end
#
# 89 GLU HA 92 THR HN 3.50 (# 1147:15 Unique 3.67, 4.01 A)
&rst
ixpk= 1147, nxpk= 15, iat=1295,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HB- 92 THR HN 5.50 (# 1148:15 Unique 5.32, 5.68 A)
&rst
ixpk= 1148, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1312,1313,
&end
#
# 93 GLN HG- 92 THR HN 4.50 (# 1149:15 Unique 2.74, 3.81 A)
&rst
ixpk= 1149, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1369,1370,
&end
#
# 0 AMB 15-2:1150 92 THR HN 5.50 (# 1150:15 Single Ambig)
&rst
ixpk= 1150, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1366,1367,1297,1298,
&end
#
# 91 VAL HB 92 THR HN 4.50 (# 1151:15 Unique 2.89, 4.13 A)
&rst
ixpk= 1151, nxpk= 15, iat=1336,1348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 VAL MGY 92 THR HN 4.50 (# 1152:15 Unique 2.66, 4.70 A)
&rst
ixpk= 1152, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 94 GLU HN 93 GLN HN 4.50 (# 1153:15 Unique 4.45, 4.52 A)
&rst
ixpk= 1153, nxpk= 15, iat=1379,1362, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 GLN HE2+ 93 GLN HN 4.50 (# 1155:15 Unique 2.16, 3.28 A)
&rst
ixpk= 1155, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1374,1375,
&end
#
# 93 GLN HE2- 93 GLN HN 5.50 (# 1156:15 Unique 2.16, 3.28 A)
&rst
ixpk= 1156, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1374,1375,
&end
#
# 74 ASP HA 93 GLN HN 5.50 (# 1157:15 Unique 5.55, 5.61 A)
&rst
ixpk= 1157, nxpk= 15, iat=1089,1362, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HA 93 GLN HN 5.50 (# 1158:15 Unique 4.70, 5.12 A)
&rst
ixpk= 1158, nxpk= 15, iat=1310,1362, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1159 93 GLN HN 4.50 (# 1159:15 Single Ambig)
&rst
ixpk= 1159, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1334,1044,
&end
#
# 0 AMB 15-2:1160 93 GLN HN 5.50 (# 1160:15 Single Ambig)
&rst
ixpk= 1160, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1381,1295,
&end
#
# 96 PHE HB+ 93 GLN HN 5.50 (# 1161:15 Unique 3.79, 5.35 A)
&rst
ixpk= 1161, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1417,1418,
&end
#
# 92 THR MG2 93 GLN HN 4.50 (# 1163:15 Unique 4.19, 4.68 A)
&rst
ixpk= 1163, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1354,1355,1356,
&end
#
# 76 VAL MGX 93 GLN HN 5.50 (# 1164:15 Unique 5.45, 7.10 A)
&rst
ixpk= 1164, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 91 VAL MGX 93 GLN HN 5.50 (# 1165:15 Unique 4.92, 6.76 A)
&rst
ixpk= 1165, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1338,1339,1340,1342,1343,1344,
&end
#
# 95 ILE HN 94 GLU HN 3.50 (# 1166:15 Unique 1.99, 2.23 A)
&rst
ixpk= 1166, nxpk= 15, iat=1394,1379, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 VAL HA 94 GLU HN 5.50 (# 1167:15 Unique 3.35, 3.54 A)
&rst
ixpk= 1167, nxpk= 15, iat=1101,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ASP HB+ 94 GLU HN 4.50 (# 1169:15 Unique 3.30, 4.25 A)
&rst
ixpk= 1169, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1091,1092,
&end
#
# 75 VAL HB 94 GLU HN 5.50 (# 1171:15 Unique 5.61, 5.65 A)
&rst
ixpk= 1171, nxpk= 15, iat=1103,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ILE HG1- 94 GLU HN 5.50 (# 1172:15 Unique 4.79, 5.54 A)
&rst
ixpk= 1172, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 0 AMB 15-2:1173 94 GLU HN 5.50 (# 1173:15 Single Ambig)
&rst
ixpk= 1173, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1404,1405,1121,1122,1123,1125,1126,1127,
&end
#
# 75 VAL MGX 94 GLU HN 5.50 (# 1174:15 Unique 3.46, 5.37 A)
&rst
ixpk= 1174, nxpk= 15, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 74 ASP HA 95 ILE HN 5.50 (# 1175:15 Unique 4.38, 4.61 A)
&rst
ixpk= 1175, nxpk= 15, iat=1089,1394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 GLU HN 95 ILE HN 2.80 (# 1176:15 Unique 1.99, 2.23 A)
&rst
ixpk= 1176, nxpk= 15, iat=1379,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 GLU HA 95 ILE HN 4.50 (# 1177:15 Unique 3.56, 3.58 A)
&rst
ixpk= 1177, nxpk= 15, iat=1381,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLU HB+ 95 ILE HN 2.80 (# 1178:15 Unique 2.90, 3.56 A)
&rst
ixpk= 1178, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1383,1384,
&end
#
# 93 GLN HG- 95 ILE HN 4.50 (# 1179:15 Unique 4.71, 5.15 A)
&rst
ixpk= 1179, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1369,1370,
&end
#
# 75 VAL HB 95 ILE HN 4.50 (# 1180:15 Unique 4.63, 4.66 A)
&rst
ixpk= 1180, nxpk= 15, iat=1103,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 VAL MGY 95 ILE HN 4.50 (# 1181:15 Unique 2.13, 3.94 A)
&rst
ixpk= 1181, nxpk= 15, iat= -1,1394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 95 ILE HN 96 PHE HN 4.50 (# 1182:15 Unique 4.28, 4.35 A)
&rst
ixpk= 1182, nxpk= 15, iat=1394,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLU HN 96 PHE HN 5.50 (# 1183:15 Unique 3.94, 4.01 A)
&rst
ixpk= 1183, nxpk= 15, iat=1433,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 PHE HD 96 PHE HN 4.50 (# 1184:15 Unique 4.76, 4.91 A)
&rst
ixpk= 1184, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1421,1429,
&end
#
# 97 GLU HG+ 96 PHE HN 5.50 (# 1185:15 Unique 3.24, 4.62 A)
&rst
ixpk= 1185, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1440,1441,
&end
#
# 97 GLU HB- 96 PHE HN 4.50 (# 1186:15 Unique 4.13, 5.26 A)
&rst
ixpk= 1186, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1437,1438,
&end
#
# 0 AMB 15-2:1187 96 PHE HN 4.50 (# 1187:15 Single Ambig)
&rst
ixpk= 1187, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1366,1367,1398,
&end
#
# 95 ILE HG1- 96 PHE HN 4.50 (# 1188:15 Unique 4.25, 4.75 A)
&rst
ixpk= 1188, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 0 AMB 15-2:1189 96 PHE HN 4.50 (# 1189:15 Single Ambig)
&rst
ixpk= 1189, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1404,1405,1121,1122,1123,1125,1126,1127,
&end
#
# 75 VAL MGY 96 PHE HN 5.50 (# 1190:15 Unique 4.88, 6.37 A)
&rst
ixpk= 1190, nxpk= 15, iat= -1,1413, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1105,1106,1107,1109,1110,1111,
&end
#
# 78 SER HN 97 GLU HN 5.50 (# 1191:15 Unique 3.17, 3.57 A)
&rst
ixpk= 1191, nxpk= 15, iat=1150,1433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1192 97 GLU HN 4.50 (# 1192:15 Single Ambig)
&rst
ixpk= 1192, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1413,1448,
&end
#
# 97 GLU HA 97 GLU HN 4.50 (# 1193:15 Unique 2.92, 2.95 A)
&rst
ixpk= 1193, nxpk= 15, iat=1435,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 PHE HB+ 97 GLU HN 5.50 (# 1194:15 Unique 4.08, 4.29 A)
&rst
ixpk= 1194, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1417,1418,
&end
#
# 96 PHE HB- 97 GLU HN 5.50 (# 1195:15 Unique 4.08, 4.29 A)
&rst
ixpk= 1195, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1417,1418,
&end
#
# 97 GLU HG+ 97 GLU HN 4.50 (# 1196:15 Unique 3.62, 4.30 A)
&rst
ixpk= 1196, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1440,1441,
&end
#
# 97 GLU HB- 97 GLU HN 4.50 (# 1197:15 Unique 2.56, 3.10 A)
&rst
ixpk= 1197, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1437,1438,
&end
#
# 97 GLU HB+ 97 GLU HN 4.50 (# 1198:15 Unique 2.56, 3.10 A)
&rst
ixpk= 1198, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1437,1438,
&end
#
# 0 AMB 15-2:1199 97 GLU HN 4.50 (# 1199:15 Single Ambig)
&rst
ixpk= 1199, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
&end
#
# 77 ILE QD1 97 GLU HN 4.50 (# 1200:15 Unique 2.95, 4.01 A)
&rst
ixpk= 1200, nxpk= 15, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1144,1145,1146,
&end
#
# 99 TRP HE1 98 ASP HN 5.50 (# 1201:15 Unique 4.37, 4.66 A)
&rst
ixpk= 1201, nxpk= 15, iat=1470,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HN 98 ASP HN 4.50 (# 1202:15 Unique 4.01, 4.18 A)
&rst
ixpk= 1202, nxpk= 15, iat=1460,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 PHE HD 98 ASP HN 5.50 (# 1203:15 Unique 5.38, 6.57 A)
&rst
ixpk= 1203, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1421,1429,
&end
#
# 97 GLU HN 98 ASP HN 5.50 (# 1204:15 Unique 4.27, 4.32 A)
&rst
ixpk= 1204, nxpk= 15, iat=1433,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HD1 98 ASP HN 4.50 (# 1205:15 Unique 3.31, 3.53 A)
&rst
ixpk= 1205, nxpk= 15, iat=1468,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1206 98 ASP HN 5.50 (# 1206:15 Single Ambig)
&rst
ixpk= 1206, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1462,1163,
&end
#
# 77 ILE QD1 98 ASP HN 4.50 (# 1208:15 Unique 4.88, 5.67 A)
&rst
ixpk= 1208, nxpk= 15, iat= -1,1448, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1144,1145,1146,
&end
#
# 0 AMB 15-2:1210 99 TRP HN 4.50 (# 1210:15 Single Ambig)
&rst
ixpk= 1210, nxpk= 15, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1163,1462,
&end
#
# 99 TRP HB- 99 TRP HN 4.50 (# 1211:15 Unique 2.51, 3.18 A)
&rst
ixpk= 1211, nxpk= 15, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 99 TRP HB+ 99 TRP HN 4.50 (# 1212:15 Unique 2.51, 3.18 A)
&rst
ixpk= 1212, nxpk= 15, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 102 GLU HN 101 LEU HN 5.50 (# 1213:15 Unique 4.37, 4.63 A)
&rst
ixpk= 1213, nxpk= 15, iat=1520,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 GLN HB+ 101 LEU HN 4.50 (# 1215:15 Unique 2.16, 4.28 A)
