NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492878 |
2oq3   |
15126 | cing | 1-original | 7 | AMBER | distance | NOE | ambi |
#
# 21 TRP HN 21 TRP HE1 5.50 (# 3:15 Unique 3.81, 3.99 A)
&rst
ixpk= 3, nxpk= 15, iat= 316, 326, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 21 TRP HD1 21 TRP HE1 2.80 (# 4:15 Unique 2.53, 2.55 A)
&rst
ixpk= 4, nxpk= 15, iat= 324, 326, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:6 21 TRP HE1 5.50 (# 6:15 Single Ambig)
&rst
ixpk= 6, nxpk= 15, iat= -1, 326, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 306,1382,
&end
#
# 91 PRO HD+ 21 TRP HE1 5.50 (# 7:15 Unique 3.96, 5.56 A)
&rst
ixpk= 7, nxpk= 15, iat= -1, 326, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1401,1402,
&end
#
# 0 AMB 15-2:8 21 TRP HE1 4.50 (# 8:15 Single Ambig)
&rst
ixpk= 8, nxpk= 15, iat= -1, 326, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1404,1405, 809, 810,
&end
#
# 91 PRO HG+ 21 TRP HE1 5.50 (# 10:15 Unique 3.71, 4.91 A)
&rst
ixpk= 10, nxpk= 15, iat= -1, 326, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1404,1405,
&end
#
# 0 AMB 15-2:13 101 ILE HN 5.50 (# 13:15 Single Ambig)
&rst
ixpk= 13, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1008,1009,1011,1012,
&end
#
# 64 ALA HN 101 ILE HN 5.50 (# 15:15 Unique 3.99, 4.21 A)
&rst
ixpk= 15, nxpk= 15, iat= 994,1555, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 MET HA 101 ILE HN 3.50 (# 16:15 Unique 2.06, 2.32 A)
&rst
ixpk= 16, nxpk= 15, iat=1006,1555, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 ILE HA 101 ILE HN 3.50 (# 17:15 Unique 2.95, 2.97 A)
&rst
ixpk= 17, nxpk= 15, iat=1557,1555, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 PRO HD+ 101 ILE HN 4.50 (# 18:15 Unique 2.62, 3.38 A)
&rst
ixpk= 18, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1022,1023,
&end
#
# 0 AMB 15-2:19 101 ILE HN 3.50 (# 19:15 Single Ambig)
&rst
ixpk= 19, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1559,1540,1541,
&end
#
# 0 AMB 15-2:20 101 ILE HN 3.50 (# 20:15 Single Ambig)
&rst
ixpk= 20, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1565,1566,1543,
&end
#
# 101 ILE QD1 101 ILE HN 4.50 (# 21:15 Unique 2.63, 5.06 A)
&rst
ixpk= 21, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1568,1569,1570,
&end
#
# 66 PRO HD- 101 ILE HN 4.50 (# 22:15 Unique 2.62, 3.38 A)
&rst
ixpk= 22, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1022,1023,
&end
#
# 100 LEU HB- 101 ILE HN 4.50 (# 23:15 Unique 2.62, 3.51 A)
&rst
ixpk= 23, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1540,1541,
&end
#
# 0 AMB 15-2:24 101 ILE HN 3.50 (# 24:15 Single Ambig)
&rst
ixpk= 24, nxpk= 15, iat= -1,1555, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1561,1562,1563, 998, 999,1000,
&end
#
# 15 ILE HN 83 LEU HN 4.50 (# 26:15 Unique 3.59, 3.76 A)
&rst
ixpk= 26, nxpk= 15, iat= 225,1266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:27 83 LEU HN 4.50 (# 27:15 Single Ambig)
&rst
ixpk= 27, nxpk= 15, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 198,1252,
&end
#
# 82 THR HA 83 LEU HN 2.80 (# 28:15 Unique 2.16, 2.23 A)
&rst
ixpk= 28, nxpk= 15, iat=1254,1266, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 VAL HA 83 LEU HN 3.50 (# 29:15 Unique 2.62, 2.79 A)
&rst
ixpk= 29, nxpk= 15, iat= 211,1266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LEU HB+ 83 LEU HN 3.50 (# 30:15 Unique 2.68, 2.91 A)
&rst
ixpk= 30, nxpk= 15, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1270,1271,
&end
#
# 83 LEU HB- 83 LEU HN 3.50 (# 31:15 Unique 2.68, 2.91 A)
&rst
ixpk= 31, nxpk= 15, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1270,1271,
&end
#
# 82 THR MG2 83 LEU HN 2.80 (# 32:15 Unique 2.52, 3.38 A)
&rst
ixpk= 32, nxpk= 15, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1258,1259,1260,
&end
#
# 0 AMB 15-2:33 83 LEU HN 3.50 (# 33:15 Single Ambig)
&rst
ixpk= 33, nxpk= 15, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
220, 221,
&end
#
# 0 AMB 15-2:34 83 LEU HN 4.50 (# 34:15 Single Ambig)
&rst
ixpk= 34, nxpk= 15, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 229,1273,
&end
#
# 65 MET HN 59 LEU HN 5.50 (# 36:15 Unique 4.60, 5.01 A)
&rst
ixpk= 36, nxpk= 15, iat=1004, 928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 ALA HA 59 LEU HN 3.50 (# 37:15 Unique 2.56, 3.05 A)
&rst
ixpk= 37, nxpk= 15, iat= 996, 928, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 ILE HA 59 LEU HN 2.80 (# 38:15 Unique 2.24, 2.30 A)
&rst
ixpk= 38, nxpk= 15, iat= 911, 928, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:39 59 LEU HN 4.50 (# 39:15 Single Ambig)
&rst
ixpk= 39, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 982, 913,
&end
#
# 59 LEU HB+ 59 LEU HN 4.50 (# 40:15 Unique 2.42, 3.18 A)
&rst
ixpk= 40, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 932, 933,
&end
#
# 59 LEU HB- 59 LEU HN 3.50 (# 41:15 Unique 2.42, 3.18 A)
&rst
ixpk= 41, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 932, 933,
&end
#
# 64 ALA MB 59 LEU HN 5.50 (# 42:15 Unique 4.18, 5.33 A)
&rst
ixpk= 42, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 998, 999,1000,
&end
#
# 59 LEU MDY 59 LEU HN 4.50 (# 43:15 Unique 2.63, 4.22 A)
&rst
ixpk= 43, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 58 ILE QG2 59 LEU HN 3.50 (# 44:15 Unique 2.45, 3.20 A)
&rst
ixpk= 44, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 915, 916, 917,
&end
#
# 65 MET HB- 59 LEU HN 5.50 (# 45:15 Unique 5.63, 5.97 A)
&rst
ixpk= 45, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1008,1009,
&end
#
# 58 ILE QD1 59 LEU HN 5.50 (# 46:15 Unique 3.86, 4.82 A)
&rst
ixpk= 46, nxpk= 15, iat= -1, 928, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 922, 923, 924,
&end
#
# 89 TYR HD 90 PHE HN 5.50 (# 51:15 Unique 1.86, 4.30 A)
&rst
ixpk= 51, nxpk= 15, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1367,1376,
&end
#
# 90 PHE HD 90 PHE HN 4.50 (# 52:15 Unique 2.45, 4.08 A)
&rst
ixpk= 52, nxpk= 15, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1388,1396,
&end
#
# 89 TYR HA 90 PHE HN 3.50 (# 53:15 Unique 2.12, 3.31 A)
&rst
ixpk= 53, nxpk= 15, iat=1361,1380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 PHE HA 90 PHE HN 4.50 (# 55:15 Unique 2.14, 2.84 A)
&rst
ixpk= 55, nxpk= 15, iat=1382,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:56 90 PHE HN 4.50 (# 56:15 Single Ambig)
&rst
ixpk= 56, nxpk= 15, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1384,1385,1401,1402,
&end
#
# 90 PHE HB+ 90 PHE HN 3.50 (# 57:15 Unique 2.14, 3.10 A)
&rst
ixpk= 57, nxpk= 15, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1384,1385,
&end
#
# 96 PRO HA 90 PHE HN 5.50 (# 59:15 Unique 3.64, 5.19 A)
&rst
ixpk= 59, nxpk= 15, iat=1472,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:60 64 ALA HN 4.50 (# 60:15 Single Ambig)
&rst
ixpk= 60, nxpk= 15, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1517, 928, 947,
&end
#
# 0 AMB 15-2:61 64 ALA HN 4.50 (# 61:15 Single Ambig)
&rst
ixpk= 61, nxpk= 15, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1521,1522, 982,
&end
#
# 100 LEU HA 64 ALA HN 4.50 (# 62:15 Unique 2.64, 2.83 A)
&rst
ixpk= 62, nxpk= 15, iat=1538, 994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 VAL HA 64 ALA HN 2.80 (# 63:15 Unique 2.07, 2.15 A)
&rst
ixpk= 63, nxpk= 15, iat= 980, 994, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 ALA MB 64 ALA HN 2.80 (# 64:15 Unique 2.43, 3.16 A)
&rst
ixpk= 64, nxpk= 15, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 998, 999,1000,
&end
#
# 0 AMB 15-2:65 64 ALA HN 4.50 (# 65:15 Single Ambig)
&rst
ixpk= 65, nxpk= 15, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 984, 985, 986, 988, 989, 990,1526,1527,1528,1530,
1531,1532, 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 15-2:66 64 ALA HN 4.50 (# 66:15 Single Ambig)
&rst
ixpk= 66, nxpk= 15, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1543, 932, 933,
&end
#
# 0 AMB 15-2:67 0 AMB 15-1:67 4.50 (# 67:15 Double Ambig)
&rst
ixpk= 67, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1266, 978,
igr2= 225, 994,
&end
#
# 0 AMB 15-2:68 0 AMB 15-1:68 2.80 (# 68:15 Double Ambig)
&rst
ixpk= 68, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
igr1= 984, 985, 986, 988, 989, 990, 235, 236, 937, 938,
939, 941, 942, 943,
igr2= 994, 225,
&end
#
# 0 AMB 15-2:69 0 AMB 15-1:69 3.50 (# 69:15 Double Ambig)
&rst
ixpk= 69, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 996,1287,
igr2= 994, 225,
&end
#
# 0 AMB 15-2:70 15 ILE HN 4.50 (# 70:15 Single Ambig)
&rst
ixpk= 70, nxpk= 15, iat= -1, 225, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1270,1271, 213,
&end
#
# 15 ILE HB 15 ILE HN 3.50 (# 71:15 Unique 2.36, 2.47 A)
&rst
ixpk= 71, nxpk= 15, iat= 229, 225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:72 0 AMB 15-1:72 2.80 (# 72:15 Double Ambig)
&rst
ixpk= 72, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1482,1483,1484, 231, 232, 233,1848,1849,1850,1852,
1853,1854,
igr2= 994, 225,
&end
#
# 14 VAL HA 15 ILE HN 2.80 (# 73:15 Unique 2.17, 2.21 A)
&rst
ixpk= 73, nxpk= 15, iat= 211, 225, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 ILE HA 15 ILE HN 3.50 (# 74:15 Unique 2.97, 2.97 A)
&rst
ixpk= 74, nxpk= 15, iat= 227, 225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:75 15 ILE HN 4.50 (# 75:15 Single Ambig)
&rst
ixpk= 75, nxpk= 15, iat= -1, 225, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1304, 209,
&end
#
# 132 LEU HA 134 ALA HN 5.50 (# 76:15 Unique 3.73, 3.89 A)
&rst
ixpk= 76, nxpk= 15, iat=2005,2036, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:78 134 ALA HN 4.50 (# 78:15 Single Ambig)
&rst
ixpk= 78, nxpk= 15, iat= -1,2036, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1988,1989,2028,2029,2030,
&end
#
# 0 AMB 15-2:79 134 ALA HN 4.50 (# 79:15 Single Ambig)
&rst
ixpk= 79, nxpk= 15, iat= -1,2036, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1986,1969,
&end
#
# 126 GLU HN 125 GLU HN 4.50 (# 80:15 Unique 2.73, 2.82 A)
&rst
ixpk= 80, nxpk= 15, iat=1899,1884, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:81 125 GLU HN 4.50 (# 81:15 Single Ambig)
&rst
ixpk= 81, nxpk= 15, iat= -1,1884, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1869,1914,
&end
#
# 124 GLU HA 125 GLU HN 2.80 (# 82:15 Unique 2.04, 2.11 A)
&rst
ixpk= 82, nxpk= 15, iat=1871,1884, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 125 GLU HA 125 GLU HN 3.50 (# 84:15 Unique 2.75, 2.79 A)
&rst
ixpk= 84, nxpk= 15, iat=1886,1884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 GLU HG+ 125 GLU HN 3.50 (# 85:15 Unique 2.21, 2.93 A)
&rst
ixpk= 85, nxpk= 15, iat= -1,1884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1891,1892,
&end
#
# 125 GLU HB+ 125 GLU HN 2.80 (# 86:15 Unique 2.42, 3.05 A)
&rst
ixpk= 86, nxpk= 15, iat= -1,1884, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1888,1889,
&end
#
# 106 ALA HN 105 ALA HN 5.50 (# 88:15 Unique 4.17, 4.23 A)
&rst
ixpk= 88, nxpk= 15, iat=1621,1611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 HIS HD2 105 ALA HN 5.50 (# 89:15 Unique 3.89, 4.36 A)
&rst
ixpk= 89, nxpk= 15, iat=1048,1611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 ALA HA 105 ALA HN 4.50 (# 90:15 Unique 2.91, 2.93 A)
&rst
ixpk= 90, nxpk= 15, iat=1613,1611, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 SER HA 105 ALA HN 2.80 (# 92:15 Unique 2.32, 2.35 A)
&rst
ixpk= 92, nxpk= 15, iat=1602,1611, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 104 SER HB- 105 ALA HN 4.50 (# 93:15 Unique 2.87, 3.49 A)
&rst
ixpk= 93, nxpk= 15, iat= -1,1611, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 105 ALA MB 105 ALA HN 3.50 (# 94:15 Unique 2.74, 3.36 A)
&rst
ixpk= 94, nxpk= 15, iat= -1,1611, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1615,1616,1617,
&end
#
# 74 ALA MB 105 ALA HN 3.50 (# 95:15 Unique 2.29, 2.89 A)
&rst
ixpk= 95, nxpk= 15, iat= -1,1611, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1137,1138,1139,
&end
#
# 0 AMB 15-2:96 105 ALA HN 5.50 (# 96:15 Single Ambig)
&rst
ixpk= 96, nxpk= 15, iat= -1,1611, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1590,1591,1592,1594,1595,1596, 601, 602, 603,
&end
#
# 135 SER HN 134 ALA HN 5.50 (# 97:15 Unique 3.78, 4.38 A)
&rst
ixpk= 97, nxpk= 15, iat=2046,2036, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 LEU HN 134 ALA HN 5.50 (# 98:15 Unique 4.17, 4.30 A)
&rst
ixpk= 98, nxpk= 15, iat=2003,2036, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 133 THR HN 134 ALA HN 2.80 (# 99:15 Unique 2.05, 2.20 A)
&rst
ixpk= 99, nxpk= 15, iat=2022,2036, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:100 134 ALA HN 3.50 (# 100:15 Single Ambig)
&rst
ixpk= 100, nxpk= 15, iat= -1,2036, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2024,2026,
&end
#
# 134 ALA HA 134 ALA HN 3.50 (# 101:15 Unique 2.80, 2.84 A)
&rst
ixpk= 101, nxpk= 15, iat=2038,2036, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:102 134 ALA HN 5.50 (# 102:15 Single Ambig)
&rst
ixpk= 102, nxpk= 15, iat= -1,2036, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1270,1271,2007,2008,1991,
&end
#
# 134 ALA MB 134 ALA HN 2.80 (# 103:15 Unique 2.37, 2.87 A)
&rst
ixpk= 103, nxpk= 15, iat= -1,2036, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2040,2041,2042,
&end
#
# 83 LEU MDX 134 ALA HN 3.50 (# 104:15 Unique 2.48, 4.58 A)
&rst
ixpk= 104, nxpk= 15, iat= -1,2036, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 15-2:105 134 ALA HN 4.50 (# 105:15 Single Ambig)
&rst
ixpk= 105, nxpk= 15, iat= -1,2036, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=2176,2177,2178,1993,1994,1995,1997,1998,1999, 215,
216, 217, 219, 220, 221,
&end
#
# 104 SER HB+ 105 ALA HN 5.50 (# 106:15 Unique 2.87, 3.49 A)
&rst
ixpk= 106, nxpk= 15, iat= -1,1611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1604,1605,
&end
#
# 95 GLU HN 94 ASP HN 4.50 (# 107:15 Unique 2.15, 2.67 A)
&rst
ixpk= 107, nxpk= 15, iat=1447,1435, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ASN HA 94 ASP HN 2.80 (# 108:15 Unique 2.23, 2.48 A)
&rst
ixpk= 108, nxpk= 15, iat=1423,1435, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 94 ASP HA 94 ASP HN 3.50 (# 110:15 Unique 2.12, 2.82 A)
&rst
ixpk= 110, nxpk= 15, iat=1437,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 ASP HB- 94 ASP HN 4.50 (# 111:15 Unique 2.39, 2.56 A)
&rst
ixpk= 111, nxpk= 15, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1439,1440,
&end
#
# 94 ASP HB+ 94 ASP HN 4.50 (# 112:15 Unique 2.39, 2.56 A)
&rst
ixpk= 112, nxpk= 15, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1439,1440,
&end
#
# 93 ASN HN 94 ASP HN 5.50 (# 113:15 Unique 2.75, 4.51 A)
&rst
ixpk= 113, nxpk= 15, iat=1421,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LEU HN 84 LEU HN 5.50 (# 115:15 Unique 4.02, 4.34 A)
&rst
ixpk= 115, nxpk= 15, iat=1266,1285, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 GLU HN 84 LEU HN 5.50 (# 116:15 Unique 3.30, 3.89 A)
&rst
ixpk= 116, nxpk= 15, iat=1304,1285, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:117 84 LEU HN 2.80 (# 117:15 Single Ambig)
&rst
ixpk= 117, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1268,1287,
&end
#
# 98 LYS HA 84 LEU HN 4.50 (# 118:15 Unique 1.94, 2.31 A)
&rst
ixpk= 118, nxpk= 15, iat=1497,1285, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 LYS HB+ 84 LEU HN 5.50 (# 119:15 Unique 2.41, 3.77 A)
&rst
ixpk= 119, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1499,1500,
&end
#
# 83 LEU HB+ 84 LEU HN 4.50 (# 120:15 Unique 3.81, 4.18 A)
&rst
ixpk= 120, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1270,1271,
&end
#
# 84 LEU HB- 84 LEU HN 3.50 (# 121:15 Unique 2.42, 3.05 A)
&rst
ixpk= 121, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1289,1290,
&end
#
# 98 LYS HB- 84 LEU HN 3.50 (# 122:15 Unique 2.41, 3.77 A)
&rst
ixpk= 122, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1499,1500,
&end
#
# 84 LEU HB+ 84 LEU HN 3.50 (# 123:15 Unique 2.42, 3.05 A)
&rst
ixpk= 123, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1289,1290,
&end
#
# 83 LEU HG 84 LEU HN 3.50 (# 124:15 Unique 2.26, 2.89 A)
&rst
ixpk= 124, nxpk= 15, iat=1273,1285, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LEU HB- 84 LEU HN 4.50 (# 125:15 Unique 3.81, 4.18 A)
&rst
ixpk= 125, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1270,1271,
&end
#
# 83 LEU MDY 84 LEU HN 2.80 (# 126:15 Unique 2.30, 4.50 A)
&rst
ixpk= 126, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 84 LEU MDX 84 LEU HN 4.50 (# 127:15 Unique 2.37, 4.87 A)
&rst
ixpk= 127, nxpk= 15, iat= -1,1285, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 15-2:129 12 ILE HN 5.50 (# 129:15 Single Ambig)
&rst
ixpk= 129, nxpk= 15, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 198,1233,
&end
#
# 11 SER HN 12 ILE HN 3.50 (# 130:15 Unique 2.71, 2.82 A)
&rst
ixpk= 130, nxpk= 15, iat= 168, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ILE HA 12 ILE HN 3.50 (# 131:15 Unique 2.91, 2.96 A)
&rst
ixpk= 131, nxpk= 15, iat= 181, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 SER HA 12 ILE HN 4.50 (# 132:15 Unique 3.20, 3.41 A)
&rst
ixpk= 132, nxpk= 15, iat= 170, 179, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 SER HB+ 12 ILE HN 5.50 (# 133:15 Unique 3.47, 4.25 A)
&rst
ixpk= 133, nxpk= 15, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 172, 173,
&end
#
# 12 ILE HB 12 ILE HN 2.80 (# 134:15 Unique 2.34, 2.44 A)
&rst
ixpk= 134, nxpk= 15, iat= 183, 179, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 ILE QD1 12 ILE HN 4.50 (# 135:15 Unique 2.68, 4.52 A)
&rst
ixpk= 135, nxpk= 15, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 192, 193, 194,
&end
#
# 10 SER HA 12 ILE HN 4.50 (# 136:15 Unique 3.22, 3.48 A)
&rst
ixpk= 136, nxpk= 15, iat= 159, 179, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 ILE QG2 12 ILE HN 3.50 (# 137:15 Unique 3.77, 4.41 A)
&rst
ixpk= 137, nxpk= 15, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 185, 186, 187,
&end
#
# 57 TYR HN 58 ILE HN 4.50 (# 139:15 Unique 3.76, 4.15 A)
&rst
ixpk= 139, nxpk= 15, iat= 888, 909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 ALA HA 58 ILE HN 5.50 (# 140:15 Unique 4.32, 4.51 A)
&rst
ixpk= 140, nxpk= 15, iat= 996, 909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 ILE HA 58 ILE HN 3.50 (# 142:15 Unique 2.91, 2.93 A)
&rst
ixpk= 142, nxpk= 15, iat= 911, 909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 ILE HB 58 ILE HN 2.80 (# 143:15 Unique 2.69, 2.78 A)
&rst
ixpk= 143, nxpk= 15, iat= 913, 909, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:144 58 ILE HN 5.50 (# 144:15 Single Ambig)
&rst
ixpk= 144, nxpk= 15, iat= -1, 909, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 860, 861, 932, 933,
&end
#
# 58 ILE HG1- 58 ILE HN 3.50 (# 145:15 Unique 3.13, 3.94 A)
&rst
ixpk= 145, nxpk= 15, iat= -1, 909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 919, 920,
&end
#
# 59 LEU MDY 58 ILE HN 3.50 (# 146:15 Unique 3.26, 5.00 A)
&rst
ixpk= 146, nxpk= 15, iat= -1, 909, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 58 ILE QG2 58 ILE HN 4.50 (# 147:15 Unique 4.35, 4.75 A)
&rst
ixpk= 147, nxpk= 15, iat= -1, 909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 915, 916, 917,
&end
#
# 58 ILE QD1 58 ILE HN 4.50 (# 148:15 Unique 4.26, 5.13 A)
&rst
ixpk= 148, nxpk= 15, iat= -1, 909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 922, 923, 924,
&end
#
# 57 TYR HA 58 ILE HN 3.50 (# 149:15 Unique 2.13, 2.22 A)
&rst
ixpk= 149, nxpk= 15, iat= 890, 909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:150 114 ALA HN 5.50 (# 150:15 Single Ambig)
&rst
ixpk= 150, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1733, 8, 9,
&end
#
# 103 LEU MDX 114 ALA HN 5.50 (# 151:15 Unique 4.07, 5.28 A)
&rst
ixpk= 151, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 116 GLN HN 114 ALA HN 5.50 (# 152:15 Unique 4.00, 4.05 A)
&rst
ixpk= 152, nxpk= 15, iat=1748,1719, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 GLY HN 114 ALA HN 3.50 (# 153:15 Unique 2.70, 2.80 A)
&rst
ixpk= 153, nxpk= 15, iat=1712,1719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 SER HA 114 ALA HN 5.50 (# 154:15 Unique 3.84, 4.03 A)
&rst
ixpk= 154, nxpk= 15, iat=1667,1719, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:155 114 ALA HN 3.50 (# 155:15 Single Ambig)
&rst
ixpk= 155, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1714,1715,1678,
&end
#
# 114 ALA HA 114 ALA HN 3.50 (# 156:15 Unique 2.86, 2.87 A)
&rst
ixpk= 156, nxpk= 15, iat=1721,1719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 ILE HG1- 114 ALA HN 5.50 (# 157:15 Unique 4.78, 5.50 A)
&rst
ixpk= 157, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1739,1740,
&end
#
# 114 ALA MB 114 ALA HN 2.80 (# 159:15 Unique 2.32, 2.83 A)
&rst
ixpk= 159, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1723,1724,1725,
&end
#
# 112 ILE QG2 114 ALA HN 5.50 (# 160:15 Unique 5.22, 6.08 A)
&rst
ixpk= 160, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1699,1700,1701,
&end
#
# 103 LEU MDY 114 ALA HN 5.50 (# 161:15 Unique 4.07, 5.28 A)
&rst
ixpk= 161, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 90 PHE HN 89 TYR HN 5.50 (# 163:15 Unique 1.67, 3.11 A)
&rst
ixpk= 163, nxpk= 15, iat=1380,1359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 89 TYR HD 89 TYR HN 5.50 (# 164:15 Unique 3.27, 4.61 A)
&rst
ixpk= 164, nxpk= 15, iat= -1,1359, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1367,1376,
&end
#
# 89 TYR HA 89 TYR HN 3.50 (# 165:15 Unique 2.20, 2.71 A)
&rst
ixpk= 165, nxpk= 15, iat=1361,1359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 TYR HB+ 89 TYR HN 3.50 (# 167:15 Unique 2.09, 2.91 A)
&rst
ixpk= 167, nxpk= 15, iat= -1,1359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1363,1364,
&end
#
# 89 TYR HB- 89 TYR HN 3.50 (# 168:15 Unique 2.09, 2.91 A)
&rst
ixpk= 168, nxpk= 15, iat= -1,1359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1363,1364,
&end
#
# 88 VAL HB 89 TYR HN 4.50 (# 169:15 Unique 2.04, 3.43 A)
&rst
ixpk= 169, nxpk= 15, iat=1347,1359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 VAL MGY 89 TYR HN 3.50 (# 170:15 Unique 1.89, 4.35 A)
&rst
ixpk= 170, nxpk= 15, iat= -1,1359, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 64 ALA MB 58 ILE HN 5.50 (# 171:15 Unique 5.09, 6.24 A)
&rst
ixpk= 171, nxpk= 15, iat= -1, 909, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 998, 999,1000,
&end
#
# 0 AMB 15-2:172 114 ALA HN 4.50 (# 172:15 Single Ambig)
&rst
ixpk= 172, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1190,1191,1192,1769,1770,1771,
&end
#
# 4 SER HN 3 LEU HN 3.50 (# 176:15 Unique 2.56, 2.87 A)
&rst
ixpk= 176, nxpk= 15, iat= 64, 45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 TYR HD 3 LEU HN 5.50 (# 177:15 Unique 4.66, 7.25 A)
&rst
ixpk= 177, nxpk= 15, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 95, 104,
&end
#
# 2 ARG HA 3 LEU HN 2.80 (# 178:15 Unique 2.05, 2.15 A)
&rst
ixpk= 178, nxpk= 15, iat= 23, 45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 1 MET HA 3 LEU HN 5.50 (# 179:15 Unique 5.36, 5.54 A)
&rst
ixpk= 179, nxpk= 15, iat= 6, 45, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 LEU HA 3 LEU HN 3.50 (# 180:15 Unique 2.72, 2.79 A)
&rst
ixpk= 180, nxpk= 15, iat= 47, 45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 3 LEU HB+ 3 LEU HN 2.80 (# 181:15 Unique 2.23, 2.95 A)
&rst
ixpk= 181, nxpk= 15, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 3 LEU HB- 3 LEU HN 2.80 (# 182:15 Unique 2.23, 2.95 A)
&rst
ixpk= 182, nxpk= 15, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 117 ALA MB 3 LEU HN 4.50 (# 183:15 Unique 3.80, 5.45 A)
&rst
ixpk= 183, nxpk= 15, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1769,1770,1771,
&end
#
# 3 LEU HG 3 LEU HN 4.50 (# 184:15 Unique 2.15, 3.72 A)
&rst
ixpk= 184, nxpk= 15, iat= 52, 45, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LEU MDX 3 LEU HN 4.50 (# 185:15 Unique 2.05, 3.90 A)
&rst
ixpk= 185, nxpk= 15, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 54, 55, 56, 58, 59, 60,
&end
#
# 82 THR HN 100 LEU HN 4.50 (# 186:15 Unique 2.74, 2.89 A)
&rst
ixpk= 186, nxpk= 15, iat=1252,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 LEU HN 100 LEU HN 5.50 (# 187:15 Unique 4.28, 4.44 A)
&rst
ixpk= 187, nxpk= 15, iat=1517,1536, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:188 100 LEU HN 3.50 (# 188:15 Single Ambig)
&rst
ixpk= 188, nxpk= 15, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1268,1254,
&end
#
# 82 THR HB 100 LEU HN 4.50 (# 189:15 Unique 2.94, 3.23 A)
&rst
ixpk= 189, nxpk= 15, iat=1256,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 LEU HB+ 100 LEU HN 4.50 (# 190:15 Unique 3.03, 4.13 A)
&rst
ixpk= 190, nxpk= 15, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1521,1522,
&end
#
# 100 LEU HB+ 100 LEU HN 3.50 (# 191:15 Unique 2.70, 3.43 A)
&rst
ixpk= 191, nxpk= 15, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1540,1541,
&end
#
# 0 AMB 15-2:192 100 LEU HN 3.50 (# 192:15 Single Ambig)
&rst
ixpk= 192, nxpk= 15, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1543,1565,1566,
&end
#
# 99 LEU HG 100 LEU HN 4.50 (# 193:15 Unique 2.54, 3.86 A)
&rst
ixpk= 193, nxpk= 15, iat=1524,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 LEU HB- 100 LEU HN 3.50 (# 194:15 Unique 2.70, 3.43 A)
&rst
ixpk= 194, nxpk= 15, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1540,1541,
&end
#
# 0 AMB 15-2:195 100 LEU HN 2.80 (# 195:15 Single Ambig)
&rst
ixpk= 195, nxpk= 15, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
1550,1551,
&end
#
# 0 AMB 15-2:196 98 LYS HN 5.50 (# 196:15 Single Ambig)
&rst
ixpk= 196, nxpk= 15, iat= -1,1495, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1476, 971,
&end
#
# 98 LYS HA 98 LYS HN 4.50 (# 197:15 Unique 2.77, 2.81 A)
&rst
ixpk= 197, nxpk= 15, iat=1497,1495, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 LEU HN 74 ALA HN 5.50 (# 199:15 Unique 4.58, 4.60 A)
&rst
ixpk= 199, nxpk= 15, iat=1143,1133, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 CYS HN 74 ALA HN 4.50 (# 200:15 Unique 3.58, 3.59 A)
&rst
ixpk= 200, nxpk= 15, iat=1115,1133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 GLY HN 74 ALA HN 2.80 (# 202:15 Unique 1.89, 1.95 A)
&rst
ixpk= 202, nxpk= 15, iat=1126,1133, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 TYR HD 74 ALA HN 4.50 (# 203:15 Unique 2.73, 4.76 A)
&rst
ixpk= 203, nxpk= 15, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 662, 671,
&end
#
# 70 PRO HA 74 ALA HN 3.50 (# 205:15 Unique 3.27, 3.36 A)
&rst
ixpk= 205, nxpk= 15, iat=1096,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 GLU HA 74 ALA HN 5.50 (# 206:15 Unique 4.21, 4.47 A)
&rst
ixpk= 206, nxpk= 15, iat=1102,1133, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ALA HA 74 ALA HN 4.50 (# 207:15 Unique 2.92, 2.93 A)
&rst
ixpk= 207, nxpk= 15, iat=1135,1133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 PRO HB+ 74 ALA HN 5.50 (# 209:15 Unique 4.72, 5.08 A)
&rst
ixpk= 209, nxpk= 15, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1093,1094,
&end
#
# 0 AMB 15-2:210 74 ALA HN 5.50 (# 210:15 Single Ambig)
&rst
ixpk= 210, nxpk= 15, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1150,1147,1148,
&end
#
# 74 ALA MB 74 ALA HN 2.80 (# 211:15 Unique 2.45, 2.93 A)
&rst
ixpk= 211, nxpk= 15, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1137,1138,1139,
&end
#
# 82 THR HA 82 THR HN 3.50 (# 212:15 Unique 2.94, 2.97 A)
&rst
ixpk= 212, nxpk= 15, iat=1254,1252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 THR HB 82 THR HN 3.50 (# 214:15 Unique 2.53, 2.70 A)
&rst
ixpk= 214, nxpk= 15, iat=1256,1252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 LEU HN 98 LYS HN 2.80 (# 215:15 Unique 2.37, 2.79 A)
&rst
ixpk= 215, nxpk= 15, iat=1517,1495, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 ILE HA 98 LYS HN 2.80 (# 216:15 Unique 1.91, 2.17 A)
&rst
ixpk= 216, nxpk= 15, iat=1478,1495, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 ILE QG2 98 LYS HN 3.50 (# 217:15 Unique 3.06, 4.27 A)
&rst
ixpk= 217, nxpk= 15, iat= -1,1495, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1482,1483,1484,
&end
#
# 62 GLY HA+ 98 LYS HN 3.50 (# 218:15 Unique 2.74, 3.33 A)
&rst
ixpk= 218, nxpk= 15, iat= -1,1495, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 973, 974,
&end
#
# 98 LYS HB- 98 LYS HN 3.50 (# 219:15 Unique 2.27, 3.08 A)
&rst
ixpk= 219, nxpk= 15, iat= -1,1495, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1499,1500,
&end
#
# 42 TYR HB- 74 ALA HN 5.50 (# 220:15 Unique 4.00, 4.98 A)
&rst
ixpk= 220, nxpk= 15, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 658, 659,
&end
#
# 75 LEU MDY 74 ALA HN 5.50 (# 221:15 Unique 4.98, 6.78 A)
&rst
ixpk= 221, nxpk= 15, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 100 LEU HN 82 THR HN 4.50 (# 222:15 Unique 2.74, 2.89 A)
&rst
ixpk= 222, nxpk= 15, iat=1536,1252, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 LEU HA 82 THR HN 2.80 (# 223:15 Unique 2.17, 2.28 A)
&rst
ixpk= 223, nxpk= 15, iat=1235,1252, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:224 82 THR HN 3.50 (# 224:15 Single Ambig)
&rst
ixpk= 224, nxpk= 15, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1237,1238,1540,1541,
&end
#
# 100 LEU HB- 82 THR HN 5.50 (# 225:15 Unique 3.37, 4.31 A)
&rst
ixpk= 225, nxpk= 15, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1540,1541,
&end
#
# 0 AMB 15-2:226 82 THR HN 4.50 (# 226:15 Single Ambig)
&rst
ixpk= 226, nxpk= 15, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1242,1243,1244,1246,1247,1248,1526,1527,1528,1530,
1531,1532,
&end
#
# 101 ILE HG1+ 82 THR HN 4.50 (# 228:15 Unique 3.66, 4.58 A)
&rst
ixpk= 228, nxpk= 15, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1565,1566,
&end
#
# 0 AMB 15-2:229 82 THR HN 3.50 (# 229:15 Single Ambig)
&rst
ixpk= 229, nxpk= 15, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1545,1546,1547,1549,1550,1551,1258,1259,1260,
&end
#
# 110 SER HN 111 HIS HN 4.50 (# 233:15 Unique 2.54, 2.61 A)
&rst
ixpk= 233, nxpk= 15, iat=1665,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 ILE HN 111 HIS HN 4.50 (# 235:15 Unique 2.76, 2.80 A)
&rst
ixpk= 235, nxpk= 15, iat=1693,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 ALA HA 111 HIS HN 4.50 (# 236:15 Unique 3.13, 3.25 A)
&rst
ixpk= 236, nxpk= 15, iat=1645,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 110 SER HB+ 111 HIS HN 4.50 (# 237:15 Unique 2.68, 3.31 A)
&rst
ixpk= 237, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1669,1670,
&end
#
# 111 HIS HA 111 HIS HN 4.50 (# 238:15 Unique 2.83, 2.85 A)
&rst
ixpk= 238, nxpk= 15, iat=1678,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 HIS HB+ 111 HIS HN 3.50 (# 239:15 Unique 2.04, 2.54 A)
&rst
ixpk= 239, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 111 HIS HB- 111 HIS HN 3.50 (# 240:15 Unique 2.04, 2.54 A)
&rst
ixpk= 240, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 105 ALA MB 111 HIS HN 4.50 (# 241:15 Unique 2.51, 3.16 A)
&rst
ixpk= 241, nxpk= 15, iat= -1,1676, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1615,1616,1617,
&end
#
# 109 ASP HA 111 HIS HN 5.50 (# 242:15 Unique 4.14, 4.22 A)
&rst
ixpk= 242, nxpk= 15, iat=1655,1676, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ASP HN 33 LEU HN 3.50 (# 243:15 Unique 2.74, 2.76 A)
&rst
ixpk= 243, nxpk= 15, iat= 526, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 LEU HB- 33 LEU HN 2.80 (# 245:15 Unique 2.25, 2.45 A)
&rst
ixpk= 245, nxpk= 15, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 511, 512,
&end
#
# 38 ILE QD1 33 LEU HN 3.50 (# 246:15 Unique 2.60, 3.62 A)
&rst
ixpk= 246, nxpk= 15, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 608, 609, 610,
&end
#
# 0 AMB 15-2:247 33 LEU HN 3.50 (# 247:15 Single Ambig)
&rst
ixpk= 247, nxpk= 15, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1= 514, 516, 517, 518, 520, 521, 522,
&end
#
# 32 LEU HB+ 33 LEU HN 3.50 (# 248:15 Unique 2.44, 3.10 A)
&rst
ixpk= 248, nxpk= 15, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 3 LEU HN 2 ARG HN 5.50 (# 249:15 Unique 4.26, 4.35 A)