&rst
ixpk= 1215, nxpk= 15, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1488,1489,
&end
#
# 100 GLN HG- 101 LEU HN 4.50 (# 1216:15 Unique 2.03, 5.19 A)
&rst
ixpk= 1216, nxpk= 15, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1491,1492,
&end
#
# 101 LEU HG 101 LEU HN 4.50 (# 1217:15 Unique 4.19, 4.31 A)
&rst
ixpk= 1217, nxpk= 15, iat=1508,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLU HN 103 ASP HN 4.50 (# 1218:15 Unique 4.50, 4.55 A)
&rst
ixpk= 1218, nxpk= 15, iat=1520,1535, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 PRO HD+ 103 ASP HN 4.50 (# 1219:15 Unique 3.38, 4.88 A)
&rst
ixpk= 1219, nxpk= 15, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1548,1549,
&end
#
# 14 ARG HD+ 103 ASP HN 4.50 (# 1220:15 Unique 4.59, 5.32 A)
&rst
ixpk= 1220, nxpk= 15, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 237, 238,
&end
#
# 115 VAL MGY 103 ASP HN 4.50 (# 1221:15 Unique 3.82, 5.96 A)
&rst
ixpk= 1221, nxpk= 15, iat= -1,1535, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1722,1723,1724,1726,1727,1728,
&end
#
# 104 PRO HD- 105 ASP HN 4.50 (# 1222:15 Unique 2.39, 3.66 A)
&rst
ixpk= 1222, nxpk= 15, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1548,1549,
&end
#
# 103 ASP HA 105 ASP HN 5.50 (# 1224:15 Unique 3.54, 3.78 A)
&rst
ixpk= 1224, nxpk= 15, iat=1537,1561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 ASP HA 105 ASP HN 3.50 (# 1225:15 Unique 2.42, 2.71 A)
&rst
ixpk= 1225, nxpk= 15, iat=1563,1561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 PRO HG+ 105 ASP HN 4.50 (# 1226:15 Unique 4.43, 5.00 A)
&rst
ixpk= 1226, nxpk= 15, iat= -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1551,1552,
&end
#
# 107 GLN HN 106 GLY HN 4.50 (# 1227:15 Unique 2.81, 2.98 A)
&rst
ixpk= 1227, nxpk= 15, iat=1580,1573, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 VAL MGX 107 GLN HN 5.50 (# 1228:15 Unique 5.64, 7.06 A)
&rst
ixpk= 1228, nxpk= 15, iat= -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 111 VAL HN 108 SER HN 4.50 (# 1230:15 Unique 3.82, 4.06 A)
&rst
ixpk= 1230, nxpk= 15, iat=1642,1597, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 GLN HN 108 SER HN 4.50 (# 1231:15 Unique 4.40, 4.51 A)
&rst
ixpk= 1231, nxpk= 15, iat=1580,1597, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1232 108 SER HN 5.50 (# 1232:15 Single Ambig)
&rst
ixpk= 1232, nxpk= 15, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1557,1575,1576,
&end
#
# 107 GLN HB- 108 SER HN 2.80 (# 1235:15 Unique 1.85, 2.92 A)
&rst
ixpk= 1235, nxpk= 15, iat= -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1584,1585,
&end
#
# 109 LEU HA 109 LEU HN 2.80 (# 1236:15 Unique 2.84, 2.86 A)
&rst
ixpk= 1236, nxpk= 15, iat=1610,1608, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 109 LEU MDY 109 LEU HN 4.50 (# 1237:15 Unique 3.05, 4.40 A)
&rst
ixpk= 1237, nxpk= 15, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 112 PHE HN 110 GLU HN 5.50 (# 1239:15 Unique 4.02, 4.15 A)
&rst
ixpk= 1239, nxpk= 15, iat=1658,1627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 PHE HB+ 110 GLU HN 5.50 (# 1240:15 Unique 4.74, 5.79 A)
&rst
ixpk= 1240, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1662,1663,
&end
#
# 111 VAL MGY 110 GLU HN 4.50 (# 1241:15 Unique 4.26, 6.36 A)
&rst
ixpk= 1241, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 109 LEU MDX 110 GLU HN 5.50 (# 1242:15 Unique 5.01, 5.84 A)
&rst
ixpk= 1242, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 113 ARG HN 111 VAL HN 4.50 (# 1245:15 Unique 4.07, 4.19 A)
&rst
ixpk= 1245, nxpk= 15, iat=1678,1642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 109 LEU HN 111 VAL HN 4.50 (# 1246:15 Unique 4.31, 4.38 A)
&rst
ixpk= 1246, nxpk= 15, iat=1608,1642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 110 GLU HN 111 VAL HN 2.80 (# 1247:15 Unique 2.61, 2.71 A)
&rst
ixpk= 1247, nxpk= 15, iat=1627,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 PHE HN 111 VAL HN 2.80 (# 1248:15 Unique 2.60, 2.66 A)
&rst
ixpk= 1248, nxpk= 15, iat=1658,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 PHE HD 111 VAL HN 5.50 (# 1249:15 Unique 4.03, 6.01 A)
&rst
ixpk= 1249, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1666,1674,
&end
#
# 107 GLN HE2- 111 VAL HN 5.50 (# 1250:15 Unique 6.03, 6.30 A)
&rst
ixpk= 1250, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1592,1593,
&end
#
# 0 AMB 15-2:1251 111 VAL HN 3.50 (# 1251:15 Single Ambig)
&rst
ixpk= 1251, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1601,1602,1629,
&end
#
# 112 PHE HB+ 111 VAL HN 4.50 (# 1252:15 Unique 4.54, 5.36 A)
&rst
ixpk= 1252, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1662,1663,
&end
#
# 0 AMB 15-2:1256 112 PHE HN 4.50 (# 1256:15 Single Ambig)
&rst
ixpk= 1256, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1627,1702,
&end
#
# 49 MET HG+ 112 PHE HN 5.50 (# 1257:15 Unique 4.26, 5.74 A)
&rst
ixpk= 1257, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 734, 735,
&end
#
# 0 AMB 15-2:1258 112 PHE HN 5.50 (# 1258:15 Single Ambig)
&rst
ixpk= 1258, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1720,1682,1683,
&end
#
# 0 AMB 15-2:1259 112 PHE HN 4.50 (# 1259:15 Single Ambig)
&rst
ixpk= 1259, nxpk= 15, iat= -1,1658, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1554,1555, 680, 681, 682,
&end
#
# 114 THR HB 113 ARG HN 5.50 (# 1260:15 Unique 4.96, 5.07 A)
&rst
ixpk= 1260, nxpk= 15, iat=1706,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HN 113 ARG HN 5.50 (# 1261:15 Unique 4.07, 4.19 A)
&rst
ixpk= 1261, nxpk= 15, iat=1642,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 PHE HD 113 ARG HN 4.50 (# 1262:15 Unique 4.65, 5.13 A)
&rst
ixpk= 1262, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1666,1674,
&end
#
# 109 LEU HA 113 ARG HN 4.50 (# 1263:15 Unique 3.81, 4.02 A)
&rst
ixpk= 1263, nxpk= 15, iat=1610,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 THR HA 113 ARG HN 5.50 (# 1264:15 Unique 5.29, 5.36 A)
&rst
ixpk= 1264, nxpk= 15, iat=1704,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HA 113 ARG HN 4.50 (# 1265:15 Unique 4.28, 4.39 A)
&rst
ixpk= 1265, nxpk= 15, iat=1644,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 PHE HB- 113 ARG HN 4.50 (# 1267:15 Unique 2.57, 2.98 A)
&rst
ixpk= 1267, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1662,1663,
&end
#
# 49 MET HG+ 113 ARG HN 4.50 (# 1268:15 Unique 2.92, 5.07 A)
&rst
ixpk= 1268, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 734, 735,
&end
#
# 111 VAL HB 113 ARG HN 5.50 (# 1269:15 Unique 5.27, 5.36 A)
&rst
ixpk= 1269, nxpk= 15, iat=1646,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 115 VAL HN 114 THR HN 3.50 (# 1271:15 Unique 2.64, 2.72 A)
&rst
ixpk= 1271, nxpk= 15, iat=1716,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR MG2 114 THR HN 4.50 (# 1272:15 Unique 4.40, 4.51 A)
&rst
ixpk= 1272, nxpk= 15, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1708,1709,1710,
&end
#
# 0 AMB 15-2:1273 114 THR HN 4.50 (# 1273:15 Single Ambig)
&rst
ixpk= 1273, nxpk= 15, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,
&end
#
# 111 VAL MGX 114 THR HN 5.50 (# 1274:15 Unique 4.78, 5.81 A)
&rst
ixpk= 1274, nxpk= 15, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 116 ARG HN 115 VAL HN 3.50 (# 1275:15 Unique 2.63, 2.71 A)
&rst
ixpk= 1275, nxpk= 15, iat=1732,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 THR HN 115 VAL HN 3.50 (# 1276:15 Unique 2.64, 2.72 A)
&rst
ixpk= 1276, nxpk= 15, iat=1702,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 GLN HN 115 VAL HN 5.50 (# 1277:15 Unique 4.76, 5.03 A)
&rst
ixpk= 1277, nxpk= 15, iat=1763,1716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HB 115 VAL HN 5.50 (# 1280:15 Unique 5.37, 5.50 A)
&rst
ixpk= 1280, nxpk= 15, iat=1646,1716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1281 115 VAL HN 4.50 (# 1281:15 Single Ambig)
&rst
ixpk= 1281, nxpk= 15, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1736,1737,1767,1768,
&end
#
# 0 AMB 15-2:1282 115 VAL HN 5.50 (# 1282:15 Single Ambig)
&rst
ixpk= 1282, nxpk= 15, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1527,1528, 755, 756, 757,
&end
#
# 0 AMB 15-2:1283 115 VAL HN 5.50 (# 1283:15 Single Ambig)
&rst
ixpk= 1283, nxpk= 15, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1524,1525,1505,1506,
&end
#
# 111 VAL MGX 115 VAL HN 4.50 (# 1284:15 Unique 3.93, 5.53 A)
&rst
ixpk= 1284, nxpk= 15, iat= -1,1716, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1648,1649,1650,1652,1653,1654,
&end
#
# 0 AMB 15-2:1285 0 AMB 15-1:1285 3.50 (# 1285:15 Double Ambig)
&rst
ixpk= 1285, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1888,1756,
igr2=1873,1732,
&end
#
# 0 AMB 15-2:1286 0 AMB 15-1:1286 3.50 (# 1286:15 Double Ambig)
&rst
ixpk= 1286, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1680,1859, 229,
igr2=1732,1873,
&end
#
# 0 AMB 15-2:1287 124 GLU HN 4.50 (# 1287:15 Single Ambig)
&rst
ixpk= 1287, nxpk= 15, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1892,1893,1809,1810,
&end
#
# 115 VAL HN 117 GLY HN 5.50 (# 1288:15 Unique 4.10, 4.26 A)
&rst
ixpk= 1288, nxpk= 15, iat=1716,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 ARG HG+ 117 GLY HN 4.50 (# 1289:15 Unique 2.12, 2.93 A)
&rst
ixpk= 1289, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1739,1740,
&end
#
# 118 GLN HG- 117 GLY HN 5.50 (# 1290:15 Unique 3.65, 4.83 A)
&rst
ixpk= 1290, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1770,1771,
&end
#
# 0 AMB 15-2:1291 117 GLY HN 5.50 (# 1291:15 Single Ambig)
&rst
ixpk= 1291, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1800,1801,1685,1686,
&end
#
# 119 VAL MGY 117 GLY HN 5.50 (# 1292:15 Unique 5.31, 6.96 A)
&rst
ixpk= 1292, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1786,1787,1788,1790,1791,1792,
&end
#
# 0 AMB 15-2:1293 117 GLY HN 5.50 (# 1293:15 Single Ambig)
&rst
ixpk= 1293, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
1727,1728,
&end
#
# 120 LYS HB- 117 GLY HN 5.50 (# 1294:15 Unique 4.60, 6.36 A)
&rst
ixpk= 1294, nxpk= 15, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1800,1801,
&end
#
# 121 GLU HN 118 GLN HN 5.50 (# 1295:15 Unique 4.58, 5.37 A)
&rst
ixpk= 1295, nxpk= 15, iat=1818,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HA 118 GLN HN 5.50 (# 1296:15 Unique 4.98, 5.17 A)
&rst
ixpk= 1296, nxpk= 15, iat=1782,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LYS HB+ 118 GLN HN 5.50 (# 1297:15 Unique 4.07, 5.88 A)
&rst
ixpk= 1297, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1800,1801,
&end
#
# 121 GLU HN 119 VAL HN 4.50 (# 1299:15 Unique 4.20, 4.51 A)
&rst
ixpk= 1299, nxpk= 15, iat=1818,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1300 119 VAL HN 3.50 (# 1300:15 Single Ambig)
&rst
ixpk= 1300, nxpk= 15, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1718,1758,1759,
&end
#
# 120 LYS HA 119 VAL HN 5.50 (# 1301:15 Unique 5.01, 5.17 A)
&rst
ixpk= 1301, nxpk= 15, iat=1798,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1302 119 VAL HN 4.50 (# 1302:15 Single Ambig)
&rst
ixpk= 1302, nxpk= 15, iat= -1,1780, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1800,1801,1806,1807,
&end
#
# 0 AMB 15-2:1303 120 LYS HN 5.50 (# 1303:15 Single Ambig)
&rst
ixpk= 1303, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1857,1873,
&end
#
# 0 AMB 15-2:1304 120 LYS HN 4.50 (# 1304:15 Single Ambig)
&rst
ixpk= 1304, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1763,1756,
&end
#
# 21 PHE HD 120 LYS HN 4.50 (# 1305:15 Unique 3.38, 5.71 A)
&rst
ixpk= 1305, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 336, 344,
&end
#
# 119 VAL HA 120 LYS HN 4.50 (# 1306:15 Unique 3.54, 3.57 A)
&rst
ixpk= 1306, nxpk= 15, iat=1782,1796, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1307 120 LYS HN 4.50 (# 1307:15 Single Ambig)
&rst
ixpk= 1307, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1822,1823,1739,1740,1767,1768,
&end
#
# 120 LYS HG- 120 LYS HN 4.50 (# 1308:15 Unique 1.93, 3.03 A)
&rst
ixpk= 1308, nxpk= 15, iat= -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 0 AMB 15-2:1309 121 GLU HN 4.50 (# 1309:15 Single Ambig)
&rst
ixpk= 1309, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1857,1873,
&end
#
# 119 VAL HN 121 GLU HN 4.50 (# 1310:15 Unique 4.20, 4.51 A)
&rst
ixpk= 1310, nxpk= 15, iat=1780,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 GLN HN 121 GLU HN 5.50 (# 1311:15 Unique 4.58, 5.37 A)
&rst
ixpk= 1311, nxpk= 15, iat=1763,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 GLY HA- 121 GLU HN 5.50 (# 1312:15 Unique 4.48, 5.48 A)
&rst
ixpk= 1312, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1758,1759,
&end
#
# 122 ARG HA 121 GLU HN 5.50 (# 1313:15 Unique 5.25, 5.32 A)
&rst
ixpk= 1313, nxpk= 15, iat=1835,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HA 121 GLU HN 5.50 (# 1314:15 Unique 4.21, 4.37 A)
&rst
ixpk= 1314, nxpk= 15, iat=1782,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 VAL HB 121 GLU HN 5.50 (# 1316:15 Unique 5.22, 5.35 A)
&rst
ixpk= 1316, nxpk= 15, iat=1784,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1317 121 GLU HN 4.50 (# 1317:15 Single Ambig)
&rst
ixpk= 1317, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1840,1841,1786,1787,1788,1790,1791,1792,
&end
#
# 119 VAL MGY 121 GLU HN 5.50 (# 1318:15 Unique 5.31, 6.51 A)
&rst
ixpk= 1318, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1786,1787,1788,1790,1791,1792,
&end
#
# 120 LYS HG- 121 GLU HN 4.50 (# 1319:15 Unique 2.91, 4.20 A)
&rst
ixpk= 1319, nxpk= 15, iat= -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 121 GLU HA 122 ARG HN 4.50 (# 1320:15 Unique 3.56, 3.59 A)
&rst
ixpk= 1320, nxpk= 15, iat=1820,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 VAL HA 122 ARG HN 4.50 (# 1321:15 Unique 3.19, 3.43 A)
&rst
ixpk= 1321, nxpk= 15, iat=1782,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 ARG HD- 122 ARG HN 4.50 (# 1322:15 Unique 2.06, 3.17 A)
&rst
ixpk= 1322, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 0 AMB 15-2:1323 122 ARG HN 4.50 (# 1323:15 Single Ambig)
&rst
ixpk= 1323, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1863,1864,1865,1867,1868,1869,1806,1807,
&end
#
# 125 ASN HN 123 VAL HN 5.50 (# 1325:15 Unique 4.13, 4.19 A)
&rst
ixpk= 1325, nxpk= 15, iat=1888,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1326 123 VAL HN 4.50 (# 1326:15 Single Ambig)
&rst
ixpk= 1326, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1475, 108, 112,
&end
#
# 99 TRP HZ3 123 VAL HN 4.50 (# 1327:15 Unique 3.26, 3.45 A)
&rst
ixpk= 1327, nxpk= 15, iat=1477,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 GLU HA 123 VAL HN 5.50 (# 1328:15 Unique 4.56, 4.69 A)
&rst
ixpk= 1328, nxpk= 15, iat=1820,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 ARG HA 123 VAL HN 4.50 (# 1329:15 Unique 3.56, 3.59 A)
&rst
ixpk= 1329, nxpk= 15, iat=1835,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 VAL HA 123 VAL HN 4.50 (# 1330:15 Unique 3.71, 3.85 A)
&rst
ixpk= 1330, nxpk= 15, iat=1782,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 PHE HB- 123 VAL HN 5.50 (# 1331:15 Unique 5.44, 5.82 A)
&rst
ixpk= 1331, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 332, 333,
&end
#
# 120 LYS HA 123 VAL HN 4.50 (# 1332:15 Unique 3.83, 3.94 A)
&rst
ixpk= 1332, nxpk= 15, iat=1798,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 VAL HB 123 VAL HN 5.50 (# 1333:15 Unique 5.37, 5.51 A)
&rst
ixpk= 1333, nxpk= 15, iat=1784,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1334 123 VAL HN 4.50 (# 1334:15 Single Ambig)
&rst
ixpk= 1334, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1843,1844,1906,1907,
&end
#
# 0 AMB 15-2:1335 123 VAL HN 4.50 (# 1335:15 Single Ambig)
&rst
ixpk= 1335, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1877,1878,1925,
&end
#
# 122 ARG HG+ 123 VAL HN 4.50 (# 1336:15 Unique 4.38, 4.99 A)
&rst
ixpk= 1336, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1840,1841,
&end
#
# 122 ARG HB- 123 VAL HN 4.50 (# 1337:15 Unique 2.45, 3.13 A)
&rst
ixpk= 1337, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1837,1838,
&end
#
# 0 AMB 15-2:1338 124 GLU HN 4.50 (# 1338:15 Single Ambig)
&rst
ixpk= 1338, nxpk= 15, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1863,1864,1865,1867,1868,1869,1806,1807,
&end
#
# 0 AMB 15-2:1339 124 GLU HN 2.80 (# 1339:15 Single Ambig)
&rst
ixpk= 1339, nxpk= 15, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
408, 409,
&end
#
# 126 LEU HN 125 ASN HN 2.80 (# 1341:15 Unique 2.72, 2.75 A)
&rst
ixpk= 1341, nxpk= 15, iat=1902,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 125 ASN HD2+ 125 ASN HN 3.50 (# 1342:15 Unique 2.33, 3.33 A)
&rst
ixpk= 1342, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1897,1898,
&end
#
# 121 GLU HA 125 ASN HN 4.50 (# 1343:15 Unique 3.76, 3.88 A)
&rst
ixpk= 1343, nxpk= 15, iat=1820,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 126 LEU HB+ 125 ASN HN 4.50 (# 1345:15 Unique 4.56, 5.20 A)
&rst
ixpk= 1345, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1906,1907,
&end
#
# 124 GLU HG+ 125 ASN HN 4.50 (# 1346:15 Unique 3.81, 4.37 A)
&rst
ixpk= 1346, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1880,1881,
&end
#
# 0 AMB 15-2:1347 125 ASN HN 4.50 (# 1347:15 Single Ambig)
&rst
ixpk= 1347, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1944,1945,1946,1911,1912,1913,1915,1916,1917,
&end
#
# 0 AMB 15-2:1348 125 ASN HN 5.50 (# 1348:15 Single Ambig)
&rst
ixpk= 1348, nxpk= 15, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1840,1841,1911,1912,1913,1915,1916,1917, 403, 404,
405, 407, 408, 409,
&end
#
# 125 ASN HN 126 LEU HN 3.50 (# 1349:15 Unique 2.72, 2.75 A)
&rst
ixpk= 1349, nxpk= 15, iat=1888,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HD2+ 126 LEU HN 4.50 (# 1350:15 Unique 4.61, 5.41 A)
&rst
ixpk= 1350, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1897,1898,
&end
#
# 99 TRP HZ2 126 LEU HN 4.50 (# 1351:15 Unique 3.65, 3.73 A)
&rst