&rst
ixpk= 249, nxpk= 15, iat= 45, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 1 MET HN 2 ARG HN 5.50 (# 250:15 Unique 4.18, 5.54 A)
&rst
ixpk= 250, nxpk= 15, iat= 2, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ASP HN 2 ARG HN 5.50 (# 251:15 Unique 4.61, 4.81 A)
&rst
ixpk= 251, nxpk= 15, iat= 75, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 ARG HA 2 ARG HN 3.50 (# 253:15 Unique 2.86, 2.91 A)
&rst
ixpk= 253, nxpk= 15, iat= 23, 21, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 1 MET HA 2 ARG HN 2.80 (# 254:15 Unique 2.20, 2.36 A)
&rst
ixpk= 254, nxpk= 15, iat= 6, 21, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 2 ARG HD+ 2 ARG HN 5.50 (# 255:15 Unique 2.36, 2.82 A)
&rst
ixpk= 255, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 31, 32,
&end
#
# 5 ASP HB+ 2 ARG HN 4.50 (# 256:15 Unique 4.08, 4.52 A)
&rst
ixpk= 256, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 79, 80,
&end
#
# 5 ASP HB- 2 ARG HN 5.50 (# 257:15 Unique 4.08, 4.52 A)
&rst
ixpk= 257, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 79, 80,
&end
#
# 1 MET HG+ 2 ARG HN 4.50 (# 258:15 Unique 2.04, 3.23 A)
&rst
ixpk= 258, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 11, 12,
&end
#
# 2 ARG HB- 2 ARG HN 3.50 (# 259:15 Unique 2.18, 2.94 A)
&rst
ixpk= 259, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 25, 26,
&end
#
# 1 MET HB- 2 ARG HN 3.50 (# 260:15 Unique 2.50, 3.77 A)
&rst
ixpk= 260, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 8, 9,
&end
#
# 0 AMB 15-2:261 2 ARG HN 2.80 (# 261:15 Single Ambig)
&rst
ixpk= 261, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 25, 26, 28, 29,
&end
#
# 75 LEU HA 75 LEU HN 3.50 (# 262:15 Unique 2.99, 2.99 A)
&rst
ixpk= 262, nxpk= 15, iat=1145,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 ILE HA 75 LEU HN 3.50 (# 263:15 Unique 2.58, 2.74 A)
&rst
ixpk= 263, nxpk= 15, iat= 597,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:264 0 AMB 15-1:264 2.80 (# 264:15 Double Ambig)
&rst
ixpk= 264, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1135, 509,
igr2=1143, 507,
&end
#
# 75 LEU HB+ 75 LEU HN 2.80 (# 265:15 Unique 2.58, 3.18 A)
&rst
ixpk= 265, nxpk= 15, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1147,1148,
&end
#
# 0 AMB 15-2:266 0 AMB 15-1:266 2.80 (# 266:15 Double Ambig)
&rst
ixpk= 266, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1= 511, 512,1147,1148,1150,
igr2= 507,1143,
&end
#
# 0 AMB 15-2:267 0 AMB 15-1:267 2.80 (# 267:15 Double Ambig)
&rst
ixpk= 267, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 492, 493,1137,1138,1139, 605, 606,
igr2= 507,1143,
&end
#
# 0 AMB 15-2:268 0 AMB 15-1:268 3.50 (# 268:15 Double Ambig)
&rst
ixpk= 268, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 605, 606, 601, 602, 603,
igr2= 507,1143,
&end
#
# 17 SER HA 16 HIS HN 5.50 (# 271:15 Unique 5.04, 5.16 A)
&rst
ixpk= 271, nxpk= 15, iat= 263, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:272 16 HIS HN 5.50 (# 272:15 Single Ambig)
&rst
ixpk= 272, nxpk= 15, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 215, 216, 217, 219, 220, 221,1294,1295,1296,1298,
1299,1300,
&end
#
# 117 ALA MB 2 ARG HN 5.50 (# 273:15 Unique 5.17, 6.38 A)
&rst
ixpk= 273, nxpk= 15, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1769,1770,1771,
&end
#
# 41 ASN HD2- 42 TYR HN 5.50 (# 274:15 Unique 2.73, 4.15 A)
&rst
ixpk= 274, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 649, 650,
&end
#
# 43 ILE HN 42 TYR HN 3.50 (# 275:15 Unique 2.57, 2.66 A)
&rst
ixpk= 275, nxpk= 15, iat= 675, 654, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 ILE HN 16 HIS HN 5.50 (# 276:15 Unique 4.23, 4.33 A)
&rst
ixpk= 276, nxpk= 15, iat= 225, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 SER HN 16 HIS HN 3.50 (# 277:15 Unique 2.50, 2.62 A)
&rst
ixpk= 277, nxpk= 15, iat= 261, 244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:279 16 HIS HN 2.80 (# 279:15 Single Ambig)
&rst
ixpk= 279, nxpk= 15, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 227, 246,
&end
#
# 16 HIS HB+ 16 HIS HN 2.80 (# 280:15 Unique 2.35, 2.81 A)
&rst
ixpk= 280, nxpk= 15, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 248, 249,
&end
#
# 15 ILE HB 16 HIS HN 4.50 (# 281:15 Unique 4.17, 4.33 A)
&rst
ixpk= 281, nxpk= 15, iat= 229, 244, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 ILE QG2 16 HIS HN 3.50 (# 282:15 Unique 2.77, 3.59 A)
&rst
ixpk= 282, nxpk= 15, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 231, 232, 233,
&end
#
# 0 AMB 15-2:283 42 TYR HN 4.50 (# 283:15 Single Ambig)
&rst
ixpk= 283, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 640, 614,
&end
#
# 42 TYR HD 42 TYR HN 4.50 (# 284:15 Unique 4.40, 4.66 A)
&rst
ixpk= 284, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 662, 671,
&end
#
# 0 AMB 15-2:285 42 TYR HN 3.50 (# 285:15 Single Ambig)
&rst
ixpk= 285, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 618, 619, 656,
&end
#
# 0 AMB 15-2:287 42 TYR HN 4.50 (# 287:15 Single Ambig)
&rst
ixpk= 287, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 618, 619, 642,
&end
#
# 42 TYR HB+ 42 TYR HN 3.50 (# 288:15 Unique 2.27, 2.43 A)
&rst
ixpk= 288, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 658, 659,
&end
#
# 42 TYR HB- 42 TYR HN 2.80 (# 289:15 Unique 2.27, 2.43 A)
&rst
ixpk= 289, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 658, 659,
&end
#
# 41 ASN HB+ 42 TYR HN 4.50 (# 290:15 Unique 2.54, 3.65 A)
&rst
ixpk= 290, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 644, 645,
&end
#
# 0 AMB 15-2:291 0 AMB 15-1:291 5.50 (# 291:15 Double Ambig)
&rst
ixpk= 291, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
igr2= 740, 654,
&end
#
# 38 ILE QG2 42 TYR HN 5.50 (# 292:15 Unique 5.99, 6.56 A)
&rst
ixpk= 292, nxpk= 15, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 601, 602, 603,
&end
#
# 52 ASN HN 51 ILE HN 3.50 (# 293:15 Unique 2.51, 2.66 A)
&rst
ixpk= 293, nxpk= 15, iat= 818, 799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASN HD2+ 51 ILE HN 4.50 (# 294:15 Unique 3.99, 5.09 A)
&rst
ixpk= 294, nxpk= 15, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 827, 828,
&end
#
# 48 ASP HA 51 ILE HN 4.50 (# 297:15 Unique 2.95, 3.21 A)
&rst
ixpk= 297, nxpk= 15, iat= 764, 799, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 LYS HA 51 ILE HN 5.50 (# 298:15 Unique 3.89, 4.14 A)
&rst
ixpk= 298, nxpk= 15, iat= 742, 799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 THR HA 51 ILE HN 4.50 (# 299:15 Unique 3.56, 3.61 A)
&rst
ixpk= 299, nxpk= 15, iat= 787, 799, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 ILE HA 51 ILE HN 3.50 (# 300:15 Unique 2.84, 2.87 A)
&rst
ixpk= 300, nxpk= 15, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:301 51 ILE HN 5.50 (# 301:15 Single Ambig)
&rst
ixpk= 301, nxpk= 15, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 822, 823, 766, 767,
&end
#
# 51 ILE HB 51 ILE HN 2.80 (# 302:15 Unique 2.20, 2.32 A)
&rst
ixpk= 302, nxpk= 15, iat= 803, 799, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 ILE HG1- 51 ILE HN 4.50 (# 303:15 Unique 2.31, 3.06 A)
&rst
ixpk= 303, nxpk= 15, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 809, 810,
&end
#
# 0 AMB 15-2:304 51 ILE HN 3.50 (# 304:15 Single Ambig)
&rst
ixpk= 304, nxpk= 15, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 812, 813, 814, 805, 806, 807,
&end
#
# 50 THR MG2 51 ILE HN 4.50 (# 305:15 Unique 3.37, 4.71 A)
&rst
ixpk= 305, nxpk= 15, iat= -1, 799, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 791, 792, 793,
&end
#
# 27 PHE HN 26 ASP HN 3.50 (# 306:15 Unique 2.77, 2.84 A)
&rst
ixpk= 306, nxpk= 15, iat= 413, 401, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 SER HN 26 ASP HN 5.50 (# 307:15 Unique 3.86, 4.03 A)
&rst
ixpk= 307, nxpk= 15, iat= 433, 401, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 ASP HA 26 ASP HN 3.50 (# 308:15 Unique 2.80, 2.83 A)
&rst
ixpk= 308, nxpk= 15, iat= 403, 401, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:309 26 ASP HN 5.50 (# 309:15 Single Ambig)
&rst
ixpk= 309, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 374, 437, 438,
&end
#
# 23 GLU HA 26 ASP HN 4.50 (# 310:15 Unique 3.12, 3.27 A)
&rst
ixpk= 310, nxpk= 15, iat= 359, 401, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ASP HB- 26 ASP HN 3.50 (# 311:15 Unique 2.44, 2.56 A)
&rst
ixpk= 311, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 405, 406,
&end
#
# 26 ASP HB+ 26 ASP HN 3.50 (# 312:15 Unique 2.44, 2.56 A)
&rst
ixpk= 312, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 405, 406,
&end
#
# 25 ILE HB 26 ASP HN 4.50 (# 314:15 Unique 2.51, 2.59 A)
&rst
ixpk= 314, nxpk= 15, iat= 386, 401, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:315 26 ASP HN 5.50 (# 315:15 Single Ambig)
&rst
ixpk= 315, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 364, 365, 344, 345,
&end
#
# 0 AMB 15-2:316 26 ASP HN 5.50 (# 316:15 Single Ambig)
&rst
ixpk= 316, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 344, 345, 750, 751,
&end
#
# 0 AMB 15-2:317 26 ASP HN 4.50 (# 317:15 Single Ambig)
&rst
ixpk= 317, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 747, 748, 395, 396, 397,
&end
#
# 43 ILE QG2 26 ASP HN 4.50 (# 318:15 Unique 4.18, 4.54 A)
&rst
ixpk= 318, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 681, 682, 683,
&end
#
# 0 AMB 15-2:319 26 ASP HN 5.50 (# 319:15 Single Ambig)
&rst
ixpk= 319, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 392, 393, 364, 365, 448, 449, 361, 362,
&end
#
# 0 AMB 15-2:320 47 LYS HN 3.50 (# 320:15 Single Ambig)
&rst
ixpk= 320, nxpk= 15, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 747, 748, 395, 396, 397,
&end
#
# 46 ILE HB 47 LYS HN 3.50 (# 321:15 Unique 2.45, 2.54 A)
&rst
ixpk= 321, nxpk= 15, iat= 725, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ASP HN 47 LYS HN 3.50 (# 322:15 Unique 2.73, 2.81 A)
&rst
ixpk= 322, nxpk= 15, iat= 762, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 ILE HN 47 LYS HN 3.50 (# 323:15 Unique 2.39, 2.57 A)
&rst
ixpk= 323, nxpk= 15, iat= 721, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 LYS HA 47 LYS HN 4.50 (# 324:15 Unique 2.80, 2.83 A)
&rst
ixpk= 324, nxpk= 15, iat= 742, 740, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 GLN HA 47 LYS HN 3.50 (# 325:15 Unique 2.87, 2.99 A)
&rst
ixpk= 325, nxpk= 15, iat= 696, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 LYS HB- 47 LYS HN 2.80 (# 326:15 Unique 2.36, 3.03 A)
&rst
ixpk= 326, nxpk= 15, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 744, 745,
&end
#
# 47 LYS HG+ 47 LYS HN 3.50 (# 327:15 Unique 2.10, 2.96 A)
&rst
ixpk= 327, nxpk= 15, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 747, 748,
&end
#
# 47 LYS HD+ 47 LYS HN 5.50 (# 328:15 Unique 3.66, 4.16 A)
&rst
ixpk= 328, nxpk= 15, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 750, 751,
&end
#
# 46 ILE QG2 47 LYS HN 4.50 (# 329:15 Unique 3.32, 4.36 A)
&rst
ixpk= 329, nxpk= 15, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 727, 728, 729,
&end
#
# 67 HIS HD2 68 ALA HN 3.50 (# 332:15 Unique 2.70, 3.17 A)
&rst
ixpk= 332, nxpk= 15, iat=1048,1052, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 HIS HB+ 68 ALA HN 3.50 (# 333:15 Unique 2.36, 3.71 A)
&rst
ixpk= 333, nxpk= 15, iat= -1,1052, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1039,1040,
&end
#
# 67 HIS HB- 68 ALA HN 3.50 (# 334:15 Unique 2.36, 3.71 A)
&rst
ixpk= 334, nxpk= 15, iat= -1,1052, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1039,1040,
&end
#
# 68 ALA MB 68 ALA HN 3.50 (# 335:15 Unique 2.36, 3.27 A)
&rst
ixpk= 335, nxpk= 15, iat= -1,1052, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1056,1057,1058,
&end
#
# 68 ALA HA 68 ALA HN 3.50 (# 337:15 Unique 2.90, 2.96 A)
&rst
ixpk= 337, nxpk= 15, iat=1054,1052, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 MET HA 65 MET HN 4.50 (# 339:15 Unique 2.89, 2.92 A)
&rst
ixpk= 339, nxpk= 15, iat=1006,1004, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 MET HG- 65 MET HN 5.50 (# 340:15 Unique 4.45, 4.75 A)
&rst
ixpk= 340, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1011,1012,
&end
#
# 65 MET ME 65 MET HN 5.50 (# 341:15 Unique 4.75, 5.75 A)
&rst
ixpk= 341, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1015,1016,1017,
&end
#
# 46 ILE QD1 68 ALA HN 4.50 (# 342:15 Unique 2.29, 4.16 A)
&rst
ixpk= 342, nxpk= 15, iat= -1,1052, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 734, 735, 736,
&end
#
# 104 SER HA 68 ALA HN 5.50 (# 343:15 Unique 4.15, 4.66 A)
&rst
ixpk= 343, nxpk= 15, iat=1602,1052, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 LEU HN 30 VAL HN 5.50 (# 344:15 Unique 4.36, 4.47 A)
&rst
ixpk= 344, nxpk= 15, iat= 488, 461, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 GLU HN 124 GLU HN 5.50 (# 345:15 Unique 3.74, 3.81 A)
&rst
ixpk= 345, nxpk= 15, iat=1884,1869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 CYS HN 124 GLU HN 2.80 (# 346:15 Unique 2.47, 2.57 A)
&rst
ixpk= 346, nxpk= 15, iat=1858,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 GLU HA 124 GLU HN 2.80 (# 347:15 Unique 2.94, 2.95 A)
&rst
ixpk= 347, nxpk= 15, iat=1871,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 122 LEU HA 124 GLU HN 4.50 (# 348:15 Unique 3.58, 3.69 A)
&rst
ixpk= 348, nxpk= 15, iat=1841,1869, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 CYS HB+ 124 GLU HN 4.50 (# 349:15 Unique 4.11, 4.35 A)
&rst
ixpk= 349, nxpk= 15, iat= -1,1869, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1862,1863,
&end
#
# 124 GLU HG- 124 GLU HN 5.50 (# 350:15 Unique 3.42, 4.32 A)
&rst
ixpk= 350, nxpk= 15, iat= -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1876,1877,
&end
#
# 124 GLU HB+ 124 GLU HN 2.80 (# 351:15 Unique 2.62, 3.14 A)
&rst
ixpk= 351, nxpk= 15, iat= -1,1869, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1873,1874,
&end
#
# 127 ILE HG1- 124 GLU HN 5.50 (# 352:15 Unique 5.54, 6.33 A)
&rst
ixpk= 352, nxpk= 15, iat= -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1924,1925,
&end
#
# 0 AMB 15-2:353 124 GLU HN 4.50 (# 353:15 Single Ambig)
&rst
ixpk= 353, nxpk= 15, iat= -1,1869, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1920,1921,1922,1927,1928,1929, 984, 985, 986, 988,
989, 990,
&end
#
# 57 TYR HB+ 65 MET HN 4.50 (# 354:15 Unique 2.37, 3.70 A)
&rst
ixpk= 354, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 892, 893,
&end
#
# 66 PRO HD+ 65 MET HN 5.50 (# 355:15 Unique 2.85, 3.73 A)
&rst
ixpk= 355, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1022,1023,
&end
#
# 57 TYR HB- 65 MET HN 4.50 (# 356:15 Unique 2.37, 3.70 A)
&rst
ixpk= 356, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 892, 893,
&end
#
# 65 MET HB- 65 MET HN 3.50 (# 357:15 Unique 2.78, 3.13 A)
&rst
ixpk= 357, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1008,1009,
&end
#
# 64 ALA HA 65 MET HN 2.80 (# 358:15 Unique 2.36, 2.42 A)
&rst
ixpk= 358, nxpk= 15, iat= 996,1004, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 ILE HA 65 MET HN 4.50 (# 359:15 Unique 3.24, 3.57 A)
&rst
ixpk= 359, nxpk= 15, iat= 911,1004, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 MET HB+ 65 MET HN 3.50 (# 360:15 Unique 2.78, 3.13 A)
&rst
ixpk= 360, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1008,1009,
&end
#
# 64 ALA MB 65 MET HN 3.50 (# 361:15 Unique 2.25, 3.21 A)
&rst
ixpk= 361, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 998, 999,1000,
&end
#
# 59 LEU MDY 65 MET HN 4.50 (# 362:15 Unique 2.88, 4.98 A)
&rst
ixpk= 362, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 59 LEU MDX 65 MET HN 4.50 (# 363:15 Unique 2.88, 4.98 A)
&rst
ixpk= 363, nxpk= 15, iat= -1,1004, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 937, 938, 939, 941, 942, 943,
&end
#
# 78 GLY HN 104 SER HN 4.50 (# 364:15 Unique 2.61, 2.72 A)
&rst
ixpk= 364, nxpk= 15, iat=1198,1600, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:365 0 AMB 15-1:365 4.50 (# 365:15 Double Ambig)
&rst
ixpk= 365, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1611,1222,
igr2=1600,1233,
&end
#
# 103 LEU HA 104 SER HN 2.80 (# 366:15 Unique 2.20, 2.26 A)
&rst
ixpk= 366, nxpk= 15, iat=1583,1600, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 104 SER HB- 104 SER HN 4.50 (# 367:15 Unique 2.92, 3.60 A)
&rst
ixpk= 367, nxpk= 15, iat= -1,1600, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 0 AMB 15-2:368 104 SER HN 3.50 (# 368:15 Single Ambig)
&rst
ixpk= 368, nxpk= 15, iat= -1,1600, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1588,1585,1586,
&end
#
# 103 LEU MDY 104 SER HN 2.80 (# 369:15 Unique 1.87, 4.20 A)
&rst
ixpk= 369, nxpk= 15, iat= -1,1600, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU MDX 104 SER HN 4.50 (# 370:15 Unique 1.87, 4.20 A)
&rst
ixpk= 370, nxpk= 15, iat= -1,1600, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 29 MET HN 30 VAL HN 2.80 (# 371:15 Unique 2.07, 2.22 A)
&rst
ixpk= 371, nxpk= 15, iat= 444, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:372 30 VAL HN 4.50 (# 372:15 Single Ambig)
&rst
ixpk= 372, nxpk= 15, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 415, 435,
&end
#
# 30 VAL HA 30 VAL HN 2.80 (# 373:15 Unique 2.67, 2.71 A)
&rst
ixpk= 373, nxpk= 15, iat= 463, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:374 30 VAL HN 5.50 (# 374:15 Single Ambig)
&rst
ixpk= 374, nxpk= 15, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 451, 452, 405, 406,
&end
#
# 30 VAL HB 30 VAL HN 2.80 (# 375:15 Unique 2.38, 2.42 A)
&rst
ixpk= 375, nxpk= 15, iat= 465, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:376 30 VAL HN 4.50 (# 376:15 Single Ambig)
&rst
ixpk= 376, nxpk= 15, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 448, 449, 685, 686,
&end
#
# 29 MET HB+ 30 VAL HN 4.50 (# 377:15 Unique 3.16, 3.73 A)
&rst
ixpk= 377, nxpk= 15, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 448, 449,
&end
#
# 0 AMB 15-2:378 30 VAL HN 5.50 (# 378:15 Single Ambig)
&rst
ixpk= 378, nxpk= 15, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 0 AMB 15-2:379 30 VAL HN 5.50 (# 379:15 Single Ambig)
&rst
ixpk= 379, nxpk= 15, iat= -1, 461, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 516, 517, 518, 520, 521, 522, 681, 682, 683, 514,
&end
#
# 124 GLU HG+ 124 GLU HN 5.50 (# 380:15 Unique 3.42, 4.32 A)
&rst
ixpk= 380, nxpk= 15, iat= -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1876,1877,
&end
#
# 11 SER HB+ 81 LEU HN 4.50 (# 381:15 Unique 3.43, 4.38 A)
&rst
ixpk= 381, nxpk= 15, iat= -1,1233, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 172, 173,
&end
#
# 79 MET HG+ 104 SER HN 5.50 (# 382:15 Unique 3.29, 3.87 A)
&rst
ixpk= 382, nxpk= 15, iat= -1,1600, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1212,1213,
&end
#
# 0 AMB 15-2:383 0 AMB 15-1:383 3.50 (# 383:15 Double Ambig)
&rst
ixpk= 383, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1226,1227,1604,1605,
igr2=1233,1600,
&end
#
# 115 ILE HG1- 116 GLN HN 4.50 (# 384:15 Unique 4.62, 4.83 A)
&rst
ixpk= 384, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1739,1740,
&end
#
# 31 SER HN 30 VAL HN 3.50 (# 386:15 Unique 3.08, 3.14 A)
&rst
ixpk= 386, nxpk= 15, iat= 477, 461, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 MET HA 30 VAL HN 4.50 (# 387:15 Unique 3.42, 3.49 A)
&rst
ixpk= 387, nxpk= 15, iat= 446, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 138 LYS HN 137 GLU HN 3.50 (# 388:15 Unique 2.50, 2.81 A)
&rst
ixpk= 388, nxpk= 15, iat=2083,2068, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 136 SER HN 137 GLU HN 5.50 (# 389:15 Unique 4.21, 4.31 A)
&rst
ixpk= 389, nxpk= 15, iat=2057,2068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 SER HB+ 137 GLU HN 3.50 (# 392:15 Unique 2.58, 3.31 A)
&rst
ixpk= 392, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2061,2062,
&end
#
# 136 SER HB- 137 GLU HN 4.50 (# 393:15 Unique 2.58, 3.31 A)
&rst
ixpk= 393, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2061,2062,
&end
#
# 137 GLU HA 137 GLU HN 3.50 (# 394:15 Unique 2.75, 2.80 A)
&rst
ixpk= 394, nxpk= 15, iat=2070,2068, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 137 GLU HG- 137 GLU HN 4.50 (# 395:15 Unique 2.09, 3.50 A)
&rst
ixpk= 395, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2075,2076,
&end
#
# 137 GLU HB- 137 GLU HN 3.50 (# 396:15 Unique 2.13, 2.87 A)
&rst
ixpk= 396, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2072,2073,
&end
#
# 137 GLU HB+ 137 GLU HN 3.50 (# 397:15 Unique 2.13, 2.87 A)
&rst
ixpk= 397, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2072,2073,
&end
#
# 0 AMB 15-2:398 137 GLU HN 4.50 (# 398:15 Single Ambig)
&rst
ixpk= 398, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 213,2087,2088,
&end
#
# 14 VAL MGY 137 GLU HN 3.50 (# 399:15 Unique 2.93, 4.84 A)
&rst
ixpk= 399, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 215, 216, 217, 219, 220, 221,
&end
#
# 0 AMB 15-2:401 0 AMB 15-1:401 2.80 (# 401:15 Double Ambig)
&rst
ixpk= 401, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 181,1207,
igr2=1233,1600,
&end
#
# 80 SER HA 81 LEU HN 2.80 (# 402:15 Unique 2.29, 2.42 A)
&rst
ixpk= 402, nxpk= 15, iat=1224,1233, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:403 0 AMB 15-1:403 2.80 (# 403:15 Double Ambig)
&rst
ixpk= 403, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1226,1227,1602,
igr2=1233,1600,
&end
#
# 81 LEU HB+ 81 LEU HN 3.50 (# 404:15 Unique 2.32, 2.93 A)
&rst
ixpk= 404, nxpk= 15, iat= -1,1233, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1237,1238,
&end
#
# 0 AMB 15-2:405 81 LEU HN 4.50 (# 405:15 Single Ambig)
&rst
ixpk= 405, nxpk= 15, iat= -1,1233, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 172, 173, 129, 130,
&end
#
# 11 SER HA 9 GLU HN 5.50 (# 407:15 Unique 4.29, 5.56 A)
&rst
ixpk= 407, nxpk= 15, iat= 170, 142, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 LYS HE+ 9 GLU HN 5.50 (# 408:15 Unique 2.32, 3.60 A)
&rst
ixpk= 408, nxpk= 15, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 551, 552,
&end
#
# 8 PRO HG+ 9 GLU HN 5.50 (# 409:15 Unique 2.07, 4.27 A)
&rst
ixpk= 409, nxpk= 15, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 132, 133,
&end
#
# 8 PRO HA 9 GLU HN 3.50 (# 410:15 Unique 2.12, 2.75 A)
&rst
ixpk= 410, nxpk= 15, iat= 138, 142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 GLU HA 9 GLU HN 3.50 (# 411:15 Unique 2.27, 2.91 A)
&rst
ixpk= 411, nxpk= 15, iat= 144, 142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 GLU HG+ 9 GLU HN 4.50 (# 412:15 Unique 3.95, 4.44 A)
&rst
ixpk= 412, nxpk= 15, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 149, 150,
&end
#
# 8 PRO HB+ 9 GLU HN 3.50 (# 413:15 Unique 1.82, 2.70 A)
&rst
ixpk= 413, nxpk= 15, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 135, 136,
&end
#
# 107 ASP HB- 108 ALA HN 4.50 (# 415:15 Unique 3.82, 3.92 A)
&rst
ixpk= 415, nxpk= 15, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1635,1636,
&end
#
# 109 ASP HN 108 ALA HN 3.50 (# 416:15 Unique 2.84, 2.86 A)
&rst
ixpk= 416, nxpk= 15, iat=1653,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 ASP HA 108 ALA HN 3.50 (# 417:15 Unique 2.30, 2.35 A)
&rst
ixpk= 417, nxpk= 15, iat=1633,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 ALA HA 108 ALA HN 3.50 (# 418:15 Unique 2.79, 2.80 A)
&rst
ixpk= 418, nxpk= 15, iat=1645,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 ASP HB+ 108 ALA HN 3.50 (# 419:15 Unique 3.82, 3.92 A)
&rst
ixpk= 419, nxpk= 15, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1635,1636,
&end
#
# 108 ALA MB 108 ALA HN 2.80 (# 420:15 Unique 2.49, 2.87 A)
&rst
ixpk= 420, nxpk= 15, iat= -1,1643, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1647,1648,1649,
&end
#
# 62 GLY HN 63 VAL HN 3.50 (# 421:15 Unique 2.44, 2.64 A)
&rst
ixpk= 421, nxpk= 15, iat= 971, 978, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:422 63 VAL HN 3.50 (# 422:15 Single Ambig)
&rst
ixpk= 422, nxpk= 15, iat= -1, 978, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 947, 928,
&end
#
# 63 VAL HA 63 VAL HN 3.50 (# 423:15 Unique 2.97, 2.98 A)
&rst
ixpk= 423, nxpk= 15, iat= 980, 978, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 VAL HB 63 VAL HN 2.80 (# 424:15 Unique 2.58, 2.66 A)
&rst
ixpk= 424, nxpk= 15, iat= 982, 978, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 VAL MGX 63 VAL HN 3.50 (# 425:15 Unique 2.72, 4.19 A)
&rst
ixpk= 425, nxpk= 15, iat= -1, 978, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 984, 985, 986, 988, 989, 990,
&end
#
# 63 VAL MGY 63 VAL HN 4.50 (# 426:15 Unique 2.72, 4.19 A)
&rst
ixpk= 426, nxpk= 15, iat= -1, 978, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 984, 985, 986, 988, 989, 990,
&end
#
# 97 ILE QD1 63 VAL HN 3.50 (# 427:15 Unique 2.66, 3.86 A)
&rst
ixpk= 427, nxpk= 15, iat= -1, 978, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1489,1490,1491,
&end
#
# 37 TYR HD 77 THR HN 5.50 (# 428:15 Unique 3.68, 5.94 A)
&rst
ixpk= 428, nxpk= 15, iat= -1,1184, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 582, 591,
&end
#
# 0 AMB 15-2:430 0 AMB 15-1:430 3.50 (# 430:15 Double Ambig)
&rst
ixpk= 430, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1190,1191,1192,1524,1502,1503,
igr2=1184, 978,
&end
#
# 106 ALA HN 77 THR HN 5.50 (# 431:15 Unique 3.42, 3.55 A)
&rst
ixpk= 431, nxpk= 15, iat=1621,1184, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 THR HA 77 THR HN 3.50 (# 432:15 Unique 2.84, 2.87 A)
&rst
ixpk= 432, nxpk= 15, iat=1186,1184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:433 0 AMB 15-1:433 2.80 (# 433:15 Double Ambig)
&rst
ixpk= 433, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1164, 973, 974,
igr2=1184, 978,
&end
#
# 77 THR HB 77 THR HN 2.80 (# 434:15 Unique 2.23, 2.27 A)
&rst
ixpk= 434, nxpk= 15, iat=1188,1184, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 LYS HB+ 77 THR HN 3.50 (# 435:15 Unique 2.46, 3.20 A)
&rst
ixpk= 435, nxpk= 15, iat= -1,1184, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1166,1167,
&end
#
# 106 ALA MB 77 THR HN 3.50 (# 436:15 Unique 3.45, 4.33 A)
&rst
ixpk= 436, nxpk= 15, iat= -1,1184, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1625,1626,1627,
&end
#
# 116 GLN HA 116 GLN HN 3.50 (# 437:15 Unique 2.83, 2.85 A)
&rst
ixpk= 437, nxpk= 15, iat=1750,1748, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:438 116 GLN HN 5.50 (# 438:15 Single Ambig)
&rst
ixpk= 438, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1695,1721,
&end
#
# 115 ILE HA 116 GLN HN 4.50 (# 439:15 Unique 3.57, 3.61 A)
&rst
ixpk= 439, nxpk= 15, iat=1731,1748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 GLN HG+ 116 GLN HN 3.50 (# 440:15 Unique 2.34, 3.00 A)
&rst
ixpk= 440, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1755,1756,
&end
#
# 116 GLN HG- 116 GLN HN 4.50 (# 441:15 Unique 2.34, 3.00 A)
&rst
ixpk= 441, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1755,1756,
&end
#
# 116 GLN HB+ 116 GLN HN 2.80 (# 442:15 Unique 2.28, 2.94 A)
&rst
ixpk= 442, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1752,1753,
&end
#
# 116 GLN HB- 116 GLN HN 2.80 (# 443:15 Unique 2.28, 2.94 A)
&rst
ixpk= 443, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1752,1753,
&end
#
# 115 ILE HB 116 GLN HN 3.50 (# 444:15 Unique 2.54, 2.63 A)
&rst
ixpk= 444, nxpk= 15, iat=1733,1748, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:445 116 GLN HN 4.50 (# 445:15 Single Ambig)
&rst
ixpk= 445, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1739,1740,1723,1724,1725,
&end
#
# 112 ILE QG2 116 GLN HN 4.50 (# 446:15 Unique 4.47, 5.18 A)
&rst
ixpk= 446, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1699,1700,1701,
&end
#
# 115 ILE QG2 116 GLN HN 4.50 (# 447:15 Unique 2.74, 3.73 A)
&rst
ixpk= 447, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1735,1736,1737,
&end
#
# 115 ILE HN 116 GLN HN 2.80 (# 448:15 Unique 2.69, 2.78 A)
&rst
ixpk= 448, nxpk= 15, iat=1729,1748, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 113 GLY HA- 116 GLN HN 4.50 (# 449:15 Unique 3.32, 4.15 A)
&rst
ixpk= 449, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1714,1715,
&end
#
# 0 AMB 15-2:450 116 GLN HN 4.50 (# 450:15 Single Ambig)
&rst
ixpk= 450, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1769,1770,1771,1779,1780,
&end
#
# 0 AMB 15-2:451 116 GLN HN 5.50 (# 451:15 Single Ambig)
&rst
ixpk= 451, nxpk= 15, iat= -1,1748, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
&end
#
# 81 LEU HB- 81 LEU HN 3.50 (# 452:15 Unique 2.32, 2.93 A)
&rst
ixpk= 452, nxpk= 15, iat= -1,1233, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1237,1238,
&end
#
# 7 PHE HD 81 LEU HN 4.50 (# 453:15 Unique 3.36, 5.64 A)
&rst
ixpk= 453, nxpk= 15, iat= -1,1233, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 116, 124,
&end
#
# 101 ILE QD1 81 LEU HN 5.50 (# 455:15 Unique 5.95, 6.95 A)
&rst
ixpk= 455, nxpk= 15, iat= -1,1233, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1568,1569,1570,
&end
#
# 2 ARG HA 1 MET HN 5.50 (# 456:15 Unique 3.93, 5.36 A)
&rst
ixpk= 456, nxpk= 15, iat= 23, 2, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 1 MET HA 1 MET HN 4.50 (# 457:15 Unique 3.18, 4.32 A)
&rst
ixpk= 457, nxpk= 15, iat= 6, 2, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 GLU HG- 1 MET HN 3.50 (# 461:15 Unique 1.91, 2.95 A)
&rst
ixpk= 461, nxpk= 15, iat= -1, 2, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1812,1813,
&end
#
# 1 MET HB+ 1 MET HN 3.50 (# 462:15 Unique 3.23, 4.19 A)
&rst
ixpk= 462, nxpk= 15, iat= -1, 2, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 8, 9,
&end
#
# 18 ALA HN 19 LYS HN 5.50 (# 463:15 Unique 4.43, 4.50 A)
&rst
ixpk= 463, nxpk= 15, iat= 272, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 VAL HN 97 ILE HN 3.50 (# 464:15 Unique 2.70, 3.48 A)
&rst
ixpk= 464, nxpk= 15, iat=1343,1476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 PHE HD 97 ILE HN 5.50 (# 465:15 Unique 4.29, 6.55 A)
&rst
ixpk= 465, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1388,1396,
&end
#
# 87 GLY HA- 97 ILE HN 5.50 (# 466:15 Unique 2.16, 3.31 A)
&rst
ixpk= 466, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1338,1339,
&end
#
# 96 PRO HB+ 97 ILE HN 3.50 (# 467:15 Unique 2.30, 3.55 A)
&rst
ixpk= 467, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1469,1470,
&end
#
# 0 AMB 15-2:468 97 ILE HN 3.50 (# 468:15 Single Ambig)
&rst
ixpk= 468, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1489,1490,1491,1482,1483,1484,
&end
#
# 97 ILE HG1- 97 ILE HN 3.50 (# 470:15 Unique 2.17, 3.21 A)
&rst
ixpk= 470, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1486,1487,
&end
#
# 0 AMB 15-2:471 117 ALA HN 2.80 (# 471:15 Single Ambig)
&rst
ixpk= 471, nxpk= 15, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1775,1748,
&end
#
# 117 ALA HA 117 ALA HN 2.80 (# 472:15 Unique 2.92, 2.93 A)
&rst
ixpk= 472, nxpk= 15, iat=1767,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 ALA HA 117 ALA HN 3.50 (# 473:15 Unique 3.36, 3.47 A)
&rst
ixpk= 473, nxpk= 15, iat=1721,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:474 117 ALA HN 5.50 (# 474:15 Single Ambig)
&rst
ixpk= 474, nxpk= 15, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1755,1756, 91, 92,
&end
#
# 116 GLN HB- 117 ALA HN 3.50 (# 475:15 Unique 3.43, 3.87 A)
&rst
ixpk= 475, nxpk= 15, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1752,1753,
&end
#
# 0 AMB 15-2:476 0 AMB 15-1:476 2.80 (# 476:15 Double Ambig)
&rst
ixpk= 476, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1769,1770,1771,1190,1191,1192,
igr2=1765,1621,
&end
#
# 20 ASP HN 19 LYS HN 3.50 (# 477:15 Unique 2.56, 2.74 A)
&rst
ixpk= 477, nxpk= 15, iat= 304, 282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ALA HA 19 LYS HN 2.80 (# 478:15 Unique 2.22, 2.34 A)
&rst
ixpk= 478, nxpk= 15, iat= 274, 282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 LYS HA 19 LYS HN 3.50 (# 479:15 Unique 2.79, 2.82 A)
&rst
ixpk= 479, nxpk= 15, iat= 284, 282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:480 19 LYS HN 3.50 (# 480:15 Single Ambig)
&rst
ixpk= 480, nxpk= 15, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 364, 365, 361, 362,