ixpk= 1351, nxpk= 15, iat=1473,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HH2 126 LEU HN 4.50 (# 1352:15 Unique 3.70, 3.83 A)
&rst
ixpk= 1352, nxpk= 15, iat=1475,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 ARG HA 126 LEU HN 4.50 (# 1353:15 Unique 3.84, 3.94 A)
&rst
ixpk= 1353, nxpk= 15, iat=1835,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1354 126 LEU HN 4.50 (# 1354:15 Single Ambig)
&rst
ixpk= 1354, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1925,1877,1878,
&end
#
# 0 AMB 15-2:1355 126 LEU HN 4.50 (# 1355:15 Single Ambig)
&rst
ixpk= 1355, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1911,1912,1913,1915,1916,1917,1957,1958,
&end
#
# 0 AMB 15-2:1356 126 LEU HN 4.50 (# 1356:15 Single Ambig)
&rst
ixpk= 1356, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1837,1838,1985,1986,1987,
&end
#
# 0 AMB 15-2:1357 126 LEU HN 5.50 (# 1357:15 Single Ambig)
&rst
ixpk= 1357, nxpk= 15, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1407,1408,1409,1927,1928,1929,1400,1401,1402,
&end
#
# 126 LEU HN 127 ILE HN 3.50 (# 1358:15 Unique 2.61, 2.64 A)
&rst
ixpk= 1358, nxpk= 15, iat=1902,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ASN HN 127 ILE HN 5.50 (# 1359:15 Unique 4.05, 4.10 A)
&rst
ixpk= 1359, nxpk= 15, iat=1888,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1362 127 ILE HN 5.50 (# 1362:15 Single Ambig)
&rst
ixpk= 1362, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1475, 108, 112,
&end
#
# 125 ASN HB+ 127 ILE HN 4.50 (# 1363:15 Unique 5.09, 5.20 A)
&rst
ixpk= 1363, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1892,1893,
&end
#
# 0 AMB 15-2:1365 127 ILE HN 4.50 (# 1365:15 Single Ambig)
&rst
ixpk= 1365, nxpk= 15, iat= -1,1921, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1982,1983,1863,1864,1865,1867,1868,1869, 469, 470,
&end
#
# 127 ILE HN 129 LYS HN 4.50 (# 1366:15 Unique 4.10, 4.17 A)
&rst
ixpk= 1366, nxpk= 15, iat=1921,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 128 ALA HN 129 LYS HN 2.80 (# 1367:15 Unique 2.80, 2.83 A)
&rst
ixpk= 1367, nxpk= 15, iat=1940,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 130 ILE HA 129 LYS HN 5.50 (# 1368:15 Unique 5.14, 5.19 A)
&rst
ixpk= 1368, nxpk= 15, iat=1974,1950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 ILE HA 129 LYS HN 4.50 (# 1369:15 Unique 4.04, 4.16 A)
&rst
ixpk= 1369, nxpk= 15, iat=1923,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 LYS HE+ 129 LYS HN 5.50 (# 1370:15 Unique 4.38, 5.02 A)
&rst
ixpk= 1370, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1963,1964,
&end
#
# 126 LEU HB+ 129 LYS HN 5.50 (# 1371:15 Unique 5.31, 5.55 A)
&rst
ixpk= 1371, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1906,1907,
&end
#
# 127 ILE HB 129 LYS HN 5.50 (# 1372:15 Unique 5.09, 5.12 A)
&rst
ixpk= 1372, nxpk= 15, iat=1925,1950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 ILE HG1- 129 LYS HN 4.50 (# 1373:15 Unique 3.73, 4.22 A)
&rst
ixpk= 1373, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1982,1983,
&end
#
# 0 AMB 15-2:1374 129 LYS HN 4.50 (# 1374:15 Single Ambig)
&rst
ixpk= 1374, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1909,1911,1912,1913,1915,1916,1917,1931,1932,
&end
#
# 130 ILE QD1 129 LYS HN 5.50 (# 1375:15 Unique 5.38, 6.26 A)
&rst
ixpk= 1375, nxpk= 15, iat= -1,1950, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1985,1986,1987,
&end
#
# 128 ALA HA 130 ILE HN 4.50 (# 1376:15 Unique 4.52, 4.63 A)
&rst
ixpk= 1376, nxpk= 15, iat=1942,1972, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 131 SER HB- 130 ILE HN 5.50 (# 1377:15 Unique 4.66, 5.54 A)
&rst
ixpk= 1377, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1995,1996,
&end
#
# 129 LYS HD+ 130 ILE HN 4.50 (# 1378:15 Unique 4.56, 5.17 A)
&rst
ixpk= 1378, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1960,1961,
&end
#
# 0 AMB 15-2:1380 130 ILE HN 4.50 (# 1380:15 Single Ambig)
&rst
ixpk= 1380, nxpk= 15, iat= -1,1972, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1909,1931,1932,1911,1912,1913,1915,1916,1917,
&end
#
# 127 ILE HA 131 SER HN 4.50 (# 1382:15 Unique 3.02, 3.20 A)
&rst
ixpk= 1382, nxpk= 15, iat=1923,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1383 131 SER HN 4.50 (# 1383:15 Single Ambig)
&rst
ixpk= 1383, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1931,1932,1909,
&end
#
# 130 ILE QD1 131 SER HN 4.50 (# 1384:15 Unique 4.77, 5.24 A)
&rst
ixpk= 1384, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1985,1986,1987,
&end
#
# 0 AMB 15-2:1385 90 TRP HE1 4.50 (# 1385:15 Single Ambig)
&rst
ixpk= 1385, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1250,1251,1121,1122,1123,1125,1126,1127,
&end
#
# 70 ALA HA 90 TRP HE1 5.50 (# 1386:15 Unique 5.53, 5.63 A)
&rst
ixpk= 1386, nxpk= 15, iat=1034,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 PRO HB+ 90 TRP HE1 4.50 (# 1387:15 Unique 3.47, 4.99 A)
&rst
ixpk= 1387, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1272,1273,
&end
#
# 0 AMB 15-2:1388 90 TRP HE1 4.50 (# 1388:15 Single Ambig)
&rst
ixpk= 1388, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1002,1003,1312,1313,
&end
#
# 87 PRO HD- 90 TRP HE1 4.50 (# 1389:15 Unique 3.15, 4.06 A)
&rst
ixpk= 1389, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1266,1267,
&end
#
# 0 AMB 15-2:1390 90 TRP HE1 5.50 (# 1390:15 Single Ambig)
&rst
ixpk= 1390, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1310, 952,
&end
#
# 70 ALA HN 90 TRP HE1 4.50 (# 1391:15 Unique 3.26, 3.40 A)
&rst
ixpk= 1391, nxpk= 15, iat=1032,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 THR MG2 25 LEU HN 3.50 (# 1392:15 Unique 2.59, 3.58 A)
&rst
ixpk= 1392, nxpk= 15, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 386, 387, 388,
&end
#
# 29 LYS HD- 29 LYS HN 4.50 (# 1393:15 Unique 4.25, 4.68 A)
&rst
ixpk= 1393, nxpk= 15, iat= -1, 437, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 447, 448,
&end
#
# 125 ASN HA 127 ILE HN 4.50 (# 1394:15 Unique 4.41, 4.45 A)
&rst
ixpk= 1394, nxpk= 15, iat=1890,1921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 PRO HA 107 GLN HE2- 4.50 (# 1397:15 Unique 2.47, 4.29 A)
&rst
ixpk= 1397, nxpk= 15, iat=1557, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1592,1593,
&end
#
# 111 VAL MGY 107 GLN HE2- 4.50 (# 1399:15 Unique 2.20, 3.96 A)
&rst
ixpk= 1399, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1592,1593,
&end
#
# 111 VAL MGX 107 GLN HE2+ 4.50 (# 1400:15 Unique 2.20, 3.96 A)
&rst
ixpk= 1400, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1592,1593,
&end
#
# 111 VAL MGY 107 GLN HE2+ 5.50 (# 1401:15 Unique 2.20, 3.96 A)
&rst
ixpk= 1401, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1648,1649,1650,1652,1653,1654,
igr2=1592,1593,
&end
#
# 103 ASP HN 107 GLN HE2- 5.50 (# 1402:15 Unique 3.37, 5.68 A)
&rst
ixpk= 1402, nxpk= 15, iat=1535, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1592,1593,
&end
#
# 0 AMB 15-2:1404 0 AMB 15-1:1404 4.50 (# 1404:15 Double Ambig)
&rst
ixpk= 1404, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1364, 330,
igr2=1374,1375, 380,
&end
#
# 26 GLY HN 24 THR HN 4.50 (# 1405:15 Unique 4.08, 4.18 A)
&rst
ixpk= 1405, nxpk= 15, iat= 413, 380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 ALA HA 24 THR HN 5.50 (# 1407:15 Unique 4.06, 4.27 A)
&rst
ixpk= 1407, nxpk= 15, iat= 350, 380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 GLN HG+ 93 GLN HE2+ 4.50 (# 1408:15 Unique 2.21, 3.27 A)
&rst
ixpk= 1408, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1369,1370,
igr2=1374,1375,
&end
#
# 0 AMB 15-2:1409 24 THR HN 4.50 (# 1409:15 Single Ambig)
&rst
ixpk= 1409, nxpk= 15, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
1868,1869, 403, 404, 405, 407, 408, 409,
&end
#
# 0 AMB 15-2:1410 0 AMB 15-1:1410 4.50 (# 1410:15 Double Ambig)
&rst
ixpk= 1410, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 424, 425, 426,1336,
igr2= 380,1374,1375,
&end
#
# 23 LYS HB- 24 THR HN 4.50 (# 1411:15 Unique 3.99, 4.13 A)
&rst
ixpk= 1411, nxpk= 15, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 362, 363,
&end
#
# 69 ASN HA 69 ASN HD2- 4.50 (# 1412:15 Unique 3.68, 4.39 A)
&rst
ixpk= 1412, nxpk= 15, iat=1020, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1027,1028,
&end
#
# 0 AMB 15-2:1413 69 ASN HD2- 5.50 (# 1413:15 Single Ambig)
&rst
ixpk= 1413, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1056,1044,
igr2=1027,1028,
&end
#
# 71 ASP HB+ 69 ASN HD2- 4.50 (# 1414:15 Unique 2.24, 5.21 A)
&rst
ixpk= 1414, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1046,1047,
igr2=1027,1028,
&end
#
# 85 ASN HA 85 ASN HD2- 4.50 (# 1415:15 Unique 2.44, 3.78 A)
&rst
ixpk= 1415, nxpk= 15, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1241,1242,
&end
#
# 85 ASN HN 85 ASN HD2- 5.50 (# 1416:15 Unique 3.73, 4.84 A)
&rst
ixpk= 1416, nxpk= 15, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1241,1242,
&end
#
# 125 ASN HA 125 ASN HD2+ 4.50 (# 1418:15 Unique 3.24, 3.60 A)
&rst
ixpk= 1418, nxpk= 15, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1897,1898,
&end
#
# 121 GLU HG- 125 ASN HD2+ 4.50 (# 1419:15 Unique 3.34, 5.72 A)
&rst
ixpk= 1419, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1825,1826,
igr2=1897,1898,
&end
#
# 0 AMB 15-2:1420 0 AMB 15-1:1420 4.50 (# 1420:15 Double Ambig)
&rst
ixpk= 1420, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1825,1826,1880,1881,
igr2=1897,1898,1897,1898,
&end
#
# 125 ASN HA 125 ASN HD2- 5.50 (# 1421:15 Unique 3.24, 3.60 A)
&rst
ixpk= 1421, nxpk= 15, iat=1890, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1897,1898,
&end
#
# 125 ASN HN 125 ASN HD2- 4.50 (# 1422:15 Unique 2.33, 3.33 A)
&rst
ixpk= 1422, nxpk= 15, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1897,1898,
&end
#
# 122 ARG HA 125 ASN HD2- 5.50 (# 1423:15 Unique 3.00, 4.06 A)
&rst
ixpk= 1423, nxpk= 15, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1897,1898,
&end
#
# 121 GLU HG- 125 ASN HD2- 4.50 (# 1424:15 Unique 3.34, 5.72 A)
&rst
ixpk= 1424, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1825,1826,
igr2=1897,1898,
&end
#
# 100 GLN HA 100 GLN HE2+ 4.50 (# 1425:15 Unique 2.41, 4.24 A)
&rst
ixpk= 1425, nxpk= 15, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1496,1497,
&end
#
# 100 GLN HB+ 100 GLN HE2+ 4.50 (# 1429:15 Unique 2.14, 4.16 A)
&rst
ixpk= 1429, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1488,1489,
igr2=1496,1497,
&end
#
# 105 ASP HA 11 ASN HD2+ 4.50 (# 1431:15 Unique 3.75, 5.12 A)
&rst
ixpk= 1431, nxpk= 15, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 200, 201,
&end
#
# 44 PRO HD+ 11 ASN HD2+ 5.50 (# 1432:15 Unique 5.16, 7.26 A)
&rst
ixpk= 1432, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 661, 662,
igr2= 200, 201,
&end
#
# 64 PRO HG+ 67 ASN HD2- 4.50 (# 1434:15 Unique 2.73, 5.34 A)
&rst
ixpk= 1434, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 940, 941,
igr2= 993, 994,
&end
#
# 118 GLN HB- 118 GLN HE2+ 4.50 (# 1436:15 Unique 2.87, 4.46 A)
&rst
ixpk= 1436, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1767,1768,
igr2=1775,1776,
&end
#
# 114 THR MG2 118 GLN HE2+ 2.80 (# 1437:15 Unique 2.23, 3.81 A)
&rst
ixpk= 1437, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1708,1709,1710,
igr2=1775,1776,
&end
#
# 101 LEU MDX 118 GLN HE2+ 4.50 (# 1438:15 Unique 3.50, 7.30 A)
&rst
ixpk= 1438, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1510,1511,1512,1514,1515,1516,
igr2=1775,1776,
&end
#
# 71 ASP HN 73 TYR HN 4.50 (# 1439:15 Unique 4.16, 4.22 A)
&rst
ixpk= 1439, nxpk= 15, iat=1042,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 GLN HG+ 100 GLN HN 4.50 (# 1441:15 Unique 1.87, 3.43 A)
&rst
ixpk= 1441, nxpk= 15, iat= -1,1484, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1491,1492,
&end
#
# 99 TRP HB- 100 GLN HN 5.50 (# 1442:15 Unique 3.45, 4.12 A)
&rst
ixpk= 1442, nxpk= 15, iat= -1,1484, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1464,1465,
&end
#
# 99 TRP HD1 100 GLN HN 4.50 (# 1443:15 Unique 4.27, 4.46 A)
&rst
ixpk= 1443, nxpk= 15, iat=1468,1484, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HZ2 99 TRP HE1 3.50 (# 1444:15 Unique 2.87, 2.91 A)
&rst
ixpk= 1444, nxpk= 15, iat=1473,1470, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HG+ 99 TRP HE1 4.50 (# 1445:15 Unique 2.44, 3.97 A)
&rst
ixpk= 1445, nxpk= 15, iat= -1,1470, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1440,1441,
&end
#
# 0 AMB 15-2:1446 99 TRP HE1 5.50 (# 1446:15 Single Ambig)
&rst
ixpk= 1446, nxpk= 15, iat= -1,1470, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1840,1841,1911,1912,1913,1915,1916,1917,
&end
#
# 0 AMB 15-2:1447 99 TRP HE1 5.50 (# 1447:15 Single Ambig)
&rst
ixpk= 1447, nxpk= 15, iat= -1,1470, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1400,1401,1402,1407,1408,1409,
&end
#
# 77 ILE QD1 99 TRP HE1 4.50 (# 1448:15 Unique 2.80, 3.74 A)
&rst
ixpk= 1448, nxpk= 15, iat= -1,1470, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1144,1145,1146,
&end
#
# 77 ILE QG2 99 TRP HE1 4.50 (# 1449:15 Unique 3.62, 4.80 A)
&rst
ixpk= 1449, nxpk= 15, iat= -1,1470, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1137,1138,1139,
&end
#
# 0 AMB 15-2:1450 70 ALA HN 5.50 (# 1450:15 Single Ambig)
&rst
ixpk= 1450, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1044,1056,
&end
#
# 71 ASP HB- 70 ALA HN 5.50 (# 1451:15 Unique 4.48, 5.09 A)
&rst
ixpk= 1451, nxpk= 15, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1046,1047,
&end
#
# 96 PHE HB+ 76 VAL HN 5.50 (# 1453:15 Unique 4.05, 4.81 A)
&rst
ixpk= 1453, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1417,1418,
&end
#
# 4 VAL MGX 76 VAL HN 5.50 (# 1454:15 Unique 4.49, 6.28 A)
&rst
ixpk= 1454, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 71, 72, 73, 75, 76, 77,
&end
#
# 20 GLY HA+ 56 ASP HN 5.50 (# 1458:15 Unique 5.11, 5.55 A)
&rst
ixpk= 1458, nxpk= 15, iat= -1, 833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 323, 324,
&end
#
# 100 GLN HA 100 GLN HN 4.50 (# 1459:15 Unique 2.82, 2.88 A)
&rst
ixpk= 1459, nxpk= 15, iat=1486,1484, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 TRP HB+ 100 GLN HN 4.50 (# 1460:15 Unique 3.45, 4.12 A)
&rst
ixpk= 1460, nxpk= 15, iat= -1,1484, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1464,1465,
&end
#
# 4 VAL HB 5 MET HN 3.50 (# 1461:15 Unique 3.58, 3.62 A)
&rst
ixpk= 1461, nxpk= 15, iat= 69, 81, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1463 102 GLU HN 5.50 (# 1463:15 Single Ambig)
&rst
ixpk= 1463, nxpk= 15, iat= -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1548,1549,1765,
&end
#
# 6 PHE HD 33 THR HN 5.50 (# 1465:15 Unique 2.93, 5.27 A)
&rst
ixpk= 1465, nxpk= 15, iat= -1, 504, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 106, 114,
&end
#
# 0 AMB 15-2:1466 8 CYS HN 5.50 (# 1466:15 Single Ambig)
&rst
ixpk= 1466, nxpk= 15, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 551, 552, 554, 266, 267,
&end
#
# 23 LYS HA 32 VAL HN 5.50 (# 1468:15 Unique 4.29, 5.02 A)
&rst
ixpk= 1468, nxpk= 15, iat= 360, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 VAL MGY 8 CYS HN 4.50 (# 1469:15 Unique 2.31, 4.42 A)
&rst
ixpk= 1469, nxpk= 15, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 36 GLY HA+ 8 CYS HN 5.50 (# 1470:15 Unique 2.41, 3.94 A)
&rst
ixpk= 1470, nxpk= 15, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 118 GLN HE2+ 118 GLN HN 5.50 (# 1471:15 Unique 3.45, 5.26 A)
&rst
ixpk= 1471, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1775,1776,
&end
#
# 116 ARG HG+ 118 GLN HN 5.50 (# 1472:15 Unique 4.77, 5.22 A)
&rst
ixpk= 1472, nxpk= 15, iat= -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1739,1740,
&end
#
# 0 AMB 15-2:1473 111 VAL HN 3.50 (# 1473:15 Single Ambig)
&rst
ixpk= 1473, nxpk= 15, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1584,1585,1634,1635,
&end
#
# 22 ALA MB 123 VAL HN 5.50 (# 1474:15 Unique 6.02, 7.12 A)
&rst
ixpk= 1474, nxpk= 15, iat= -1,1857, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 352, 353, 354,
&end
#
# 0 AMB 15-2:1475 109 LEU HN 4.50 (# 1475:15 Single Ambig)
&rst
ixpk= 1475, nxpk= 15, iat= -1,1608, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1631,1632,1584,1585,
&end
#
# 118 GLN HA 122 ARG HN 5.50 (# 1477:15 Unique 4.07, 5.05 A)
&rst
ixpk= 1477, nxpk= 15, iat=1765,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1478 122 ARG HN 5.50 (# 1478:15 Single Ambig)
&rst
ixpk= 1478, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1798,1770,1771,
&end
#
# 0 AMB 15-2:1479 122 ARG HN 5.50 (# 1479:15 Single Ambig)
&rst
ixpk= 1479, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1477,1468,
&end
#
# 71 ASP HB- 73 TYR HN 5.50 (# 1480:15 Unique 4.95, 5.31 A)
&rst
ixpk= 1480, nxpk= 15, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1046,1047,
&end
#
# 90 TRP HA 93 GLN HE2+ 4.50 (# 1492:15 Unique 3.12, 3.92 A)
&rst
ixpk= 1492, nxpk= 15, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1374,1375,
&end
#
# 55 ILE QD1 24 THR HN 5.50 (# 1493:15 Unique 4.57, 5.45 A)
&rst
ixpk= 1493, nxpk= 15, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 827, 828, 829,
&end
#
# 55 ILE QG2 24 THR HN 5.50 (# 1494:15 Unique 5.90, 6.81 A)
&rst
ixpk= 1494, nxpk= 15, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 820, 821, 822,
&end
#
# 93 GLN HB- 93 GLN HE2+ 3.50 (# 1495:15 Unique 4.21, 4.62 A)
&rst
ixpk= 1495, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1366,1367,
igr2=1374,1375,
&end
#
# 89 GLU HB+ 93 GLN HE2- 4.50 (# 1496:15 Unique 4.15, 5.05 A)
&rst
ixpk= 1496, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1297,1298,
igr2=1374,1375,
&end
#
# 76 VAL MGX 93 GLN HE2- 5.50 (# 1497:15 Unique 3.87, 5.95 A)
&rst
ixpk= 1497, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1121,1122,1123,1125,1126,1127,
igr2=1374,1375,
&end
#
# 89 GLU HA 93 GLN HE2- 5.50 (# 1498:15 Unique 3.96, 4.72 A)
&rst
ixpk= 1498, nxpk= 15, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1374,1375,
&end
#
# 90 TRP HA 93 GLN HE2- 4.50 (# 1499:15 Unique 3.12, 3.92 A)
&rst
ixpk= 1499, nxpk= 15, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1374,1375,
&end
#
# 93 GLN HA 93 GLN HE2- 4.50 (# 1500:15 Unique 3.22, 3.59 A)
&rst