&end
#
# 19 LYS HB+ 19 LYS HN 3.50 (# 481:15 Unique 2.03, 2.43 A)
&rst
ixpk= 481, nxpk= 15, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 286, 287,
&end
#
# 0 AMB 15-2:482 19 LYS HN 3.50 (# 482:15 Single Ambig)
&rst
ixpk= 482, nxpk= 15, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 364, 365, 286, 287,
&end
#
# 19 LYS HG- 19 LYS HN 4.50 (# 483:15 Unique 2.47, 4.37 A)
&rst
ixpk= 483, nxpk= 15, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 289, 290,
&end
#
# 0 AMB 15-2:484 19 LYS HN 3.50 (# 484:15 Single Ambig)
&rst
ixpk= 484, nxpk= 15, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 276, 277, 278, 289, 290,
&end
#
# 96 PRO HB- 97 ILE HN 4.50 (# 485:15 Unique 2.30, 3.55 A)
&rst
ixpk= 485, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1469,1470,
&end
#
# 87 GLY HA+ 97 ILE HN 5.50 (# 486:15 Unique 2.16, 3.31 A)
&rst
ixpk= 486, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1338,1339,
&end
#
# 96 PRO HA 97 ILE HN 2.80 (# 487:15 Unique 2.24, 2.33 A)
&rst
ixpk= 487, nxpk= 15, iat=1472,1476, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 ILE HB 97 ILE HN 2.80 (# 488:15 Unique 2.39, 2.56 A)
&rst
ixpk= 488, nxpk= 15, iat=1480,1476, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 ILE HG1+ 97 ILE HN 3.50 (# 489:15 Unique 2.17, 3.21 A)
&rst
ixpk= 489, nxpk= 15, iat= -1,1476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1486,1487,
&end
#
# 0 AMB 15-2:490 14 VAL HN 2.80 (# 490:15 Single Ambig)
&rst
ixpk= 490, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 200, 211,
&end
#
# 13 SER HB+ 14 VAL HN 3.50 (# 491:15 Unique 2.58, 3.43 A)
&rst
ixpk= 491, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 202, 203,
&end
#
# 13 SER HB- 14 VAL HN 3.50 (# 492:15 Unique 2.58, 3.43 A)
&rst
ixpk= 492, nxpk= 15, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 202, 203,
&end
#
# 14 VAL HB 14 VAL HN 2.80 (# 493:15 Unique 2.45, 2.54 A)
&rst
ixpk= 493, nxpk= 15, iat= 213, 209, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 SER HN 14 VAL HN 5.50 (# 494:15 Unique 3.72, 4.19 A)
&rst
ixpk= 494, nxpk= 15, iat= 198, 209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 ALA HA 106 ALA HN 2.80 (# 497:15 Unique 2.87, 2.89 A)
&rst
ixpk= 497, nxpk= 15, iat=1623,1621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 21 TRP HD1 22 GLN HN 4.50 (# 498:15 Unique 2.57, 4.06 A)
&rst
ixpk= 498, nxpk= 15, iat= 324, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 88 VAL MGY 22 GLN HN 5.50 (# 499:15 Unique 5.08, 7.18 A)
&rst
ixpk= 499, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 0 AMB 15-2:500 18 ALA HN 5.50 (# 500:15 Single Ambig)
&rst
ixpk= 500, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 261, 304,
&end
#
# 18 ALA HA 18 ALA HN 3.50 (# 501:15 Unique 2.95, 2.98 A)
&rst
ixpk= 501, nxpk= 15, iat= 274, 272, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HA 18 ALA HN 2.80 (# 504:15 Unique 2.27, 2.42 A)
&rst
ixpk= 504, nxpk= 15, iat= 263, 272, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 17 SER HB+ 18 ALA HN 2.80 (# 505:15 Unique 2.57, 3.27 A)
&rst
ixpk= 505, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 265, 266,
&end
#
# 0 AMB 15-2:506 18 ALA HN 5.50 (# 506:15 Single Ambig)
&rst
ixpk= 506, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1323,1324, 364, 365,
&end
#
# 84 LEU HB+ 18 ALA HN 5.50 (# 507:15 Unique 3.42, 5.52 A)
&rst
ixpk= 507, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1289,1290,
&end
#
# 18 ALA MB 18 ALA HN 3.50 (# 508:15 Unique 2.42, 3.11 A)
&rst
ixpk= 508, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 276, 277, 278,
&end
#
# 88 VAL MGX 18 ALA HN 4.50 (# 509:15 Unique 1.68, 3.67 A)
&rst
ixpk= 509, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 84 LEU MDX 18 ALA HN 4.50 (# 510:15 Unique 1.97, 4.59 A)
&rst
ixpk= 510, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 0 AMB 15-2:511 18 ALA HN 5.50 (# 511:15 Single Ambig)
&rst
ixpk= 511, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 306,1321,
&end
#
# 17 SER HB- 18 ALA HN 3.50 (# 512:15 Unique 2.57, 3.27 A)
&rst
ixpk= 512, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 265, 266,
&end
#
# 88 VAL HB 18 ALA HN 5.50 (# 513:15 Unique 2.59, 3.59 A)
&rst
ixpk= 513, nxpk= 15, iat=1347, 272, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:514 85 GLU HN 5.50 (# 514:15 Single Ambig)
&rst
ixpk= 514, nxpk= 15, iat= -1,1304, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1275,1276,1277,1279,1280,1281,1292,
&end
#
# 0 AMB 15-2:515 0 AMB 15-1:515 2.80 (# 515:15 Double Ambig)
&rst
ixpk= 515, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 215, 216, 217, 219, 220, 221,1294,1295,1296,1298,
1299,1300,
igr2= 209,1304,
&end
#
# 107 ASP HN 106 ALA HN 3.50 (# 516:15 Unique 2.44, 2.52 A)
&rst
ixpk= 516, nxpk= 15, iat=1631,1621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 ALA HA 106 ALA HN 2.80 (# 517:15 Unique 2.18, 2.20 A)
&rst
ixpk= 517, nxpk= 15, iat=1613,1621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:519 0 AMB 15-1:519 5.50 (# 519:15 Double Ambig)
&rst
ixpk= 519, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1164,1602,1226,1227,
igr2=1621,1581,
&end
#
# 106 ALA MB 106 ALA HN 2.80 (# 520:15 Unique 2.47, 2.91 A)
&rst
ixpk= 520, nxpk= 15, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1625,1626,1627,
&end
#
# 20 ASP HN 22 GLN HN 5.50 (# 521:15 Unique 4.68, 4.80 A)
&rst
ixpk= 521, nxpk= 15, iat= 304, 340, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HN 22 GLN HN 4.50 (# 522:15 Unique 2.38, 2.70 A)
&rst
ixpk= 522, nxpk= 15, iat= 316, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 GLU HN 22 GLN HN 3.50 (# 523:15 Unique 2.65, 2.75 A)
&rst
ixpk= 523, nxpk= 15, iat= 357, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 ALA HN 22 GLN HN 5.50 (# 524:15 Unique 3.84, 3.98 A)
&rst
ixpk= 524, nxpk= 15, iat= 372, 340, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:526 22 GLN HN 5.50 (# 526:15 Single Ambig)
&rst
ixpk= 526, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 306,1382,
&end
#
# 21 TRP HA 22 GLN HN 4.50 (# 527:15 Unique 3.56, 3.59 A)
&rst
ixpk= 527, nxpk= 15, iat= 318, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASP HB+ 22 GLN HN 4.50 (# 528:15 Unique 2.53, 3.63 A)
&rst
ixpk= 528, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 308, 309,
&end
#
# 22 GLN HB+ 22 GLN HN 2.80 (# 529:15 Unique 2.37, 3.03 A)
&rst
ixpk= 529, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 344, 345,
&end
#
# 22 GLN HG- 22 GLN HN 3.50 (# 530:15 Unique 2.04, 2.89 A)
&rst
ixpk= 530, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 347, 348,
&end
#
# 20 ASP HB- 22 GLN HN 4.50 (# 532:15 Unique 2.53, 3.63 A)
&rst
ixpk= 532, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 308, 309,
&end
#
# 22 GLN HA 22 GLN HN 3.50 (# 533:15 Unique 2.83, 2.87 A)
&rst
ixpk= 533, nxpk= 15, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HB+ 22 GLN HN 5.50 (# 534:15 Unique 3.21, 3.98 A)
&rst
ixpk= 534, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 320, 321,
&end
#
# 0 AMB 15-2:535 22 GLN HN 4.50 (# 535:15 Single Ambig)
&rst
ixpk= 535, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 392, 393, 361, 362,
&end
#
# 22 GLN HB- 22 GLN HN 3.50 (# 536:15 Unique 2.37, 3.03 A)
&rst
ixpk= 536, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 344, 345,
&end
#
# 22 GLN HG+ 22 GLN HN 4.50 (# 537:15 Unique 2.04, 2.89 A)
&rst
ixpk= 537, nxpk= 15, iat= -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 347, 348,
&end
#
# 19 LYS HN 18 ALA HN 5.50 (# 538:15 Unique 4.43, 4.50 A)
&rst
ixpk= 538, nxpk= 15, iat= 282, 272, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ILE HN 0 AMB 15-1:539 4.50 (# 539:15 Single Ambig)
&rst
ixpk= 539, nxpk= 15, iat= 225, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1304, 209,
&end
#
# 86 GLN HN 85 GLU HN 3.50 (# 540:15 Unique 2.66, 2.81 A)
&rst
ixpk= 540, nxpk= 15, iat=1319,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 LEU HA 85 GLU HN 2.80 (# 541:15 Unique 2.10, 2.18 A)
&rst
ixpk= 541, nxpk= 15, iat=1287,1304, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 HIS HA 85 GLU HN 3.50 (# 542:15 Unique 2.89, 3.24 A)
&rst
ixpk= 542, nxpk= 15, iat= 246,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:543 0 AMB 15-1:543 3.50 (# 543:15 Double Ambig)
&rst
ixpk= 543, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1308,1309,2075,2076,
igr2=1304, 209,
&end
#
# 85 GLU HG+ 85 GLU HN 2.80 (# 544:15 Unique 2.07, 2.78 A)
&rst
ixpk= 544, nxpk= 15, iat= -1,1304, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1311,1312,
&end
#
# 0 AMB 15-2:545 85 GLU HN 2.80 (# 545:15 Single Ambig)
&rst
ixpk= 545, nxpk= 15, iat= -1,1304, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1311,1312,1308,1309,
&end
#
# 84 LEU HB- 85 GLU HN 5.50 (# 546:15 Unique 3.64, 4.30 A)
&rst
ixpk= 546, nxpk= 15, iat= -1,1304, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1289,1290,
&end
#
# 77 THR HA 106 ALA HN 3.50 (# 547:15 Unique 3.07, 3.19 A)
&rst
ixpk= 547, nxpk= 15, iat=1186,1621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 GLU HA 85 GLU HN 3.50 (# 548:15 Unique 2.76, 2.80 A)
&rst
ixpk= 548, nxpk= 15, iat=1306,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 LEU HB+ 85 GLU HN 4.50 (# 549:15 Unique 3.64, 4.30 A)
&rst
ixpk= 549, nxpk= 15, iat= -1,1304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1289,1290,
&end
#
# 17 SER HA 85 GLU HN 5.50 (# 550:15 Unique 4.39, 4.75 A)
&rst
ixpk= 550, nxpk= 15, iat= 263,1304, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 GLN HN 128 LEU HN 5.50 (# 551:15 Unique 4.17, 4.23 A)
&rst
ixpk= 551, nxpk= 15, iat=1967,1933, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 VAL HA 60 ALA HN 5.50 (# 553:15 Unique 4.77, 4.88 A)
&rst
ixpk= 553, nxpk= 15, iat= 980, 947, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 ILE QD1 60 ALA HN 5.50 (# 554:15 Unique 4.73, 6.17 A)
&rst
ixpk= 554, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1489,1490,1491,
&end
#
# 126 GLU HN 128 LEU HN 5.50 (# 555:15 Unique 3.88, 3.94 A)
&rst
ixpk= 555, nxpk= 15, iat=1899,1933, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 ILE HB 128 LEU HN 3.50 (# 556:15 Unique 2.67, 2.79 A)
&rst
ixpk= 556, nxpk= 15, iat=1918,1933, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:557 128 LEU HN 4.50 (# 557:15 Single Ambig)
&rst
ixpk= 557, nxpk= 15, iat= -1,1933, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1903,1904,1888,1889,
&end
#
# 127 ILE HN 128 LEU HN 2.80 (# 558:15 Unique 2.48, 2.54 A)
&rst
ixpk= 558, nxpk= 15, iat=1914,1933, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:559 128 LEU HN 2.80 (# 559:15 Single Ambig)
&rst
ixpk= 559, nxpk= 15, iat= -1,1933, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1935,1886,
&end
#
# 127 ILE HA 128 LEU HN 4.50 (# 560:15 Unique 3.58, 3.61 A)
&rst
ixpk= 560, nxpk= 15, iat=1916,1933, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 128 LEU HB- 128 LEU HN 2.80 (# 561:15 Unique 2.40, 3.11 A)
&rst
ixpk= 561, nxpk= 15, iat= -1,1933, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1937,1938,
&end
#
# 0 AMB 15-2:562 128 LEU HN 2.80 (# 562:15 Single Ambig)
&rst
ixpk= 562, nxpk= 15, iat= -1,1933, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1940,1937,1938,
&end
#
# 0 AMB 15-2:563 128 LEU HN 3.50 (# 563:15 Single Ambig)
&rst
ixpk= 563, nxpk= 15, iat= -1,1933, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948,
&end
#
# 0 AMB 15-2:564 128 LEU HN 3.50 (# 564:15 Single Ambig)
&rst
ixpk= 564, nxpk= 15, iat= -1,1933, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1920,1921,1922,1927,1928,1929,
&end
#
# 102 GLY HA- 103 LEU HN 2.80 (# 566:15 Unique 2.25, 2.61 A)
&rst
ixpk= 566, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1576,1577,
&end
#
# 67 HIS HB+ 103 LEU HN 3.50 (# 567:15 Unique 2.01, 2.91 A)
&rst
ixpk= 567, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1039,1040,
&end
#
# 102 GLY HA+ 103 LEU HN 4.50 (# 568:15 Unique 2.25, 2.61 A)
&rst
ixpk= 568, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1576,1577,
&end
#
# 65 MET HG- 103 LEU HN 5.50 (# 569:15 Unique 4.38, 5.19 A)
&rst
ixpk= 569, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1011,1012,
&end
#
# 29 MET ME 103 LEU HN 3.50 (# 570:15 Unique 2.12, 3.48 A)
&rst
ixpk= 570, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 455, 456, 457,
&end
#
# 0 AMB 15-2:571 103 LEU HN 5.50 (# 571:15 Single Ambig)
&rst
ixpk= 571, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1212,1213,1028,1029,
&end
#
# 103 LEU HB- 103 LEU HN 2.80 (# 572:15 Unique 2.83, 3.11 A)
&rst
ixpk= 572, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1585,1586,
&end
#
# 103 LEU MDY 103 LEU HN 4.50 (# 573:15 Unique 4.42, 5.47 A)
&rst
ixpk= 573, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 103 LEU MDX 103 LEU HN 4.50 (# 574:15 Unique 4.42, 5.47 A)
&rst
ixpk= 574, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 67 HIS HB- 103 LEU HN 5.50 (# 575:15 Unique 2.01, 2.91 A)
&rst
ixpk= 575, nxpk= 15, iat= -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1039,1040,
&end
#
# 0 AMB 15-2:576 45 ALA HN 5.50 (# 576:15 Single Ambig)
&rst
ixpk= 576, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 677, 658, 659,
&end
#
# 0 AMB 15-2:577 45 ALA HN 4.50 (# 577:15 Single Ambig)
&rst
ixpk= 577, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 740, 649, 650, 654,
&end
#
# 46 ILE HN 45 ALA HN 3.50 (# 578:15 Unique 2.69, 2.76 A)
&rst
ixpk= 578, nxpk= 15, iat= 721, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 GLN HN 45 ALA HN 3.50 (# 579:15 Unique 2.69, 2.75 A)
&rst
ixpk= 579, nxpk= 15, iat= 694, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASN HA 45 ALA HN 4.50 (# 580:15 Unique 3.97, 4.13 A)
&rst
ixpk= 580, nxpk= 15, iat= 642, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 ALA HA 45 ALA HN 3.50 (# 581:15 Unique 2.81, 2.83 A)
&rst
ixpk= 581, nxpk= 15, iat= 713, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 GLN HA 45 ALA HN 4.50 (# 582:15 Unique 3.52, 3.54 A)
&rst
ixpk= 582, nxpk= 15, iat= 696, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:583 45 ALA HN 4.50 (# 583:15 Single Ambig)
&rst
ixpk= 583, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 701, 702, 753, 754,
&end
#
# 44 GLN HB+ 45 ALA HN 3.50 (# 584:15 Unique 3.06, 3.54 A)
&rst
ixpk= 584, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 698, 699,
&end
#
# 46 ILE HB 45 ALA HN 5.50 (# 585:15 Unique 4.55, 4.97 A)
&rst
ixpk= 585, nxpk= 15, iat= 725, 711, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ILE HG1- 45 ALA HN 5.50 (# 586:15 Unique 4.11, 5.06 A)
&rst
ixpk= 586, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 0 AMB 15-2:587 45 ALA HN 5.50 (# 587:15 Single Ambig)
&rst
ixpk= 587, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 750, 751, 747, 748,
&end
#
# 45 ALA MB 45 ALA HN 2.80 (# 588:15 Unique 2.44, 2.95 A)
&rst
ixpk= 588, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 715, 716, 717,
&end
#
# 68 ALA MB 45 ALA HN 5.50 (# 589:15 Unique 5.13, 5.61 A)
&rst
ixpk= 589, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1056,1057,1058,
&end
#
# 63 VAL HN 60 ALA HN 4.50 (# 590:15 Unique 3.17, 3.26 A)
&rst
ixpk= 590, nxpk= 15, iat= 978, 947, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 ALA HA 60 ALA HN 5.50 (# 591:15 Unique 4.06, 4.58 A)
&rst
ixpk= 591, nxpk= 15, iat= 996, 947, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 ALA HA 60 ALA HN 3.50 (# 592:15 Unique 2.86, 2.88 A)
&rst
ixpk= 592, nxpk= 15, iat= 949, 947, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:593 60 ALA HN 3.50 (# 593:15 Single Ambig)
&rst
ixpk= 593, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 930, 967,
&end
#
# 63 VAL HB 60 ALA HN 3.50 (# 594:15 Unique 2.33, 2.53 A)
&rst
ixpk= 594, nxpk= 15, iat= 982, 947, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 LEU HB+ 60 ALA HN 4.50 (# 595:15 Unique 2.60, 3.30 A)
&rst
ixpk= 595, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 932, 933,
&end
#
# 59 LEU HB- 60 ALA HN 4.50 (# 596:15 Unique 2.60, 3.30 A)
&rst
ixpk= 596, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 932, 933,
&end
#
# 60 ALA MB 60 ALA HN 3.50 (# 597:15 Unique 2.91, 3.46 A)
&rst
ixpk= 597, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 951, 952, 953,
&end
#
# 0 AMB 15-2:598 60 ALA HN 3.50 (# 598:15 Single Ambig)
&rst
ixpk= 598, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 984, 985, 986, 988, 989, 990, 937, 938, 939, 941,
942, 943,1942,1943,1944,1946,1947,1948,
&end
#
# 58 ILE QG2 60 ALA HN 2.80 (# 599:15 Unique 2.78, 3.51 A)
&rst
ixpk= 599, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 915, 916, 917,
&end
#
# 43 ILE HN 45 ALA HN 5.50 (# 600:15 Unique 3.98, 4.11 A)
&rst
ixpk= 600, nxpk= 15, iat= 675, 711, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 TYR HA 45 ALA HN 4.50 (# 601:15 Unique 3.19, 3.39 A)
&rst
ixpk= 601, nxpk= 15, iat= 656, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:602 45 ALA HN 5.50 (# 602:15 Single Ambig)
&rst
ixpk= 602, nxpk= 15, iat= -1, 711, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1119,1120, 658, 659,
&end
#
# 61 PRO HD+ 60 ALA HN 5.50 (# 604:15 Unique 4.57, 4.85 A)
&rst
ixpk= 604, nxpk= 15, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 958, 959,
&end
#
# 145 SER HN 143 ILE HN 5.50 (# 606:15 Unique 3.92, 4.05 A)
&rst
ixpk= 606, nxpk= 15, iat=2201,2163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:607 143 ILE HN 5.50 (# 607:15 Single Ambig)
&rst
ixpk= 607, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2143,2184,
&end
#
# 142 ASP HN 143 ILE HN 3.50 (# 608:15 Unique 2.61, 2.70 A)
&rst
ixpk= 608, nxpk= 15, iat=2151,2163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 142 ASP HA 143 ILE HN 4.50 (# 609:15 Unique 3.57, 3.60 A)
&rst
ixpk= 609, nxpk= 15, iat=2153,2163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 139 GLN HA 143 ILE HN 5.50 (# 610:15 Unique 3.73, 3.95 A)
&rst
ixpk= 610, nxpk= 15, iat=2107,2163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 LEU HA 143 ILE HN 4.50 (# 611:15 Unique 3.35, 3.58 A)
&rst
ixpk= 611, nxpk= 15, iat=2124,2163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 143 ILE HA 143 ILE HN 3.50 (# 612:15 Unique 2.79, 2.83 A)
&rst
ixpk= 612, nxpk= 15, iat=2165,2163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 142 ASP HB+ 143 ILE HN 3.50 (# 613:15 Unique 2.56, 3.32 A)
&rst
ixpk= 613, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2155,2156,
&end
#
# 142 ASP HB- 143 ILE HN 4.50 (# 614:15 Unique 2.56, 3.32 A)
&rst
ixpk= 614, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2155,2156,
&end
#
# 143 ILE HB 143 ILE HN 2.80 (# 615:15 Unique 2.18, 2.21 A)
&rst
ixpk= 615, nxpk= 15, iat=2167,2163, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:616 143 ILE HN 5.50 (# 616:15 Single Ambig)
&rst
ixpk= 616, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2145,2146,2147,2040,2041,2042,
&end
#
# 0 AMB 15-2:617 143 ILE HN 5.50 (# 617:15 Single Ambig)
&rst
ixpk= 617, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2192,2193,2126,2127,
&end
#
# 143 ILE HG1- 143 ILE HN 3.50 (# 618:15 Unique 2.25, 2.97 A)
&rst
ixpk= 618, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2173,2174,
&end
#
# 0 AMB 15-2:619 143 ILE HN 3.50 (# 619:15 Single Ambig)
&rst
ixpk= 619, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2176,2177,2178,2169,2170,2171,
&end
#
# 0 AMB 15-2:620 146 ARG HN 2.80 (# 620:15 Single Ambig)
&rst
ixpk= 620, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2236,2201,
&end
#
# 146 ARG HA 146 ARG HN 2.80 (# 621:15 Unique 2.70, 2.80 A)
&rst
ixpk= 621, nxpk= 15, iat=2214,2212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 145 SER HB+ 146 ARG HN 4.50 (# 622:15 Unique 2.85, 3.59 A)
&rst
ixpk= 622, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2205,2206,
&end
#
# 146 ARG HB+ 146 ARG HN 2.80 (# 623:15 Unique 1.91, 2.74 A)
&rst
ixpk= 623, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2216,2217,
&end
#
# 146 ARG HG+ 146 ARG HN 3.50 (# 624:15 Unique 1.84, 3.38 A)
&rst
ixpk= 624, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2219,2220,
&end
#
# 146 ARG HG- 146 ARG HN 3.50 (# 625:15 Unique 1.84, 3.38 A)
&rst
ixpk= 625, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2219,2220,
&end
#
# 121 LEU MDY 146 ARG HN 5.50 (# 626:15 Unique 4.69, 6.78 A)
&rst
ixpk= 626, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1829,1830,1831,1833,1834,1835,
&end
#
# 0 AMB 15-2:627 34 ASP HN 5.50 (# 627:15 Single Ambig)
&rst
ixpk= 627, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 540, 170,
&end
#
# 0 AMB 15-2:628 23 GLU HN 5.50 (# 628:15 Single Ambig)
&rst
ixpk= 628, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 374, 284,
&end
#
# 144 ILE HA 146 ARG HN 4.50 (# 629:15 Unique 3.79, 4.28 A)
&rst
ixpk= 629, nxpk= 15, iat=2184,2212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 143 ILE HA 146 ARG HN 4.50 (# 630:15 Unique 3.11, 3.44 A)
&rst
ixpk= 630, nxpk= 15, iat=2165,2212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 146 ARG HD+ 146 ARG HN 5.50 (# 631:15 Unique 4.03, 4.76 A)
&rst
ixpk= 631, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2222,2223,
&end
#
# 0 AMB 15-2:632 146 ARG HN 4.50 (# 632:15 Single Ambig)
&rst
ixpk= 632, nxpk= 15, iat= -1,2212, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1829,1830,1831,1833,1834,1835,2169,2170,2171,
&end
#
# 33 LEU HN 34 ASP HN 3.50 (# 633:15 Unique 2.74, 2.76 A)
&rst
ixpk= 633, nxpk= 15, iat= 507, 526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ASN HN 34 ASP HN 5.50 (# 634:15 Unique 3.97, 4.12 A)
&rst
ixpk= 634, nxpk= 15, iat= 560, 526, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 LYS HN 34 ASP HN 3.50 (# 635:15 Unique 2.75, 2.87 A)
&rst
ixpk= 635, nxpk= 15, iat= 538, 526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 LEU HN 34 ASP HN 5.50 (# 636:15 Unique 3.66, 3.92 A)
&rst
ixpk= 636, nxpk= 15, iat= 488, 526, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 ASP HA 34 ASP HN 3.50 (# 637:15 Unique 2.75, 2.78 A)
&rst
ixpk= 637, nxpk= 15, iat= 528, 526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:638 34 ASP HN 3.50 (# 638:15 Single Ambig)
&rst
ixpk= 638, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 509, 479,
&end
#
# 30 VAL HA 34 ASP HN 4.50 (# 639:15 Unique 3.52, 3.65 A)
&rst
ixpk= 639, nxpk= 15, iat= 463, 526, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ASP HB- 34 ASP HN 2.80 (# 640:15 Unique 2.31, 2.44 A)
&rst
ixpk= 640, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 530, 531,
&end
#
# 34 ASP HB+ 34 ASP HN 3.50 (# 641:15 Unique 2.31, 2.44 A)
&rst
ixpk= 641, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 530, 531,
&end
#
# 33 LEU HB- 34 ASP HN 3.50 (# 642:15 Unique 2.29, 3.08 A)
&rst
ixpk= 642, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 511, 512,
&end
#
# 0 AMB 15-2:643 34 ASP HN 4.50 (# 643:15 Single Ambig)
&rst
ixpk= 643, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 516, 517, 518, 520, 521, 522, 548, 549, 545, 546,
&end
#
# 33 LEU HB+ 34 ASP HN 3.50 (# 644:15 Unique 2.29, 3.08 A)
&rst
ixpk= 644, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 511, 512,
&end
#
# 0 AMB 15-2:645 34 ASP HN 4.50 (# 645:15 Single Ambig)
&rst
ixpk= 645, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 0 AMB 15-2:646 34 ASP HN 5.50 (# 646:15 Single Ambig)
&rst
ixpk= 646, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 608, 609, 610, 688, 689, 690,
&end
#
# 0 AMB 15-2:647 34 ASP HN 4.50 (# 647:15 Single Ambig)
&rst
ixpk= 647, nxpk= 15, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 516, 517, 518, 520, 521, 522, 514,
&end
#
# 94 ASP HN 95 GLU HN 4.50 (# 648:15 Unique 2.15, 2.67 A)
&rst
ixpk= 648, nxpk= 15, iat=1435,1447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ASN HB- 95 GLU HN 4.50 (# 649:15 Unique 2.56, 3.82 A)
&rst
ixpk= 649, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1425,1426,
&end
#
# 94 ASP HB+ 95 GLU HN 3.50 (# 650:15 Unique 2.73, 3.49 A)
&rst
ixpk= 650, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1439,1440,
&end
#
# 93 ASN HD2+ 95 GLU HN 5.50 (# 651:15 Unique 3.18, 4.96 A)
&rst
ixpk= 651, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1430,1431,
&end
#
# 93 ASN HB+ 95 GLU HN 5.50 (# 653:15 Unique 2.56, 3.82 A)
&rst
ixpk= 653, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1425,1426,
&end
#
# 21 TRP HA 23 GLU HN 5.50 (# 654:15 Unique 4.06, 4.31 A)
&rst
ixpk= 654, nxpk= 15, iat= 318, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 ILE HN 13 SER HN 5.50 (# 655:15 Unique 4.29, 4.37 A)
&rst
ixpk= 655, nxpk= 15, iat= 179, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 GLU HA 95 GLU HN 3.50 (# 656:15 Unique 2.79, 2.92 A)
&rst
ixpk= 656, nxpk= 15, iat=1449,1447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:657 0 AMB 15-1:657 3.50 (# 657:15 Double Ambig)
&rst
ixpk= 657, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1497,1437,
igr2=1517,1447,
&end
#
# 95 GLU HG+ 95 GLU HN 3.50 (# 658:15 Unique 2.82, 3.64 A)
&rst
ixpk= 658, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1454,1455,
&end
#
# 95 GLU HB+ 95 GLU HN 2.80 (# 659:15 Unique 2.15, 3.26 A)
&rst
ixpk= 659, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1451,1452,
&end
#
# 24 ALA HN 23 GLU HN 3.50 (# 660:15 Unique 2.45, 2.60 A)
&rst
ixpk= 660, nxpk= 15, iat= 372, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:661 23 GLU HN 4.50 (# 661:15 Single Ambig)
&rst
ixpk= 661, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 295, 296, 342,
&end
#
# 20 ASP HN 23 GLU HN 4.50 (# 662:15 Unique 2.98, 3.21 A)
&rst
ixpk= 662, nxpk= 15, iat= 304, 357, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 GLN HN 23 GLU HN 3.50 (# 663:15 Unique 2.65, 2.75 A)
&rst
ixpk= 663, nxpk= 15, iat= 340, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 GLU HA 23 GLU HN 3.50 (# 664:15 Unique 2.83, 2.87 A)
&rst
ixpk= 664, nxpk= 15, iat= 359, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 GLU HB+ 23 GLU HN 3.50 (# 665:15 Unique 2.20, 2.50 A)
&rst
ixpk= 665, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 361, 362,
&end
#
# 22 GLN HB+ 23 GLU HN 3.50 (# 666:15 Unique 2.44, 3.06 A)
&rst
ixpk= 666, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 344, 345,
&end
#
# 22 GLN HB- 23 GLU HN 3.50 (# 667:15 Unique 2.44, 3.06 A)
&rst
ixpk= 667, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 344, 345,
&end
#
# 22 GLN HG- 23 GLU HN 5.50 (# 668:15 Unique 4.28, 4.73 A)
&rst
ixpk= 668, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 347, 348,
&end
#
# 83 LEU HN 13 SER HN 4.50 (# 669:15 Unique 3.74, 4.00 A)
&rst
ixpk= 669, nxpk= 15, iat=1266, 198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 SER HB- 13 SER HN 4.50 (# 670:15 Unique 2.89, 3.48 A)
&rst
ixpk= 670, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 202, 203,
&end
#
# 82 THR MG2 13 SER HN 4.50 (# 671:15 Unique 4.24, 5.52 A)
&rst
ixpk= 671, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1258,1259,1260,
&end
#
# 14 VAL HN 13 SER HN 5.50 (# 672:15 Unique 3.72, 4.19 A)
&rst
ixpk= 672, nxpk= 15, iat= 209, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 ILE HA 13 SER HN 2.80 (# 673:15 Unique 2.14, 2.24 A)
&rst
ixpk= 673, nxpk= 15, iat= 181, 198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 82 THR HA 13 SER HN 3.50 (# 674:15 Unique 2.63, 2.96 A)
&rst
ixpk= 674, nxpk= 15, iat=1254, 198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 SER HA 13 SER HN 3.50 (# 675:15 Unique 2.84, 2.87 A)
&rst
ixpk= 675, nxpk= 15, iat= 200, 198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 SER HB+ 13 SER HN 4.50 (# 676:15 Unique 2.89, 3.48 A)
&rst
ixpk= 676, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 202, 203,
&end
#
# 0 AMB 15-2:677 13 SER HN 4.50 (# 677:15 Single Ambig)
&rst
ixpk= 677, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1237,1238, 183,
&end
#
# 12 ILE QG2 13 SER HN 3.50 (# 678:15 Unique 2.52, 3.42 A)
&rst
ixpk= 678, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 185, 186, 187,
&end
#
# 12 ILE QD1 13 SER HN 5.50 (# 679:15 Unique 5.57, 5.97 A)
&rst
ixpk= 679, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 192, 193, 194,
&end
#
# 137 GLU HG+ 138 LYS HN 4.50 (# 680:15 Unique 3.97, 4.92 A)
&rst
ixpk= 680, nxpk= 15, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2075,2076,
&end
#
# 21 TRP HN 23 GLU HN 5.50 (# 681:15 Unique 3.86, 4.23 A)
&rst
ixpk= 681, nxpk= 15, iat= 316, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 LEU HN 99 LEU HN 5.50 (# 683:15 Unique 4.28, 4.44 A)
&rst
ixpk= 683, nxpk= 15, iat=1536,1517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:684 99 LEU HN 4.50 (# 684:15 Single Ambig)
&rst
ixpk= 684, nxpk= 15, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 994,1476,
&end
#
# 98 LYS HN 99 LEU HN 2.80 (# 685:15 Unique 2.37, 2.79 A)
&rst
ixpk= 685, nxpk= 15, iat=1495,1517, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 LEU HA 99 LEU HN 3.50 (# 686:15 Unique 2.93, 2.97 A)
&rst
ixpk= 686, nxpk= 15, iat=1519,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 VAL HA 99 LEU HN 3.50 (# 687:15 Unique 2.86, 3.23 A)
&rst
ixpk= 687, nxpk= 15, iat= 980,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 ILE HA 99 LEU HN 3.50 (# 688:15 Unique 3.03, 3.42 A)
&rst
ixpk= 688, nxpk= 15, iat=1478,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 LYS HB- 99 LEU HN 3.50 (# 689:15 Unique 2.38, 3.51 A)
&rst
ixpk= 689, nxpk= 15, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1499,1500,
&end
#
# 0 AMB 15-2:690 99 LEU HN 3.50 (# 690:15 Single Ambig)
&rst
ixpk= 690, nxpk= 15, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
2017,2018,2012,2013,2014,2016,2017,2018,
&end
#
# 0 AMB 15-2:691 0 AMB 15-1:691 4.50 (# 691:15 Double Ambig)
&rst
ixpk= 691, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 973, 974, 973, 974,
igr2=1517,1447,
&end
#
# 99 LEU HB- 99 LEU HN 3.50 (# 692:15 Unique 2.31, 2.85 A)
&rst
ixpk= 692, nxpk= 15, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1521,1522,
&end
#
# 97 ILE QG2 99 LEU HN 3.50 (# 693:15 Unique 2.03, 3.27 A)
&rst
ixpk= 693, nxpk= 15, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1482,1483,1484,
&end
#
# 137 GLU HN 138 LYS HN 4.50 (# 694:15 Unique 2.50, 2.81 A)
&rst
ixpk= 694, nxpk= 15, iat=2068,2083, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 139 GLN HN 138 LYS HN 3.50 (# 695:15 Unique 2.80, 2.92 A)
&rst
ixpk= 695, nxpk= 15, iat=2105,2083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 140 LEU HN 138 LYS HN 5.50 (# 696:15 Unique 4.31, 4.41 A)
&rst
ixpk= 696, nxpk= 15, iat=2122,2083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 SER HB+ 138 LYS HN 4.50 (# 698:15 Unique 2.40, 3.13 A)
&rst
ixpk= 698, nxpk= 15, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2061,2062,
&end
#
# 138 LYS HA 138 LYS HN 3.50 (# 699:15 Unique 2.75, 2.80 A)
&rst
ixpk= 699, nxpk= 15, iat=2085,2083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 137 GLU HA 138 LYS HN 5.50 (# 700:15 Unique 3.43, 3.54 A)
&rst
ixpk= 700, nxpk= 15, iat=2070,2083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 GLU HB- 138 LYS HN 3.50 (# 701:15 Unique 2.61, 3.34 A)
&rst
ixpk= 701, nxpk= 15, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2072,2073,
&end
#
# 137 GLU HB+ 138 LYS HN 4.50 (# 702:15 Unique 2.61, 3.34 A)
&rst
ixpk= 702, nxpk= 15, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2072,2073,
&end
#
# 138 LYS HB- 138 LYS HN 2.80 (# 703:15 Unique 2.28, 2.79 A)
&rst
ixpk= 703, nxpk= 15, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2087,2088,
&end
#
# 0 AMB 15-2:704 138 LYS HN 2.80 (# 704:15 Single Ambig)
&rst
ixpk= 704, nxpk= 15, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2093,2094,2087,2088,
&end
#
# 138 LYS HG- 138 LYS HN 4.50 (# 705:15 Unique 2.14, 3.78 A)
&rst
ixpk= 705, nxpk= 15, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2090,2091,
&end
#
# 6 TYR HA 5 ASP HN 5.50 (# 706:15 Unique 5.11, 5.29 A)
&rst