ixpk= 1500, nxpk= 15, iat=1364, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1374,1375,
&end
#
# 93 GLN HN 93 GLN HE2- 5.50 (# 1501:15 Unique 2.16, 3.28 A)
&rst
ixpk= 1501, nxpk= 15, iat=1362, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1374,1375,
&end
#
# 0 AMB 15-2:1502 93 GLN HE2- 5.50 (# 1502:15 Single Ambig)
&rst
ixpk= 1502, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1379,1032,
igr2=1374,1375,
&end
#
# 85 ASN HN 85 ASN HD2+ 5.50 (# 1506:15 Unique 3.73, 4.84 A)
&rst
ixpk= 1506, nxpk= 15, iat=1232, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1241,1242,
&end
#
# 85 ASN HA 85 ASN HD2+ 5.50 (# 1507:15 Unique 2.44, 3.78 A)
&rst
ixpk= 1507, nxpk= 15, iat=1234, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1241,1242,
&end
#
# 84 VAL HA 85 ASN HD2+ 5.50 (# 1508:15 Unique 5.57, 6.52 A)
&rst
ixpk= 1508, nxpk= 15, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1241,1242,
&end
#
# 90 TRP HN 90 TRP HE1 5.50 (# 1511:15 Unique 4.28, 4.52 A)
&rst
ixpk= 1511, nxpk= 15, iat=1308,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HH2 90 TRP HE1 5.50 (# 1512:15 Unique 5.02, 5.04 A)
&rst
ixpk= 1512, nxpk= 15, iat=1323,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ASN HA 90 TRP HE1 5.50 (# 1513:15 Unique 4.14, 4.38 A)
&rst
ixpk= 1513, nxpk= 15, iat=1020,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1514 90 TRP HE1 5.50 (# 1514:15 Single Ambig)
&rst
ixpk= 1514, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 971,1248,
&end
#
# 87 PRO HD+ 90 TRP HE1 5.50 (# 1515:15 Unique 3.15, 4.06 A)
&rst
ixpk= 1515, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1266,1267,
&end
#
# 89 GLU HB- 90 TRP HE1 5.50 (# 1516:15 Unique 2.96, 4.05 A)
&rst
ixpk= 1516, nxpk= 15, iat= -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1297,1298,
&end
#
# 27 ALA HN 25 LEU HN 5.50 (# 1517:15 Unique 4.01, 4.20 A)
&rst
ixpk= 1517, nxpk= 15, iat= 420, 394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 TRP HA 71 ASP HN 5.50 (# 1518:15 Unique 4.80, 5.00 A)
&rst
ixpk= 1518, nxpk= 15, iat=1310,1042, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1522 27 ALA HN 4.50 (# 1522:15 Single Ambig)
&rst
ixpk= 1522, nxpk= 15, iat= -1, 420, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 403, 404, 405, 407, 408, 409, 494, 495, 496, 498,
499, 500,
&end
#
# 0 AMB 15-2:1523 36 GLY HN 5.50 (# 1523:15 Single Ambig)
&rst
ixpk= 1523, nxpk= 15, iat= -1, 540, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 138, 139,1002,1003,
&end
#
# 49 MET HB- 50 MET HN 5.50 (# 1525:15 Unique 2.73, 3.40 A)
&rst
ixpk= 1525, nxpk= 15, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 94 GLU HN 75 VAL HN 5.50 (# 1528:15 Unique 4.59, 4.77 A)
&rst
ixpk= 1528, nxpk= 15, iat=1379,1099, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 LYS HE+ 131 SER HN 5.50 (# 1531:15 Unique 3.88, 5.21 A)
&rst
ixpk= 1531, nxpk= 15, iat= -1,1991, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 34, 35,
&end
#
# 128 ALA MB 125 ASN HD2- 5.50 (# 1535:15 Unique 5.84, 6.57 A)
&rst
ixpk= 1535, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1944,1945,1946,
igr2=1897,1898,
&end
#
# 122 ARG HG- 125 ASN HD2- 5.50 (# 1536:15 Unique 4.41, 6.22 A)
&rst
ixpk= 1536, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1840,1841,
igr2=1897,1898,
&end
#
# 122 ARG HB- 125 ASN HD2- 5.50 (# 1537:15 Unique 5.44, 6.65 A)
&rst
ixpk= 1537, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1837,1838,
igr2=1897,1898,
&end
#
# 100 GLN HA 100 GLN HE2- 4.50 (# 1538:15 Unique 2.41, 4.24 A)
&rst
ixpk= 1538, nxpk= 15, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1496,1497,
&end
#
# 100 GLN HG+ 100 GLN HE2- 4.50 (# 1539:15 Unique 2.22, 3.42 A)
&rst
ixpk= 1539, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1491,1492,
igr2=1496,1497,
&end
#
# 0 AMB 15-2:1540 100 GLN HE2- 4.50 (# 1540:15 Single Ambig)
&rst
ixpk= 1540, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1491,1492,1165,1166,
igr2=1496,1497,
&end
#
# 122 ARG HG- 125 ASN HD2+ 5.50 (# 1543:15 Unique 4.41, 6.22 A)
&rst
ixpk= 1543, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1840,1841,
igr2=1897,1898,
&end
#
# 122 ARG HB- 125 ASN HD2+ 5.50 (# 1544:15 Unique 5.44, 6.65 A)
&rst
ixpk= 1544, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1837,1838,
igr2=1897,1898,
&end
#
# 125 ASN HN 125 ASN HD2+ 4.50 (# 1545:15 Unique 2.33, 3.33 A)
&rst
ixpk= 1545, nxpk= 15, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1897,1898,
&end
#
# 126 LEU HN 125 ASN HD2+ 5.50 (# 1546:15 Unique 4.61, 5.41 A)
&rst
ixpk= 1546, nxpk= 15, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1897,1898,
&end
#
# 68 PHE HD 67 ASN HD2+ 3.50 (# 1552:15 Unique 2.48, 4.31 A)
&rst
ixpk= 1552, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1006,1014,
igr2= 993, 994,
&end
#
# 67 ASN HA 67 ASN HD2- 5.50 (# 1553:15 Unique 4.13, 4.64 A)
&rst
ixpk= 1553, nxpk= 15, iat= 986, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 993, 994,
&end
#
# 64 PRO HD+ 67 ASN HD2+ 4.50 (# 1554:15 Unique 2.25, 4.31 A)
&rst
ixpk= 1554, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 937, 938,
igr2= 993, 994,
&end
#
# 64 PRO HB- 67 ASN HD2+ 5.50 (# 1555:15 Unique 3.51, 5.39 A)
&rst
ixpk= 1555, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 943, 944,
igr2= 993, 994,
&end
#
# 71 ASP HB+ 69 ASN HD2+ 4.50 (# 1557:15 Unique 2.24, 5.21 A)
&rst
ixpk= 1557, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1046,1047,
igr2=1027,1028,
&end
#
# 69 ASN HA 69 ASN HD2+ 4.50 (# 1558:15 Unique 3.68, 4.39 A)
&rst
ixpk= 1558, nxpk= 15, iat=1020, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1027,1028,
&end
#
# 69 ASN HN 69 ASN HD2- 5.50 (# 1559:15 Unique 2.96, 3.87 A)
&rst
ixpk= 1559, nxpk= 15, iat=1018, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1027,1028,
&end
#
# 69 ASN HN 69 ASN HD2+ 5.50 (# 1560:15 Unique 2.96, 3.87 A)
&rst
ixpk= 1560, nxpk= 15, iat=1018, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1027,1028,
&end
#
# 102 GLU HB- 107 GLN HE2- 4.50 (# 1562:15 Unique 4.08, 6.04 A)
&rst
ixpk= 1562, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1524,1525,
igr2=1592,1593,
&end
#
# 114 THR MG2 118 GLN HE2- 4.50 (# 1564:15 Unique 2.23, 3.81 A)
&rst
ixpk= 1564, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1708,1709,1710,
igr2=1775,1776,
&end
#
# 118 GLN HG- 118 GLN HE2- 4.50 (# 1565:15 Unique 2.21, 3.23 A)
&rst
ixpk= 1565, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1770,1771,
igr2=1775,1776,
&end
#
# 118 GLN HG+ 118 GLN HE2- 4.50 (# 1566:15 Unique 2.21, 3.23 A)
&rst
ixpk= 1566, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1770,1771,
igr2=1775,1776,
&end
#
# 84 VAL HA 85 ASN HD2- 5.50 (# 1567:15 Unique 5.57, 6.52 A)
&rst
ixpk= 1567, nxpk= 15, iat=1218, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1241,1242,
&end
#
# 0 AMB 15-2:1577 0 AMB 15-1:1577 4.50 (# 1577:15 Double Ambig)
&rst
ixpk= 1577, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 633, 634, 635, 637, 638, 639, 556, 557, 558, 560,
561, 562,
igr2= 274, 275, 274, 275,
&end
#
# 42 VAL MGY 16 GLN HE2- 5.50 (# 1578:15 Unique 2.02, 6.20 A)
&rst
ixpk= 1578, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 633, 634, 635, 637, 638, 639,
igr2= 274, 275,
&end
#
# 31 ALA HA 1 MET HN 5.50 (# 1585:15 Unique 4.72, 5.52 A)
&rst
ixpk= 1585, nxpk= 15, iat= 480, 2, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 SER HN 16 GLN HN 5.50 (# 1587:15 Unique 2.14, 2.49 A)
&rst
ixpk= 1587, nxpk= 15, iat= 251, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 MET HA 16 GLN HN 5.50 (# 1588:15 Unique 5.16, 5.27 A)
&rst
ixpk= 1588, nxpk= 15, iat= 281, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1589 16 GLN HN 5.50 (# 1589:15 Single Ambig)
&rst
ixpk= 1589, nxpk= 15, iat= -1, 262, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 255, 256, 264,
&end
#
# 99 TRP HN 100 GLN HN 5.50 (# 1594:15 Unique 3.57, 4.11 A)
&rst
ixpk= 1594, nxpk= 15, iat=1460,1484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 GLN HG+ 93 GLN HN 3.50 (# 1595:15 Unique 1.88, 2.98 A)
&rst
ixpk= 1595, nxpk= 15, iat= -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1369,1370,
&end
#
# 14 ARG HN 15 SER HN 4.50 (# 1596:15 Unique 1.73, 2.56 A)
&rst
ixpk= 1596, nxpk= 15, iat= 227, 251, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 ARG HD+ 113 ARG HN 4.50 (# 1598:15 Unique 3.17, 4.38 A)
&rst
ixpk= 1598, nxpk= 15, iat= -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1688,1689,
&end
#
# 0 AMB 15-2:1599 122 ARG HN 5.50 (# 1599:15 Single Ambig)
&rst
ixpk= 1599, nxpk= 15, iat= -1,1833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1859,1758,1759,
&end
#
# 84 VAL MGY 85 ASN HD2- 5.50 (# 1600:15 Unique 4.87, 7.99 A)
&rst
ixpk= 1600, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1222,1223,1224,1226,1227,1228,
igr2=1241,1242,
&end
#
# 57 ILE QG2 60 GLN HE2- 5.50 (# 1603:15 Unique 2.51, 4.28 A)
&rst
ixpk= 1603, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 851, 852, 853,
igr2= 894, 895,
&end