ixpk= 706, nxpk= 15, iat= 89, 75, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 SER HN 5 ASP HN 3.50 (# 707:15 Unique 2.79, 2.99 A)
&rst
ixpk= 707, nxpk= 15, iat= 64, 75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 TYR HN 5 ASP HN 2.80 (# 708:15 Unique 2.48, 2.64 A)
&rst
ixpk= 708, nxpk= 15, iat= 87, 75, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:710 5 ASP HN 4.50 (# 710:15 Single Ambig)
&rst
ixpk= 710, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 108, 116, 124,
&end
#
# 6 TYR HD 5 ASP HN 4.50 (# 711:15 Unique 3.34, 5.44 A)
&rst
ixpk= 711, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 95, 104,
&end
#
# 5 ASP HA 5 ASP HN 3.50 (# 712:15 Unique 2.83, 2.85 A)
&rst
ixpk= 712, nxpk= 15, iat= 77, 75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 3 LEU HA 5 ASP HN 5.50 (# 713:15 Unique 3.35, 3.84 A)
&rst
ixpk= 713, nxpk= 15, iat= 47, 75, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:714 5 ASP HN 4.50 (# 714:15 Single Ambig)
&rst
ixpk= 714, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 68, 69, 66,
&end
#
# 4 SER HB+ 5 ASP HN 5.50 (# 715:15 Unique 3.05, 4.01 A)
&rst
ixpk= 715, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 68, 69,
&end
#
# 5 ASP HB+ 5 ASP HN 2.80 (# 716:15 Unique 2.44, 2.51 A)
&rst
ixpk= 716, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 79, 80,
&end
#
# 5 ASP HB- 5 ASP HN 3.50 (# 717:15 Unique 2.44, 2.51 A)
&rst
ixpk= 717, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 79, 80,
&end
#
# 2 ARG HB- 5 ASP HN 4.50 (# 718:15 Unique 2.68, 3.41 A)
&rst
ixpk= 718, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 25, 26,
&end
#
# 2 ARG HB+ 5 ASP HN 3.50 (# 719:15 Unique 2.68, 3.41 A)
&rst
ixpk= 719, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 25, 26,
&end
#
# 57 TYR HN 56 TYR HN 3.50 (# 720:15 Unique 2.10, 2.65 A)
&rst
ixpk= 720, nxpk= 15, iat= 888, 867, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 TYR HB- 56 TYR HN 4.50 (# 721:15 Unique 2.04, 2.97 A)
&rst
ixpk= 721, nxpk= 15, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 871, 872,
&end
#
# 56 TYR HD 56 TYR HN 2.80 (# 722:15 Unique 2.11, 3.83 A)
&rst
ixpk= 722, nxpk= 15, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 875, 884,
&end
#
# 55 PRO HA 56 TYR HN 2.80 (# 725:15 Unique 2.00, 2.17 A)
&rst
ixpk= 725, nxpk= 15, iat= 863, 867, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 TYR HB+ 56 TYR HN 4.50 (# 726:15 Unique 2.04, 2.97 A)
&rst
ixpk= 726, nxpk= 15, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 871, 872,
&end
#
# 55 PRO HB+ 56 TYR HN 4.50 (# 727:15 Unique 2.93, 3.94 A)
&rst
ixpk= 727, nxpk= 15, iat= -1, 867, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 860, 861,
&end
#
# 47 LYS HG+ 48 ASP HN 4.50 (# 728:15 Unique 4.31, 4.85 A)
&rst
ixpk= 728, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 747, 748,
&end
#
# 44 GLN HE2+ 48 ASP HN 5.50 (# 729:15 Unique 3.41, 4.49 A)
&rst
ixpk= 729, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 706, 707,
&end
#
# 0 AMB 15-2:730 48 ASP HN 4.50 (# 730:15 Single Ambig)
&rst
ixpk= 730, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 713, 778, 779,
&end
#
# 0 AMB 15-2:731 99 LEU HN 4.50 (# 731:15 Single Ambig)
&rst
ixpk= 731, nxpk= 15, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1524,1289,1290,
&end
#
# 49 SER HN 48 ASP HN 3.50 (# 732:15 Unique 2.69, 2.87 A)
&rst
ixpk= 732, nxpk= 15, iat= 774, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:733 48 ASP HN 5.50 (# 733:15 Single Ambig)
&rst
ixpk= 733, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 785, 799,
&end
#
# 47 LYS HN 48 ASP HN 3.50 (# 734:15 Unique 2.73, 2.81 A)
&rst
ixpk= 734, nxpk= 15, iat= 740, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ASP HA 48 ASP HN 2.80 (# 735:15 Unique 2.78, 2.81 A)
&rst
ixpk= 735, nxpk= 15, iat= 764, 762, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 GLN HA 48 ASP HN 4.50 (# 736:15 Unique 3.58, 3.77 A)
&rst
ixpk= 736, nxpk= 15, iat= 696, 762, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ASP HB- 48 ASP HN 2.80 (# 737:15 Unique 2.42, 2.50 A)
&rst
ixpk= 737, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 766, 767,
&end
#
# 0 AMB 15-2:738 48 ASP HN 2.80 (# 738:15 Single Ambig)
&rst
ixpk= 738, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 744, 745, 744, 745,
&end
#
# 51 ILE QD1 48 ASP HN 5.50 (# 739:15 Unique 4.16, 5.31 A)
&rst
ixpk= 739, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 812, 813, 814,
&end
#
# 138 LYS HA 141 ALA HN 4.50 (# 740:15 Unique 3.20, 3.55 A)
&rst
ixpk= 740, nxpk= 15, iat=2085,2141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 140 LEU HB- 141 ALA HN 3.50 (# 741:15 Unique 2.48, 3.06 A)
&rst
ixpk= 741, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2126,2127,
&end
#
# 140 LEU MDY 141 ALA HN 4.50 (# 742:15 Unique 3.89, 5.61 A)
&rst
ixpk= 742, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2131,2132,2133,2135,2136,2137,
&end
#
# 129 GLU HN 127 ILE HN 5.50 (# 743:15 Unique 4.25, 4.33 A)
&rst
ixpk= 743, nxpk= 15, iat=1952,1914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 LEU HB- 127 ILE HN 5.50 (# 744:15 Unique 4.52, 5.43 A)
&rst
ixpk= 744, nxpk= 15, iat= -1,1914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1937,1938,
&end
#
# 126 GLU HN 127 ILE HN 3.50 (# 745:15 Unique 2.56, 2.62 A)
&rst
ixpk= 745, nxpk= 15, iat=1899,1914, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 LEU HN 127 ILE HN 2.80 (# 746:15 Unique 2.48, 2.54 A)
&rst
ixpk= 746, nxpk= 15, iat=1933,1914, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 126 GLU HA 127 ILE HN 4.50 (# 747:15 Unique 3.54, 3.55 A)
&rst
ixpk= 747, nxpk= 15, iat=1901,1914, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:748 127 ILE HN 5.50 (# 748:15 Single Ambig)
&rst
ixpk= 748, nxpk= 15, iat= -1,1914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1886,1935,
&end
#
# 127 ILE HA 127 ILE HN 3.50 (# 749:15 Unique 2.89, 2.89 A)
&rst
ixpk= 749, nxpk= 15, iat=1916,1914, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HB 127 ILE HN 2.80 (# 750:15 Unique 2.18, 2.23 A)
&rst
ixpk= 750, nxpk= 15, iat=1918,1914, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 126 GLU HB+ 127 ILE HN 2.80 (# 751:15 Unique 2.43, 3.07 A)
&rst
ixpk= 751, nxpk= 15, iat= -1,1914, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1903,1904,
&end
#
# 127 ILE HG1- 127 ILE HN 3.50 (# 752:15 Unique 3.88, 3.96 A)
&rst
ixpk= 752, nxpk= 15, iat= -1,1914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1924,1925,
&end
#
# 127 ILE HG1+ 127 ILE HN 3.50 (# 753:15 Unique 3.88, 3.96 A)
&rst
ixpk= 753, nxpk= 15, iat= -1,1914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1924,1925,
&end
#
# 127 ILE QD1 127 ILE HN 3.50 (# 754:15 Unique 2.37, 3.11 A)
&rst
ixpk= 754, nxpk= 15, iat= -1,1914, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1927,1928,1929,
&end
#
# 139 GLN HN 141 ALA HN 5.50 (# 755:15 Unique 4.19, 4.39 A)
&rst
ixpk= 755, nxpk= 15, iat=2105,2141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 LEU HN 141 ALA HN 3.50 (# 756:15 Unique 2.50, 2.68 A)
&rst
ixpk= 756, nxpk= 15, iat=2122,2141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 142 ASP HA 141 ALA HN 5.50 (# 757:15 Unique 5.36, 5.43 A)
&rst
ixpk= 757, nxpk= 15, iat=2153,2141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:758 141 ALA HN 4.50 (# 758:15 Single Ambig)
&rst
ixpk= 758, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2124,2070,
&end
#
# 141 ALA HA 141 ALA HN 3.50 (# 759:15 Unique 2.79, 2.84 A)
&rst
ixpk= 759, nxpk= 15, iat=2143,2141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:760 141 ALA HN 4.50 (# 760:15 Single Ambig)
&rst
ixpk= 760, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2072,2073,2109,2110,
&end
#
# 140 LEU HB+ 141 ALA HN 2.80 (# 761:15 Unique 2.48, 3.06 A)
&rst
ixpk= 761, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2126,2127,
&end
#
# 81 LEU HB+ 141 ALA HN 5.50 (# 762:15 Unique 5.71, 6.22 A)
&rst
ixpk= 762, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1237,1238,
&end
#
# 141 ALA MB 141 ALA HN 2.80 (# 763:15 Unique 2.46, 2.89 A)
&rst
ixpk= 763, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2145,2146,2147,
&end
#
# 12 ILE QG2 141 ALA HN 3.50 (# 764:15 Unique 2.41, 4.03 A)
&rst
ixpk= 764, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 185, 186, 187,
&end
#
# 12 ILE QD1 141 ALA HN 4.50 (# 765:15 Unique 2.53, 3.99 A)
&rst
ixpk= 765, nxpk= 15, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 192, 193, 194,
&end
#
# 34 ASP HN 32 LEU HN 5.50 (# 766:15 Unique 3.66, 3.92 A)
&rst
ixpk= 766, nxpk= 15, iat= 526, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 MET HA 32 LEU HN 5.50 (# 767:15 Unique 3.52, 3.63 A)
&rst
ixpk= 767, nxpk= 15, iat= 446, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:768 32 LEU HN 4.50 (# 768:15 Single Ambig)
&rst
ixpk= 768, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 479, 509,
&end
#
# 31 SER HB+ 32 LEU HN 4.50 (# 769:15 Unique 2.66, 3.48 A)
&rst
ixpk= 769, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 481, 482,
&end
#
# 38 ILE HG1+ 32 LEU HN 4.50 (# 770:15 Unique 4.63, 5.27 A)
&rst
ixpk= 770, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 605, 606,
&end
#
# 32 LEU MDX 32 LEU HN 4.50 (# 771:15 Unique 3.47, 4.51 A)
&rst
ixpk= 771, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 41 ASN HN 40 GLU HN 4.50 (# 772:15 Unique 2.65, 2.82 A)
&rst
ixpk= 772, nxpk= 15, iat= 640, 625, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 SER HB- 40 GLU HN 2.80 (# 774:15 Unique 2.58, 3.27 A)
&rst
ixpk= 774, nxpk= 15, iat= -1, 625, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 618, 619,
&end
#
# 40 GLU HA 40 GLU HN 3.50 (# 775:15 Unique 2.78, 2.82 A)
&rst
ixpk= 775, nxpk= 15, iat= 627, 625, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:776 40 GLU HN 2.80 (# 776:15 Single Ambig)
&rst
ixpk= 776, nxpk= 15, iat= -1, 625, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 632, 633, 629, 630,
&end
#
# 0 AMB 15-2:777 40 GLU HN 5.50 (# 777:15 Single Ambig)
&rst
ixpk= 777, nxpk= 15, iat= -1, 625, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 688, 689, 690, 608, 609, 610,
&end
#
# 33 LEU MDX 40 GLU HN 3.50 (# 778:15 Unique 3.02, 4.68 A)
&rst
ixpk= 778, nxpk= 15, iat= -1, 625, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 71 GLU HN 72 CYS HN 3.50 (# 780:15 Unique 2.85, 2.92 A)
&rst
ixpk= 780, nxpk= 15, iat=1100,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 GLY HN 72 CYS HN 3.50 (# 781:15 Unique 2.49, 2.55 A)
&rst
ixpk= 781, nxpk= 15, iat=1126,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 TYR HD 72 CYS HN 5.50 (# 782:15 Unique 3.47, 5.67 A)
&rst
ixpk= 782, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 662, 671,
&end
#
# 0 AMB 15-2:783 72 CYS HN 4.50 (# 783:15 Single Ambig)
&rst
ixpk= 783, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1096,1064,
&end
#
# 72 CYS HB+ 72 CYS HN 2.80 (# 784:15 Unique 2.41, 3.04 A)
&rst
ixpk= 784, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1119,1120,
&end
#
# 71 GLU HG- 72 CYS HN 4.50 (# 785:15 Unique 2.94, 3.84 A)
&rst
ixpk= 785, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1107,1108,
&end
#
# 0 AMB 15-2:786 72 CYS HN 3.50 (# 786:15 Single Ambig)
&rst
ixpk= 786, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1066,1067,1104,1105,
&end
#
# 69 ARG HB+ 72 CYS HN 4.50 (# 787:15 Unique 3.28, 3.91 A)
&rst
ixpk= 787, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1066,1067,
&end
#
# 72 CYS HA 72 CYS HN 3.50 (# 789:15 Unique 2.93, 2.94 A)
&rst
ixpk= 789, nxpk= 15, iat=1117,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 GLU HG+ 72 CYS HN 5.50 (# 790:15 Unique 2.94, 3.84 A)
&rst
ixpk= 790, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1107,1108,
&end
#
# 68 ALA MB 72 CYS HN 5.50 (# 791:15 Unique 4.22, 5.15 A)
&rst
ixpk= 791, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1056,1057,1058,
&end
#
# 33 LEU HN 32 LEU HN 3.50 (# 792:15 Unique 2.19, 2.35 A)
&rst
ixpk= 792, nxpk= 15, iat= 507, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 SER HN 32 LEU HN 3.50 (# 793:15 Unique 2.64, 2.76 A)
&rst
ixpk= 793, nxpk= 15, iat= 477, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:794 32 LEU HN 3.50 (# 794:15 Single Ambig)
&rst
ixpk= 794, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 481, 482, 490,
&end
#
# 32 LEU HB+ 32 LEU HN 3.50 (# 795:15 Unique 2.32, 3.00 A)
&rst
ixpk= 795, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 492, 493,
&end
#
# 32 LEU HG 32 LEU HN 2.80 (# 796:15 Unique 2.20, 2.52 A)
&rst
ixpk= 796, nxpk= 15, iat= 495, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 LEU MDY 32 LEU HN 4.50 (# 797:15 Unique 3.47, 4.51 A)
&rst
ixpk= 797, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 15-2:798 40 GLU HN 3.50 (# 798:15 Single Ambig)
&rst
ixpk= 798, nxpk= 15, iat= -1, 625, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 632, 633, 629, 630,
&end
#
# 119 SER HN 120 GLU HN 3.50 (# 801:15 Unique 2.79, 2.85 A)
&rst
ixpk= 801, nxpk= 15, iat=1794,1805, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 LEU HN 120 GLU HN 2.80 (# 802:15 Unique 2.38, 2.44 A)
&rst
ixpk= 802, nxpk= 15, iat=1820,1805, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:803 120 GLU HN 2.80 (# 803:15 Single Ambig)
&rst
ixpk= 803, nxpk= 15, iat= -1,1805, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1807,1777,1796,
&end
#
# 120 GLU HG+ 120 GLU HN 3.50 (# 804:15 Unique 2.20, 2.89 A)
&rst
ixpk= 804, nxpk= 15, iat= -1,1805, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1812,1813,
&end
#
# 120 GLU HB+ 120 GLU HN 2.80 (# 805:15 Unique 2.47, 3.07 A)
&rst
ixpk= 805, nxpk= 15, iat= -1,1805, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1809,1810,
&end
#
# 121 LEU HB- 120 GLU HN 4.50 (# 806:15 Unique 4.73, 5.40 A)
&rst
ixpk= 806, nxpk= 15, iat= -1,1805, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1824,1825,
&end
#
# 0 AMB 15-2:807 120 GLU HN 5.50 (# 807:15 Single Ambig)
&rst
ixpk= 807, nxpk= 15, iat= -1,1805, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1779,1780,1769,1770,1771,
&end
#
# 8 PRO HD+ 7 PHE HN 5.50 (# 808:15 Unique 4.19, 4.82 A)
&rst
ixpk= 808, nxpk= 15, iat= -1, 108, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 129, 130,
&end
#
# 144 ILE QG2 7 PHE HN 5.50 (# 809:15 Unique 4.21, 5.01 A)
&rst
ixpk= 809, nxpk= 15, iat= -1, 108, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2188,2189,2190,
&end
#
# 6 TYR HN 7 PHE HN 3.50 (# 810:15 Unique 1.99, 2.38 A)
&rst
ixpk= 810, nxpk= 15, iat= 87, 108, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 7 PHE HA 7 PHE HN 3.50 (# 811:15 Unique 2.92, 2.96 A)
&rst
ixpk= 811, nxpk= 15, iat= 110, 108, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ASP HA 7 PHE HN 5.50 (# 812:15 Unique 4.16, 4.48 A)
&rst
ixpk= 812, nxpk= 15, iat= 77, 108, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 TYR HA 7 PHE HN 4.50 (# 813:15 Unique 3.47, 3.53 A)
&rst
ixpk= 813, nxpk= 15, iat= 89, 108, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 4 SER HA 7 PHE HN 4.50 (# 814:15 Unique 2.69, 3.15 A)
&rst
ixpk= 814, nxpk= 15, iat= 66, 108, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 PHE HB+ 7 PHE HN 2.80 (# 815:15 Unique 2.27, 3.01 A)
&rst
ixpk= 815, nxpk= 15, iat= -1, 108, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 112, 113,
&end
#
# 6 TYR HB- 7 PHE HN 5.50 (# 816:15 Unique 2.90, 3.55 A)
&rst
ixpk= 816, nxpk= 15, iat= -1, 108, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 92,
&end
#
# 5 ASP HN 7 PHE HN 5.50 (# 817:15 Unique 3.99, 4.20 A)
&rst
ixpk= 817, nxpk= 15, iat= 75, 108, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 LEU HN 131 LEU HN 3.50 (# 819:15 Unique 2.53, 2.62 A)
&rst
ixpk= 819, nxpk= 15, iat=2003,1984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 GLN HN 131 LEU HN 2.80 (# 820:15 Unique 2.46, 2.50 A)
&rst
ixpk= 820, nxpk= 15, iat=1967,1984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 128 LEU HA 131 LEU HN 3.50 (# 821:15 Unique 3.52, 3.56 A)
&rst
ixpk= 821, nxpk= 15, iat=1935,1984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:822 131 LEU HN 2.80 (# 822:15 Single Ambig)
&rst
ixpk= 822, nxpk= 15, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1986,1969,1916,
&end
#
# 130 GLN HB- 131 LEU HN 3.50 (# 823:15 Unique 2.63, 3.28 A)
&rst
ixpk= 823, nxpk= 15, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1971,1972,
&end
#
# 131 LEU HB+ 131 LEU HN 2.80 (# 824:15 Unique 2.38, 3.08 A)
&rst
ixpk= 824, nxpk= 15, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1988,1989,
&end
#
# 131 LEU HG 131 LEU HN 2.80 (# 825:15 Unique 2.17, 2.31 A)
&rst
ixpk= 825, nxpk= 15, iat=1991,1984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 131 LEU HB- 131 LEU HN 3.50 (# 826:15 Unique 2.38, 3.08 A)
&rst
ixpk= 826, nxpk= 15, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1988,1989,
&end
#
# 0 AMB 15-2:827 131 LEU HN 2.80 (# 827:15 Single Ambig)
&rst
ixpk= 827, nxpk= 15, iat= -1,1984, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2176,2177,2178,2169,2170,2171,
&end
#
# 0 AMB 15-2:828 24 ALA HN 2.80 (# 828:15 Single Ambig)
&rst
ixpk= 828, nxpk= 15, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 357, 382,
&end
#
# 20 ASP HN 24 ALA HN 4.50 (# 829:15 Unique 3.27, 3.38 A)
&rst
ixpk= 829, nxpk= 15, iat= 304, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 GLN HN 24 ALA HN 5.50 (# 831:15 Unique 3.84, 3.98 A)
&rst
ixpk= 831, nxpk= 15, iat= 340, 372, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ALA HA 24 ALA HN 3.50 (# 832:15 Unique 2.80, 2.83 A)
&rst
ixpk= 832, nxpk= 15, iat= 374, 372, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 GLU HA 24 ALA HN 4.50 (# 833:15 Unique 3.54, 3.55 A)
&rst
ixpk= 833, nxpk= 15, iat= 359, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 TRP HA 24 ALA HN 4.50 (# 834:15 Unique 2.78, 2.95 A)
&rst
ixpk= 834, nxpk= 15, iat= 318, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 GLN HA 24 ALA HN 5.50 (# 835:15 Unique 4.39, 4.51 A)
&rst
ixpk= 835, nxpk= 15, iat= 342, 372, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ALA MB 24 ALA HN 2.80 (# 836:15 Unique 2.27, 2.84 A)
&rst
ixpk= 836, nxpk= 15, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 376, 377, 378,
&end
#
# 18 ALA MB 24 ALA HN 3.50 (# 837:15 Unique 2.89, 3.66 A)
&rst
ixpk= 837, nxpk= 15, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 276, 277, 278,
&end
#
# 0 AMB 15-2:838 120 GLU HN 4.50 (# 838:15 Single Ambig)
&rst
ixpk= 838, nxpk= 15, iat= -1,1805, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1827,1782,
&end
#
# 133 THR HN 131 LEU HN 5.50 (# 840:15 Unique 3.94, 4.02 A)
&rst
ixpk= 840, nxpk= 15, iat=2022,1984, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 GLU HB+ 24 ALA HN 2.80 (# 842:15 Unique 2.56, 3.19 A)
&rst
ixpk= 842, nxpk= 15, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 361, 362,
&end
#
# 19 LYS HB+ 24 ALA HN 5.50 (# 843:15 Unique 4.98, 5.81 A)
&rst
ixpk= 843, nxpk= 15, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 286, 287,
&end
#
# 88 VAL MGX 24 ALA HN 4.50 (# 844:15 Unique 3.79, 5.69 A)
&rst
ixpk= 844, nxpk= 15, iat= -1, 372, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 143 ILE HN 142 ASP HN 3.50 (# 845:15 Unique 2.61, 2.70 A)
&rst
ixpk= 845, nxpk= 15, iat=2163,2151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 141 ALA MB 142 ASP HN 2.80 (# 846:15 Unique 2.67, 3.59 A)
&rst
ixpk= 846, nxpk= 15, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2145,2146,2147,
&end
#
# 0 AMB 15-2:847 0 AMB 15-1:847 5.50 (# 847:15 Double Ambig)
&rst
ixpk= 847, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2173,2174,2192,2193,
igr2=2151,1984,
&end
#
# 0 AMB 15-2:848 142 ASP HN 5.50 (# 848:15 Single Ambig)
&rst
ixpk= 848, nxpk= 15, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 192, 193, 194,2188,2189,2190,
&end
#
# 139 GLN HN 142 ASP HN 5.50 (# 849:15 Unique 4.56, 4.64 A)
&rst
ixpk= 849, nxpk= 15, iat=2105,2151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 LEU HB- 142 ASP HN 5.50 (# 850:15 Unique 4.98, 5.39 A)
&rst
ixpk= 850, nxpk= 15, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2126,2127,
&end
#
# 140 LEU HN 142 ASP HN 5.50 (# 851:15 Unique 3.86, 4.06 A)
&rst
ixpk= 851, nxpk= 15, iat=2122,2151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 ASP HA 142 ASP HN 3.50 (# 852:15 Unique 2.83, 2.85 A)
&rst
ixpk= 852, nxpk= 15, iat=2153,2151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 139 GLN HA 142 ASP HN 3.50 (# 853:15 Unique 3.08, 3.32 A)
&rst
ixpk= 853, nxpk= 15, iat=2107,2151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 141 ALA HA 142 ASP HN 4.50 (# 854:15 Unique 3.57, 3.61 A)
&rst
ixpk= 854, nxpk= 15, iat=2143,2151, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 142 ASP HB+ 142 ASP HN 2.80 (# 855:15 Unique 2.24, 2.54 A)
&rst
ixpk= 855, nxpk= 15, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2155,2156,
&end
#
# 142 ASP HB- 142 ASP HN 3.50 (# 856:15 Unique 2.24, 2.54 A)
&rst
ixpk= 856, nxpk= 15, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2155,2156,
&end
#
# 0 AMB 15-2:857 50 THR HN 4.50 (# 857:15 Single Ambig)
&rst
ixpk= 857, nxpk= 15, iat= -1, 785, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 803, 744, 745,
&end
#
# 131 LEU HG 130 GLN HN 4.50 (# 858:15 Unique 4.26, 4.37 A)
&rst
ixpk= 858, nxpk= 15, iat=1991,1967, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 GLU HG- 121 LEU HN 5.50 (# 859:15 Unique 4.32, 4.79 A)
&rst
ixpk= 859, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1812,1813,
&end
#
# 49 SER HN 50 THR HN 3.50 (# 861:15 Unique 2.59, 2.67 A)
&rst
ixpk= 861, nxpk= 15, iat= 774, 785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASN HD2+ 50 THR HN 5.50 (# 862:15 Unique 5.11, 6.15 A)
&rst
ixpk= 862, nxpk= 15, iat= -1, 785, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 56 TYR HN 50 THR HN 5.50 (# 864:15 Unique 4.74, 5.39 A)
&rst
ixpk= 864, nxpk= 15, iat= 867, 785, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 SER HB- 50 THR HN 3.50 (# 867:15 Unique 2.55, 3.29 A)
&rst
ixpk= 867, nxpk= 15, iat= -1, 785, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 778, 779,
&end
#
# 47 LYS HA 50 THR HN 4.50 (# 868:15 Unique 2.75, 3.33 A)
&rst
ixpk= 868, nxpk= 15, iat= 742, 785, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 SER HB+ 50 THR HN 3.50 (# 869:15 Unique 2.55, 3.29 A)
&rst
ixpk= 869, nxpk= 15, iat= -1, 785, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 778, 779,
&end
#
# 50 THR HA 50 THR HN 3.50 (# 870:15 Unique 2.77, 2.82 A)
&rst
ixpk= 870, nxpk= 15, iat= 787, 785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 THR MG2 50 THR HN 4.50 (# 871:15 Unique 4.17, 4.50 A)
&rst
ixpk= 871, nxpk= 15, iat= -1, 785, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 791, 792, 793,
&end
#
# 0 AMB 15-2:872 29 MET HN 4.50 (# 872:15 Single Ambig)
&rst
ixpk= 872, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 465, 386,
&end
#
# 131 LEU HN 130 GLN HN 3.50 (# 873:15 Unique 2.46, 2.50 A)
&rst
ixpk= 873, nxpk= 15, iat=1984,1967, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 GLU HN 130 GLN HN 3.50 (# 874:15 Unique 2.58, 2.65 A)
&rst
ixpk= 874, nxpk= 15, iat=1952,1967, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:875 130 GLN HN 2.80 (# 875:15 Single Ambig)
&rst
ixpk= 875, nxpk= 15, iat= -1,1967, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1969,1916,
&end
#
# 130 GLN HG+ 130 GLN HN 2.80 (# 876:15 Unique 2.42, 3.20 A)
&rst
ixpk= 876, nxpk= 15, iat= -1,1967, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1974,1975,
&end
#
# 0 AMB 15-2:877 130 GLN HN 5.50 (# 877:15 Single Ambig)
&rst
ixpk= 877, nxpk= 15, iat= -1,1967, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1988,1989,2028,2029,2030,
&end
#
# 0 AMB 15-2:878 130 GLN HN 3.50 (# 878:15 Single Ambig)
&rst
ixpk= 878, nxpk= 15, iat= -1,1967, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2176,2177,2178,1920,1921,1922,2169,2170,2171,
&end
#
# 118 LEU HB- 121 LEU HN 5.50 (# 880:15 Unique 4.36, 5.05 A)
&rst
ixpk= 880, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1779,1780,
&end
#
# 122 LEU HN 121 LEU HN 2.80 (# 881:15 Unique 2.43, 2.52 A)
&rst
ixpk= 881, nxpk= 15, iat=1839,1820, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 GLU HN 121 LEU HN 3.50 (# 882:15 Unique 2.38, 2.44 A)
&rst
ixpk= 882, nxpk= 15, iat=1805,1820, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 LEU HA 121 LEU HN 3.50 (# 883:15 Unique 2.96, 2.98 A)
&rst
ixpk= 883, nxpk= 15, iat=1822,1820, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:884 121 LEU HN 3.50 (# 884:15 Single Ambig)
&rst
ixpk= 884, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1777,1796,
&end
#
# 0 AMB 15-2:885 121 LEU HN 5.50 (# 885:15 Single Ambig)
&rst
ixpk= 885, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1841,2238,2239,
&end
#
# 120 GLU HB+ 121 LEU HN 3.50 (# 886:15 Unique 2.92, 3.60 A)
&rst
ixpk= 886, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1809,1810,
&end
#
# 121 LEU HB+ 121 LEU HN 2.80 (# 887:15 Unique 2.54, 3.18 A)
&rst
ixpk= 887, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1824,1825,
&end
#
# 121 LEU MDY 121 LEU HN 4.50 (# 889:15 Unique 3.20, 4.60 A)
&rst
ixpk= 889, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1829,1830,1831,1833,1834,1835,
&end
#
# 0 AMB 15-2:890 121 LEU HN 4.50 (# 890:15 Single Ambig)
&rst
ixpk= 890, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1829,1830,1831,1833,1834,1835,1920,1921,1922,
&end
#
# 30 VAL HN 29 MET HN 2.80 (# 891:15 Unique 2.07, 2.22 A)
&rst
ixpk= 891, nxpk= 15, iat= 461, 444, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 ILE HG1- 29 MET HN 5.50 (# 892:15 Unique 4.30, 5.93 A)
&rst
ixpk= 892, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 685, 686,
&end
#
# 130 GLN HE2+ 130 GLN HN 5.50 (# 893:15 Unique 3.36, 4.32 A)
&rst
ixpk= 893, nxpk= 15, iat= -1,1967, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1979,1980,
&end
#
# 28 SER HN 27 PHE HN 3.50 (# 895:15 Unique 2.62, 2.78 A)
&rst
ixpk= 895, nxpk= 15, iat= 433, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 ASP HN 27 PHE HN 3.50 (# 896:15 Unique 2.77, 2.84 A)
&rst
ixpk= 896, nxpk= 15, iat= 401, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:897 27 PHE HN 5.50 (# 897:15 Single Ambig)
&rst
ixpk= 897, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 444, 372,
&end
#
# 27 PHE HA 27 PHE HN 3.50 (# 899:15 Unique 2.82, 2.84 A)
&rst
ixpk= 899, nxpk= 15, iat= 415, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 ALA HA 27 PHE HN 3.50 (# 900:15 Unique 3.27, 3.48 A)
&rst
ixpk= 900, nxpk= 15, iat= 374, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 PHE HB+ 27 PHE HN 2.80 (# 901:15 Unique 2.22, 2.89 A)
&rst
ixpk= 901, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 417, 418,
&end
#
# 26 ASP HB- 27 PHE HN 3.50 (# 902:15 Unique 2.38, 3.22 A)
&rst
ixpk= 902, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 405, 406,
&end
#
# 26 ASP HB+ 27 PHE HN 3.50 (# 903:15 Unique 2.38, 3.22 A)
&rst
ixpk= 903, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 405, 406,
&end
#
# 0 AMB 15-2:904 27 PHE HN 5.50 (# 904:15 Single Ambig)
&rst
ixpk= 904, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 364, 365, 361, 362,
&end
#
# 0 AMB 15-2:905 27 PHE HN 5.50 (# 905:15 Single Ambig)
&rst
ixpk= 905, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 28 SER HN 29 MET HN 3.50 (# 906:15 Unique 2.39, 2.58 A)
&rst
ixpk= 906, nxpk= 15, iat= 433, 444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 MET HA 29 MET HN 3.50 (# 907:15 Unique 2.98, 2.99 A)
&rst
ixpk= 907, nxpk= 15, iat= 446, 444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:909 29 MET HN 4.50 (# 909:15 Single Ambig)
&rst
ixpk= 909, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 435, 415,
&end
#
# 26 ASP HA 29 MET HN 5.50 (# 910:15 Unique 3.36, 3.47 A)
&rst
ixpk= 910, nxpk= 15, iat= 403, 444, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:911 29 MET HN 3.50 (# 911:15 Single Ambig)
&rst
ixpk= 911, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 437, 438, 463,
&end
#
# 29 MET HG+ 29 MET HN 4.50 (# 912:15 Unique 2.67, 3.35 A)
&rst
ixpk= 912, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 451, 452,
&end
#
# 29 MET HG- 29 MET HN 3.50 (# 913:15 Unique 2.67, 3.35 A)
&rst
ixpk= 913, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 451, 452,
&end
#
# 29 MET HB- 29 MET HN 2.80 (# 914:15 Unique 2.40, 3.15 A)
&rst
ixpk= 914, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 448, 449,
&end
#
# 0 AMB 15-2:915 29 MET HN 4.50 (# 915:15 Single Ambig)
&rst
ixpk= 915, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 0 AMB 15-2:916 29 MET HN 4.50 (# 916:15 Single Ambig)
&rst
ixpk= 916, nxpk= 15, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 688, 689, 690, 608, 609, 610,
&end
#
# 26 ASP HA 27 PHE HN 4.50 (# 919:15 Unique 3.59, 3.60 A)
&rst
ixpk= 919, nxpk= 15, iat= 403, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:920 27 PHE HN 5.50 (# 920:15 Single Ambig)
&rst
ixpk= 920, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 376, 377, 378, 286, 287,
&end
#
# 0 AMB 15-2:921 27 PHE HN 5.50 (# 921:15 Single Ambig)
&rst
ixpk= 921, nxpk= 15, iat= -1, 413, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1258,1259,1260,1292,
&end
#
# 45 ALA HN 46 ILE HN 3.50 (# 922:15 Unique 2.69, 2.76 A)
&rst
ixpk= 922, nxpk= 15, iat= 711, 721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 LYS HN 46 ILE HN 3.50 (# 923:15 Unique 2.39, 2.57 A)
&rst
ixpk= 923, nxpk= 15, iat= 740, 721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 ALA HA 46 ILE HN 4.50 (# 924:15 Unique 3.54, 3.59 A)
&rst
ixpk= 924, nxpk= 15, iat= 713, 721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 ILE HA 46 ILE HN 4.50 (# 926:15 Unique 3.39, 3.49 A)
&rst
ixpk= 926, nxpk= 15, iat= 677, 721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 ILE HB 46 ILE HN 2.80 (# 927:15 Unique 2.13, 2.47 A)
&rst
ixpk= 927, nxpk= 15, iat= 725, 721, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 ILE HG1- 46 ILE HN 2.80 (# 928:15 Unique 2.01, 2.78 A)
&rst
ixpk= 928, nxpk= 15, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 731, 732,
&end
#
# 45 ALA MB 46 ILE HN 3.50 (# 929:15 Unique 2.52, 3.55 A)
&rst
ixpk= 929, nxpk= 15, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 715, 716, 717,
&end
#
# 68 ALA MB 46 ILE HN 4.50 (# 930:15 Unique 3.64, 4.57 A)
&rst
ixpk= 930, nxpk= 15, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1056,1057,1058,
&end
#
# 46 ILE QG2 46 ILE HN 4.50 (# 931:15 Unique 4.04, 4.51 A)
&rst
ixpk= 931, nxpk= 15, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 727, 728, 729,
&end
#
# 46 ILE QD1 46 ILE HN 4.50 (# 932:15 Unique 3.67, 4.37 A)
&rst
ixpk= 932, nxpk= 15, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 734, 735, 736,
&end
#
# 46 ILE HG1+ 46 ILE HN 3.50 (# 933:15 Unique 2.01, 2.78 A)
&rst
ixpk= 933, nxpk= 15, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 731, 732,
&end
#
# 94 ASP HN 93 ASN HN 5.50 (# 934:15 Unique 2.75, 4.51 A)
&rst
ixpk= 934, nxpk= 15, iat=1435,1421, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HD1 21 TRP HN 4.50 (# 935:15 Unique 2.18, 2.37 A)
&rst
ixpk= 935, nxpk= 15, iat= 324, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASP HN 21 TRP HN 5.50 (# 936:15 Unique 4.25, 4.29 A)
&rst
ixpk= 936, nxpk= 15, iat= 304, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLN HN 21 TRP HN 4.50 (# 938:15 Unique 2.38, 2.70 A)
&rst
ixpk= 938, nxpk= 15, iat= 340, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASP HA 21 TRP HN 2.80 (# 939:15 Unique 2.51, 2.65 A)
&rst
ixpk= 939, nxpk= 15, iat= 306, 316, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 21 TRP HA 21 TRP HN 3.50 (# 940:15 Unique 2.72, 2.85 A)
&rst
ixpk= 940, nxpk= 15, iat= 318, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 ASP HB- 21 TRP HN 3.50 (# 941:15 Unique 2.21, 3.28 A)
&rst
ixpk= 941, nxpk= 15, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 308, 309,
&end
#
# 20 ASP HB+ 21 TRP HN 2.80 (# 942:15 Unique 2.21, 3.28 A)
&rst
ixpk= 942, nxpk= 15, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 308, 309,
&end
#
# 21 TRP HB+ 21 TRP HN 3.50 (# 943:15 Unique 2.64, 3.21 A)
&rst
ixpk= 943, nxpk= 15, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 320, 321,
&end
#
# 88 VAL MGY 21 TRP HN 3.50 (# 944:15 Unique 3.00, 5.12 A)
&rst
ixpk= 944, nxpk= 15, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 93 ASN HD2+ 93 ASN HN 4.50 (# 945:15 Unique 4.22, 5.17 A)
&rst
ixpk= 945, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1430,1431,
&end
#
# 92 GLY HN 93 ASN HN 3.50 (# 947:15 Unique 1.68, 2.60 A)
&rst
ixpk= 947, nxpk= 15, iat=1414,1421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ASN HA 93 ASN HN 3.50 (# 948:15 Unique 2.86, 2.94 A)
&rst
ixpk= 948, nxpk= 15, iat=1423,1421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 PRO HA 93 ASN HN 4.50 (# 949:15 Unique 3.38, 4.13 A)
&rst
ixpk= 949, nxpk= 15, iat=1410,1421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 GLY HA- 93 ASN HN 3.50 (# 950:15 Unique 2.75, 3.34 A)
&rst
ixpk= 950, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1416,1417,
&end
#
# 92 GLY HA+ 93 ASN HN 5.50 (# 951:15 Unique 2.75, 3.34 A)
&rst
ixpk= 951, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1416,1417,
&end
#
# 93 ASN HB- 93 ASN HN 3.50 (# 952:15 Unique 2.38, 2.73 A)
&rst
ixpk= 952, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1425,1426,
&end
#
# 93 ASN HB+ 93 ASN HN 3.50 (# 953:15 Unique 2.38, 2.73 A)
&rst
ixpk= 953, nxpk= 15, iat= -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1425,1426,
&end
#
# 97 ILE HN 88 VAL HN 3.50 (# 954:15 Unique 2.70, 3.48 A)
&rst
ixpk= 954, nxpk= 15, iat=1476,1343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 87 GLY HA+ 88 VAL HN 5.50 (# 955:15 Unique 2.04, 2.58 A)
&rst
ixpk= 955, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1338,1339,
&end
#
# 96 PRO HA 88 VAL HN 5.50 (# 956:15 Unique 3.74, 4.91 A)
&rst
ixpk= 956, nxpk= 15, iat=1472,1343, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 VAL HB 88 VAL HN 3.50 (# 957:15 Unique 2.53, 3.15 A)
&rst
ixpk= 957, nxpk= 15, iat=1347,1343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 LEU HB+ 88 VAL HN 5.50 (# 958:15 Unique 2.68, 3.76 A)
&rst
ixpk= 958, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1289,1290,
&end
#
# 87 GLY HA- 88 VAL HN 2.80 (# 960:15 Unique 2.04, 2.58 A)
&rst
ixpk= 960, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1338,1339,
&end
#
# 97 ILE HB 88 VAL HN 4.50 (# 961:15 Unique 3.47, 4.01 A)
&rst
ixpk= 961, nxpk= 15, iat=1480,1343, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:962 88 VAL HN 4.50 (# 962:15 Single Ambig)
&rst
ixpk= 962, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 376, 377, 378,1486,1487,1466,1467,
&end
#
# 18 ALA MB 88 VAL HN 5.50 (# 963:15 Unique 4.25, 5.82 A)
&rst
ixpk= 963, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 276, 277, 278,
&end
#
# 96 PRO HB- 88 VAL HN 4.50 (# 964:15 Unique 3.25, 4.84 A)
&rst
ixpk= 964, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1469,1470,
&end
#
# 88 VAL MGX 88 VAL HN 2.80 (# 965:15 Unique 2.63, 4.25 A)
&rst
ixpk= 965, nxpk= 15, iat= -1,1343, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 23 GLU HN 21 TRP HN 5.50 (# 966:15 Unique 3.86, 4.23 A)
&rst
ixpk= 966, nxpk= 15, iat= 357, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:967 21 TRP HN 4.50 (# 967:15 Single Ambig)
&rst
ixpk= 967, nxpk= 15, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 376, 377, 378, 286, 287,
&end
#
# 21 TRP HB- 21 TRP HN 3.50 (# 968:15 Unique 2.64, 3.21 A)
&rst
ixpk= 968, nxpk= 15, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 320, 321,
&end
#
# 45 ALA MB 44 GLN HN 5.50 (# 969:15 Unique 5.01, 5.54 A)
&rst
ixpk= 969, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 715, 716, 717,
&end
#
# 45 ALA HN 44 GLN HN 3.50 (# 970:15 Unique 2.69, 2.75 A)
&rst
ixpk= 970, nxpk= 15, iat= 711, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:971 44 GLN HN 4.50 (# 971:15 Single Ambig)
&rst
ixpk= 971, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 677, 658, 659,
&end
#
# 0 AMB 15-2:972 44 GLN HN 5.50 (# 972:15 Single Ambig)
&rst
ixpk= 972, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 688, 689, 690, 608, 609, 610,
&end
#
# 110 SER HN 109 ASP HN 3.50 (# 973:15 Unique 2.39, 2.43 A)
&rst
ixpk= 973, nxpk= 15, iat=1665,1653, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 ALA HN 109 ASP HN 4.50 (# 974:15 Unique 2.84, 2.86 A)
&rst
ixpk= 974, nxpk= 15, iat=1643,1653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 HIS HN 109 ASP HN 5.50 (# 976:15 Unique 3.84, 3.89 A)
&rst
ixpk= 976, nxpk= 15, iat=1676,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASP HA 109 ASP HN 3.50 (# 978:15 Unique 2.92, 2.94 A)
&rst
ixpk= 978, nxpk= 15, iat=1655,1653, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 SER HA 109 ASP HN 5.50 (# 979:15 Unique 5.10, 5.14 A)
&rst
ixpk= 979, nxpk= 15, iat=1667,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ALA HA 109 ASP HN 4.50 (# 980:15 Unique 3.57, 3.58 A)
&rst
ixpk= 980, nxpk= 15, iat=1645,1653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 110 SER HB+ 109 ASP HN 5.50 (# 981:15 Unique 4.57, 5.36 A)
&rst
ixpk= 981, nxpk= 15, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1669,1670,
&end
#
# 107 ASP HB+ 109 ASP HN 4.50 (# 982:15 Unique 3.46, 4.09 A)
&rst
ixpk= 982, nxpk= 15, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1635,1636,
&end
#
# 107 ASP HB- 109 ASP HN 4.50 (# 983:15 Unique 3.46, 4.09 A)
&rst
ixpk= 983, nxpk= 15, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1635,1636,
&end
#
# 109 ASP HB+ 109 ASP HN 2.80 (# 984:15 Unique 2.41, 2.59 A)
&rst
ixpk= 984, nxpk= 15, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1657,1658,
&end
#
# 108 ALA MB 109 ASP HN 3.50 (# 985:15 Unique 2.88, 3.67 A)
&rst
ixpk= 985, nxpk= 15, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1647,1648,1649,
&end
#
# 0 AMB 15-2:986 109 ASP HN 5.50 (# 986:15 Single Ambig)
&rst
ixpk= 986, nxpk= 15, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1699,1700,1701,1706,1707,1708,
&end
#
# 119 SER HN 118 LEU HN 3.50 (# 987:15 Unique 2.51, 2.64 A)
&rst
ixpk= 987, nxpk= 15, iat=1794,1775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 ALA HN 118 LEU HN 3.50 (# 988:15 Unique 2.03, 2.16 A)
&rst
ixpk= 988, nxpk= 15, iat=1765,1775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 GLU HN 118 LEU HN 5.50 (# 989:15 Unique 4.12, 4.24 A)
&rst
ixpk= 989, nxpk= 15, iat=1805,1775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 LEU HA 118 LEU HN 2.80 (# 990:15 Unique 2.84, 2.85 A)
&rst
ixpk= 990, nxpk= 15, iat=1777,1775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 ILE HA 118 LEU HN 4.50 (# 991:15 Unique 3.27, 3.37 A)
&rst
ixpk= 991, nxpk= 15, iat=1731,1775, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:992 118 LEU HN 5.50 (# 992:15 Single Ambig)
&rst
ixpk= 992, nxpk= 15, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1733, 8, 9, 49, 50,
&end
#
# 118 LEU HB+ 118 LEU HN 2.80 (# 993:15 Unique 2.37, 3.08 A)
&rst
ixpk= 993, nxpk= 15, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1779,1780,
&end
#
# 0 AMB 15-2:994 118 LEU HN 2.80 (# 994:15 Single Ambig)
&rst
ixpk= 994, nxpk= 15, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1779,1780,1769,1770,1771,
&end
#
# 103 LEU HG 118 LEU HN 5.50 (# 995:15 Unique 5.52, 5.60 A)
&rst
ixpk= 995, nxpk= 15, iat=1588,1775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 LEU MDX 118 LEU HN 5.50 (# 997:15 Unique 3.20, 4.26 A)
&rst
ixpk= 997, nxpk= 15, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 15-2:998 44 GLN HN 5.50 (# 998:15 Single Ambig)
&rst
ixpk= 998, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 654, 740, 649, 650,
&end
#
# 43 ILE HN 44 GLN HN 3.50 (# 999:15 Unique 2.72, 2.77 A)
&rst
ixpk= 999, nxpk= 15, iat= 675, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 ASN HA 44 GLN HN 4.50 (# 1000:15 Unique 2.95, 3.21 A)
&rst
ixpk= 1000, nxpk= 15, iat= 642, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 GLN HA 44 GLN HN 3.50 (# 1001:15 Unique 2.84, 2.85 A)
&rst
ixpk= 1001, nxpk= 15, iat= 696, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 GLN HG- 44 GLN HN 4.50 (# 1002:15 Unique 3.06, 4.45 A)
&rst
ixpk= 1002, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 701, 702,
&end
#
# 0 AMB 15-2:1003 44 GLN HN 4.50 (# 1003:15 Single Ambig)
&rst
ixpk= 1003, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 701, 702, 753, 754,
&end
#
# 44 GLN HB- 44 GLN HN 2.80 (# 1004:15 Unique 2.15, 2.64 A)
&rst
ixpk= 1004, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 698, 699,
&end
#
# 43 ILE HB 44 GLN HN 2.80 (# 1005:15 Unique 2.58, 2.67 A)
&rst
ixpk= 1005, nxpk= 15, iat= 679, 694, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 ILE QG2 44 GLN HN 4.50 (# 1006:15 Unique 3.02, 4.44 A)
&rst
ixpk= 1006, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 681, 682, 683,
&end
#
# 0 AMB 15-2:1007 118 LEU HN 4.50 (# 1007:15 Single Ambig)
&rst
ixpk= 1007, nxpk= 15, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1723,1724,1725,1739,1740, 52,
&end
#
# 108 ALA HA 110 SER HN 5.50 (# 1008:15 Unique 4.28, 4.36 A)
&rst
ixpk= 1008, nxpk= 15, iat=1645,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1009 110 SER HN 5.50 (# 1009:15 Single Ambig)
&rst
ixpk= 1009, nxpk= 15, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1678,1714,1715,
&end
#
# 109 ASP HN 110 SER HN 2.80 (# 1010:15 Unique 2.39, 2.43 A)
&rst
ixpk= 1010, nxpk= 15, iat=1653,1665, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 HIS HN 110 SER HN 3.50 (# 1011:15 Unique 2.54, 2.61 A)
&rst
ixpk= 1011, nxpk= 15, iat=1676,1665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 ASP HN 110 SER HN 5.50 (# 1012:15 Unique 3.71, 3.81 A)
&rst
ixpk= 1012, nxpk= 15, iat=1631,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ASP HA 110 SER HN 3.50 (# 1014:15 Unique 3.53, 3.55 A)
&rst
ixpk= 1014, nxpk= 15, iat=1655,1665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 SER HA 110 SER HN 3.50 (# 1015:15 Unique 2.87, 2.88 A)
&rst
ixpk= 1015, nxpk= 15, iat=1667,1665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 SER HB+ 110 SER HN 2.80 (# 1017:15 Unique 2.46, 3.10 A)
&rst
ixpk= 1017, nxpk= 15, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1669,1670,
&end
#
# 111 HIS HB- 110 SER HN 5.50 (# 1018:15 Unique 4.26, 4.94 A)
&rst
ixpk= 1018, nxpk= 15, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1680,1681,
&end
#
# 109 ASP HB+ 110 SER HN 3.50 (# 1019:15 Unique 2.87, 3.50 A)
&rst
ixpk= 1019, nxpk= 15, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1657,1658,
&end
#
# 108 ALA MB 110 SER HN 5.50 (# 1020:15 Unique 5.06, 5.57 A)
&rst
ixpk= 1020, nxpk= 15, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1647,1648,1649,
&end
#
# 105 ALA MB 110 SER HN 5.50 (# 1021:15 Unique 4.01, 5.07 A)
&rst
ixpk= 1021, nxpk= 15, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1615,1616,1617,
&end
#
# 38 ILE HA 76 LYS HN 5.50 (# 1022:15 Unique 4.07, 4.19 A)
&rst
ixpk= 1022, nxpk= 15, iat= 597,1162, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HN 76 LYS HN 2.80 (# 1023:15 Unique 1.85, 1.88 A)
&rst
ixpk= 1023, nxpk= 15, iat=1143,1162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 37 TYR HA 76 LYS HN 2.80 (# 1024:15 Unique 2.83, 2.87 A)
&rst
ixpk= 1024, nxpk= 15, iat= 576,1162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 LEU HB+ 76 LYS HN 3.50 (# 1025:15 Unique 2.75, 3.35 A)
&rst
ixpk= 1025, nxpk= 15, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1147,1148,
&end
#
# 0 AMB 15-2:1026 76 LYS HN 3.50 (# 1026:15 Single Ambig)
&rst
ixpk= 1026, nxpk= 15, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1166,1167,1147,1148,
&end
#
# 0 AMB 15-2:1027 76 LYS HN 3.50 (# 1027:15 Single Ambig)
&rst
ixpk= 1027, nxpk= 15, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1166,1167,1169,1170,
&end
#
# 0 AMB 15-2:1029 69 ARG HN 2.80 (# 1029:15 Single Ambig)
&rst
ixpk= 1029, nxpk= 15, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1054,1064,
&end
#
# 69 ARG HD- 69 ARG HN 5.50 (# 1030:15 Unique 2.88, 4.47 A)
&rst
ixpk= 1030, nxpk= 15, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1072,1073,
&end
#
# 69 ARG HB+ 69 ARG HN 2.80 (# 1031:15 Unique 2.20, 2.97 A)
&rst
ixpk= 1031, nxpk= 15, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1066,1067,
&end
#
# 68 ALA MB 69 ARG HN 2.80 (# 1032:15 Unique 2.26, 3.34 A)
&rst
ixpk= 1032, nxpk= 15, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1056,1057,1058,
&end
#
# 40 GLU HN 41 ASN HN 4.50 (# 1033:15 Unique 2.65, 2.82 A)
&rst
ixpk= 1033, nxpk= 15, iat= 625, 640, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 SER HB+ 41 ASN HN 4.50 (# 1035:15 Unique 2.34, 3.22 A)
&rst
ixpk= 1035, nxpk= 15, iat= -1, 640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 618, 619,
&end
#
# 41 ASN HB+ 41 ASN HN 3.50 (# 1036:15 Unique 2.24, 2.70 A)
&rst
ixpk= 1036, nxpk= 15, iat= -1, 640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 644, 645,
&end
#
# 0 AMB 15-2:1037 0 AMB 15-1:1037 2.80 (# 1037:15 Double Ambig)
&rst
ixpk= 1037, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 618, 619,1164,
igr2= 640,1162,
&end
#
# 41 ASN HB- 41 ASN HN 3.50 (# 1038:15 Unique 2.24, 2.70 A)
&rst
ixpk= 1038, nxpk= 15, iat= -1, 640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 644, 645,
&end
#
# 108 ALA HA 112 ILE HN 5.50 (# 1041:15 Unique 4.02, 4.12 A)
&rst
ixpk= 1041, nxpk= 15, iat=1645,1693, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 HIS HB- 112 ILE HN 3.50 (# 1042:15 Unique 2.58, 3.44 A)
&rst
ixpk= 1042, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 112 ILE HG1+ 112 ILE HN 3.50 (# 1043:15 Unique 2.25, 2.94 A)
&rst
ixpk= 1043, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1703,1704,
&end
#
# 0 AMB 15-2:1044 41 ASN HN 4.50 (# 1044:15 Single Ambig)
&rst
ixpk= 1044, nxpk= 15, iat= -1, 640, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 654, 649, 650,
&end
#
# 40 GLU HB+ 41 ASN HN 4.50 (# 1045:15 Unique 2.75, 3.43 A)
&rst
ixpk= 1045, nxpk= 15, iat= -1, 640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 629, 630,
&end
#
# 0 AMB 15-2:1046 112 ILE HN 3.50 (# 1046:15 Single Ambig)
&rst
ixpk= 1046, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1676,1712,
&end
#
# 109 ASP HA 112 ILE HN 3.50 (# 1047:15 Unique 2.87, 2.97 A)
&rst
ixpk= 1047, nxpk= 15, iat=1655,1693, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1048 112 ILE HN 3.50 (# 1048:15 Single Ambig)
&rst
ixpk= 1048, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1678,1714,1715,
&end
#
# 112 ILE HA 112 ILE HN 3.50 (# 1049:15 Unique 2.80, 2.82 A)
&rst
ixpk= 1049, nxpk= 15, iat=1695,1693, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 HIS HB+ 112 ILE HN 3.50 (# 1050:15 Unique 2.58, 3.44 A)
&rst
ixpk= 1050, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1680,1681,
&end
#
# 112 ILE HB 112 ILE HN 2.80 (# 1051:15 Unique 2.18, 2.34 A)
&rst
ixpk= 1051, nxpk= 15, iat=1697,1693, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 ILE HG1- 112 ILE HN 2.80 (# 1052:15 Unique 2.25, 2.94 A)
&rst
ixpk= 1052, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1703,1704,
&end
#
# 0 AMB 15-2:1053 112 ILE HN 3.50 (# 1053:15 Single Ambig)
&rst
ixpk= 1053, nxpk= 15, iat= -1,1693, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1706,1707,1708,1699,1700,1701,
&end
#
# 0 AMB 15-2:1054 139 GLN HN 5.50 (# 1054:15 Single Ambig)
&rst
ixpk= 1054, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2070,2124,2050,2051,
&end
#
# 139 GLN HB+ 139 GLN HN 3.50 (# 1055:15 Unique 2.14, 2.89 A)
&rst
ixpk= 1055, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 0 AMB 15-2:1056 139 GLN HN 3.50 (# 1056:15 Single Ambig)
&rst
ixpk= 1056, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2087,2088,2093,2094,
&end
#
# 140 LEU HG 139 GLN HN 5.50 (# 1057:15 Unique 4.44, 4.89 A)
&rst
ixpk= 1057, nxpk= 15, iat=2129,2105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1058 139 GLN HN 4.50 (# 1058:15 Single Ambig)
&rst
ixpk= 1058, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=2040,2041,2042,2090,2091,
&end
#
# 0 AMB 15-2:1060 139 GLN HN 5.50 (# 1060:15 Single Ambig)
&rst
ixpk= 1060, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2141,2151,
&end
#
# 138 LYS HN 139 GLN HN 3.50 (# 1061:15 Unique 2.80, 2.92 A)
&rst
ixpk= 1061, nxpk= 15, iat=2083,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 140 LEU HN 139 GLN HN 3.50 (# 1062:15 Unique 2.66, 2.79 A)
&rst
ixpk= 1062, nxpk= 15, iat=2122,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 136 SER HB+ 139 GLN HN 5.50 (# 1064:15 Unique 2.89, 3.80 A)
&rst
ixpk= 1064, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2061,2062,
&end
#
# 139 GLN HA 139 GLN HN 3.50 (# 1065:15 Unique 2.80, 2.85 A)
&rst
ixpk= 1065, nxpk= 15, iat=2107,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 139 GLN HG+ 139 GLN HN 3.50 (# 1066:15 Unique 2.87, 3.49 A)
&rst
ixpk= 1066, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2112,2113,
&end
#
# 139 GLN HB- 139 GLN HN 2.80 (# 1067:15 Unique 2.14, 2.89 A)
&rst
ixpk= 1067, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2109,2110,
&end
#
# 138 LYS HB- 139 GLN HN 3.50 (# 1068:15 Unique 2.60, 3.39 A)
&rst
ixpk= 1068, nxpk= 15, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2087,2088,
&end
#
# 128 LEU HN 126 GLU HN 5.50 (# 1069:15 Unique 3.88, 3.94 A)
&rst
ixpk= 1069, nxpk= 15, iat=1933,1899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 ILE HA 126 GLU HN 5.50 (# 1070:15 Unique 5.26, 5.30 A)
&rst
ixpk= 1070, nxpk= 15, iat=1916,1899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 ILE QD1 126 GLU HN 5.50 (# 1071:15 Unique 4.10, 4.93 A)
&rst
ixpk= 1071, nxpk= 15, iat= -1,1899, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1927,1928,1929,
&end
#
# 0 AMB 15-2:1072 25 ILE HN 5.50 (# 1072:15 Single Ambig)
&rst
ixpk= 1072, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 344, 345, 750, 751,
&end
#
# 85 GLU HA 86 GLN HN 3.50 (# 1073:15 Unique 3.43, 3.49 A)
&rst
ixpk= 1073, nxpk= 15, iat=1306,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 141 ALA HN 140 LEU HN 3.50 (# 1074:15 Unique 2.50, 2.68 A)
&rst
ixpk= 1074, nxpk= 15, iat=2141,2122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 LYS HN 140 LEU HN 5.50 (# 1075:15 Unique 4.31, 4.41 A)
&rst
ixpk= 1075, nxpk= 15, iat=2083,2122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 139 GLN HN 140 LEU HN 3.50 (# 1076:15 Unique 2.66, 2.79 A)
&rst
ixpk= 1076, nxpk= 15, iat=2105,2122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 139 GLN HA 140 LEU HN 4.50 (# 1077:15 Unique 3.58, 3.62 A)
&rst
ixpk= 1077, nxpk= 15, iat=2107,2122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1078 140 LEU HN 3.50 (# 1078:15 Single Ambig)
&rst
ixpk= 1078, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2124,2070,
&end
#
# 139 GLN HB- 140 LEU HN 3.50 (# 1079:15 Unique 2.57, 3.13 A)
&rst
ixpk= 1079, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 139 GLN HB+ 140 LEU HN 3.50 (# 1080:15 Unique 2.57, 3.13 A)
&rst
ixpk= 1080, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 140 LEU HB+ 140 LEU HN 2.80 (# 1081:15 Unique 2.29, 3.02 A)
&rst
ixpk= 1081, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2126,2127,
&end
#
# 140 LEU HG 140 LEU HN 2.80 (# 1082:15 Unique 2.27, 2.58 A)
&rst
ixpk= 1082, nxpk= 15, iat=2129,2122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 134 ALA MB 140 LEU HN 3.50 (# 1083:15 Unique 2.97, 4.14 A)
&rst
ixpk= 1083, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2040,2041,2042,
&end
#
# 140 LEU HB- 140 LEU HN 3.50 (# 1084:15 Unique 2.29, 3.02 A)
&rst
ixpk= 1084, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2126,2127,
&end
#
# 140 LEU MDX 140 LEU HN 3.50 (# 1085:15 Unique 1.80, 4.28 A)
&rst
ixpk= 1085, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2131,2132,2133,2135,2136,2137,
&end
#
# 140 LEU MDY 140 LEU HN 4.50 (# 1086:15 Unique 1.80, 4.28 A)
&rst
ixpk= 1086, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2131,2132,2133,2135,2136,2137,
&end
#
# 125 GLU HN 126 GLU HN 3.50 (# 1087:15 Unique 2.73, 2.82 A)
&rst
ixpk= 1087, nxpk= 15, iat=1884,1899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 GLU HA 126 GLU HN 2.80 (# 1088:15 Unique 2.84, 2.85 A)
&rst
ixpk= 1088, nxpk= 15, iat=1901,1899, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 125 GLU HA 126 GLU HN 3.50 (# 1089:15 Unique 3.49, 3.50 A)
&rst
ixpk= 1089, nxpk= 15, iat=1886,1899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 GLU HG+ 126 GLU HN 3.50 (# 1090:15 Unique 2.10, 2.76 A)
&rst
ixpk= 1090, nxpk= 15, iat= -1,1899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1906,1907,
&end
#
# 126 GLU HB+ 126 GLU HN 2.80 (# 1091:15 Unique 2.44, 3.07 A)
&rst
ixpk= 1091, nxpk= 15, iat= -1,1899, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1903,1904,
&end
#
# 124 GLU HA 126 GLU HN 5.50 (# 1092:15 Unique 3.55, 3.60 A)
&rst
ixpk= 1092, nxpk= 15, iat=1871,1899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 LYS HD- 44 GLN HE2+ 5.50 (# 1093:15 Unique 1.87, 2.80 A)
&rst
ixpk= 1093, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 750, 751,
igr2= 706, 707,
&end
#
# 48 ASP HN 44 GLN HE2+ 5.50 (# 1094:15 Unique 3.41, 4.49 A)
&rst
ixpk= 1094, nxpk= 15, iat= 762, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 706, 707,
&end
#
# 44 GLN HA 44 GLN HE2+ 5.50 (# 1097:15 Unique 2.90, 3.39 A)
&rst
ixpk= 1097, nxpk= 15, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 706, 707,
&end
#
# 44 GLN HG- 44 GLN HE2+ 2.80 (# 1098:15 Unique 2.27, 3.31 A)
&rst
ixpk= 1098, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 701, 702,
igr2= 706, 707,
&end
#
# 47 LYS HB+ 44 GLN HE2+ 4.50 (# 1099:15 Unique 2.31, 2.78 A)
&rst
ixpk= 1099, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 744, 745,
igr2= 706, 707,
&end
#
# 24 ALA HN 25 ILE HN 2.80 (# 1101:15 Unique 2.74, 2.80 A)
&rst
ixpk= 1101, nxpk= 15, iat= 372, 382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 ILE HA 25 ILE HN 3.50 (# 1103:15 Unique 2.81, 2.85 A)
&rst
ixpk= 1103, nxpk= 15, iat= 384, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HA 25 ILE HN 5.50 (# 1104:15 Unique 3.71, 3.86 A)
&rst
ixpk= 1104, nxpk= 15, iat= 318, 382, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 GLN HA 25 ILE HN 4.50 (# 1105:15 Unique 3.54, 3.74 A)
&rst
ixpk= 1105, nxpk= 15, iat= 342, 382, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 25 ILE HB 25 ILE HN 2.80 (# 1106:15 Unique 2.51, 2.60 A)
&rst
ixpk= 1106, nxpk= 15, iat= 386, 382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1107 25 ILE HN 5.50 (# 1107:15 Single Ambig)
&rst
ixpk= 1107, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1025,1026, 744, 745,
&end
#
# 24 ALA MB 25 ILE HN 3.50 (# 1108:15 Unique 2.49, 3.47 A)
&rst
ixpk= 1108, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 376, 377, 378,
&end
#
# 0 AMB 15-2:1109 25 ILE HN 4.50 (# 1109:15 Single Ambig)
&rst
ixpk= 1109, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 747, 748, 395, 396, 397,
&end
#
# 25 ILE QG2 25 ILE HN 4.50 (# 1110:15 Unique 4.43, 4.58 A)
&rst
ixpk= 1110, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 388, 389, 390,
&end
#
# 0 AMB 15-2:1111 25 ILE HN 4.50 (# 1111:15 Single Ambig)
&rst
ixpk= 1111, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 374, 437, 438,
&end
#
# 0 AMB 15-2:1113 140 LEU HN 5.50 (# 1113:15 Single Ambig)
&rst
ixpk= 1113, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2112,2113,2075,2076,
&end
#
# 47 LYS HD+ 44 GLN HE2- 5.50 (# 1117:15 Unique 1.87, 2.80 A)
&rst
ixpk= 1117, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 750, 751,
igr2= 706, 707,
&end
#
# 0 AMB 15-2:1118 44 GLN HE2- 5.50 (# 1118:15 Single Ambig)
&rst
ixpk= 1118, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 799, 785,
igr2= 706, 707,
&end
#
# 44 GLN HA 44 GLN HE2- 5.50 (# 1121:15 Unique 2.90, 3.39 A)
&rst
ixpk= 1121, nxpk= 15, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 706, 707,
&end
#
# 44 GLN HG- 44 GLN HE2- 3.50 (# 1122:15 Unique 2.27, 3.31 A)
&rst
ixpk= 1122, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 701, 702,
igr2= 706, 707,
&end
#
# 0 AMB 15-2:1123 44 GLN HE2- 4.50 (# 1123:15 Single Ambig)
&rst
ixpk= 1123, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 744, 745, 744, 745,
igr2= 706, 707,
&end
#
# 47 LYS HD- 44 GLN HE2- 5.50 (# 1124:15 Unique 1.87, 2.80 A)
&rst
ixpk= 1124, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 750, 751,
igr2= 706, 707,
&end
#
# 0 AMB 15-2:1125 0 AMB 15-1:1125 5.50 (# 1125:15 Double Ambig)
&rst
ixpk= 1125, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 799, 785,
igr2= 706, 707, 706, 707,
&end
#
# 44 GLN HB- 44 GLN HE2+ 5.50 (# 1126:15 Unique 4.35, 4.76 A)
&rst
ixpk= 1126, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 698, 699,
igr2= 706, 707,
&end
#
# 87 GLY HN 86 GLN HN 5.50 (# 1127:15 Unique 2.04, 2.92 A)
&rst
ixpk= 1127, nxpk= 15, iat=1336,1319, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 LEU HA 86 GLN HN 4.50 (# 1128:15 Unique 3.55, 3.71 A)
&rst
ixpk= 1128, nxpk= 15, iat=1287,1319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 LEU MDX 86 GLN HN 4.50 (# 1129:15 Unique 3.12, 5.67 A)
&rst
ixpk= 1129, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1294,1295,1296,1298,1299,1300,
&end
#
# 85 GLU HN 86 GLN HN 3.50 (# 1130:15 Unique 2.66, 2.81 A)
&rst
ixpk= 1130, nxpk= 15, iat=1304,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HA 86 GLN HN 3.50 (# 1131:15 Unique 3.05, 3.40 A)
&rst
ixpk= 1131, nxpk= 15, iat= 263,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1132 86 GLN HN 3.50 (# 1132:15 Single Ambig)
&rst
ixpk= 1132, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1321, 246,
&end
#
# 85 GLU HB+ 86 GLN HN 3.50 (# 1133:15 Unique 2.60, 3.46 A)
&rst
ixpk= 1133, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1308,1309,
&end
#
# 85 GLU HB- 86 GLN HN 3.50 (# 1134:15 Unique 2.60, 3.46 A)
&rst
ixpk= 1134, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1308,1309,
&end
#
# 86 GLN HB+ 86 GLN HN 2.80 (# 1135:15 Unique 2.43, 3.27 A)
&rst
ixpk= 1135, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1323,1324,
&end
#
# 0 AMB 15-2:1136 86 GLN HN 3.50 (# 1136:15 Single Ambig)
&rst
ixpk= 1136, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1289,1290,1502,1503,
&end
#
# 8 PRO HD- 79 MET HN 4.50 (# 1138:15 Unique 2.31, 3.16 A)
&rst
ixpk= 1138, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 129, 130,
&end
#
# 37 TYR HD 79 MET HN 5.50 (# 1139:15 Unique 5.27, 6.06 A)
&rst
ixpk= 1139, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 582, 591,
&end
#
# 79 MET HA 79 MET HN 4.50 (# 1140:15 Unique 2.93, 2.95 A)
&rst
ixpk= 1140, nxpk= 15, iat=1207,1205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 PHE HA 79 MET HN 4.50 (# 1141:15 Unique 2.19, 2.85 A)
&rst
ixpk= 1141, nxpk= 15, iat= 110,1205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 GLY HA+ 79 MET HN 2.80 (# 1142:15 Unique 2.49, 2.62 A)
&rst
ixpk= 1142, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1200,1201,
&end
#
# 78 GLY HA- 79 MET HN 2.80 (# 1143:15 Unique 2.49, 2.62 A)
&rst
ixpk= 1143, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1200,1201,
&end
#
# 6 TYR HB+ 79 MET HN 5.50 (# 1144:15 Unique 2.90, 3.64 A)
&rst
ixpk= 1144, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 92,
&end
#
# 0 AMB 15-2:1145 79 MET HN 4.50 (# 1145:15 Single Ambig)
&rst
ixpk= 1145, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 91, 92,1212,1213,
&end
#
# 79 MET HB+ 79 MET HN 4.50 (# 1146:15 Unique 2.64, 3.31 A)
&rst
ixpk= 1146, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1209,1210,
&end
#
# 0 AMB 15-2:1147 79 MET HN 5.50 (# 1147:15 Single Ambig)
&rst
ixpk= 1147, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 495,1190,1191,1192,
&end
#
# 32 LEU MDY 79 MET HN 4.50 (# 1148:15 Unique 2.56, 4.51 A)
&rst
ixpk= 1148, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 72 CYS HN 71 GLU HN 4.50 (# 1149:15 Unique 2.85, 2.92 A)
&rst
ixpk= 1149, nxpk= 15, iat=1115,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1151 71 GLU HN 4.50 (# 1151:15 Single Ambig)
&rst
ixpk= 1151, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1096,1064,
&end
#
# 71 GLU HA 71 GLU HN 3.50 (# 1152:15 Unique 2.76, 2.79 A)
&rst
ixpk= 1152, nxpk= 15, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 PRO HD+ 71 GLU HN 5.50 (# 1153:15 Unique 2.90, 3.66 A)
&rst
ixpk= 1153, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1087,1088,
&end
#
# 70 PRO HD- 71 GLU HN 4.50 (# 1154:15 Unique 2.90, 3.66 A)
&rst
ixpk= 1154, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1087,1088,
&end
#
# 70 PRO HB+ 71 GLU HN 4.50 (# 1155:15 Unique 2.30, 3.10 A)
&rst
ixpk= 1155, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1093,1094,
&end
#
# 71 GLU HG+ 71 GLU HN 4.50 (# 1156:15 Unique 1.99, 2.79 A)
&rst
ixpk= 1156, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1107,1108,
&end
#
# 71 GLU HG- 71 GLU HN 4.50 (# 1157:15 Unique 1.99, 2.79 A)
&rst
ixpk= 1157, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1107,1108,
&end
#
# 71 GLU HB+ 71 GLU HN 2.80 (# 1158:15 Unique 2.28, 2.99 A)
&rst
ixpk= 1158, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1104,1105,
&end
#
# 70 PRO HB- 71 GLU HN 3.50 (# 1159:15 Unique 2.30, 3.10 A)
&rst
ixpk= 1159, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1093,1094,
&end
#
# 69 ARG HB+ 71 GLU HN 4.50 (# 1160:15 Unique 2.59, 3.34 A)
&rst
ixpk= 1160, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1066,1067,
&end
#
# 79 MET HG- 79 MET HN 3.50 (# 1161:15 Unique 3.42, 3.94 A)
&rst
ixpk= 1161, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1212,1213,
&end
#
# 3 LEU HA 6 TYR HN 4.50 (# 1162:15 Unique 3.45, 3.85 A)
&rst
ixpk= 1162, nxpk= 15, iat= 47, 87, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 5 ASP HN 6 TYR HN 2.80 (# 1168:15 Unique 2.48, 2.64 A)
&rst
ixpk= 1168, nxpk= 15, iat= 75, 87, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 7 PHE HN 6 TYR HN 2.80 (# 1169:15 Unique 1.99, 2.38 A)
&rst
ixpk= 1169, nxpk= 15, iat= 108, 87, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 6 TYR HD 6 TYR HN 3.50 (# 1170:15 Unique 2.39, 3.73 A)
&rst
ixpk= 1170, nxpk= 15, iat= -1, 87, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 95, 104,
&end
#
# 5 ASP HA 6 TYR HN 4.50 (# 1171:15 Unique 3.40, 3.52 A)
&rst
ixpk= 1171, nxpk= 15, iat= 77, 87, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 TYR HA 6 TYR HN 3.50 (# 1172:15 Unique 2.92, 2.95 A)
&rst
ixpk= 1172, nxpk= 15, iat= 89, 87, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ASP HB- 6 TYR HN 4.50 (# 1173:15 Unique 2.87, 3.53 A)
&rst
ixpk= 1173, nxpk= 15, iat= -1, 87, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 79, 80,
&end
#
# 6 TYR HB- 6 TYR HN 3.50 (# 1174:15 Unique 2.34, 3.03 A)
&rst
ixpk= 1174, nxpk= 15, iat= -1, 87, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 91, 92,
&end
#
# 0 AMB 15-2:1175 129 GLU HN 4.50 (# 1175:15 Single Ambig)
&rst
ixpk= 1175, nxpk= 15, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2007,2008,1991,
&end
#
# 128 LEU HB+ 129 GLU HN 3.50 (# 1176:15 Unique 2.63, 3.13 A)
&rst
ixpk= 1176, nxpk= 15, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1937,1938,
&end
#
# 140 LEU HA 144 ILE HN 5.50 (# 1177:15 Unique 4.01, 4.26 A)
&rst
ixpk= 1177, nxpk= 15, iat=2124,2182, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 ASP HN 144 ILE HN 5.50 (# 1178:15 Unique 3.94, 4.07 A)
&rst
ixpk= 1178, nxpk= 15, iat=2151,2182, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1179 144 ILE HN 5.50 (# 1179:15 Single Ambig)
&rst
ixpk= 1179, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2153,2203,
&end
#
# 54 GLY HN 52 ASN HN 4.50 (# 1180:15 Unique 3.91, 4.02 A)
&rst
ixpk= 1180, nxpk= 15, iat= 846, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ASN HD2+ 52 ASN HN 4.50 (# 1181:15 Unique 2.28, 3.27 A)