#
# 19 GLU HB+ 60 GLN HE2- 4.50 (# 1604:15 Unique 1.88, 3.20 A)
&rst
ixpk= 1604, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 310, 311,
igr2= 894, 895,
&end
#
# 0 AMB 15-2:1605 60 GLN HE2- 5.50 (# 1605:15 Single Ambig)
&rst
ixpk= 1605, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 362, 363, 492,
igr2= 894, 895,
&end
#
# 60 GLN HB+ 60 GLN HE2- 4.50 (# 1607:15 Unique 1.92, 3.51 A)
&rst
ixpk= 1607, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 886, 887,
igr2= 894, 895,
&end
#
# 20 GLY HN 60 GLN HE2- 4.50 (# 1610:15 Unique 2.62, 4.20 A)
&rst
ixpk= 1610, nxpk= 15, iat= 321, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 894, 895,
&end
#
# 20 GLY HN 60 GLN HE2+ 4.50 (# 1612:15 Unique 2.62, 4.20 A)
&rst
ixpk= 1612, nxpk= 15, iat= 321, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 894, 895,
&end
#
# 99 TRP HD1 99 TRP HN 5.50 (# 1613:15 Unique 3.30, 3.73 A)
&rst
ixpk= 1613, nxpk= 15, iat=1468,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1614 17 MET HN 5.50 (# 1614:15 Single Ambig)
&rst
ixpk= 1614, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 264, 255, 256,
&end
#
# 0 AMB 15-2:1615 17 MET HN 4.50 (# 1615:15 Single Ambig)
&rst
ixpk= 1615, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 281, 229, 253,
&end
#
# 17 MET HG+ 17 MET HN 4.50 (# 1616:15 Unique 4.09, 4.44 A)
&rst
ixpk= 1616, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 286, 287,
&end
#
# 16 GLN HN 17 MET HN 5.50 (# 1617:15 Unique 2.49, 2.63 A)
&rst
ixpk= 1617, nxpk= 15, iat= 262, 279, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ALA HN 17 MET HN 4.50 (# 1618:15 Unique 2.50, 2.69 A)
&rst
ixpk= 1618, nxpk= 15, iat= 296, 279, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 MET HB+ 17 MET HN 3.50 (# 1619:15 Unique 2.21, 2.54 A)
&rst
ixpk= 1619, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 283, 284,
&end
#
# 17 MET HB- 17 MET HN 3.50 (# 1620:15 Unique 2.21, 2.54 A)
&rst
ixpk= 1620, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 283, 284,
&end
#
# 57 ILE QD1 17 MET HN 5.50 (# 1621:15 Unique 3.25, 4.57 A)
&rst
ixpk= 1621, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 858, 859, 860,
&end
#
# 16 GLN HB+ 17 MET HN 5.50 (# 1622:15 Unique 2.70, 3.79 A)
&rst
ixpk= 1622, nxpk= 15, iat= -1, 279, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 266, 267,
&end
#
# 8 CYS HB+ 8 CYS HN 5.50 (# 1624:15 Unique 2.18, 3.03 A)
&rst
ixpk= 1624, nxpk= 15, iat= -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 138, 139,
&end
#
# 0 AMB 15-2:1625 15 SER HN 5.50 (# 1625:15 Single Ambig)
&rst
ixpk= 1625, nxpk= 15, iat= -1, 251, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 255, 256, 138, 139,
&end
#
# 36 GLY HA+ 37 LEU HN 4.50 (# 1626:15 Unique 2.21, 3.02 A)
&rst
ixpk= 1626, nxpk= 15, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 542, 543,
&end
#
# 36 GLY HA- 37 LEU HN 4.50 (# 1627:15 Unique 2.21, 3.02 A)
&rst
ixpk= 1627, nxpk= 15, iat= -1, 547, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 542, 543,
&end
#
# 62 SER HB+ 62 SER HN 3.50 (# 1628:15 Unique 2.21, 3.51 A)
&rst
ixpk= 1628, nxpk= 15, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 917, 918,
&end
#
# 67 ASN HD2+ 68 PHE HN 5.50 (# 1629:15 Unique 3.12, 3.98 A)
&rst
ixpk= 1629, nxpk= 15, iat= -1, 998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 993, 994,
&end
#
# 38 GLU HG- 39 SER HN 5.50 (# 1632:15 Unique 1.86, 4.34 A)
&rst
ixpk= 1632, nxpk= 15, iat= -1, 581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 573, 574,
&end
#
# 56 ASP HB- 57 ILE HN 5.50 (# 1634:15 Unique 2.42, 4.24 A)
&rst
ixpk= 1634, nxpk= 15, iat= -1, 845, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 837, 838,
&end
#
# 56 ASP HB+ 58 SER HN 5.50 (# 1635:15 Unique 3.49, 4.54 A)
&rst
ixpk= 1635, nxpk= 15, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 837, 838,
&end
#
# 63 ASP HN 62 SER HN 5.50 (# 1639:15 Unique 1.78, 2.84 A)
&rst
ixpk= 1639, nxpk= 15, iat= 924, 913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1640 67 ASN HN 5.50 (# 1640:15 Single Ambig)
&rst
ixpk= 1640, nxpk= 15, iat= -1, 984, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 956, 957, 958, 960, 961,
&end
#
# 65 ILE HA 68 PHE HN 3.50 (# 1641:15 Unique 3.56, 3.70 A)
&rst
ixpk= 1641, nxpk= 15, iat= 952, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 ALA MB 92 THR HN 5.50 (# 1642:15 Unique 5.24, 6.09 A)
&rst
ixpk= 1642, nxpk= 15, iat= -1,1348, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1036,1037,1038,
&end
#
# 86 LEU HA 85 ASN HN 5.50 (# 1650:15 Unique 4.59, 5.01 A)
&rst
ixpk= 1650, nxpk= 15, iat=1248,1232, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 GLN HB+ 100 GLN HE2- 5.50 (# 1655:15 Unique 2.14, 4.16 A)
&rst
ixpk= 1655, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1488,1489,
igr2=1496,1497,
&end
#
# 125 ASN HA 128 ALA HN 3.50 (# 212:15 Double Ambig)
&rst
ixpk= 212, nxpk= 15, iat=1890,1940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:219 124 GLU HN 2.80 (# 219:15 Double Ambig)
&rst
ixpk= 219, nxpk= 15, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1875,1859,
&end
#
# 124 GLU HG+ 124 GLU HN 4.50 (# 220:15 Double Ambig )
&rst
ixpk= 220, nxpk= 15, iat= -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1880,1881,
&end
#
# 81 GLY HA+ 82 CYS HN 2.80 (# 351:15 Unique 2.84, 3.25 A)
&rst
ixpk= 351, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1193,1194,
&end
#
# 110 GLU HB- 110 GLU HN 2.80 (# 364:15 Unique 2.08, 2.60 A)
&rst
ixpk= 364, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1631,1632,
&end
#
# 111 VAL HN 110 GLU HN 2.80 (# 578:15 Double Ambig)
&rst
ixpk= 578, nxpk= 15, iat=1642,1627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:795 128 ALA HN 4.50 (# 795:15 Single Ambig)
&rst
ixpk= 795, nxpk= 15, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1875,1995,1996,
&end
#
# 109 LEU MDY 110 GLU HN 4.50 (# 1243:15 Double Ambig)
&rst
ixpk= 1243, nxpk= 15, iat= -1,1627, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 85 ASN HB+ 85 ASN HD2- 4.50 (# 1417:15 Double Ambig)
&rst
ixpk= 1417, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1236,1237,
igr2=1241,1242,
&end
#
# 0 AMB 15-2:1526 50 MET HN 5.50 (# 1526:15 Double Ambig)
&rst
ixpk= 1526, nxpk= 15, iat= -1, 744, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 855, 856, 797, 798, 799, 801, 802, 803,
&end
#
# 71 ASP HB- 69 ASN HD2+ 4.50 (# 1556:15 Unique 2.24, 5.21 A)
&rst
ixpk= 1556, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1046,1047,
igr2=1027,1028,
&end
#
# 60 GLN HN 58 SER HN 5.50 (# 1636:15 Unique 3.87, 4.43 A)
&rst
ixpk= 1636, nxpk= 15, iat= 882, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 LEU MDX 79 LEU HN 5.50 (# 1656:15 Unique 2.68, 5.11 A)
&rst
ixpk= 1656, nxpk= 15, iat= -1,1161, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 33 THR MG2 6 PHE HN 5.50 (# 660:15 Single Ambig)
&rst
ixpk= 660, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 510, 511, 512,
&end
#
# 76 VAL MGY 6 PHE HN 5.50 (# 1657:15 Single Ambig)
&rst
ixpk= 1657, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1121,1122,1123,1125,1126,1127,
&end
#
# 6 PHE HB+ 6 PHE HN 3.50 (# 1658:15 Unique 2.46, 3.12 A)
&rst
ixpk= 1658, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 102, 103,
&end
#
# 34 SER HB+ 6 PHE HN 5.50 (# 657:15 Single Ambig)
&rst
ixpk= 657, nxpk= 15, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 522, 523,
&end
#
# 33 THR HB 6 PHE HN 5.50 (# 1659:15 Single Ambig)
&rst
ixpk= 1659, nxpk= 15, iat= 508, 98, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 CYS HN 8 CYS HN 3.50 (# 614:15 Double Ambig)
&rst
ixpk= 614, nxpk= 15, iat= 529, 134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 CYS HN 35 CYS HN 5.50 (# 776:15 Single Ambig)
&rst
ixpk= 776, nxpk= 15, iat= 134, 529, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 SER HN 35 CYS HN 5.50 (# 1660:15 Single Ambig)
&rst
ixpk= 1660, nxpk= 15, iat= 518, 529, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ARG HG+ 41 ARG HN 5.50 (# 1661:15 Unique 2.17, 3.45 A)
&rst
ixpk= 1661, nxpk= 15, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 610, 611,
&end
#
# 41 ARG HA 41 ARG HN 5.50 (# 828:15 Unique 2.17, 3.45 A)
&rst
ixpk= 828, nxpk= 15, iat= 605, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ARG HB+ 42 VAL HN 3.50 (# 86:15 Single Ambig)
&rst
ixpk= 86, nxpk= 15, iat= -1, 627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 607, 608,
&end
#
# 42 VAL HB 42 VAL HN 3.50 (# 1662:15 Single Ambig)
&rst
ixpk= 1662, nxpk= 15, iat= 631, 627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 VAL MGY 42 VAL HN 3.50 (# 87:15 Single Ambig)
&rst
ixpk= 87, nxpk= 15, iat= -1, 627, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 633, 634, 635, 637, 638, 639,
&end
#
# 37 LEU MDX 42 VAL HN 3.50 (# 1663:15 Single Ambig)
&rst
ixpk= 1663, nxpk= 15, iat= -1, 627, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 556, 557, 558, 560, 561, 562,
&end
#
# 58 SER HB- 58 SER HN 3.50 (# 939:15 Double Ambig)
&rst