&rst
ixpk= 1181, nxpk= 15, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 827, 828,
&end
#
# 52 ASN HD2- 52 ASN HN 5.50 (# 1182:15 Unique 2.28, 3.27 A)
&rst
ixpk= 1182, nxpk= 15, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 827, 828,
&end
#
# 52 ASN HB+ 52 ASN HN 2.80 (# 1183:15 Unique 2.15, 2.86 A)
&rst
ixpk= 1183, nxpk= 15, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 822, 823,
&end
#
# 51 ILE HB 52 ASN HN 2.80 (# 1184:15 Unique 2.44, 2.76 A)
&rst
ixpk= 1184, nxpk= 15, iat= 803, 818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 ILE QG2 52 ASN HN 3.50 (# 1185:15 Unique 3.39, 4.27 A)
&rst
ixpk= 1185, nxpk= 15, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 805, 806, 807,
&end
#
# 53 ASN HN 52 ASN HN 3.50 (# 1186:15 Unique 2.64, 2.75 A)
&rst
ixpk= 1186, nxpk= 15, iat= 832, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 ILE HN 52 ASN HN 2.80 (# 1187:15 Unique 2.51, 2.66 A)
&rst
ixpk= 1187, nxpk= 15, iat= 799, 818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 ASN HA 52 ASN HN 3.50 (# 1188:15 Unique 2.79, 2.83 A)
&rst
ixpk= 1188, nxpk= 15, iat= 820, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 SER HA 52 ASN HN 3.50 (# 1189:15 Unique 2.85, 3.19 A)
&rst
ixpk= 1189, nxpk= 15, iat= 776, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 THR HA 52 ASN HN 5.50 (# 1190:15 Unique 4.26, 4.42 A)
&rst
ixpk= 1190, nxpk= 15, iat= 787, 818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 ILE HA 52 ASN HN 4.50 (# 1191:15 Unique 3.56, 3.59 A)
&rst
ixpk= 1191, nxpk= 15, iat= 801, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 ASN HB- 52 ASN HN 4.50 (# 1192:15 Unique 4.58, 5.30 A)
&rst
ixpk= 1192, nxpk= 15, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 836, 837,
&end
#
# 131 LEU HN 129 GLU HN 5.50 (# 1193:15 Unique 4.12, 4.21 A)
&rst
ixpk= 1193, nxpk= 15, iat=1984,1952, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 GLN HN 129 GLU HN 3.50 (# 1194:15 Unique 2.58, 2.65 A)
&rst
ixpk= 1194, nxpk= 15, iat=1967,1952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 GLU HA 129 GLU HN 4.50 (# 1195:15 Unique 3.73, 3.94 A)
&rst
ixpk= 1195, nxpk= 15, iat=1901,1952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 GLU HA 129 GLU HN 2.80 (# 1196:15 Unique 2.85, 2.86 A)
&rst
ixpk= 1196, nxpk= 15, iat=1954,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 127 ILE HA 129 GLU HN 4.50 (# 1197:15 Unique 4.29, 4.41 A)
&rst
ixpk= 1197, nxpk= 15, iat=1916,1952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 GLU HG+ 129 GLU HN 3.50 (# 1198:15 Unique 2.82, 3.59 A)
&rst
ixpk= 1198, nxpk= 15, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1959,1960,
&end
#
# 130 GLN HB+ 129 GLU HN 4.50 (# 1199:15 Unique 4.68, 5.43 A)
&rst
ixpk= 1199, nxpk= 15, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1971,1972,
&end
#
# 128 LEU HB- 129 GLU HN 3.50 (# 1200:15 Unique 2.63, 3.13 A)
&rst
ixpk= 1200, nxpk= 15, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1937,1938,
&end
#
# 0 AMB 15-2:1201 129 GLU HN 4.50 (# 1201:15 Single Ambig)
&rst
ixpk= 1201, nxpk= 15, iat= -1,1952, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
2017,2018,1942,1943,1944,1946,1947,1948,1942,1943,
1944,1946,1947,1948,
&end
#
# 143 ILE HA 144 ILE HN 4.50 (# 1202:15 Unique 3.54, 3.57 A)
&rst
ixpk= 1202, nxpk= 15, iat=2165,2182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 144 ILE HG1- 144 ILE HN 3.50 (# 1203:15 Unique 2.21, 3.10 A)
&rst
ixpk= 1203, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2192,2193,
&end
#
# 145 SER HN 144 ILE HN 3.50 (# 1204:15 Unique 2.56, 2.68 A)
&rst
ixpk= 1204, nxpk= 15, iat=2201,2182, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1205 144 ILE HN 5.50 (# 1205:15 Single Ambig)
&rst
ixpk= 1205, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2205,2206, 68, 69, 66,
&end
#
# 0 AMB 15-2:1206 144 ILE HN 3.50 (# 1206:15 Single Ambig)
&rst
ixpk= 1206, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2184,2143,
&end
#
# 0 AMB 15-2:1207 144 ILE HN 2.80 (# 1207:15 Single Ambig)
&rst
ixpk= 1207, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2186,2167,
&end
#
# 141 ALA MB 144 ILE HN 5.50 (# 1208:15 Unique 4.83, 5.42 A)
&rst
ixpk= 1208, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2145,2146,2147,
&end
#
# 144 ILE HG1+ 144 ILE HN 3.50 (# 1209:15 Unique 2.21, 3.10 A)
&rst
ixpk= 1209, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2192,2193,
&end
#
# 0 AMB 15-2:1210 144 ILE HN 3.50 (# 1210:15 Single Ambig)
&rst
ixpk= 1210, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=2169,2170,2171,1829,1830,1831,1833,1834,1835, 189,
190,
&end
#
# 0 AMB 15-2:1211 144 ILE HN 4.50 (# 1211:15 Single Ambig)
&rst
ixpk= 1211, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2188,2189,2190, 192, 193, 194,
&end
#
# 144 ILE QD1 144 ILE HN 4.50 (# 1212:15 Unique 3.17, 4.24 A)
&rst
ixpk= 1212, nxpk= 15, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2195,2196,2197,
&end
#
# 118 LEU HN 119 SER HN 3.50 (# 1213:15 Unique 2.51, 2.64 A)
&rst
ixpk= 1213, nxpk= 15, iat=1775,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1214 119 SER HN 4.50 (# 1214:15 Single Ambig)
&rst
ixpk= 1214, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1765,1839,
&end
#
# 120 GLU HN 119 SER HN 3.50 (# 1215:15 Unique 2.79, 2.85 A)
&rst
ixpk= 1215, nxpk= 15, iat=1805,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1216 119 SER HN 2.80 (# 1216:15 Single Ambig)
&rst
ixpk= 1216, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1796,1750,1777,
&end
#
# 115 ILE HA 119 SER HN 4.50 (# 1217:15 Unique 3.90, 4.02 A)
&rst
ixpk= 1217, nxpk= 15, iat=1731,1794, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 LEU HB+ 119 SER HN 3.50 (# 1218:15 Unique 2.74, 3.86 A)
&rst
ixpk= 1218, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1779,1780,
&end
#
# 118 LEU HB- 119 SER HN 3.50 (# 1219:15 Unique 2.74, 3.86 A)
&rst
ixpk= 1219, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1779,1780,
&end
#
# 118 LEU MDX 119 SER HN 4.50 (# 1220:15 Unique 2.09, 4.62 A)
&rst
ixpk= 1220, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1784,1785,1786,1788,1789,1790,
&end
#
# 0 AMB 15-2:1221 119 SER HN 4.50 (# 1221:15 Single Ambig)
&rst
ixpk= 1221, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1735,1736,1737,1846,
&end
#
# 51 ILE HG1- 52 ASN HN 5.50 (# 1222:15 Unique 4.41, 4.85 A)
&rst
ixpk= 1222, nxpk= 15, iat= -1, 818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 809, 810,
&end
#
# 116 GLN HN 115 ILE HN 3.50 (# 1224:15 Unique 2.69, 2.78 A)
&rst
ixpk= 1224, nxpk= 15, iat=1748,1729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 GLN HA 115 ILE HN 5.50 (# 1225:15 Unique 5.30, 5.37 A)
&rst
ixpk= 1225, nxpk= 15, iat=1750,1729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1226 115 ILE HN 3.50 (# 1226:15 Single Ambig)
&rst
ixpk= 1226, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1695,1721,
&end
#
# 115 ILE HA 115 ILE HN 3.50 (# 1227:15 Unique 2.72, 2.75 A)
&rst
ixpk= 1227, nxpk= 15, iat=1731,1729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 GLN HB+ 115 ILE HN 5.50 (# 1228:15 Unique 4.69, 5.55 A)
&rst
ixpk= 1228, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1752,1753,
&end
#
# 115 ILE HB 115 ILE HN 2.80 (# 1229:15 Unique 2.04, 2.10 A)
&rst
ixpk= 1229, nxpk= 15, iat=1733,1729, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 115 ILE HG1- 115 ILE HN 3.50 (# 1230:15 Unique 2.48, 3.14 A)
&rst
ixpk= 1230, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1739,1740,
&end
#
# 0 AMB 15-2:1231 115 ILE HN 2.80 (# 1231:15 Single Ambig)
&rst
ixpk= 1231, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1723,1724,1725,1739,1740,
&end
#
# 115 ILE QG2 115 ILE HN 3.50 (# 1232:15 Unique 3.94, 4.32 A)
&rst
ixpk= 1232, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1735,1736,1737,
&end
#
# 121 LEU HN 119 SER HN 5.50 (# 1235:15 Unique 4.02, 4.12 A)
&rst
ixpk= 1235, nxpk= 15, iat=1820,1794, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1237 119 SER HN 5.50 (# 1237:15 Single Ambig)
&rst
ixpk= 1237, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1809,1810,1752,1753,
&end
#
# 0 AMB 15-2:1238 119 SER HN 5.50 (# 1238:15 Single Ambig)
&rst
ixpk= 1238, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1733,1559,
&end
#
# 0 AMB 15-2:1239 115 ILE HN 4.50 (# 1239:15 Single Ambig)
&rst
ixpk= 1239, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1678,1714,1715,
&end
#
# 103 LEU MDX 115 ILE HN 4.50 (# 1240:15 Unique 2.43, 4.21 A)
&rst
ixpk= 1240, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 79 MET HN 78 GLY HN 5.50 (# 1244:15 Unique 4.32, 4.36 A)
&rst
ixpk= 1244, nxpk= 15, iat=1205,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 104 SER HN 78 GLY HN 4.50 (# 1245:15 Unique 2.61, 2.72 A)
&rst
ixpk= 1245, nxpk= 15, iat=1600,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1246 78 GLY HN 5.50 (# 1246:15 Single Ambig)
&rst
ixpk= 1246, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1621,1581,
&end
#
# 37 TYR HD 78 GLY HN 4.50 (# 1247:15 Unique 3.33, 5.43 A)
&rst
ixpk= 1247, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 582, 591,
&end
#
# 77 THR HA 78 GLY HN 2.80 (# 1248:15 Unique 2.18, 2.20 A)
&rst
ixpk= 1248, nxpk= 15, iat=1186,1198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 105 ALA HA 78 GLY HN 4.50 (# 1249:15 Unique 3.49, 3.58 A)
&rst
ixpk= 1249, nxpk= 15, iat=1613,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 GLY HA+ 78 GLY HN 4.50 (# 1250:15 Unique 2.75, 2.82 A)
&rst
ixpk= 1250, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1200,1201,
&end
#
# 0 AMB 15-2:1251 78 GLY HN 5.50 (# 1251:15 Single Ambig)
&rst
ixpk= 1251, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1602,1164,
&end
#
# 78 GLY HA- 78 GLY HN 4.50 (# 1253:15 Unique 2.75, 2.82 A)
&rst
ixpk= 1253, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1200,1201,
&end
#
# 104 SER HB+ 78 GLY HN 4.50 (# 1254:15 Unique 3.62, 4.51 A)
&rst
ixpk= 1254, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 104 SER HB- 78 GLY HN 4.50 (# 1255:15 Unique 3.62, 4.51 A)
&rst
ixpk= 1255, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1604,1605,
&end
#
# 77 THR MG2 78 GLY HN 3.50 (# 1256:15 Unique 3.05, 3.73 A)
&rst
ixpk= 1256, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1190,1191,1192,
&end
#
# 103 LEU MDY 78 GLY HN 4.50 (# 1257:15 Unique 3.26, 5.75 A)
&rst
ixpk= 1257, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 0 AMB 15-2:1258 78 GLY HN 5.50 (# 1258:15 Single Ambig)
&rst
ixpk= 1258, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1585,1586,1169,1170,
&end
#
# 30 VAL HN 31 SER HN 3.50 (# 1259:15 Unique 3.08, 3.14 A)
&rst
ixpk= 1259, nxpk= 15, iat= 461, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 LEU HN 31 SER HN 3.50 (# 1260:15 Unique 2.64, 2.76 A)
&rst
ixpk= 1260, nxpk= 15, iat= 488, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 SER HB- 31 SER HN 3.50 (# 1262:15 Unique 2.39, 3.13 A)
&rst
ixpk= 1262, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 481, 482,
&end
#
# 31 SER HB+ 31 SER HN 3.50 (# 1263:15 Unique 2.39, 3.13 A)
&rst
ixpk= 1263, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 481, 482,
&end
#
# 30 VAL HB 31 SER HN 5.50 (# 1264:15 Unique 4.10, 4.16 A)
&rst
ixpk= 1264, nxpk= 15, iat= 465, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1265 31 SER HN 2.80 (# 1265:15 Single Ambig)
&rst
ixpk= 1265, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 31 SER HA 31 SER HN 3.50 (# 1267:15 Unique 2.78, 2.80 A)
&rst
ixpk= 1267, nxpk= 15, iat= 479, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1268 31 SER HN 5.50 (# 1268:15 Single Ambig)
&rst
ixpk= 1268, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 492, 493, 448, 449, 455, 456, 457,
&end
#
# 33 LEU HN 31 SER HN 5.50 (# 1269:15 Unique 4.06, 4.23 A)
&rst
ixpk= 1269, nxpk= 15, iat= 507, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 MET HA 31 SER HN 5.50 (# 1270:15 Unique 4.06, 4.18 A)
&rst
ixpk= 1270, nxpk= 15, iat= 446, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 LEU HG 31 SER HN 5.50 (# 1271:15 Unique 4.12, 4.51 A)
&rst
ixpk= 1271, nxpk= 15, iat= 495, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 ASN HN 37 TYR HN 3.50 (# 1273:15 Unique 2.83, 2.99 A)
&rst
ixpk= 1273, nxpk= 15, iat= 560, 574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 TYR HD 37 TYR HN 3.50 (# 1274:15 Unique 2.55, 3.88 A)
&rst
ixpk= 1274, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 582, 591,
&end
#
# 37 TYR HA 37 TYR HN 3.50 (# 1275:15 Unique 2.91, 2.93 A)
&rst
ixpk= 1275, nxpk= 15, iat= 576, 574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 LEU HA 37 TYR HN 4.50 (# 1276:15 Unique 3.46, 3.64 A)
&rst
ixpk= 1276, nxpk= 15, iat= 490, 574, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1277 37 TYR HN 4.50 (# 1277:15 Single Ambig)
&rst
ixpk= 1277, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 605, 606,1169,1170,
&end
#
# 38 ILE HN 37 TYR HN 2.80 (# 1278:15 Unique 2.36, 2.43 A)
&rst
ixpk= 1278, nxpk= 15, iat= 595, 574, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 ASN HA 37 TYR HN 3.50 (# 1279:15 Unique 2.64, 2.76 A)
&rst
ixpk= 1279, nxpk= 15, iat= 562, 574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 TYR HB- 37 TYR HN 3.50 (# 1280:15 Unique 2.29, 2.96 A)
&rst
ixpk= 1280, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 578, 579,
&end
#
# 28 SER HB+ 28 SER HN 2.80 (# 1282:15 Unique 2.30, 2.85 A)
&rst
ixpk= 1282, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 437, 438,
&end
#
# 27 PHE HB+ 28 SER HN 3.50 (# 1283:15 Unique 3.01, 3.48 A)
&rst
ixpk= 1283, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 417, 418,
&end
#
# 0 AMB 15-2:1284 28 SER HN 5.50 (# 1284:15 Single Ambig)
&rst
ixpk= 1284, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 448, 449,1025,1026, 455, 456, 457,
&end
#
# 27 PHE HN 28 SER HN 3.50 (# 1285:15 Unique 2.62, 2.78 A)
&rst
ixpk= 1285, nxpk= 15, iat= 413, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 29 MET HN 28 SER HN 3.50 (# 1286:15 Unique 2.39, 2.58 A)
&rst
ixpk= 1286, nxpk= 15, iat= 444, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1288 28 SER HN 3.50 (# 1288:15 Single Ambig)
&rst
ixpk= 1288, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 435, 415,
&end
#
# 25 ILE HA 28 SER HN 3.50 (# 1289:15 Unique 3.11, 3.21 A)
&rst
ixpk= 1289, nxpk= 15, iat= 384, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1290 28 SER HN 5.50 (# 1290:15 Single Ambig)
&rst
ixpk= 1290, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 451, 452, 405, 406,
&end
#
# 0 AMB 15-2:1291 28 SER HN 5.50 (# 1291:15 Single Ambig)
&rst
ixpk= 1291, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 395, 396, 397, 747, 748,
&end
#
# 0 AMB 15-2:1292 31 SER HN 5.50 (# 1292:15 Single Ambig)
&rst
ixpk= 1292, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 444, 179,
&end
#
# 0 AMB 15-2:1294 37 TYR HN 4.50 (# 1294:15 Single Ambig)
&rst
ixpk= 1294, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1172,1173,1166,1167,1169,1170,
&end
#
# 0 AMB 15-2:1295 37 TYR HN 4.50 (# 1295:15 Single Ambig)
&rst
ixpk= 1295, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 605, 606, 601, 602, 603,
&end
#
# 32 LEU MDY 37 TYR HN 5.50 (# 1296:15 Unique 4.98, 6.40 A)
&rst
ixpk= 1296, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 37 TYR HB+ 37 TYR HN 3.50 (# 1297:15 Unique 2.29, 2.96 A)
&rst
ixpk= 1297, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 578, 579,
&end
#
# 30 VAL HN 28 SER HN 4.50 (# 1298:15 Unique 3.94, 4.21 A)
&rst
ixpk= 1298, nxpk= 15, iat= 461, 433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1299 28 SER HN 5.50 (# 1299:15 Single Ambig)
&rst
ixpk= 1299, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 448, 449, 392, 393, 364, 365,
&end
#
# 0 AMB 15-2:1300 28 SER HN 5.50 (# 1300:15 Single Ambig)
&rst
ixpk= 1300, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
472, 473,
&end
#
# 100 LEU MDX 28 SER HN 5.50 (# 1301:15 Unique 3.87, 6.08 A)
&rst
ixpk= 1301, nxpk= 15, iat= -1, 433, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1545,1546,1547,1549,1550,1551,
&end
#
# 74 ALA HA 39 SER HN 4.50 (# 1305:15 Unique 3.57, 3.83 A)
&rst
ixpk= 1305, nxpk= 15, iat=1135, 614, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 LEU MDX 39 SER HN 4.50 (# 1306:15 Unique 3.82, 5.04 A)
&rst
ixpk= 1306, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 0 AMB 15-2:1307 39 SER HN 3.50 (# 1307:15 Single Ambig)
&rst
ixpk= 1307, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 605, 606, 601, 602, 603,
&end
#
# 38 ILE HA 39 SER HN 2.80 (# 1308:15 Unique 2.34, 2.44 A)
&rst
ixpk= 1308, nxpk= 15, iat= 597, 614, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 TYR HB+ 39 SER HN 4.50 (# 1309:15 Unique 2.61, 2.98 A)
&rst
ixpk= 1309, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 658, 659,
&end
#
# 38 ILE HB 39 SER HN 2.80 (# 1310:15 Unique 2.13, 2.40 A)
&rst
ixpk= 1310, nxpk= 15, iat= 599, 614, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 LEU HG 39 SER HN 4.50 (# 1311:15 Unique 3.08, 3.38 A)
&rst
ixpk= 1311, nxpk= 15, iat=1150, 614, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 ILE HG1+ 39 SER HN 4.50 (# 1312:15 Unique 3.34, 4.20 A)
&rst
ixpk= 1312, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 605, 606,
&end
#
# 58 ILE HN 57 TYR HN 4.50 (# 1313:15 Unique 3.76, 4.15 A)
&rst
ixpk= 1313, nxpk= 15, iat= 909, 888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 SER HB+ 39 SER HN 3.50 (# 1315:15 Unique 2.39, 3.19 A)
&rst
ixpk= 1315, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 618, 619,
&end
#
# 0 AMB 15-2:1316 39 SER HN 5.50 (# 1316:15 Single Ambig)
&rst
ixpk= 1316, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 654, 649, 650,
&end
#
# 0 AMB 15-2:1318 39 SER HN 5.50 (# 1318:15 Single Ambig)
&rst
ixpk= 1318, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 608, 609, 610, 688, 689, 690,
&end
#
# 0 AMB 15-2:1322 43 ILE HN 3.50 (# 1322:15 Single Ambig)
&rst
ixpk= 1322, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
&end
#
# 45 ALA HN 43 ILE HN 5.50 (# 1323:15 Unique 3.98, 4.11 A)
&rst
ixpk= 1323, nxpk= 15, iat= 711, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 42 TYR HN 43 ILE HN 3.50 (# 1324:15 Unique 2.57, 2.66 A)
&rst
ixpk= 1324, nxpk= 15, iat= 654, 675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 GLN HN 43 ILE HN 3.50 (# 1325:15 Unique 2.72, 2.77 A)
&rst
ixpk= 1325, nxpk= 15, iat= 694, 675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1326 43 ILE HN 5.50 (# 1326:15 Single Ambig)
&rst
ixpk= 1326, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 642, 618, 619,
&end
#
# 40 GLU HA 43 ILE HN 4.50 (# 1327:15 Unique 3.13, 3.35 A)
&rst
ixpk= 1327, nxpk= 15, iat= 627, 675, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1328 43 ILE HN 3.50 (# 1328:15 Single Ambig)
&rst
ixpk= 1328, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 658, 659, 677,
&end
#
# 42 TYR HB- 43 ILE HN 4.50 (# 1329:15 Unique 2.33, 3.08 A)
&rst
ixpk= 1329, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 658, 659,
&end
#
# 0 AMB 15-2:1330 43 ILE HN 5.50 (# 1330:15 Single Ambig)
&rst
ixpk= 1330, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 451, 452, 644, 645,
&end
#
# 0 AMB 15-2:1331 43 ILE HN 2.80 (# 1331:15 Single Ambig)
&rst
ixpk= 1331, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 685, 686, 679,
&end
#
# 43 ILE QD1 43 ILE HN 3.50 (# 1332:15 Unique 2.45, 4.14 A)
&rst
ixpk= 1332, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 688, 689, 690,
&end
#
# 43 ILE HG1- 43 ILE HN 3.50 (# 1333:15 Unique 1.82, 2.62 A)
&rst
ixpk= 1333, nxpk= 15, iat= -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 685, 686,
&end
#
# 57 TYR HA 57 TYR HN 5.50 (# 1334:15 Unique 2.87, 2.92 A)
&rst
ixpk= 1334, nxpk= 15, iat= 890, 888, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 TYR HN 57 TYR HN 4.50 (# 1335:15 Unique 2.10, 2.65 A)
&rst
ixpk= 1335, nxpk= 15, iat= 867, 888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 PRO HA 57 TYR HN 5.50 (# 1337:15 Unique 3.59, 3.93 A)
&rst
ixpk= 1337, nxpk= 15, iat= 863, 888, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 SER HN 10 SER HN 3.50 (# 1338:15 Unique 2.74, 2.95 A)
&rst
ixpk= 1338, nxpk= 15, iat= 168, 157, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 SER HA 10 SER HN 2.80 (# 1340:15 Unique 2.17, 2.58 A)
&rst
ixpk= 1340, nxpk= 15, iat= 159, 157, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 9 GLU HA 10 SER HN 3.50 (# 1341:15 Unique 2.34, 3.11 A)
&rst
ixpk= 1341, nxpk= 15, iat= 144, 157, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 GLU HG+ 10 SER HN 4.50 (# 1342:15 Unique 1.82, 3.03 A)
&rst
ixpk= 1342, nxpk= 15, iat= -1, 157, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 149, 150,
&end
#
# 9 GLU HB+ 10 SER HN 3.50 (# 1343:15 Unique 2.16, 3.36 A)
&rst
ixpk= 1343, nxpk= 15, iat= -1, 157, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 146, 147,
&end
#
# 0 AMB 15-2:1345 39 SER HN 4.50 (# 1345:15 Single Ambig)
&rst
ixpk= 1345, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 608, 609, 610, 688, 689, 690,
&end
#
# 0 AMB 15-2:1346 0 AMB 15-1:1346 3.50 (# 1346:15 Double Ambig)
&rst
ixpk= 1346, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 618, 619, 776,
igr2= 614, 832,
&end
#
# 47 LYS HN 49 SER HN 5.50 (# 1349:15 Unique 4.19, 4.46 A)
&rst
ixpk= 1349, nxpk= 15, iat= 740, 774, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 ASP HN 49 SER HN 3.50 (# 1352:15 Unique 2.69, 2.87 A)
&rst
ixpk= 1352, nxpk= 15, iat= 762, 774, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 THR HN 49 SER HN 3.50 (# 1353:15 Unique 2.59, 2.67 A)
&rst
ixpk= 1353, nxpk= 15, iat= 785, 774, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 SER HB- 49 SER HN 2.80 (# 1356:15 Unique 2.44, 3.07 A)
&rst
ixpk= 1356, nxpk= 15, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 778, 779,
&end
#
# 49 SER HB+ 49 SER HN 3.50 (# 1357:15 Unique 2.44, 3.07 A)
&rst
ixpk= 1357, nxpk= 15, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 778, 779,
&end
#
# 46 ILE HA 49 SER HN 4.50 (# 1358:15 Unique 3.21, 3.59 A)
&rst
ixpk= 1358, nxpk= 15, iat= 723, 774, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ASP HB- 49 SER HN 2.80 (# 1359:15 Unique 2.36, 3.34 A)
&rst
ixpk= 1359, nxpk= 15, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 766, 767,
&end
#
# 0 AMB 15-2:1360 49 SER HN 5.50 (# 1360:15 Single Ambig)
&rst
ixpk= 1360, nxpk= 15, iat= -1, 774, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 803, 744, 745,
&end
#
# 144 ILE HN 145 SER HN 3.50 (# 1361:15 Unique 2.56, 2.68 A)
&rst
ixpk= 1361, nxpk= 15, iat=2182,2201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HN 145 SER HN 2.80 (# 1362:15 Unique 2.65, 2.78 A)
&rst
ixpk= 1362, nxpk= 15, iat=2212,2201, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1363 145 SER HN 2.80 (# 1363:15 Single Ambig)
&rst
ixpk= 1363, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2203,2153,
&end
#
# 145 SER HB+ 145 SER HN 2.80 (# 1364:15 Unique 2.52, 3.08 A)
&rst
ixpk= 1364, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2205,2206,
&end
#
# 0 AMB 15-2:1365 145 SER HN 3.50 (# 1365:15 Single Ambig)
&rst
ixpk= 1365, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2184,2143,
&end
#
# 144 ILE HB 145 SER HN 3.50 (# 1366:15 Unique 2.31, 2.59 A)
&rst
ixpk= 1366, nxpk= 15, iat=2186,2201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 ILE HG1- 145 SER HN 4.50 (# 1367:15 Unique 3.95, 4.67 A)
&rst
ixpk= 1367, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2192,2193,
&end
#
# 0 AMB 15-2:1368 145 SER HN 4.50 (# 1368:15 Single Ambig)
&rst
ixpk= 1368, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2169,2170,2171,1829,1830,1831,1833,1834,1835,2176,
2177,2178,
&end
#
# 144 ILE QG2 145 SER HN 4.50 (# 1369:15 Unique 2.84, 4.09 A)
&rst
ixpk= 1369, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2188,2189,2190,
&end
#
# 144 ILE QD1 145 SER HN 5.50 (# 1370:15 Unique 4.99, 5.67 A)
&rst
ixpk= 1370, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2195,2196,2197,
&end
#
# 144 ILE HG1+ 145 SER HN 4.50 (# 1372:15 Unique 3.95, 4.67 A)
&rst
ixpk= 1372, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2192,2193,
&end
#
# 0 AMB 15-2:1374 0 AMB 15-1:1374 5.50 (# 1374:15 Double Ambig)
&rst
ixpk= 1374, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 618, 619, 642,
igr2= 649, 650, 649, 650,
&end
#
# 0 AMB 15-2:1377 41 ASN HD2- 5.50 (# 1377:15 Single Ambig)
&rst
ixpk= 1377, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 618, 619, 642,
igr2= 649, 650,
&end
#
# 72 CYS HA 41 ASN HD2- 5.50 (# 1378:15 Unique 3.21, 3.87 A)
&rst
ixpk= 1378, nxpk= 15, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 649, 650,
&end
#
# 41 ASN HB+ 41 ASN HD2- 5.50 (# 1379:15 Unique 2.26, 3.42 A)
&rst
ixpk= 1379, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 649, 650,
&end
#
# 52 ASN HA 53 ASN HN 4.50 (# 1380:15 Unique 3.50, 3.54 A)
&rst
ixpk= 1380, nxpk= 15, iat= 820, 832, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ASN HN 53 ASN HN 3.50 (# 1381:15 Unique 2.64, 2.75 A)
&rst
ixpk= 1381, nxpk= 15, iat= 818, 832, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 GLY HN 53 ASN HN 2.80 (# 1382:15 Unique 1.85, 1.93 A)
&rst
ixpk= 1382, nxpk= 15, iat= 846, 832, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 ASN HB- 53 ASN HN 2.80 (# 1383:15 Unique 2.38, 3.03 A)
&rst
ixpk= 1383, nxpk= 15, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 836, 837,
&end
#
# 52 ASN HB+ 53 ASN HN 2.80 (# 1384:15 Unique 2.68, 3.06 A)
&rst
ixpk= 1384, nxpk= 15, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 822, 823,
&end
#
# 51 ILE HB 53 ASN HN 5.50 (# 1385:15 Unique 5.01, 5.26 A)
&rst
ixpk= 1385, nxpk= 15, iat= 803, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 CYS HA 41 ASN HD2+ 5.50 (# 1388:15 Unique 3.21, 3.87 A)
&rst
ixpk= 1388, nxpk= 15, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 649, 650,
&end
#
# 41 ASN HB- 41 ASN HD2+ 4.50 (# 1389:15 Unique 2.26, 3.42 A)
&rst
ixpk= 1389, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 644, 645,
igr2= 649, 650,
&end
#
# 41 ASN HB+ 41 ASN HD2+ 4.50 (# 1390:15 Unique 2.26, 3.42 A)
&rst
ixpk= 1390, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 644, 645,
igr2= 649, 650,
&end
#
# 41 ASN HB- 41 ASN HD2- 5.50 (# 1392:15 Unique 2.26, 3.42 A)
&rst
ixpk= 1392, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 649, 650,
&end
#
# 53 ASN HA 53 ASN HN 3.50 (# 1393:15 Unique 2.97, 3.00 A)
&rst
ixpk= 1393, nxpk= 15, iat= 834, 832, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HN 147 GLY HN 2.80 (# 1394:15 Unique 2.49, 2.70 A)
&rst
ixpk= 1394, nxpk= 15, iat=2212,2236, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 146 ARG HA 147 GLY HN 3.50 (# 1396:15 Unique 3.36, 3.50 A)
&rst
ixpk= 1396, nxpk= 15, iat=2214,2236, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 147 GLY HA+ 147 GLY HN 2.80 (# 1397:15 Unique 2.20, 2.54 A)
&rst
ixpk= 1397, nxpk= 15, iat= -1,2236, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2238,2239,
&end
#
# 147 GLY HA- 147 GLY HN 2.80 (# 1398:15 Unique 2.20, 2.54 A)
&rst
ixpk= 1398, nxpk= 15, iat= -1,2236, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2238,2239,
&end
#
# 0 AMB 15-2:1399 147 GLY HN 3.50 (# 1399:15 Single Ambig)
&rst
ixpk= 1399, nxpk= 15, iat= -1,2236, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2216,2217, 49, 50,
&end
#
# 3 LEU HG 147 GLY HN 5.50 (# 1400:15 Unique 4.01, 4.45 A)
&rst
ixpk= 1400, nxpk= 15, iat= 52,2236, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 LEU MDX 147 GLY HN 4.50 (# 1401:15 Unique 3.48, 5.79 A)
&rst
ixpk= 1401, nxpk= 15, iat= -1,2236, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1829,1830,1831,1833,1834,1835,
&end
#
# 121 LEU MDY 147 GLY HN 5.50 (# 1402:15 Unique 3.48, 5.79 A)
&rst
ixpk= 1402, nxpk= 15, iat= -1,2236, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1829,1830,1831,1833,1834,1835,
&end
#
# 12 ILE HN 11 SER HN 2.80 (# 1405:15 Unique 2.71, 2.82 A)
&rst
ixpk= 1405, nxpk= 15, iat= 179, 168, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 SER HA 11 SER HN 3.50 (# 1406:15 Unique 2.78, 2.82 A)
&rst
ixpk= 1406, nxpk= 15, iat= 170, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ILE HB 11 SER HN 4.50 (# 1407:15 Unique 3.86, 4.29 A)
&rst
ixpk= 1407, nxpk= 15, iat= 183, 168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 LYS HB- 36 ASN HN 4.50 (# 1412:15 Unique 3.96, 4.31 A)
&rst
ixpk= 1412, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 542, 543,
&end
#
# 33 LEU MDX 36 ASN HN 5.50 (# 1413:15 Unique 4.25, 6.16 A)
&rst
ixpk= 1413, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 37 TYR HN 36 ASN HN 3.50 (# 1414:15 Unique 2.83, 2.99 A)
&rst
ixpk= 1414, nxpk= 15, iat= 574, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 ASP HN 36 ASN HN 5.50 (# 1415:15 Unique 3.97, 4.12 A)
&rst
ixpk= 1415, nxpk= 15, iat= 526, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 ASN HD2+ 36 ASN HN 5.50 (# 1417:15 Unique 3.34, 4.58 A)
&rst
ixpk= 1417, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 569, 570,
&end
#
# 35 LYS HN 36 ASN HN 3.50 (# 1418:15 Unique 2.43, 2.52 A)
&rst
ixpk= 1418, nxpk= 15, iat= 538, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 ILE HN 36 ASN HN 4.50 (# 1419:15 Unique 4.13, 4.27 A)
&rst
ixpk= 1419, nxpk= 15, iat= 595, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1420 36 ASN HN 4.50 (# 1420:15 Single Ambig)
&rst
ixpk= 1420, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570, 582, 591,
&end
#
# 35 LYS HA 36 ASN HN 3.50 (# 1421:15 Unique 2.91, 3.04 A)
&rst
ixpk= 1421, nxpk= 15, iat= 540, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ASN HA 36 ASN HN 2.80 (# 1422:15 Unique 2.16, 2.20 A)
&rst
ixpk= 1422, nxpk= 15, iat= 562, 560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 LEU HA 36 ASN HN 4.50 (# 1423:15 Unique 3.77, 3.86 A)
&rst
ixpk= 1423, nxpk= 15, iat= 509, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1424 36 ASN HN 5.50 (# 1424:15 Single Ambig)
&rst
ixpk= 1424, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 578, 579, 551, 552,
&end
#
# 36 ASN HB+ 36 ASN HN 3.50 (# 1425:15 Unique 2.86, 3.43 A)
&rst
ixpk= 1425, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 564, 565,
&end
#
# 35 LYS HB+ 36 ASN HN 5.50 (# 1426:15 Unique 3.96, 4.31 A)
&rst
ixpk= 1426, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 0 AMB 15-2:1427 36 ASN HN 4.50 (# 1427:15 Single Ambig)
&rst
ixpk= 1427, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 516, 517, 518, 520, 521, 522, 545, 546, 548, 549,
&end
#
# 10 SER HN 11 SER HN 3.50 (# 1428:15 Unique 2.74, 2.95 A)
&rst
ixpk= 1428, nxpk= 15, iat= 157, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 SER HA 11 SER HN 3.50 (# 1430:15 Unique 2.75, 3.05 A)
&rst
ixpk= 1430, nxpk= 15, iat= 159, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 PRO HG+ 11 SER HN 5.50 (# 1431:15 Unique 3.33, 5.19 A)
&rst
ixpk= 1431, nxpk= 15, iat= -1, 168, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 132, 133,
&end
#
# 12 ILE HA 11 SER HN 5.50 (# 1432:15 Unique 5.26, 5.36 A)
&rst
ixpk= 1432, nxpk= 15, iat= 181, 168, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 GLU HA 11 SER HN 3.50 (# 1433:15 Unique 2.93, 3.38 A)
&rst
ixpk= 1433, nxpk= 15, iat= 144, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 SER HB- 11 SER HN 3.50 (# 1434:15 Unique 2.28, 3.06 A)
&rst
ixpk= 1434, nxpk= 15, iat= -1, 168, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 172, 173,
&end
#
# 37 TYR HD 35 LYS HN 4.50 (# 1435:15 Unique 3.09, 5.33 A)
&rst
ixpk= 1435, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 582, 591,
&end
#
# 32 LEU HA 35 LYS HN 4.50 (# 1436:15 Unique 3.61, 3.80 A)
&rst
ixpk= 1436, nxpk= 15, iat= 490, 538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 ASP HB+ 35 LYS HN 4.50 (# 1437:15 Unique 2.70, 3.58 A)
&rst
ixpk= 1437, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 530, 531,
&end
#
# 34 ASP HN 35 LYS HN 3.50 (# 1438:15 Unique 2.75, 2.87 A)
&rst
ixpk= 1438, nxpk= 15, iat= 526, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ASN HN 35 LYS HN 3.50 (# 1439:15 Unique 2.43, 2.52 A)
&rst
ixpk= 1439, nxpk= 15, iat= 560, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 LYS HA 35 LYS HN 3.50 (# 1440:15 Unique 2.98, 3.00 A)
&rst
ixpk= 1440, nxpk= 15, iat= 540, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1441 35 LYS HN 4.50 (# 1441:15 Single Ambig)
&rst
ixpk= 1441, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 528, 562,
&end
#
# 34 ASP HB- 35 LYS HN 4.50 (# 1442:15 Unique 2.70, 3.58 A)
&rst
ixpk= 1442, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 530, 531,
&end
#
# 35 LYS HB+ 35 LYS HN 3.50 (# 1443:15 Unique 2.58, 3.33 A)
&rst
ixpk= 1443, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 542, 543,
&end
#
# 35 LYS HB- 35 LYS HN 2.80 (# 1444:15 Unique 2.58, 3.33 A)
&rst
ixpk= 1444, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 542, 543,
&end
#
# 0 AMB 15-2:1445 35 LYS HN 2.80 (# 1445:15 Single Ambig)
&rst
ixpk= 1445, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 545, 546, 548, 549,
&end
#
# 0 AMB 15-2:1446 35 LYS HN 5.50 (# 1446:15 Single Ambig)
&rst
ixpk= 1446, nxpk= 15, iat= -1, 538, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 509, 479,
&end
#
# 37 TYR HN 35 LYS HN 5.50 (# 1447:15 Unique 3.19, 3.36 A)
&rst
ixpk= 1447, nxpk= 15, iat= 574, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 SER HB+ 53 ASN HD2- 5.50 (# 1448:15 Unique 2.82, 5.84 A)
&rst
ixpk= 1448, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 778, 779,
igr2= 841, 842,
&end
#
# 53 ASN HA 53 ASN HD2- 5.50 (# 1449:15 Unique 4.13, 4.54 A)
&rst
ixpk= 1449, nxpk= 15, iat= 834, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 49 SER HB+ 53 ASN HD2+ 5.50 (# 1452:15 Unique 2.82, 5.84 A)
&rst
ixpk= 1452, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 778, 779,
igr2= 841, 842,
&end
#
# 52 ASN HB+ 53 ASN HD2+ 4.50 (# 1453:15 Unique 4.90, 6.06 A)
&rst
ixpk= 1453, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 822, 823,
igr2= 841, 842,
&end
#
# 53 ASN HN 53 ASN HD2+ 5.50 (# 1454:15 Unique 2.94, 4.24 A)
&rst
ixpk= 1454, nxpk= 15, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 53 ASN HA 53 ASN HD2+ 5.50 (# 1457:15 Unique 4.13, 4.54 A)
&rst
ixpk= 1457, nxpk= 15, iat= 834, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 49 SER HA 53 ASN HD2+ 5.50 (# 1459:15 Unique 3.59, 6.19 A)
&rst
ixpk= 1459, nxpk= 15, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 53 ASN HB- 53 ASN HD2+ 3.50 (# 1460:15 Unique 2.19, 3.41 A)
&rst
ixpk= 1460, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 836, 837,
igr2= 841, 842,
&end
#
# 53 ASN HN 53 ASN HD2- 5.50 (# 1462:15 Unique 2.94, 4.24 A)
&rst
ixpk= 1462, nxpk= 15, iat= 832, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 49 SER HA 53 ASN HD2- 5.50 (# 1466:15 Unique 3.59, 6.19 A)
&rst
ixpk= 1466, nxpk= 15, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 841, 842,
&end
#
# 53 ASN HB- 53 ASN HD2- 3.50 (# 1467:15 Unique 2.19, 3.41 A)
&rst
ixpk= 1467, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 836, 837,
igr2= 841, 842,
&end
#
# 52 ASN HB+ 53 ASN HD2- 4.50 (# 1469:15 Unique 4.90, 6.06 A)
&rst
ixpk= 1469, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 822, 823,
igr2= 841, 842,
&end
#
# 67 HIS HB- 67 HIS HN 5.50 (# 1472:15 Unique 2.35, 2.99 A)
&rst
ixpk= 1472, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1039,1040,
&end
#
# 66 PRO HG+ 67 HIS HN 5.50 (# 1473:15 Unique 1.94, 4.11 A)
&rst
ixpk= 1473, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1025,1026,
&end
#
# 67 HIS HB+ 67 HIS HN 5.50 (# 1477:15 Unique 2.35, 2.99 A)
&rst
ixpk= 1477, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1039,1040,
&end
#
# 66 PRO HA 67 HIS HN 3.50 (# 1478:15 Unique 3.49, 3.53 A)
&rst
ixpk= 1478, nxpk= 15, iat=1031,1035, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 PRO HB+ 67 HIS HN 4.50 (# 1479:15 Unique 1.79, 2.93 A)
&rst
ixpk= 1479, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 66 PRO HB- 67 HIS HN 4.50 (# 1480:15 Unique 1.79, 2.93 A)
&rst
ixpk= 1480, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1028,1029,
&end
#
# 46 ILE QG2 67 HIS HN 4.50 (# 1481:15 Unique 3.54, 4.82 A)
&rst
ixpk= 1481, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 727, 728, 729,
&end
#
# 46 ILE QD1 67 HIS HN 4.50 (# 1482:15 Unique 2.57, 3.86 A)
&rst
ixpk= 1482, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 734, 735, 736,
&end
#
# 46 ILE HG1+ 67 HIS HN 5.50 (# 1483:15 Unique 4.01, 5.12 A)
&rst
ixpk= 1483, nxpk= 15, iat= -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 731, 732,
&end
#
# 140 LEU MDX 136 SER HN 5.50 (# 1484:15 Unique 3.88, 6.62 A)
&rst
ixpk= 1484, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2131,2132,2133,2135,2136,2137,
&end
#
# 52 ASN HN 52 ASN HD2+ 5.50 (# 1485:15 Unique 2.28, 3.27 A)
&rst
ixpk= 1485, nxpk= 15, iat= 818, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 52 ASN HA 52 ASN HD2+ 5.50 (# 1489:15 Unique 3.18, 3.63 A)
&rst
ixpk= 1489, nxpk= 15, iat= 820, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 52 ASN HB+ 52 ASN HD2+ 2.80 (# 1490:15 Unique 2.39, 3.46 A)
&rst
ixpk= 1490, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 822, 823,
igr2= 827, 828,
&end
#
# 52 ASN HN 52 ASN HD2- 5.50 (# 1493:15 Unique 2.28, 3.27 A)
&rst
ixpk= 1493, nxpk= 15, iat= 818, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 52 ASN HA 52 ASN HD2- 5.50 (# 1498:15 Unique 3.18, 3.63 A)
&rst
ixpk= 1498, nxpk= 15, iat= 820, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 52 ASN HB+ 52 ASN HD2- 3.50 (# 1499:15 Unique 2.39, 3.46 A)
&rst
ixpk= 1499, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 822, 823,
igr2= 827, 828,
&end
#
# 135 SER HN 136 SER HN 2.80 (# 1500:15 Unique 1.79, 2.41 A)
&rst
ixpk= 1500, nxpk= 15, iat=2046,2057, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 135 SER HA 136 SER HN 3.50 (# 1501:15 Unique 3.13, 3.41 A)
&rst
ixpk= 1501, nxpk= 15, iat=2048,2057, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1502 136 SER HN 3.50 (# 1502:15 Single Ambig)
&rst
ixpk= 1502, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2061,2062,2038,
&end
#
# 135 SER HB+ 136 SER HN 4.50 (# 1503:15 Unique 2.95, 3.92 A)
&rst
ixpk= 1503, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2050,2051,
&end
#
# 135 SER HB- 136 SER HN 4.50 (# 1504:15 Unique 2.95, 3.92 A)
&rst
ixpk= 1504, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2050,2051,
&end
#
# 139 GLN HB- 136 SER HN 3.50 (# 1505:15 Unique 2.49, 3.84 A)
&rst
ixpk= 1505, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 139 GLN HB+ 136 SER HN 3.50 (# 1506:15 Unique 2.49, 3.84 A)
&rst
ixpk= 1506, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 140 LEU HG 136 SER HN 5.50 (# 1507:15 Unique 4.62, 5.33 A)
&rst
ixpk= 1507, nxpk= 15, iat=2129,2057, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 ALA MB 136 SER HN 3.50 (# 1508:15 Unique 2.57, 3.99 A)
&rst
ixpk= 1508, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2040,2041,2042,
&end
#
# 0 AMB 15-2:1509 136 SER HN 4.50 (# 1509:15 Single Ambig)
&rst
ixpk= 1509, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
2136,2137,
&end
#
# 137 GLU HN 136 SER HN 5.50 (# 1510:15 Unique 4.21, 4.31 A)
&rst
ixpk= 1510, nxpk= 15, iat=2068,2057, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 SER HB- 136 SER HN 4.50 (# 1512:15 Unique 2.67, 3.40 A)
&rst
ixpk= 1512, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2061,2062,
&end
#
# 139 GLN HG+ 136 SER HN 4.50 (# 1513:15 Unique 3.31, 4.54 A)
&rst
ixpk= 1513, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2112,2113,
&end
#
# 0 AMB 15-2:1514 136 SER HN 5.50 (# 1514:15 Single Ambig)
&rst
ixpk= 1514, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 213,2087,2088,
&end
#
# 83 LEU MDX 136 SER HN 5.50 (# 1515:15 Unique 5.11, 7.16 A)
&rst
ixpk= 1515, nxpk= 15, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 51 ILE QG2 52 ASN HD2+ 5.50 (# 1516:15 Unique 3.85, 5.20 A)
&rst
ixpk= 1516, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 805, 806, 807,
igr2= 827, 828,
&end
#
# 51 ILE QG2 52 ASN HD2- 5.50 (# 1528:15 Unique 3.85, 5.20 A)
&rst
ixpk= 1528, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 805, 806, 807,
igr2= 827, 828,
&end
#
# 63 VAL HN 62 GLY HN 3.50 (# 1531:15 Unique 2.44, 2.64 A)
&rst
ixpk= 1531, nxpk= 15, iat= 978, 971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 LYS HN 62 GLY HN 5.50 (# 1532:15 Unique 5.03, 5.30 A)
&rst
ixpk= 1532, nxpk= 15, iat=1495, 971, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 GLY HA+ 62 GLY HN 2.80 (# 1533:15 Unique 2.27, 2.64 A)
&rst
ixpk= 1533, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 973, 974,
&end
#
# 61 PRO HA 62 GLY HN 2.80 (# 1534:15 Unique 2.15, 2.19 A)
&rst
ixpk= 1534, nxpk= 15, iat= 967, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1535 62 GLY HN 4.50 (# 1535:15 Single Ambig)
&rst
ixpk= 1535, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1478,1463,1464,
&end
#
# 0 AMB 15-2:1536 62 GLY HN 3.50 (# 1536:15 Single Ambig)
&rst
ixpk= 1536, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 964, 965, 961, 962,
&end
#
# 0 AMB 15-2:1537 62 GLY HN 4.50 (# 1537:15 Single Ambig)
&rst
ixpk= 1537, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 964, 965, 982, 961, 962,
&end
#
# 0 AMB 15-2:1538 62 GLY HN 4.50 (# 1538:15 Single Ambig)
&rst
ixpk= 1538, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 915, 916, 917,1486,1487,
&end
#
# 97 ILE QD1 62 GLY HN 3.50 (# 1539:15 Unique 2.25, 3.01 A)
&rst
ixpk= 1539, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1489,1490,1491,
&end
#
# 0 AMB 15-2:1540 62 GLY HN 4.50 (# 1540:15 Single Ambig)
&rst
ixpk= 1540, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1451,1452,1451,1452,
&end
#
# 0 AMB 15-2:1541 62 GLY HN 5.50 (# 1541:15 Single Ambig)
&rst
ixpk= 1541, nxpk= 15, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 984, 985, 986, 988, 989, 990,2012,2013,2014,2016,
2017,2018,
&end
#
# 122 LEU HB- 123 CYS HN 4.50 (# 1542:15 Unique 2.99, 3.81 A)
&rst
ixpk= 1542, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 122 LEU MDX 123 CYS HN 5.50 (# 1543:15 Unique 4.81, 6.06 A)
&rst
ixpk= 1543, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1848,1849,1850,1852,1853,1854,
&end
#
# 123 CYS HN 122 LEU HN 3.50 (# 1546:15 Unique 2.84, 2.90 A)
&rst
ixpk= 1546, nxpk= 15, iat=1858,1839, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 LEU HN 122 LEU HN 2.80 (# 1547:15 Unique 2.43, 2.52 A)
&rst
ixpk= 1547, nxpk= 15, iat=1820,1839, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 122 LEU HG 122 LEU HN 4.50 (# 1548:15 Unique 2.20, 2.55 A)
&rst
ixpk= 1548, nxpk= 15, iat=1846,1839, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 LEU HN 123 CYS HN 3.50 (# 1549:15 Unique 2.84, 2.90 A)
&rst
ixpk= 1549, nxpk= 15, iat=1839,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1550 123 CYS HN 2.80 (# 1550:15 Single Ambig)
&rst
ixpk= 1550, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1869,1820,
&end
#
# 123 CYS HA 123 CYS HN 3.50 (# 1551:15 Unique 2.97, 2.97 A)
&rst
ixpk= 1551, nxpk= 15, iat=1860,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 SER HA 123 CYS HN 3.50 (# 1552:15 Unique 2.81, 3.17 A)
&rst
ixpk= 1552, nxpk= 15, iat=1796,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 LEU HA 123 CYS HN 3.50 (# 1553:15 Unique 3.28, 3.43 A)
&rst
ixpk= 1553, nxpk= 15, iat=1841,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 CYS HB+ 123 CYS HN 2.80 (# 1554:15 Unique 2.59, 3.26 A)
&rst
ixpk= 1554, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1862,1863,
&end
#
# 124 GLU HB+ 123 CYS HN 4.50 (# 1555:15 Unique 3.60, 4.43 A)
&rst
ixpk= 1555, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1873,1874,
&end
#
# 122 LEU HB+ 123 CYS HN 3.50 (# 1556:15 Unique 2.99, 3.81 A)
&rst
ixpk= 1556, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1843,1844,
&end
#
# 0 AMB 15-2:1557 123 CYS HN 5.50 (# 1557:15 Single Ambig)
&rst
ixpk= 1557, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948, 937, 938, 939, 941, 942, 943,
&end
#
# 0 AMB 15-2:1558 123 CYS HN 5.50 (# 1558:15 Single Ambig)
&rst
ixpk= 1558, nxpk= 15, iat= -1,1858, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1846,1829,1830,1831,1833,1834,1835,1568,1569,1570,
&end
#
# 120 GLU HN 122 LEU HN 4.50 (# 1560:15 Unique 4.35, 4.51 A)
&rst
ixpk= 1560, nxpk= 15, iat=1805,1839, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 LEU HA 122 LEU HN 4.50 (# 1561:15 Unique 3.61, 3.65 A)
&rst
ixpk= 1561, nxpk= 15, iat=1822,1839, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1562 122 LEU HN 3.50 (# 1562:15 Single Ambig)
&rst
ixpk= 1562, nxpk= 15, iat= -1,1839, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1796,1777,
&end
#
# 122 LEU HA 122 LEU HN 3.50 (# 1563:15 Unique 2.80, 2.87 A)
&rst
ixpk= 1563, nxpk= 15, iat=1841,1839, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1564 122 LEU HN 5.50 (# 1564:15 Single Ambig)
&rst
ixpk= 1564, nxpk= 15, iat= -1,1839, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1873,1874,1809,1810,
&end
#
# 0 AMB 15-2:1565 122 LEU HN 5.50 (# 1565:15 Single Ambig)
&rst
ixpk= 1565, nxpk= 15, iat= -1,1839, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1559,1991,
&end
#
# 122 LEU HB+ 122 LEU HN 2.80 (# 1566:15 Unique 2.26, 3.04 A)
&rst
ixpk= 1566, nxpk= 15, iat= -1,1839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1843,1844,
&end
#
# 122 LEU HB- 122 LEU HN 2.80 (# 1567:15 Unique 2.26, 3.04 A)
&rst
ixpk= 1567, nxpk= 15, iat= -1,1839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1843,1844,
&end
#
# 122 LEU MDX 122 LEU HN 3.50 (# 1568:15 Unique 2.07, 4.20 A)
&rst
ixpk= 1568, nxpk= 15, iat= -1,1839, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1848,1849,1850,1852,1853,1854,
&end
#
# 116 GLN HB- 116 GLN HE2+ 5.50 (# 1582:15 Unique 2.58, 4.35 A)
&rst
ixpk= 1582, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1752,1753,
igr2=1760,1761,
&end
#
# 116 GLN HG+ 116 GLN HE2+ 3.50 (# 1589:15 Unique 2.25, 3.29 A)
&rst
ixpk= 1589, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1755,1756,
igr2=1760,1761,
&end
#
# 116 GLN HG- 116 GLN HE2+ 4.50 (# 1590:15 Unique 2.25, 3.29 A)
&rst
ixpk= 1590, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1755,1756,
igr2=1760,1761,
&end
#
# 112 ILE QG2 116 GLN HE2+ 5.50 (# 1591:15 Unique 2.29, 5.09 A)
&rst
ixpk= 1591, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1699,1700,1701,
igr2=1760,1761,
&end
#
# 36 ASN HN 36 ASN HD2+ 5.50 (# 1592:15 Unique 3.34, 4.58 A)
&rst
ixpk= 1592, nxpk= 15, iat= 560, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 569, 570,
&end
#
# 76 LYS HE- 36 ASN HD2+ 4.50 (# 1598:15 Unique 2.36, 4.49 A)
&rst
ixpk= 1598, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1175,1176,
igr2= 569, 570,
&end
#
# 76 LYS HE- 36 ASN HD2- 4.50 (# 1604:15 Unique 2.36, 4.49 A)
&rst
ixpk= 1604, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1175,1176,
igr2= 569, 570,
&end
#
# 116 GLN HG+ 116 GLN HE2- 4.50 (# 1613:15 Unique 2.25, 3.29 A)
&rst
ixpk= 1613, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1755,1756,
igr2=1760,1761,
&end
#
# 116 GLN HG- 116 GLN HE2- 5.50 (# 1614:15 Unique 2.25, 3.29 A)
&rst
ixpk= 1614, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1755,1756,
igr2=1760,1761,
&end
#
# 112 ILE QG2 116 GLN HE2- 5.50 (# 1615:15 Unique 2.29, 5.09 A)
&rst
ixpk= 1615, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1699,1700,1701,
igr2=1760,1761,
&end
#
# 131 LEU HN 132 LEU HN 3.50 (# 1616:15 Unique 2.53, 2.62 A)
&rst
ixpk= 1616, nxpk= 15, iat=1984,2003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 133 THR HN 132 LEU HN 3.50 (# 1618:15 Unique 2.90, 2.98 A)
&rst
ixpk= 1618, nxpk= 15, iat=2022,2003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ALA HN 132 LEU HN 5.50 (# 1619:15 Unique 4.17, 4.30 A)
&rst
ixpk= 1619, nxpk= 15, iat=2036,2003, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 LEU HA 132 LEU HN 3.50 (# 1620:15 Unique 2.78, 2.82 A)
&rst
ixpk= 1620, nxpk= 15, iat=2005,2003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1621 132 LEU HN 4.50 (# 1621:15 Single Ambig)
&rst
ixpk= 1621, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1986,1969,
&end
#
# 131 LEU HB+ 132 LEU HN 3.50 (# 1622:15 Unique 2.14, 2.78 A)
&rst
ixpk= 1622, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1988,1989,
&end
#
# 132 LEU HB- 132 LEU HN 2.80 (# 1623:15 Unique 2.41, 3.03 A)
&rst
ixpk= 1623, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2007,2008,
&end
#
# 132 LEU HG 132 LEU HN 2.80 (# 1624:15 Unique 2.30, 2.44 A)
&rst
ixpk= 1624, nxpk= 15, iat=2010,2003, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 132 LEU HB+ 132 LEU HN 3.50 (# 1625:15 Unique 2.41, 3.03 A)
&rst
ixpk= 1625, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2007,2008,
&end
#
# 131 LEU HB- 132 LEU HN 3.50 (# 1626:15 Unique 2.14, 2.78 A)
&rst
ixpk= 1626, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1988,1989,
&end
#
# 0 AMB 15-2:1627 132 LEU HN 2.80 (# 1627:15 Single Ambig)
&rst
ixpk= 1627, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
2017,2018,2012,2013,2014,2016,2017,2018,
&end
#
# 130 GLN HN 132 LEU HN 5.50 (# 1628:15 Unique 3.99, 4.07 A)
&rst
ixpk= 1628, nxpk= 15, iat=1967,2003, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 LYS HA 36 ASN HD2+ 5.50 (# 1630:15 Unique 3.43, 4.81 A)
&rst
ixpk= 1630, nxpk= 15, iat= 540, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 569, 570,
&end
#
# 36 ASN HA 36 ASN HD2+ 3.50 (# 1631:15 Unique 2.17, 4.45 A)
&rst
ixpk= 1631, nxpk= 15, iat= 562, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 569, 570,
&end
#
# 36 ASN HA 36 ASN HD2- 4.50 (# 1633:15 Unique 2.17, 4.45 A)
&rst
ixpk= 1633, nxpk= 15, iat= 562, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 569, 570,
&end
#
# 36 ASN HB- 36 ASN HD2- 4.50 (# 1634:15 Unique 2.23, 3.46 A)
&rst
ixpk= 1634, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 564, 565,
igr2= 569, 570,
&end
#
# 0 AMB 15-2:1635 102 GLY HN 4.50 (# 1635:15 Single Ambig)
&rst
ixpk= 1635, nxpk= 15, iat= -1,1574, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1559,1540,1541,1237,1238,
&end
#
# 80 SER HN 102 GLY HN 3.50 (# 1636:15 Unique 2.60, 2.79 A)
&rst
ixpk= 1636, nxpk= 15, iat=1222,1574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 LEU HA 102 GLY HN 3.50 (# 1638:15 Unique 3.27, 3.46 A)
&rst
ixpk= 1638, nxpk= 15, iat=1235,1574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 ILE HA 102 GLY HN 2.80 (# 1639:15 Unique 2.03, 2.09 A)
&rst
ixpk= 1639, nxpk= 15, iat=1557,1574, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLY HA- 102 GLY HN 3.50 (# 1641:15 Unique 2.33, 2.68 A)
&rst
ixpk= 1641, nxpk= 15, iat= -1,1574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1576,1577,
&end
#
# 102 GLY HA+ 102 GLY HN 4.50 (# 1642:15 Unique 2.33, 2.68 A)
&rst
ixpk= 1642, nxpk= 15, iat= -1,1574, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1576,1577,
&end
#
# 0 AMB 15-2:1643 102 GLY HN 5.50 (# 1643:15 Single Ambig)
&rst
ixpk= 1643, nxpk= 15, iat= -1,1574, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 455, 456, 457,1025,1026,
&end
#
# 0 AMB 15-2:1644 102 GLY HN 4.50 (# 1644:15 Single Ambig)
&rst
ixpk= 1644, nxpk= 15, iat= -1,1574, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,1028,1029,
&end
#
# 101 ILE QG2 102 GLY HN 3.50 (# 1645:15 Unique 2.63, 3.73 A)
&rst
ixpk= 1645, nxpk= 15, iat= -1,1574, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1561,1562,1563,
&end
#
# 0 AMB 15-2:1646 102 GLY HN 4.50 (# 1646:15 Single Ambig)
&rst
ixpk= 1646, nxpk= 15, iat= -1,1574, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1242,1243,1244,1246,1247,1248,1568,1569,1570,
&end
#
# 129 GLU HN 132 LEU HN 4.50 (# 1647:15 Unique 4.61, 4.63 A)
&rst
ixpk= 1647, nxpk= 15, iat=1952,2003, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 LEU MDY 132 LEU HN 5.50 (# 1648:15 Unique 4.44, 5.99 A)
&rst
ixpk= 1648, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 131 LEU MDX 132 LEU HN 3.50 (# 1649:15 Unique 4.03, 5.29 A)
&rst
ixpk= 1649, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1993,1994,1995,1997,1998,1999,
&end
#
# 0 AMB 15-2:1650 132 LEU HN 5.50 (# 1650:15 Single Ambig)
&rst
ixpk= 1650, nxpk= 15, iat= -1,2003, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2024,2026,
&end
#
# 36 ASN HB- 36 ASN HD2+ 4.50 (# 1651:15 Unique 2.23, 3.46 A)
&rst
ixpk= 1651, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 564, 565,
igr2= 569, 570,
&end
#
# 19 LYS HN 20 ASP HN 3.50 (# 1653:15 Unique 2.56, 2.74 A)
&rst
ixpk= 1653, nxpk= 15, iat= 282, 304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 GLU HN 20 ASP HN 4.50 (# 1654:15 Unique 2.98, 3.21 A)
&rst
ixpk= 1654, nxpk= 15, iat= 357, 304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ALA HA 20 ASP HN 5.50 (# 1655:15 Unique 4.09, 4.32 A)
&rst
ixpk= 1655, nxpk= 15, iat= 274, 304, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 ASP HA 20 ASP HN 3.50 (# 1656:15 Unique 2.81, 2.85 A)
&rst
ixpk= 1656, nxpk= 15, iat= 306, 304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1657 20 ASP HN 4.50 (# 1657:15 Single Ambig)
&rst
ixpk= 1657, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 284, 374,
&end
#
# 20 ASP HB- 20 ASP HN 4.50 (# 1658:15 Unique 3.03, 3.44 A)
&rst
ixpk= 1658, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 308, 309,
&end
#
# 23 GLU HB+ 20 ASP HN 2.80 (# 1659:15 Unique 1.91, 2.41 A)
&rst
ixpk= 1659, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 361, 362,
&end
#
# 19 LYS HB+ 20 ASP HN 3.50 (# 1660:15 Unique 2.53, 3.30 A)
&rst
ixpk= 1660, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 286, 287,
&end
#
# 19 LYS HG- 20 ASP HN 4.50 (# 1661:15 Unique 3.92, 4.70 A)
&rst
ixpk= 1661, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 289, 290,
&end
#
# 18 ALA MB 20 ASP HN 3.50 (# 1662:15 Unique 2.61, 3.60 A)
&rst
ixpk= 1662, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 276, 277, 278,
&end
#
# 88 VAL MGY 20 ASP HN 4.50 (# 1663:15 Unique 3.17, 5.08 A)
&rst
ixpk= 1663, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 21 TRP HN 20 ASP HN 5.50 (# 1667:15 Unique 4.25, 4.29 A)
&rst
ixpk= 1667, nxpk= 15, iat= 316, 304, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 ALA HN 20 ASP HN 4.50 (# 1668:15 Unique 3.27, 3.38 A)
&rst
ixpk= 1668, nxpk= 15, iat= 372, 304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 20 ASP HB+ 20 ASP HN 4.50 (# 1670:15 Unique 3.03, 3.44 A)
&rst
ixpk= 1670, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 308, 309,
&end
#
# 106 ALA HN 107 ASP HN 3.50 (# 1671:15 Unique 2.44, 2.52 A)
&rst
ixpk= 1671, nxpk= 15, iat=1621,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 ASP HA 107 ASP HN 3.50 (# 1672:15 Unique 2.96, 2.97 A)
&rst
ixpk= 1672, nxpk= 15, iat=1633,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1673 107 ASP HN 5.50 (# 1673:15 Single Ambig)
&rst
ixpk= 1673, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1667,1164,
&end
#
# 110 SER HB+ 107 ASP HN 2.80 (# 1674:15 Unique 2.12, 2.99 A)
&rst
ixpk= 1674, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1669,1670,
&end
#
# 107 ASP HB+ 107 ASP HN 4.50 (# 1675:15 Unique 2.76, 3.05 A)
&rst
ixpk= 1675, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1635,1636,
&end
#
# 107 ASP HB- 107 ASP HN 4.50 (# 1676:15 Unique 2.76, 3.05 A)
&rst
ixpk= 1676, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1635,1636,
&end
#
# 105 ALA MB 107 ASP HN 3.50 (# 1677:15 Unique 2.61, 3.65 A)
&rst
ixpk= 1677, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1615,1616,1617,
&end
#
# 106 ALA MB 107 ASP HN 3.50 (# 1678:15 Unique 3.10, 3.88 A)
&rst
ixpk= 1678, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1625,1626,1627,
&end
#
# 110 SER HN 107 ASP HN 5.50 (# 1679:15 Unique 3.71, 3.81 A)
&rst
ixpk= 1679, nxpk= 15, iat=1665,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ALA HN 107 ASP HN 5.50 (# 1680:15 Unique 4.40, 4.43 A)
&rst
ixpk= 1680, nxpk= 15, iat=1643,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 THR HB 107 ASP HN 5.50 (# 1681:15 Unique 5.62, 5.64 A)
&rst
ixpk= 1681, nxpk= 15, iat=1188,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 ALA HA 107 ASP HN 4.50 (# 1682:15 Unique 3.45, 3.48 A)
&rst
ixpk= 1682, nxpk= 15, iat=1623,1631, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 HIS HN 107 ASP HN 5.50 (# 1684:15 Unique 3.76, 3.83 A)
&rst
ixpk= 1684, nxpk= 15, iat=1676,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 ALA HA 107 ASP HN 4.50 (# 1685:15 Unique 3.70, 3.78 A)
&rst
ixpk= 1685, nxpk= 15, iat=1613,1631, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 PRO HG- 107 ASP HN 5.50 (# 1686:15 Unique 3.98, 4.30 A)
&rst
ixpk= 1686, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1090,1091,
&end
#
# 108 ALA HA 107 ASP HN 5.50 (# 1687:15 Unique 4.87, 4.95 A)
&rst
ixpk= 1687, nxpk= 15, iat=1645,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 PRO HB+ 107 ASP HN 5.50 (# 1688:15 Unique 3.86, 4.66 A)
&rst
ixpk= 1688, nxpk= 15, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1093,1094,
&end
#
# 130 GLN HN 130 GLN HE2+ 5.50 (# 1689:15 Unique 3.36, 4.32 A)
&rst
ixpk= 1689, nxpk= 15, iat=1967, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1979,1980,
&end
#
# 0 AMB 15-2:1690 130 GLN HE2- 4.50 (# 1690:15 Single Ambig)
&rst
ixpk= 1690, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1971,1972,1903,1904,
igr2=1979,1980,
&end
#
# 127 ILE HA 130 GLN HE2+ 4.50 (# 1694:15 Unique 2.53, 3.12 A)
&rst
ixpk= 1694, nxpk= 15, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1979,1980,
&end
#
# 130 GLN HG+ 130 GLN HE2+ 3.50 (# 1695:15 Unique 2.19, 3.34 A)
&rst
ixpk= 1695, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1974,1975,
igr2=1979,1980,
&end
#
# 0 AMB 15-2:1696 0 AMB 15-1:1696 3.50 (# 1696:15 Double Ambig)
&rst
ixpk= 1696, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1974,1975,1971,1972,
igr2=1979,1980,1979,1980,
&end
#
# 0 AMB 15-2:1697 0 AMB 15-1:1697 4.50 (# 1697:15 Double Ambig)
&rst
ixpk= 1697, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1971,1972,1903,1904,
igr2=1979,1980,1979,1980,
&end
#
# 127 ILE QD1 130 GLN HE2+ 4.50 (# 1698:15 Unique 2.40, 4.06 A)
&rst
ixpk= 1698, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1927,1928,1929,
igr2=1979,1980,
&end
#
# 127 ILE HA 130 GLN HE2- 5.50 (# 1704:15 Unique 2.53, 3.12 A)
&rst
ixpk= 1704, nxpk= 15, iat=1916, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1979,1980,
&end
#
# 130 GLN HG+ 130 GLN HE2- 4.50 (# 1705:15 Unique 2.19, 3.34 A)
&rst
ixpk= 1705, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1974,1975,
igr2=1979,1980,
&end
#
# 0 AMB 15-2:1706 130 GLN HE2- 4.50 (# 1706:15 Single Ambig)
&rst
ixpk= 1706, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1974,1975,1971,1972,
igr2=1979,1980,
&end
#
# 127 ILE QD1 130 GLN HE2- 4.50 (# 1707:15 Unique 2.40, 4.06 A)
&rst
ixpk= 1707, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1927,1928,1929,
igr2=1979,1980,
&end
#
# 98 LYS HG- 87 GLY HN 4.50 (# 1708:15 Unique 2.31, 3.91 A)
&rst
ixpk= 1708, nxpk= 15, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1502,1503,
&end
#
# 0 AMB 15-2:1709 80 SER HN 5.50 (# 1709:15 Single Ambig)
&rst
ixpk= 1709, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1233,1600,
&end
#
# 79 MET HN 80 SER HN 5.50 (# 1710:15 Unique 4.37, 4.43 A)
&rst
ixpk= 1710, nxpk= 15, iat=1205,1222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 MET HA 80 SER HN 2.80 (# 1712:15 Unique 2.41, 2.47 A)
&rst
ixpk= 1712, nxpk= 15, iat=1207,1222, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 MET HG- 80 SER HN 4.50 (# 1713:15 Unique 3.64, 4.29 A)
&rst
ixpk= 1713, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1212,1213,
&end
#
# 79 MET HB- 80 SER HN 4.50 (# 1714:15 Unique 2.27, 3.03 A)
&rst
ixpk= 1714, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1209,1210,
&end
#
# 86 GLN HN 87 GLY HN 5.50 (# 1715:15 Unique 2.04, 2.92 A)
&rst
ixpk= 1715, nxpk= 15, iat=1319,1336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 GLN HA 87 GLY HN 3.50 (# 1717:15 Unique 2.18, 2.67 A)
&rst
ixpk= 1717, nxpk= 15, iat=1321,1336, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 87 GLY HA+ 87 GLY HN 5.50 (# 1718:15 Unique 2.20, 2.51 A)
&rst
ixpk= 1718, nxpk= 15, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1338,1339,
&end
#
# 87 GLY HA- 87 GLY HN 4.50 (# 1719:15 Unique 2.20, 2.51 A)
&rst
ixpk= 1719, nxpk= 15, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1338,1339,
&end
#
# 0 AMB 15-2:1720 87 GLY HN 4.50 (# 1720:15 Single Ambig)
&rst
ixpk= 1720, nxpk= 15, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1326,1327,1480,
&end
#
# 86 GLN HB- 87 GLY HN 4.50 (# 1721:15 Unique 3.32, 4.17 A)
&rst
ixpk= 1721, nxpk= 15, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1323,1324,
&end
#
# 0 AMB 15-2:1722 87 GLY HN 4.50 (# 1722:15 Single Ambig)
&rst
ixpk= 1722, nxpk= 15, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1505,1506,1323,1324,
&end
#
# 102 GLY HN 80 SER HN 3.50 (# 1724:15 Unique 2.60, 2.79 A)
&rst
ixpk= 1724, nxpk= 15, iat=1574,1222, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 ILE HA 80 SER HN 4.50 (# 1725:15 Unique 4.15, 4.28 A)
&rst
ixpk= 1725, nxpk= 15, iat=1557,1222, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 LEU HA 80 SER HN 4.50 (# 1726:15 Unique 3.77, 3.87 A)
&rst
ixpk= 1726, nxpk= 15, iat=1583,1222, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 SER HA 80 SER HN 4.50 (# 1727:15 Unique 2.87, 2.92 A)
&rst
ixpk= 1727, nxpk= 15, iat=1224,1222, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 79 MET HG+ 80 SER HN 4.50 (# 1728:15 Unique 3.64, 4.29 A)
&rst
ixpk= 1728, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1212,1213,
&end
#
# 79 MET HB+ 80 SER HN 3.50 (# 1729:15 Unique 2.27, 3.03 A)
&rst
ixpk= 1729, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1209,1210,
&end
#
# 101 ILE QG2 80 SER HN 4.50 (# 1730:15 Unique 3.11, 4.33 A)
&rst
ixpk= 1730, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1561,1562,1563,
&end
#
# 32 LEU MDX 80 SER HN 4.50 (# 1731:15 Unique 3.33, 4.97 A)
&rst
ixpk= 1731, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 80 SER HB- 80 SER HN 5.50 (# 1732:15 Unique 2.83, 3.54 A)
&rst
ixpk= 1732, nxpk= 15, iat= -1,1222, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1226,1227,
&end
#
# 53 ASN HA 54 GLY HN 4.50 (# 1735:15 Unique 3.44, 3.52 A)
&rst
ixpk= 1735, nxpk= 15, iat= 834, 846, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 GLY HA+ 54 GLY HN 4.50 (# 1736:15 Unique 2.33, 2.70 A)
&rst
ixpk= 1736, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 848, 849,
&end
#
# 0 AMB 15-2:1737 54 GLY HN 5.50 (# 1737:15 Single Ambig)
&rst
ixpk= 1737, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 801, 863,
&end
#
# 55 PRO HD- 54 GLY HN 4.50 (# 1738:15 Unique 4.50, 4.89 A)
&rst
ixpk= 1738, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 854, 855,
&end
#
# 53 ASN HB- 54 GLY HN 3.50 (# 1739:15 Unique 2.54, 3.83 A)
&rst
ixpk= 1739, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 836, 837,
&end
#
# 50 THR MG2 54 GLY HN 5.50 (# 1740:15 Unique 3.99, 5.13 A)
&rst
ixpk= 1740, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 791, 792, 793,
&end
#
# 53 ASN HN 54 GLY HN 2.80 (# 1741:15 Unique 1.85, 1.93 A)
&rst
ixpk= 1741, nxpk= 15, iat= 832, 846, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 ASN HN 54 GLY HN 4.50 (# 1742:15 Unique 3.91, 4.02 A)
&rst
ixpk= 1742, nxpk= 15, iat= 818, 846, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 GLY HA- 54 GLY HN 2.80 (# 1743:15 Unique 2.33, 2.70 A)
&rst
ixpk= 1743, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 848, 849,
&end
#
# 55 PRO HD+ 54 GLY HN 4.50 (# 1744:15 Unique 4.50, 4.89 A)
&rst
ixpk= 1744, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 854, 855,
&end