ixpk= 939, nxpk= 15, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 868, 869,
&end
#
# 62 SER HB- 62 SER HN 3.50 (# 1664:15 Double Ambig)
&rst
ixpk= 1664, nxpk= 15, iat= -1, 913, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 917, 918,
&end
#
# 60 GLN HG+ 58 SER HN 4.50 (# 940:15 Double Ambig)
&rst
ixpk= 940, nxpk= 15, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 889, 890,
&end
#
# 57 ILE HB 58 SER HN 4.50 (# 1665:15 Double Ambig)
&rst
ixpk= 1665, nxpk= 15, iat= 849, 864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 SER HN 60 GLN HN 4.50 (# 1637:15 Single Ambig)
&rst
ixpk= 1637, nxpk= 15, iat= 864, 882, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 ILE HN 60 GLN HN 5.50 (# 1666:15 Single Ambig)
&rst
ixpk= 1666, nxpk= 15, iat= 845, 882, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 GLN HE2- 61 THR HN 5.50 (# 1638:15 Single Ambig)
&rst
ixpk= 1638, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 894, 895,
&end
#
# 60 GLN HE2+ 61 THR HN 5.50 (# 1668:15 Single Ambig)
&rst
ixpk= 1668, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 894, 895,
&end
#
# 37 LEU MDX 61 THR HN 4.50 (# 963:15 Single Ambig)
&rst
ixpk= 963, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 556, 557, 558, 560, 561, 562,
&end
#
# 42 VAL MGY 61 THR HN 4.50 (# 1669:15 Single Ambig)
&rst
ixpk= 1669, nxpk= 15, iat= -1, 899, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 633, 634, 635, 637, 638, 639,
&end
#
# 61 THR HA 61 THR HN 3.50 (# 494:15 Single Ambig)
&rst
ixpk= 494, nxpk= 15, iat= 901, 899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLN HA 61 THR HN 3.50 (# 1670:15 Single Ambig)
&rst
ixpk= 1670, nxpk= 15, iat= 884, 899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 MET HN 77 ILE HN 4.50 (# 1067:15 Single Ambig)
&rst
ixpk= 1067, nxpk= 15, iat= 81,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 VAL HN 77 ILE HN 4.50 (# 1671:15 Single Ambig)
&rst
ixpk= 1671, nxpk= 15, iat= 118,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL HB 77 ILE HN 5.50 (# 1672:15 Single Ambig)
&rst
ixpk= 1672, nxpk= 15, iat=1119,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ILE HG1- 77 ILE HN 3.50 (# 1074:15 Single Ambig)
&rst
ixpk= 1074, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1141,1142,
&end
#
# 7 VAL MGX 77 ILE HN 3.50 (# 1673:15 Single Ambig)
&rst
ixpk= 1673, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 77 ILE QD1 77 ILE HN 4.50 (# 1076:15 Single Ambig)
&rst
ixpk= 1076, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1144,1145,1146,
&end
#
# 7 VAL MGY 77 ILE HN 4.50 (# 1674:15 Single Ambig)
&rst
ixpk= 1674, nxpk= 15, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125, 126, 128, 129, 130,
&end
#
# 79 LEU HN 78 SER HN 5.50 (# 1675:15 Unique 3.89, 4.25 A)
&rst
ixpk= 1675, nxpk= 15, iat=1161,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 LEU HA 79 LEU HN 4.50 (# 1087:15 Single Ambig)
&rst
ixpk= 1087, nxpk= 15, iat=1163,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 SER HA 79 LEU HN 4.50 (# 1676:15 Single Ambig)
&rst
ixpk= 1676, nxpk= 15, iat=1152,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 CYS HA 80 CYS HN 5.50 (# 1677:15 Unique 2.44, 3.26 A)
&rst
ixpk= 1677, nxpk= 15, iat=1182,1180, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 VAL MGX 82 CYS HN 4.50 (# 1108:15 Single Ambig)
&rst
ixpk= 1108, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL MGY 82 CYS HN 4.50 (# 1678:15 Single Ambig)
&rst
ixpk= 1678, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 82 CYS HB- 82 CYS HN 2.80 (# 1679:15 Unique 2.26, 3.15 A)
&rst
ixpk= 1679, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1202,1203,
&end
#
# 84 VAL MGX 84 VAL HN 2.80 (# 282:15 Single Ambig)
&rst
ixpk= 282, nxpk= 15, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL MGY 84 VAL HN 2.80 (# 1680:15 Single Ambig)
&rst
ixpk= 1680, nxpk= 15, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL HA 84 VAL HN 2.80 (# 279:15 Single Ambig)
&rst
ixpk= 279, nxpk= 15, iat=1218,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 GLY HA+ 84 VAL HN 2.80 (# 1681:15 Single Ambig)
&rst
ixpk= 1681, nxpk= 15, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1211,1212,
&end
#
# 86 LEU MDY 80 CYS HN 5.50 (# 1096:15 Single Ambig)
&rst
ixpk= 1096, nxpk= 15, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1255,1256,1257,1259,1260,1261,
&end
#
# 79 LEU MDX 80 CYS HN 5.50 (# 1682:15 Single Ambig)
&rst
ixpk= 1682, nxpk= 15, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 84 VAL MGY 80 CYS HN 5.50 (# 1683:15 Single Ambig)
&rst
ixpk= 1683, nxpk= 15, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 57 ILE HB 60 GLN HE2- 4.50 (# 1606:15 Single Ambig)
&rst
ixpk= 1606, nxpk= 15, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 894, 895,
&end
#
# 60 GLN HG+ 60 GLN HE2- 4.50 (# 1684:15 Single Ambig)
&rst
ixpk= 1684, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 889, 890,
igr2= 894, 895,
&end
#
# 127 ILE HN 128 ALA HN 2.80 (# 584:15 Double Ambig)
&rst
ixpk= 584, nxpk= 15, iat=1921,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 89 GLU HA 90 TRP HN 3.50 (# 356:15 Double Ambig)
&rst
ixpk= 356, nxpk= 15, iat=1295,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ALA HA 47 ILE HN 3.50 (# 1685:15 Double Ambig)
&rst
ixpk= 1685, nxpk= 15, iat= 690, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HA 91 VAL HN 3.50 (# 1686:15 Single Ambig)
&rst
ixpk= 1686, nxpk= 15, iat=1310,1332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 TRP HA 92 THR HN 4.50 (# 1687:25 Single Ambig)
&rst
ixpk= 1687, nxpk= 25, iat=1310,1348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 VAL MGX 81 GLY HN 5.50 (# 1692:15 Single Ambig)
&rst
ixpk= 1692, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 84 VAL MGY 81 GLY HN 5.50 (# 1693:15 Single Ambig)
&rst
ixpk= 1693, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1222,1223,1224,1226,1227,1228,
&end
#
# 81 GLY HN 100 GLN HE2- 5.50 (# 1542:15 Unique 2.85, 5.73 A)
&rst
ixpk= 1542, nxpk= 15, iat=1191, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1496,1497,
&end
#
# 81 GLY HN 100 GLN HE2+ 5.50 (# 1547:15 Unique 2.85, 5.73 A)
&rst
ixpk= 1547, nxpk= 15, iat=1191, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1496,1497,
&end
#
# 81 GLY HA- 101 LEU HN 5.50 (# 1214:15 Single Ambig)
&rst
ixpk= 1214, nxpk= 15, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1193,1194,
&end
#
# 101 LEU HN 81 GLY HN 5.50 (# 1694:15 Unique 1.60, 2.32 A)
&rst
ixpk= 1694, nxpk= 15, iat=1501,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 LEU MDX 81 GLY HN 5.50 (# 1104:15 Single Ambig)
&rst
ixpk= 1104, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 80 CYS HB- 81 GLY HN 4.50 (# 1102:15 Single Ambig)
&rst
ixpk= 1102, nxpk= 15, iat= -1,1191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1184,1185,
&end
#
# 100 GLN HN 82 CYS HN 4.50 (# 1695:15 Unique 1.76, 2.43 A)
&rst
ixpk= 1695, nxpk= 15, iat=1484,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 GLN HA 82 CYS HN 3.50 (# 352:15 Double Ambig)
&rst
ixpk= 352, nxpk= 15, iat=1486,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 LEU HA 110 GLU HN 3.50 (# 1696:15 Double Ambig)
&rst
ixpk= 1696, nxpk= 15, iat=1610,1627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 CYS HB+ 100 GLN HE2+ 5.50 (# 1428:15 Double Ambig)
&rst
ixpk= 1428, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1202,1203,
igr2=1496,1497,
&end
#
# 98 ASP HB+ 100 GLN HE2+ 5.50 (# 1698:15 Double Ambig)
&rst
ixpk= 1698, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1452,1453,
igr2=1496,1497,
&end
#
# 82 CYS HB+ 100 GLN HE2- 5.50 (# 1697:15 Double Ambig)
&rst
ixpk= 1697, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1202,1203,
igr2=1496,1497,
&end
#
# 98 ASP HB- 100 GLN HE2+ 5.50 (# 1699:15 Double Ambig)
&rst
ixpk= 1699, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1452,1453,
igr2=1496,1497,
&end
#
# 82 CYS HA 82 CYS HN 4.50 (# 1700:15 Double Ambig)
&rst
ixpk= 1700, nxpk= 15, iat=1200,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 CYS HA 100 GLN HE2+ 4.50 (# 1701:15 Unique 2.41, 4.24 A)
&rst
ixpk= 1701, nxpk= 15, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1496,1497,
&end
#
# 82 CYS HA 100 GLN HE2- 4.50 (# 1702:15 Unique 2.41, 4.24 A)
&rst
ixpk= 1702, nxpk= 15, iat=1200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1496,1497,
&end
#
# 79 LEU HA 81 GLY HN 5.50 (# 1703:15 Double Ambig)
&rst
ixpk= 1703, nxpk= 15, iat=1163,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 ILE HG1- 58 SER HN 5.50 (# 1704:15 Unique 2.95, 3.93 A)
&rst
ixpk= 1704, nxpk= 15, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 708, 709,
&end
#
# 47 ILE HB 58 SER HN 5.50 (# 1705:15 Unique 2.95, 3.93 A)
&rst
ixpk= 1705, nxpk= 15, iat= 702, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 ILE QG2 60 GLN HE2+ 5.50 (# 951:15 Unique 2.95, 3.93 A)
&rst
ixpk= 951, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 851, 852, 853,
igr2= 894, 895,
&end
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