#
# 135 SER HB+ 135 SER HN 3.50 (# 1746:15 Unique 2.42, 3.13 A)
&rst
ixpk= 1746, nxpk= 15, iat= -1,2046, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2050,2051,
&end
#
# 135 SER HB- 135 SER HN 3.50 (# 1747:15 Unique 2.42, 3.13 A)
&rst
ixpk= 1747, nxpk= 15, iat= -1,2046, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2050,2051,
&end
#
# 139 GLN HG+ 135 SER HN 5.50 (# 1748:15 Unique 2.59, 4.31 A)
&rst
ixpk= 1748, nxpk= 15, iat= -1,2046, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2112,2113,
&end
#
# 139 GLN HB- 135 SER HN 4.50 (# 1749:15 Unique 3.29, 4.21 A)
&rst
ixpk= 1749, nxpk= 15, iat= -1,2046, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2109,2110,
&end
#
# 52 ASN HB+ 54 GLY HN 5.50 (# 1750:15 Unique 3.99, 4.79 A)
&rst
ixpk= 1750, nxpk= 15, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 822, 823,
&end
#
# 136 SER HN 135 SER HN 2.80 (# 1751:15 Unique 1.79, 2.41 A)
&rst
ixpk= 1751, nxpk= 15, iat=2057,2046, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 134 ALA HN 135 SER HN 4.50 (# 1752:15 Unique 3.78, 4.38 A)
&rst
ixpk= 1752, nxpk= 15, iat=2036,2046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 135 SER HA 135 SER HN 3.50 (# 1753:15 Unique 2.80, 2.91 A)
&rst
ixpk= 1753, nxpk= 15, iat=2048,2046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ALA HA 135 SER HN 2.80 (# 1754:15 Unique 2.14, 2.19 A)
&rst
ixpk= 1754, nxpk= 15, iat=2038,2046, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 139 GLN HB+ 135 SER HN 4.50 (# 1755:15 Unique 3.29, 4.21 A)
&rst
ixpk= 1755, nxpk= 15, iat= -1,2046, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2109,2110,
&end
#
# 134 ALA MB 135 SER HN 3.50 (# 1756:15 Unique 2.85, 4.05 A)
&rst
ixpk= 1756, nxpk= 15, iat= -1,2046, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2040,2041,2042,
&end
#
# 3 LEU HN 4 SER HN 3.50 (# 1759:15 Unique 2.56, 2.87 A)
&rst
ixpk= 1759, nxpk= 15, iat= 45, 64, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 TYR HN 4 SER HN 5.50 (# 1760:15 Unique 4.33, 4.52 A)
&rst
ixpk= 1760, nxpk= 15, iat= 87, 64, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ASP HN 4 SER HN 3.50 (# 1761:15 Unique 2.79, 2.99 A)
&rst
ixpk= 1761, nxpk= 15, iat= 75, 64, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 2 ARG HA 4 SER HN 4.50 (# 1762:15 Unique 3.55, 3.83 A)
&rst
ixpk= 1762, nxpk= 15, iat= 23, 64, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 3 LEU HA 4 SER HN 4.50 (# 1763:15 Unique 3.49, 3.57 A)
&rst
ixpk= 1763, nxpk= 15, iat= 47, 64, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1764 4 SER HN 3.50 (# 1764:15 Single Ambig)
&rst
ixpk= 1764, nxpk= 15, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 68, 69, 66,
&end
#
# 4 SER HB+ 4 SER HN 3.50 (# 1765:15 Unique 2.60, 3.11 A)
&rst
ixpk= 1765, nxpk= 15, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 68, 69,
&end
#
# 0 AMB 15-2:1766 4 SER HN 3.50 (# 1766:15 Single Ambig)
&rst
ixpk= 1766, nxpk= 15, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 49, 50, 25, 26,
&end
#
# 0 AMB 15-2:1767 4 SER HN 2.80 (# 1767:15 Single Ambig)
&rst
ixpk= 1767, nxpk= 15, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 49, 50, 25, 26,
&end
#
# 3 LEU HG 4 SER HN 5.50 (# 1768:15 Unique 4.45, 4.97 A)
&rst
ixpk= 1768, nxpk= 15, iat= 52, 64, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 LEU MDX 4 SER HN 5.50 (# 1769:15 Unique 4.44, 5.56 A)
&rst
ixpk= 1769, nxpk= 15, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 54, 55, 56, 58, 59, 60,
&end
#
# 144 ILE QG2 4 SER HN 5.50 (# 1770:15 Unique 2.33, 3.74 A)
&rst
ixpk= 1770, nxpk= 15, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2188,2189,2190,
&end
#
# 93 ASN HN 92 GLY HN 3.50 (# 1791:15 Unique 1.68, 2.60 A)
&rst
ixpk= 1791, nxpk= 15, iat=1421,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 PRO HA 92 GLY HN 3.50 (# 1793:15 Unique 2.15, 2.83 A)
&rst
ixpk= 1793, nxpk= 15, iat=1410,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 GLY HA- 92 GLY HN 3.50 (# 1794:15 Unique 2.26, 2.69 A)
&rst
ixpk= 1794, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1416,1417,
&end
#
# 92 GLY HA+ 92 GLY HN 4.50 (# 1795:15 Unique 2.26, 2.69 A)
&rst
ixpk= 1795, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1416,1417,
&end
#
# 91 PRO HB+ 92 GLY HN 4.50 (# 1796:15 Unique 3.00, 4.00 A)
&rst
ixpk= 1796, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1407,1408,
&end
#
# 91 PRO HB- 92 GLY HN 5.50 (# 1797:15 Unique 3.00, 4.00 A)
&rst
ixpk= 1797, nxpk= 15, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1407,1408,
&end
#
# 37 TYR HB+ 38 ILE HN 4.50 (# 1799:15 Unique 3.11, 3.52 A)
&rst
ixpk= 1799, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 578, 579,
&end
#
# 0 AMB 15-2:1800 38 ILE HN 4.50 (# 1800:15 Single Ambig)
&rst
ixpk= 1800, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 511, 512,1166,1167,
&end
#
# 38 ILE HA 38 ILE HN 4.50 (# 1801:15 Unique 2.93, 2.95 A)
&rst
ixpk= 1801, nxpk= 15, iat= 597, 595, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ASN HA 38 ILE HN 3.50 (# 1802:15 Unique 2.67, 2.79 A)
&rst
ixpk= 1802, nxpk= 15, iat= 562, 595, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 15-2:1803 38 ILE HN 4.50 (# 1803:15 Single Ambig)
&rst
ixpk= 1803, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 578, 579, 564, 565,
&end
#
# 0 AMB 15-2:1804 38 ILE HN 4.50 (# 1804:15 Single Ambig)
&rst
ixpk= 1804, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 608, 609, 610,1172,1173, 688, 689, 690,
&end
#
# 33 LEU MDX 38 ILE HN 4.50 (# 1805:15 Unique 3.95, 6.09 A)
&rst
ixpk= 1805, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 516, 517, 518, 520, 521, 522,
&end
#
# 38 ILE HB 38 ILE HN 4.50 (# 1806:15 Unique 3.81, 3.83 A)
&rst
ixpk= 1806, nxpk= 15, iat= 599, 595, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 TYR HN 38 ILE HN 2.80 (# 1807:15 Unique 2.36, 2.43 A)
&rst
ixpk= 1807, nxpk= 15, iat= 574, 595, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1808 38 ILE HN 5.50 (# 1808:15 Single Ambig)
&rst
ixpk= 1808, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 614,1162,
&end
#
# 36 ASN HN 38 ILE HN 4.50 (# 1809:15 Unique 4.13, 4.27 A)
&rst
ixpk= 1809, nxpk= 15, iat= 560, 595, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1810 38 ILE HN 4.50 (# 1810:15 Single Ambig)
&rst
ixpk= 1810, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 569, 570, 582, 591,
&end
#
# 0 AMB 15-2:1811 38 ILE HN 3.50 (# 1811:15 Single Ambig)
&rst
ixpk= 1811, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 509, 576,
&end
#
# 38 ILE HG1+ 38 ILE HN 3.50 (# 1812:15 Unique 2.32, 2.65 A)
&rst
ixpk= 1812, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 605, 606,
&end
#
# 0 AMB 15-2:1813 38 ILE HN 2.80 (# 1813:15 Single Ambig)
&rst
ixpk= 1813, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 605, 606, 601, 602, 603,
&end
#
# 0 AMB 15-2:1814 38 ILE HN 5.50 (# 1814:15 Single Ambig)
&rst
ixpk= 1814, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1143, 507,
&end
#
# 109 ASP HA 113 GLY HN 5.50 (# 1822:15 Unique 3.84, 3.93 A)
&rst
ixpk= 1822, nxpk= 15, iat=1655,1712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1823 113 GLY HN 5.50 (# 1823:15 Single Ambig)
&rst
ixpk= 1823, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1723,1724,1725,1739,1740,
&end
#
# 114 ALA HN 113 GLY HN 3.50 (# 1824:15 Unique 2.70, 2.80 A)
&rst
ixpk= 1824, nxpk= 15, iat=1719,1712, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 ILE HN 113 GLY HN 3.50 (# 1825:15 Unique 2.90, 2.94 A)
&rst
ixpk= 1825, nxpk= 15, iat=1693,1712, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 GLY HA+ 113 GLY HN 2.80 (# 1826:15 Unique 2.29, 2.56 A)
&rst
ixpk= 1826, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1714,1715,
&end
#
# 112 ILE HB 113 GLY HN 3.50 (# 1827:15 Unique 2.46, 2.60 A)
&rst
ixpk= 1827, nxpk= 15, iat=1697,1712, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 ILE HG1- 113 GLY HN 5.50 (# 1828:15 Unique 4.49, 4.75 A)
&rst
ixpk= 1828, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1703,1704,
&end
#
# 0 AMB 15-2:1829 113 GLY HN 5.50 (# 1829:15 Single Ambig)
&rst
ixpk= 1829, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1703,1704,1739,1740,
&end
#
# 112 ILE QG2 113 GLY HN 3.50 (# 1830:15 Unique 3.02, 3.95 A)
&rst
ixpk= 1830, nxpk= 15, iat= -1,1712, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1699,1700,1701,
&end
#
# 110 SER HA 113 GLY HN 4.50 (# 1831:15 Unique 3.26, 3.37 A)
&rst
ixpk= 1831, nxpk= 15, iat=1667,1712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 ILE HA 113 GLY HN 4.50 (# 1832:15 Unique 3.63, 3.64 A)
&rst
ixpk= 1832, nxpk= 15, iat=1695,1712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 ALA HA 17 SER HN 5.50 (# 1834:15 Unique 4.28, 4.44 A)
&rst
ixpk= 1834, nxpk= 15, iat= 274, 261, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1836 0 AMB 15-1:1836 3.50 (# 1836:15 Double Ambig)
&rst
ixpk= 1836, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 265, 266,1969,1986,
igr2= 261,2022,
&end
#
# 18 ALA HN 17 SER HN 5.50 (# 1837:15 Unique 4.14, 4.25 A)
&rst
ixpk= 1837, nxpk= 15, iat= 272, 261, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 HIS HN 17 SER HN 3.50 (# 1838:15 Unique 2.50, 2.62 A)
&rst
ixpk= 1838, nxpk= 15, iat= 244, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HA 17 SER HN 3.50 (# 1839:15 Unique 2.81, 2.87 A)
&rst
ixpk= 1839, nxpk= 15, iat= 263, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 SER HB- 17 SER HN 4.50 (# 1840:15 Unique 3.03, 3.71 A)
&rst
ixpk= 1840, nxpk= 15, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 265, 266,
&end
#
# 16 HIS HB+ 17 SER HN 3.50 (# 1841:15 Unique 2.45, 3.42 A)
&rst
ixpk= 1841, nxpk= 15, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 248, 249,
&end
#
# 15 ILE QG2 17 SER HN 2.80 (# 1842:15 Unique 1.88, 2.79 A)
&rst
ixpk= 1842, nxpk= 15, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 231, 232, 233,
&end
#
# 132 LEU HA 133 THR HN 4.50 (# 1844:15 Unique 3.38, 3.43 A)
&rst
ixpk= 1844, nxpk= 15, iat=2005,2022, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 132 LEU HN 133 THR HN 3.50 (# 1845:15 Unique 2.90, 2.98 A)
&rst
ixpk= 1845, nxpk= 15, iat=2003,2022, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ALA HN 133 THR HN 2.80 (# 1846:15 Unique 2.05, 2.20 A)
&rst
ixpk= 1846, nxpk= 15, iat=2036,2022, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 15-2:1847 133 THR HN 2.80 (# 1847:15 Single Ambig)
&rst
ixpk= 1847, nxpk= 15, iat= -1,2022, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2024,2026,
&end
#
# 132 LEU HB- 133 THR HN 4.50 (# 1848:15 Unique 3.18, 3.78 A)
&rst
ixpk= 1848, nxpk= 15, iat= -1,2022, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2007,2008,
&end
#
# 0 AMB 15-2:1849 0 AMB 15-1:1849 3.50 (# 1849:15 Double Ambig)
&rst
ixpk= 1849, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2040,2041,2042, 229,1289,1290,
igr2=2022, 261,
&end
#
# 133 THR MG2 133 THR HN 3.50 (# 1850:15 Unique 2.76, 3.78 A)
&rst
ixpk= 1850, nxpk= 15, iat= -1,2022, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2028,2029,2030,
&end
#
# 0 AMB 15-2:1852 0 AMB 15-1:1852 4.50 (# 1852:15 Double Ambig)
&rst
ixpk= 1852, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1526,1527,1528,1530,1531,1532,1349,1350,1351,1353,
1354,1355,2012,2013,2014,2016,2017,2018,2012,2013,
2014,2016,2017,2018,
igr2=2022, 261,
&end
#
# 74 ALA HN 73 GLY HN 2.80 (# 1864:15 Unique 1.89, 1.95 A)
&rst
ixpk= 1864, nxpk= 15, iat=1133,1126, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 TYR HD 73 GLY HN 3.50 (# 1865:15 Unique 2.81, 5.14 A)
&rst
ixpk= 1865, nxpk= 15, iat= -1,1126, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 662, 671,
&end
#
# 70 PRO HA 73 GLY HN 4.50 (# 1867:15 Unique 4.28, 4.40 A)
&rst
ixpk= 1867, nxpk= 15, iat=1096,1126, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 CYS HA 73 GLY HN 3.50 (# 1868:15 Unique 3.34, 3.38 A)
&rst
ixpk= 1868, nxpk= 15, iat=1117,1126, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ALA MB 73 GLY HN 4.50 (# 1870:15 Unique 4.20, 4.73 A)
&rst
ixpk= 1870, nxpk= 15, iat= -1,1126, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1137,1138,1139,
&end
#
# 0 AMB 15-2:1871 73 GLY HN 3.50 (# 1871:15 Single Ambig)
&rst
ixpk= 1871, nxpk= 15, iat= -1,1126, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1119,1120, 658, 659,
&end
#
# 0 AMB 15-2:1889 71 GLU HN 5.50 (# 1889:15 Single Ambig)
&rst
ixpk= 1889, nxpk= 15, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1119,1120,1680,1681,
&end
#
# 88 VAL MGX 19 LYS HN 5.50 (# 1890:15 Unique 4.37, 6.22 A)
&rst
ixpk= 1890, nxpk= 15, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1349,1350,1351,1353,1354,1355,
&end
#
# 20 ASP HA 19 LYS HN 5.50 (# 1891:15 Unique 4.97, 5.25 A)
&rst
ixpk= 1891, nxpk= 15, iat= 306, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1892 19 LYS HN 5.50 (# 1892:15 Single Ambig)
&rst
ixpk= 1892, nxpk= 15, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 357, 382,
&end
#
# 100 LEU HA 101 ILE HN 2.80 (# 1893:15 Unique 2.14, 2.23 A)
&rst
ixpk= 1893, nxpk= 15, iat=1538,1555, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 LEU MDY 78 GLY HN 5.50 (# 1894:15 Unique 4.14, 5.32 A)
&rst
ixpk= 1894, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 103 LEU MDX 78 GLY HN 5.50 (# 1895:15 Unique 3.26, 5.75 A)
&rst
ixpk= 1895, nxpk= 15, iat= -1,1198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 99 LEU HA 100 LEU HN 2.80 (# 1896:15 Unique 2.00, 2.10 A)
&rst
ixpk= 1896, nxpk= 15, iat=1519,1536, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 2 ARG HD+ 3 LEU HN 5.50 (# 1898:15 Unique 4.30, 5.53 A)
&rst
ixpk= 1898, nxpk= 15, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 31, 32,
&end
#
# 1 MET HG+ 5 ASP HN 5.50 (# 1899:15 Unique 3.78, 5.39 A)
&rst
ixpk= 1899, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 11, 12,
&end
#
# 117 ALA MB 5 ASP HN 5.50 (# 1900:15 Unique 5.55, 6.69 A)
&rst
ixpk= 1900, nxpk= 15, iat= -1, 75, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1769,1770,1771,
&end
#
# 0 AMB 15-2:1901 4 SER HN 5.50 (# 1901:15 Single Ambig)
&rst
ixpk= 1901, nxpk= 15, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2236,2201,
&end
#
# 3 LEU HN 5 ASP HN 5.50 (# 1902:15 Unique 4.24, 4.38 A)
&rst
ixpk= 1902, nxpk= 15, iat= 45, 75, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 SER HN 6 TYR HN 5.50 (# 1905:15 Unique 4.33, 4.52 A)
&rst
ixpk= 1905, nxpk= 15, iat= 64, 87, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 GLU HB+ 9 GLU HN 2.80 (# 1906:15 Unique 2.10, 2.64 A)
&rst
ixpk= 1906, nxpk= 15, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 146, 147,
&end
#
# 6 TYR HB+ 6 TYR HN 2.80 (# 1908:15 Unique 2.34, 3.03 A)
&rst
ixpk= 1908, nxpk= 15, iat= -1, 87, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 91, 92,
&end
#
# 11 SER HB- 12 ILE HN 5.50 (# 1909:15 Unique 3.47, 4.25 A)
&rst
ixpk= 1909, nxpk= 15, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 172, 173,
&end
#
# 0 AMB 15-2:1910 12 ILE HN 5.50 (# 1910:15 Single Ambig)
&rst
ixpk= 1910, nxpk= 15, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 161, 162, 144,
&end
#
# 0 AMB 15-2:1912 13 SER HN 3.50 (# 1912:15 Single Ambig)
&rst
ixpk= 1912, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
220, 221,
&end
#
# 81 LEU HB+ 13 SER HN 5.50 (# 1913:15 Unique 3.70, 4.73 A)
&rst
ixpk= 1913, nxpk= 15, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1237,1238,
&end
#
# 85 GLU HB+ 16 HIS HN 5.50 (# 1914:15 Unique 4.79, 5.86 A)
&rst
ixpk= 1914, nxpk= 15, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1308,1309,
&end
#
# 15 ILE QD1 16 HIS HN 5.50 (# 1915:15 Unique 4.13, 5.76 A)
&rst
ixpk= 1915, nxpk= 15, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 238, 239, 240,
&end
#
# 15 ILE QD1 17 SER HN 5.50 (# 1916:15 Unique 4.89, 5.75 A)
&rst
ixpk= 1916, nxpk= 15, iat= -1, 261, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 238, 239, 240,
&end
#
# 0 AMB 15-2:1917 18 ALA HN 5.50 (# 1917:15 Single Ambig)
&rst
ixpk= 1917, nxpk= 15, iat= -1, 272, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 364, 365, 286, 287,
&end
#
# 0 AMB 15-2:1918 20 ASP HN 3.50 (# 1918:15 Single Ambig)
&rst
ixpk= 1918, nxpk= 15, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 286, 287, 364, 365,
&end
#
# 20 ASP HB+ 23 GLU HN 5.50 (# 1919:15 Unique 1.94, 3.65 A)
&rst
ixpk= 1919, nxpk= 15, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 308, 309,
&end
#
# 25 ILE HB 24 ALA HN 5.50 (# 1920:15 Unique 4.96, 5.08 A)
&rst
ixpk= 1920, nxpk= 15, iat= 386, 372, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1923 26 ASP HN 5.50 (# 1923:15 Single Ambig)
&rst
ixpk= 1923, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 415, 435,
&end
#
# 27 PHE HB+ 26 ASP HN 5.50 (# 1924:15 Unique 4.67, 5.51 A)
&rst
ixpk= 1924, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 417, 418,
&end
#
# 25 ILE QG2 26 ASP HN 3.50 (# 1925:15 Unique 3.51, 4.40 A)
&rst
ixpk= 1925, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 388, 389, 390,
&end
#
# 24 ALA MB 26 ASP HN 5.50 (# 1927:15 Unique 5.07, 5.64 A)
&rst
ixpk= 1927, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 376, 377, 378,
&end
#
# 47 LYS HE- 26 ASP HN 5.50 (# 1928:15 Unique 2.90, 3.38 A)
&rst
ixpk= 1928, nxpk= 15, iat= -1, 401, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 753, 754,
&end
#
# 23 GLU HA 27 PHE HN 4.50 (# 1929:15 Unique 3.76, 3.89 A)
&rst
ixpk= 1929, nxpk= 15, iat= 359, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ASP HA 28 SER HN 5.50 (# 1930:15 Unique 3.98, 4.23 A)
&rst
ixpk= 1930, nxpk= 15, iat= 403, 433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 LEU MDY 31 SER HN 5.50 (# 1936:15 Unique 5.49, 6.65 A)
&rst
ixpk= 1936, nxpk= 15, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 497, 498, 499, 501, 502, 503,
&end
#
# 0 AMB 15-2:1937 32 LEU HN 5.50 (# 1937:15 Single Ambig)
&rst
ixpk= 1937, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 605, 606, 601, 602, 603,
&end
#
# 31 SER HN 33 LEU HN 5.50 (# 1938:15 Unique 4.06, 4.23 A)
&rst
ixpk= 1938, nxpk= 15, iat= 477, 507, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1939 33 LEU HN 4.50 (# 1939:15 Single Ambig)
&rst
ixpk= 1939, nxpk= 15, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 516, 517, 518, 520, 521, 522, 548, 549, 545, 546,
&end
#
# 36 ASN HB- 36 ASN HN 3.50 (# 1940:15 Unique 2.86, 3.43 A)
&rst
ixpk= 1940, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 564, 565,
&end
#
# 34 ASP HB+ 36 ASN HN 5.50 (# 1941:15 Unique 4.83, 5.21 A)
&rst
ixpk= 1941, nxpk= 15, iat= -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 530, 531,
&end
#
# 35 LYS HB+ 37 TYR HN 5.50 (# 1942:15 Unique 3.42, 4.27 A)
&rst
ixpk= 1942, nxpk= 15, iat= -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 542, 543,
&end
#
# 42 TYR HB- 39 SER HN 4.50 (# 1943:15 Unique 2.61, 2.98 A)
&rst
ixpk= 1943, nxpk= 15, iat= -1, 614, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 658, 659,
&end
#
# 43 ILE HG1- 44 GLN HN 5.50 (# 1945:15 Unique 4.09, 4.62 A)
&rst
ixpk= 1945, nxpk= 15, iat= -1, 694, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 685, 686,
&end
#
# 46 ILE HN 48 ASP HN 5.50 (# 1946:15 Unique 3.70, 4.02 A)
&rst
ixpk= 1946, nxpk= 15, iat= 721, 762, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 GLN HE2- 48 ASP HN 5.50 (# 1947:15 Unique 3.41, 4.49 A)
&rst
ixpk= 1947, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 706, 707,
&end
#
# 44 GLN HG+ 48 ASP HN 5.50 (# 1948:15 Unique 3.83, 5.10 A)
&rst
ixpk= 1948, nxpk= 15, iat= -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 701, 702,
&end
#
# 76 LYS HN 77 THR HN 5.50 (# 1949:15 Unique 4.36, 4.39 A)
&rst
ixpk= 1949, nxpk= 15, iat=1162,1184, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 TYR HA 65 MET HN 5.50 (# 1950:15 Unique 4.47, 4.90 A)
&rst
ixpk= 1950, nxpk= 15, iat= 890,1004, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1951 68 ALA HN 5.50 (# 1951:15 Single Ambig)
&rst
ixpk= 1951, nxpk= 15, iat= -1,1052, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1585,1586, 715, 716, 717,
&end
#
# 74 ALA HN 72 CYS HN 3.50 (# 1952:15 Unique 3.58, 3.59 A)
&rst
ixpk= 1952, nxpk= 15, iat=1133,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 ALA MB 72 CYS HN 5.50 (# 1953:15 Unique 5.76, 6.11 A)
&rst
ixpk= 1953, nxpk= 15, iat= -1,1115, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 715, 716, 717,
&end
#
# 0 AMB 15-2:1955 79 MET HN 5.50 (# 1955:15 Single Ambig)
&rst
ixpk= 1955, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1588, 492, 493,
&end
#
# 79 MET HB- 79 MET HN 3.50 (# 1956:15 Unique 2.64, 3.31 A)
&rst
ixpk= 1956, nxpk= 15, iat= -1,1205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1209,1210,
&end
#
# 0 AMB 15-2:1957 86 GLN HN 5.50 (# 1957:15 Single Ambig)
&rst
ixpk= 1957, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 272,1285,
&end
#
# 93 ASN HA 92 GLY HN 5.50 (# 1959:15 Unique 4.48, 5.00 A)
&rst
ixpk= 1959, nxpk= 15, iat=1423,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 ILE HN 102 GLY HN 5.50 (# 1960:15 Unique 4.07, 4.29 A)
&rst
ixpk= 1960, nxpk= 15, iat=1555,1574, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 LEU MDY 105 ALA HN 5.50 (# 1962:15 Unique 3.91, 5.86 A)
&rst
ixpk= 1962, nxpk= 15, iat= -1,1611, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1590,1591,1592,1594,1595,1596,
&end
#
# 112 ILE HN 110 SER HN 5.50 (# 1963:15 Unique 4.07, 4.12 A)
&rst
ixpk= 1963, nxpk= 15, iat=1693,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 HIS HB+ 110 SER HN 5.50 (# 1964:15 Unique 4.26, 4.94 A)
&rst
ixpk= 1964, nxpk= 15, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1680,1681,
&end
#
# 112 ILE HB 114 ALA HN 5.50 (# 1965:15 Unique 4.88, 5.08 A)
&rst
ixpk= 1965, nxpk= 15, iat=1697,1719, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 115 ILE QG2 114 ALA HN 5.50 (# 1966:15 Unique 6.20, 6.72 A)
&rst
ixpk= 1966, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1735,1736,1737,
&end
#
# 116 GLN HB+ 117 ALA HN 3.50 (# 1967:15 Unique 3.43, 3.87 A)
&rst
ixpk= 1967, nxpk= 15, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1752,1753,
&end
#
# 120 GLU HG+ 119 SER HN 5.50 (# 1968:15 Unique 4.32, 5.12 A)
&rst
ixpk= 1968, nxpk= 15, iat= -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1812,1813,
&end
#
# 119 SER HN 121 LEU HN 5.50 (# 1969:15 Unique 4.02, 4.12 A)
&rst
ixpk= 1969, nxpk= 15, iat=1794,1820, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 GLU HG+ 121 LEU HN 5.50 (# 1970:15 Unique 4.32, 4.79 A)
&rst
ixpk= 1970, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1812,1813,
&end
#
# 121 LEU HB- 121 LEU HN 2.80 (# 1971:15 Unique 2.54, 3.18 A)
&rst
ixpk= 1971, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1824,1825,
&end
#
# 0 AMB 15-2:1972 121 LEU HN 5.50 (# 1972:15 Single Ambig)
&rst
ixpk= 1972, nxpk= 15, iat= -1,1820, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 52,1565,1566,
&end
#
# 124 GLU HA 127 ILE HN 5.50 (# 1974:15 Unique 4.33, 4.43 A)
&rst
ixpk= 1974, nxpk= 15, iat=1871,1914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 LEU HB- 128 LEU HN 5.50 (# 1975:15 Unique 5.30, 6.32 A)
&rst
ixpk= 1975, nxpk= 15, iat= -1,1933, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1988,1989,
&end
#
# 0 AMB 15-2:1976 140 LEU HN 3.50 (# 1976:15 Single Ambig)
&rst
ixpk= 1976, nxpk= 15, iat= -1,2122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
&end
#
# 0 AMB 15-2:1977 143 ILE HN 5.50 (# 1977:15 Single Ambig)
&rst
ixpk= 1977, nxpk= 15, iat= -1,2163, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 192, 193, 194,2188,2189,2190,
&end
#
# 141 ALA MB 145 SER HN 5.50 (# 1978:15 Unique 4.82, 5.56 A)
&rst
ixpk= 1978, nxpk= 15, iat= -1,2201, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2145,2146,2147,
&end
#
# 21 TRP HE1 21 TRP HN 5.50 (# 1980:15 Unique 3.81, 3.99 A)
&rst
ixpk= 1980, nxpk= 15, iat= 326, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 LYS HN 23 GLU HN 5.50 (# 1981:15 Unique 4.95, 5.14 A)
&rst
ixpk= 1981, nxpk= 15, iat= 282, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1982 32 LEU HN 5.50 (# 1982:15 Single Ambig)
&rst
ixpk= 1982, nxpk= 15, iat= -1, 488, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 514, 516, 517, 518, 520, 521, 522,
&end
#
# 122 LEU HN 124 GLU HN 5.50 (# 1983:15 Unique 4.46, 4.60 A)
&rst
ixpk= 1983, nxpk= 15, iat=1839,1869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 15-2:1984 130 GLN HN 2.80 (# 1984:15 Single Ambig)
&rst
ixpk= 1984, nxpk= 15, iat= -1,1967, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1971,1972,1974,1975,
&end
#
# 129 GLU HN 131 LEU HN 4.50 (# 1985:15 Unique 4.12, 4.21 A)
&rst
ixpk= 1985, nxpk= 15, iat=1952,1984, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 127 ILE HN 126 GLU HN 3.50 (# 1986:15 Unique 2.56, 2.62 A)
&rst
ixpk= 1986, nxpk= 15, iat=1914,1899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 ILE HN 129 GLU HN 4.50 (# 1987:15 Unique 4.25, 4.33 A)
&rst
ixpk= 1987, nxpk= 15, iat=1914,1952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:1991 25 ILE HN 5.50 (# 1991:15 Single Ambig)
&rst
ixpk= 1991, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 405, 406, 451, 452,
&end
#
# 0 AMB 15-2:1995 124 GLU HN 5.50 (# 1995:15 Single Ambig)
&rst
ixpk= 1995, nxpk= 15, iat= -1,1869, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
1947,1948,
&end
#
# 114 ALA HA 118 LEU HN 5.50 (# 2003:15 Unique 4.14, 4.22 A)
&rst
ixpk= 2003, nxpk= 15, iat=1721,1775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 SER HN 117 ALA HN 5.50 (# 2004:15 Unique 3.33, 3.50 A)
&rst
ixpk= 2004, nxpk= 15, iat=1794,1765, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 GLN HA 117 ALA HN 3.50 (# 2006:15 Unique 3.28, 3.40 A)
&rst
ixpk= 2006, nxpk= 15, iat=1750,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 GLN HG- 117 ALA HN 4.50 (# 2007:15 Unique 4.78, 5.19 A)
&rst
ixpk= 2007, nxpk= 15, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1755,1756,
&end
#
# 118 LEU HG 117 ALA HN 4.50 (# 2008:15 Unique 3.62, 3.67 A)
&rst
ixpk= 2008, nxpk= 15, iat=1782,1765, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 ILE QG2 117 ALA HN 5.50 (# 2009:15 Unique 4.79, 5.48 A)
&rst
ixpk= 2009, nxpk= 15, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1735,1736,1737,
&end
#
# 103 LEU HB+ 115 ILE HN 5.50 (# 2010:15 Unique 5.84, 6.04 A)
&rst
ixpk= 2010, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1585,1586,
&end
#
# 118 LEU HB+ 115 ILE HN 5.50 (# 2011:15 Unique 5.05, 6.48 A)
&rst
ixpk= 2011, nxpk= 15, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1779,1780,
&end
#
# 110 SER HB+ 114 ALA HN 5.50 (# 2013:15 Unique 4.91, 5.42 A)
&rst
ixpk= 2013, nxpk= 15, iat= -1,1719, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1669,1670,
&end
#
# 74 ALA HA 105 ALA HN 5.50 (# 2023:15 Unique 4.32, 4.55 A)
&rst
ixpk= 2023, nxpk= 15, iat=1135,1611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 VAL HN 89 TYR HN 4.50 (# 2028:15 Unique 1.56, 2.71 A)
&rst
ixpk= 2028, nxpk= 15, iat=1343,1359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 15-2:2032 0 AMB 15-1:2032 3.50 (# 2032:15 Double Ambig)
&rst
ixpk= 2032, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1152,1153,1154,1156,1157,1158, 685, 686,
igr2=1143, 507,
&end
#
# 15 ILE HG1+ 16 HIS HN 5.50 (# 2033:15 Unique 3.63, 4.58 A)
&rst
ixpk= 2033, nxpk= 15, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 235, 236,
&end
#
# 0 AMB 15-2:2041 117 ALA HN 5.50 (# 2041:15 Single Ambig)
&rst
ixpk= 2041, nxpk= 15, iat= -1,1765, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1739,1740, 52,
&end
#
# 124 GLU HG+ 127 ILE HN 5.50 (# 2043:15 Unique 2.56, 4.50 A)
&rst
ixpk= 2043, nxpk= 15, iat= -1,1914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1876,1877,
&end
#
# 0 AMB 15-2:2047 118 LEU HN 4.50 (# 2047:15 Single Ambig)
&rst
ixpk= 2047, nxpk= 15, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1735,1736,1737,1846,
&end
#
# 0 AMB 15-2:2048 76 LYS HN 3.50 (# 2048:15 Single Ambig)
&rst
ixpk= 2048, nxpk= 15, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1169,1170,1137,1138,1139,
&end
#
# 35 LYS HN 37 TYR HN 5.50 (# 2050:15 Unique 3.19, 3.36 A)
&rst
ixpk= 2050, nxpk= 15, iat= 538, 574, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU MDX 38 ILE HN 4.50 (# 2051:15 Unique 3.31, 5.69 A)
&rst
ixpk= 2051, nxpk= 15, iat= -1, 595, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1152,1153,1154,1156,1157,1158,
&end
#
# 72 CYS HN 73 GLY HN 3.50 (# 2052:15 Unique 2.49, 2.55 A)
&rst
ixpk= 2052, nxpk= 15, iat=1115,1126, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 GLN HB+ 130 GLN HN 2.80 (# 2053:15 Unique 2.21, 2.89 A)
&rst
ixpk= 2053, nxpk= 15, iat= -1,1967, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1971,1972,
&end
#
# 53 ASN HD2+ 53 ASN HN 5.50 (# 2056:15 Unique 2.94, 4.24 A)
&rst
ixpk= 2056, nxpk= 15, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 841, 842,
&end
#
# 76 LYS HN 75 LEU HN 2.80 (# 2058:15 Unique 1.85, 1.88 A)
&rst
ixpk= 2058, nxpk= 15, iat=1162,1143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 LEU HB+ 99 LEU HN 2.80 (# 2059:15 Unique 2.31, 2.85 A)
&rst
ixpk= 2059, nxpk= 15, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1521,1522,
&end
#
# 96 PRO HD- 95 GLU HN 4.50 (# 2060:15 Unique 4.25, 4.85 A)
&rst
ixpk= 2060, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1463,1464,
&end
#
# 96 PRO HD+ 95 GLU HN 5.50 (# 2061:15 Unique 4.25, 4.85 A)
&rst
ixpk= 2061, nxpk= 15, iat= -1,1447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1463,1464,
&end
#
# 49 SER HA 52 ASN HD2+ 4.50 (# 2062:15 Unique 2.81, 3.80 A)
&rst
ixpk= 2062, nxpk= 15, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 827, 828,
&end
#
# 49 SER HA 52 ASN HD2- 5.50 (# 2063:15 Unique 2.81, 3.80 A)
&rst
ixpk= 2063, nxpk= 15, iat= 776, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 827, 828,
&end
#
# 25 ILE HG1- 25 ILE HN 4.50 (# 2064:15 Unique 2.20, 2.57 A)
&rst
ixpk= 2064, nxpk= 15, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 392, 393,
&end
#
# 69 ARG HB- 69 ARG HN 2.80 (# 2067:15 Unique 2.20, 2.97 A)
&rst
ixpk= 2067, nxpk= 15, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1066,1067,
&end
#
# 86 GLN HB- 86 GLN HN 2.80 (# 2071:15 Unique 2.43, 3.27 A)
&rst
ixpk= 2071, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1323,1324,
&end
#
# 0 AMB 15-2:2072 86 GLN HN 3.50 (# 2072:15 Single Ambig)
&rst
ixpk= 2072, nxpk= 15, iat= -1,1319, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1289,1290,1505,1506,
&end
#
# 85 GLU HA 86 GLN HN 3.50 (# 2074:15 Unique 3.43, 3.49 A)
&rst
ixpk= 2074, nxpk= 15, iat=1306,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ILE QG2 137 GLU HN 5.50 (# 2077:15 Unique 4.72, 5.59 A)
&rst
ixpk= 2077, nxpk= 15, iat= -1,2068, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 185, 186, 187,
&end
#
# 73 GLY HA- 74 ALA HN 4.50 (# 208:15 Unique 2.48, 3.32 A)
&rst
ixpk= 208, nxpk= 15, iat= -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1128,1129,
&end
#
# 0 AMB 15-2:1344 0 AMB 15-1:1344 3.50 (# 1344:15 Double Ambig)
&rst
ixpk= 1344, nxpk= 15, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1128,1129, 801,
igr2= 614, 832,
&end
#
# 73 GLY HA- 73 GLY HN 3.50 (# 1869:15 Unique 2.44, 2.77 A)
&rst
ixpk= 1869, nxpk= 15, iat= -1,1126, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1128,1129,
&end
#
# 32 LEU HN 33 LEU HN 3.50 (# 244:15 Double Ambig )
&rst
ixpk= 244, nxpk= 15, iat= 488, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 LEU HG 87 GLY HN 4.50 (# 1723:15 Single Ambig)
&rst
ixpk= 1723, nxpk= 15, iat=1292,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 LYS HB- 87 GLY HN 4.50 (# 2076:15 Unique 2.37, 4.49 A)
&rst
ixpk= 2076, nxpk= 15, iat= -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1499,1500,
&end
#
# 46 ILE HA 46 ILE HN 3.50 (# 925:15 Unique 2.77, 2.85 A)
&rst
ixpk= 925, nxpk= 15, iat= 723, 721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
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